A0A087XUV4_POEFO Loading...

D-3-phosphoglycerate dehydrogenase

AlphaFold DB , UniProt , Accession A0A087XUV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 538 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
1P28.2Very low63.6Low164 Ų16483.8 Ų83.8100%1.06547%0.473SS*.  0128.5018.43.1000110.6K3P1-K3 PolarHBondContact O-N 2.97Å; P1-K3 VanDerWaalsContact O-N 3.12Å
2P31.8Very low66.5Low121 Ų12176.8 Ų76.879%0.78643%0.433SS*.  trans-61.1123.4173.628.1-30.2000106.9M4P2-M4 PolarHBondContact O-N 3.3Å
3K41.3Very low68.9Low154 Ų15470.9 Ų70.967%0.6740%0.4SS*.  trans-59.7101.1174.9-71.3175.7173179.60106.6P1 A5 N311P1-K3 PolarHBondContact O-N 2.97Å; P1-K3 VanDerWaalsContact O-N 3.12Å; K3-A5 PolarHBondContact O-N 3.41Å; K3-N311 WeakPolarHBondContact CD-OD1 3.49Å; K3-N311 PolarHBondContact NZ-OD1 3.08Å
4M48.2Very low70.9Confident139 Ų13965.9 Ų65.969%0.68537%0.371SS*.  trans-72.385.2173.6-80.2-179.759.500107.4P2 P6P2-M4 PolarHBondContact O-N 3.3Å; M4-P6 WeakPolarHBondContact O-CD 3.42Å
5A50.4Low72.5Confident38 Ų3861.5 Ų61.531%0.31435%0.347SS..  trans-62.1120.7169.500000107.9K3 I7 V310K3-A5 PolarHBondContact O-N 3.41Å; A5-I7 PolarHBondContact O-N 3.19Å; A5-I7 VanDerWaalsContact O-N 3.15Å; A5-V310 WeakPolarHBondContact CA-O 3.44Å; A5-V310 HydrophobicContact CB-CG1 4.45Å; A5-V310 WeakPolarHBondContact CB-O 3.35Å
6P59Low73.6Confident53 Ų5358.9 Ų58.934%0.34433%0.331SS..SBendtrans-62.8-20.3176.522.8-30.2000112M4 F328M4-P6 WeakPolarHBondContact O-CD 3.42Å; P6-F328 HydrophobicContact CG-CD1 3.94Å; P6-F328 HydrophobicContact CG-CE1 3.64Å
7I73.9Confident74.6Confident35 Ų3559.7 Ų59.718%0.17934%0.341CS..SBendtrans-141.6127.4179.3-59.1177.6000108.9A5 I9 K74 I97 M309 L324A5-I7 PolarHBondContact O-N 3.19Å; A5-I7 VanDerWaalsContact O-N 3.15Å; I7-I9 HydrophobicContact CG2-CD1 3.82Å; I7-I9 HydrophobicContact CG2-CG1 4.32Å; I7-K74 HydrophobicContact CG2-CB 3.88Å; I7-K74 HydrophobicContact CG2-CD 3.61Å; I7-K74 HydrophobicContact CG2-CG 4.36Å; I7-I97 HydrophobicContact CD1-CD1 3.23Å; I7-I97 HydrophobicContact CD1-CG1 4.4Å; I7-M309 HydrophobicContact CD1-SD 4.31Å; I7-M309 HydrophobicContact CG2-CE 4.5Å; I7-L324 HydrophobicContact CD1-CD1 4.3Å
8C83.3Confident75.4Confident65 Ų6557.1 Ų57.144%0.43933%0.327SS..  trans-92.2115.2178.1-168.40000111K10 K74C8-K10 WeakPolarHBondContact SG-CE 3.5Å; C8-K74 WeakPolarHBondContact O-CD 3.44Å; C8-K74 PolarHBondContact O-NZ 3.14Å
9I92Very high76.3Confident6 Ų656.4 Ų56.43%0.03132%0.322CS..  trans-114.1116.8173-51.8-59.7000107.6I7 V12 I31 D52 K74 I75 I306 M309 V310I7-I9 HydrophobicContact CG2-CD1 3.82Å; I7-I9 HydrophobicContact CG2-CG1 4.32Å; I9-V12 HydrophobicContact CG2-CG2 3.77Å; I9-I31 HydrophobicContact CG2-CD1 4.49Å; I9-I31 HydrophobicContact CG2-CG2 4.28Å; I9-D52 HydrophobicContact CB-CB 4.36Å; I9-D52 HydrophobicContact CD1-CB 3.98Å; I9-D52 HydrophobicContact CG2-CB 3.95Å; I9-K74 HydrophobicContact CD1-CB 3.73Å; I9-K74 HydrophobicContact CD1-CD 4.16Å; I9-K74 HydrophobicContact CD1-CG 4.25Å; I9-I75 HydrophobicContact CD1-CG2 3.73Å; I9-I75 HydrophobicContact CG1-CG2 4.23Å; I9-I306 HydrophobicContact CG2-CG2 4.42Å; I9-M309 HydrophobicContact CD1-CE 4.4Å; I9-M309 HydrophobicContact CG1-CE 3.96Å; I9-V310 HydrophobicContact CB-CG2 3.74Å; I9-V310 HydrophobicContact CG1-CG2 3.74Å
10K94.4Very high77.2Confident121 Ų12158.4 Ų58.453%0.52634%0.337SS..  trans-115.9-22.9179.1-61.4-177-177.2176.60112.7C8 R32 D52C8-K10 WeakPolarHBondContact SG-CE 3.5Å; K10-R32 PolarHBondContact O-N 2.88Å; K10-D52 WeakPolarHBondContact CA-OD2 3.38Å; K10-D52 WeakPolarHBondContact CB-OD2 3.35Å; K10-D52 PolarHBondContact N-OD2 3.07Å
11T97.3Very high77.9Confident26 Ų2661.8 Ų61.816%0.1634%0.344CS..EExtended strand (participates in β ladder)trans-135.2133.1-175.654.90000110.6R32 D50 Y51 D52 G53T11-R32 CarbonylContact C-O 3.53Å; T11-R32 VanDerWaalsContact CA-O 3.29Å; T11-R32 WeakPolarHBondContact CA-O 3.37Å; T11-R32 HydrophobicContact CG2-CB 4.38Å; T11-D50 PolarHBondContact OG1-O 2.79Å; T11-Y51 WeakPolarHBondContact OG1-CA 3.42Å; T11-D52 PolarHBondContact N-OD2 3.03Å; T11-D52 WeakPolarHBondContact O-CB 3.33Å; T11-D52 PolarHBondContact O-N 3.05Å; T11-D52 VanDerWaalsContact O-N 3.09Å; T11-D52 PolarHBondContact OG1-N 3.22Å; T11-D52 VanDerWaalsContact OG1-N 3.08Å; T11-D52 PolarHBondContact OG1-OD2 3.44Å; T11-G53 PolarHBondContact O-N 3.09Å
12V98.1Very high81.2Confident0 Ų054 Ų540%029%0.294CS..EExtended strand (participates in β ladder)trans-131130.2177.7170.90000109.9I9 I14 L26 I31 R32 V33 T34 G53 V55I9-V12 HydrophobicContact CG2-CG2 3.77Å; V12-I14 HydrophobicContact CG1-CG1 4.34Å; V12-L26 HydrophobicContact CB-CD1 4.42Å; V12-L26 HydrophobicContact CG1-CD1 4.1Å; V12-I31 HydrophobicContact CB-CG2 4.11Å; V12-I31 HydrophobicContact CG2-CG2 3.54Å; V12-R32 PolarHBondContact N-O 3.37Å; V12-V33 WeakPolarHBondContact O-CA 3.41Å; V12-T34 PolarHBondContact O-N 3.01Å; V12-G53 WeakPolarHBondContact CA-O 3.32Å; V12-V55 HydrophobicContact CG1-CG2 3.78Å
13L97.9Very high84.3Confident0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-92.8124.2168.1178.661.9000109.2T34 K36 M39 L44 E47 I48 Y51 G53 L54 V55L13-T34 CarbonylContact C-O 3.59Å; L13-T34 WeakPolarHBondContact CA-O 3.48Å; L13-T34 HydrophobicContact CD1-CG2 4.29Å; L13-K36 HydrophobicContact CD1-CB 4.25Å; L13-M39 HydrophobicContact CD1-CE 4.41Å; L13-M39 HydrophobicContact CD2-CE 4.09Å; L13-L44 HydrophobicContact CD2-CD1 3.93Å; L13-E47 HydrophobicContact CD1-CG 4.32Å; L13-E47 HydrophobicContact CD2-CG 3.85Å; L13-I48 HydrophobicContact CB-CD1 4.46Å; L13-I48 HydrophobicContact CD2-CD1 3.86Å; L13-Y51 HydrophobicContact CB-CD1 3.72Å; L13-Y51 HydrophobicContact CB-CD2 3.98Å; L13-Y51 HydrophobicContact CB-CE1 3.9Å; L13-Y51 HydrophobicContact CB-CE2 4.15Å; L13-Y51 HydrophobicContact CB-CG 3.74Å; L13-Y51 HydrophobicContact CD1-CE1 4.5Å; L13-Y51 HydrophobicContact CD1-CE2 4.38Å; L13-Y51 HydrophobicContact CD2-CD2 4.26Å; L13-Y51 HydrophobicContact CD2-CE2 4.21Å; L13-Y51 HydrophobicContact CG-CE2 4.49Å; L13-G53 PolarHBondContact N-O 2.68Å; L13-L54 HydrophobicContact CB-CD1 4.24Å; L13-L54 HydrophobicContact CD2-CD1 4.16Å; L13-L54 HydrophobicContact CG-CD1 4.17Å; L13-L54 CarbonylContact O-C 3.57Å; L13-L54 WeakPolarHBondContact O-CA 3.32Å; L13-V55 PolarHBondContact O-N 3.44Å
14I97.5Very high87Confident0 Ų047 Ų470%026%0.255CS..EExtended strand (participates in β ladder)trans-100.1111.3167.1-54.7-178000107.3V12 E16 V18 R23 V33 T34 E35 K36 V55V12-I14 HydrophobicContact CG1-CG1 4.34Å; I14-E16 WeakPolarHBondContact CG2-O 3.48Å; I14-V18 HydrophobicContact CG2-CB 4.13Å; I14-V18 HydrophobicContact CG2-CG2 3.72Å; I14-R23 HydrophobicContact CD1-CB 4.34Å; I14-V33 HydrophobicContact CD1-CG1 3.54Å; I14-V33 HydrophobicContact CG1-CG1 3.8Å; I14-T34 PolarHBondContact N-O 3.37Å; I14-E35 HydrophobicContact CB-CG 4.03Å; I14-E35 HydrophobicContact CD1-CG 4.23Å; I14-E35 HydrophobicContact CG1-CG 4.49Å; I14-E35 WeakPolarHBondContact O-CA 3.45Å; I14-K36 PolarHBondContact O-N 2.94Å; I14-V55 HydrophobicContact CG1-CB 4.1Å
15S94.1Very high89.3Confident1 Ų141 Ų411%0.00723%0.225CC..  trans-91.9-3.8-171.368.20000114.9K36 Q37 V55 V56 T60S15-K36 CarbonylContact C-O 3.36Å; S15-K36 WeakPolarHBondContact CA-O 3.13Å; S15-Q37 WeakPolarHBondContact O-CA 3.38Å; S15-V55 PolarHBondContact N-O 2.92Å; S15-V55 PolarHBondContact OG-O 3.32Å; S15-V56 WeakPolarHBondContact OG-CG1 3.46Å; S15-T60 PolarHBondContact OG-OG1 3.38Å
16E90.8Very high91.6Very high19 Ų1939.1 Ų39.19%0.08921%0.211CC..SBendtrans-141.1170.4-174.3-70.9-174.9-112.300111.1I14 V18 R57 S58 A59 T60I14-E16 WeakPolarHBondContact CG2-O 3.48Å; E16-V18 PolarHBondContact O-N 2.93Å; E16-V18 VanDerWaalsContact O-N 3.13Å; E16-R57 HydrophobicContact CB-CB 4.24Å; E16-R57 HydrophobicContact CB-CG 4.47Å; E16-R57 VanDerWaalsContact CD-N 3.31Å; E16-R57 VanDerWaalsContact OE1-C 3.31Å; E16-R57 WeakPolarHBondContact OE1-CA 3.48Å; E16-R57 PolarHBondContact OE1-N 2.91Å; E16-R57 WeakPolarHBondContact OE2-CB 3.29Å; E16-S58 PolarHBondContact OE1-N 3.47Å; E16-S58 PolarHBondContact OE2-N 3.35Å; E16-S58 VanDerWaalsContact OE2-N 3.12Å; E16-A59 PolarHBondContact OE1-N 2.86Å; E16-A59 WeakPolarHBondContact OE2-CA 3.39Å; E16-A59 WeakPolarHBondContact OE2-CB 3.37Å; E16-A59 PolarHBondContact OE2-N 3.36Å; E16-T60 VanDerWaalsContact CD-N 3.31Å; E16-T60 VanDerWaalsContact CG-OG1 3.29Å; E16-T60 WeakPolarHBondContact CG-OG1 3.36Å; E16-T60 VanDerWaalsContact OE1-CB 3.26Å; E16-T60 WeakPolarHBondContact OE1-CB 3.05Å; E16-T60 PolarHBondContact OE1-N 2.82Å; E16-T60 PolarHBondContact OE1-OG1 3.02Å
17S89.2Confident93.4Very high73 Ų7340.6 Ų40.651%0.5121%0.213SC..  trans-69.8107.2171.7-175.90000110.3R57S17-R57 WeakPolarHBondContact O-CD 3.49Å
18V90.3Very high94.5Very high13 Ų1346.1 Ų46.18%0.07924%0.238CC..  trans-115.1157173.2-177.10000107.9I14 E16 C22 V55 R57 A79I14-V18 HydrophobicContact CG2-CB 4.13Å; I14-V18 HydrophobicContact CG2-CG2 3.72Å; E16-V18 PolarHBondContact O-N 2.93Å; E16-V18 VanDerWaalsContact O-N 3.13Å; V18-C22 HydrophobicContact CB-CB 4.5Å; V18-C22 HydrophobicContact CG1-CB 3.53Å; V18-V55 HydrophobicContact CG2-CG1 4.16Å; V18-R57 HydrophobicContact CG2-CG 3.9Å; V18-A79 HydrophobicContact CG1-CB 4.43Å
19D92.1Very high95.1Very high44 Ų4446.7 Ų46.724%0.23524%0.237CC..  trans-53.7133.1173.9-169.1-76.8000111.1R21 C22 A296D19-R21 PolarHBondContact O-N 3.49Å; D19-R21 WeakPolarHBondContact OD1-CB 3.32Å; D19-R21 PolarHBondContact OD1-N 3.01Å; D19-C22 VanDerWaalsContact O-CB 3.25Å; D19-C22 WeakPolarHBondContact O-CB 3.36Å; D19-C22 PolarHBondContact O-N 3.35Å; D19-A296 WeakPolarHBondContact OD2-CA 3.31Å
20P93.4Very high95.2Very high96 Ų9649.4 Ų49.462%0.62327%0.266SS*.Hα-helixtrans-54.4-24.2-179.1-27.735.3000114.4C22 R23 A24P20-C22 PolarHBondContact O-N 3.35Å; P20-R23 PolarHBondContact O-N 2.98Å; P20-A24 PolarHBondContact O-N 2.9Å; P20-A24 VanDerWaalsContact O-N 3.17Å
21R93.4Very high95.4Very high129 Ų12943.8 Ų43.849%0.48724%0.241SC..Hα-helixtrans-61.8-30.1175.5-169.3171-179.3163.5-6112.8D19 R23 A24 I25 E300D19-R21 PolarHBondContact O-N 3.49Å; D19-R21 WeakPolarHBondContact OD1-CB 3.32Å; D19-R21 PolarHBondContact OD1-N 3.01Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 2.77Å; R21-A24 PolarHBondContact O-N 3.34Å; R21-I25 HydrophobicContact CG-CD1 3.8Å; R21-I25 HydrophobicContact CG-CG1 4.24Å; R21-I25 VanDerWaalsContact O-CG1 3.3Å; R21-I25 WeakPolarHBondContact O-CG1 3.38Å; R21-I25 PolarHBondContact O-N 3.13Å; R21-E300 IonicContact CZ-OE1 3.46Å; R21-E300 IonicContact CZ-OE2 2.78Å; R21-E300 VanDerWaalsContact NE-CD 3.34Å; R21-E300 IonicContact NE-OE1 3.28Å; R21-E300 PolarHBondContact NE-OE1 3.42Å; R21-E300 IonicContact NE-OE2 2.64Å; R21-E300 PolarHBondContact NE-OE2 3.32Å; R21-E300 IonicContact NH1-OE2 3.91Å; R21-E300 PolarHBondContact NH1-OE2 3.49Å; R21-E300 VanDerWaalsContact NH2-CD 3.35Å; R21-E300 IonicContact NH2-OE1 2.87Å; R21-E300 PolarHBondContact NH2-OE1 2.83Å; R21-E300 IonicContact NH2-OE2 2.67Å; R21-E300 PolarHBondContact NH2-OE2 2.89Å
22C96.5Very high95.4Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-57.6-49.3174.5-179.70000111V18 D19 P20 L26 G299 A303V18-C22 HydrophobicContact CB-CB 4.5Å; V18-C22 HydrophobicContact CG1-CB 3.53Å; D19-C22 VanDerWaalsContact O-CB 3.25Å; D19-C22 WeakPolarHBondContact O-CB 3.36Å; D19-C22 PolarHBondContact O-N 3.35Å; P20-C22 PolarHBondContact O-N 3.35Å; C22-L26 VanDerWaalsContact O-CG 3.32Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 2.9Å; C22-G299 WeakPolarHBondContact CB-O 3.39Å; C22-A303 HydrophobicContact CB-CB 4.42Å; C22-A303 WeakPolarHBondContact O-CB 3.5Å
23R97.1Very high95.3Very high92 Ų9251.7 Ų51.735%0.34727%0.27SS..Hα-helixtrans-62.7-48.6177.4170.9176.7178.5169.53.4111.5I14 P20 R21 I25 L26 E27 V33 E35I14-R23 HydrophobicContact CD1-CB 4.34Å; P20-R23 PolarHBondContact O-N 2.98Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 2.77Å; R23-I25 VanDerWaalsContact C-N 3.35Å; R23-I25 PolarHBondContact O-N 3.48Å; R23-L26 PolarHBondContact O-N 3.11Å; R23-E27 HydrophobicContact CG-CG 4.24Å; R23-E27 IonicContact CZ-OE1 2.75Å; R23-E27 IonicContact NE-OE1 3.75Å; R23-E27 PolarHBondContact NE-OE1 3.39Å; R23-E27 IonicContact NE-OE2 3.04Å; R23-E27 PolarHBondContact NE-OE2 3.04Å; R23-E27 IonicContact NH2-OE1 3.66Å; R23-E27 PolarHBondContact NH2-OE1 2.95Å; R23-E27 PolarHBondContact O-N 3.03Å; R23-V33 HydrophobicContact CB-CG1 4.3Å; R23-V33 HydrophobicContact CG-CB 4.12Å; R23-V33 HydrophobicContact CG-CG1 4Å; R23-V33 HydrophobicContact CG-CG2 4.45Å; R23-E35 WeakPolarHBondContact CD-OE2 3.42Å; R23-E35 IonicContact CZ-OE2 3.58Å; R23-E35 IonicContact NH1-OE2 3.44Å; R23-E35 PolarHBondContact NH1-OE2 2.93Å
24A97.3Very high95.3Very high36 Ų3654 Ų5430%0.29828%0.284SS..Hα-helixtrans-56-48.7-178.100000111.7P20 R21 L26 E27 E28P20-A24 PolarHBondContact O-N 2.9Å; P20-A24 VanDerWaalsContact O-N 3.17Å; R21-A24 PolarHBondContact O-N 3.34Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 3.17Å; A24-E27 PolarHBondContact O-N 3.37Å; A24-E28 VanDerWaalsContact O-CB 3.31Å; A24-E28 WeakPolarHBondContact O-CB 3.2Å; A24-E28 WeakPolarHBondContact O-CG 3.31Å; A24-E28 PolarHBondContact O-N 3.23Å
25I97.6Very high95.2Very high13 Ų1357.4 Ų57.47%0.06730%0.3CS..Hα-helixtrans-60.6-41.9179.4-70168.7000111.7R21 R23 N29 E300 A303 L304 V307R21-I25 HydrophobicContact CG-CD1 3.8Å; R21-I25 HydrophobicContact CG-CG1 4.24Å; R21-I25 VanDerWaalsContact O-CG1 3.3Å; R21-I25 WeakPolarHBondContact O-CG1 3.38Å; R21-I25 PolarHBondContact O-N 3.13Å; R23-I25 VanDerWaalsContact C-N 3.35Å; R23-I25 PolarHBondContact O-N 3.48Å; I25-N29 PolarHBondContact O-N 3.48Å; I25-N29 PolarHBondContact O-ND2 3.33Å; I25-E300 HydrophobicContact CD1-CB 4.31Å; I25-E300 HydrophobicContact CD1-CG 3.86Å; I25-A303 HydrophobicContact CB-CB 3.84Å; I25-A303 HydrophobicContact CD1-CB 4.35Å; I25-A303 HydrophobicContact CG2-CB 3.73Å; I25-L304 HydrophobicContact CD1-CD2 4.32Å; I25-L304 HydrophobicContact CD1-CG 4.2Å; I25-L304 HydrophobicContact CG2-CD2 3.92Å; I25-L304 HydrophobicContact CG2-CG 4.37Å; I25-V307 HydrophobicContact CG2-CG2 4.13Å
26L97.7Very high95.2Very high0 Ų061.4 Ų61.40%032%0.317CS..Hα-helixtrans-66-48.2178.5-69.4171.7000111.4V12 C22 R23 A24 N29 G30 I31 V33 A303 I306 V307V12-L26 HydrophobicContact CB-CD1 4.42Å; V12-L26 HydrophobicContact CG1-CD1 4.1Å; C22-L26 VanDerWaalsContact O-CG 3.32Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 2.9Å; R23-L26 PolarHBondContact O-N 3.11Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 3.17Å; L26-N29 CarbonylContact O-C 3.5Å; L26-N29 PolarHBondContact O-N 3Å; L26-N29 VanDerWaalsContact O-N 3.14Å; L26-G30 PolarHBondContact O-N 2.92Å; L26-I31 CarbonylContact C-O 3.56Å; L26-I31 HydrophobicContact CB-CB 4.22Å; L26-I31 HydrophobicContact CB-CG2 4.48Å; L26-I31 HydrophobicContact CD2-CD1 3.78Å; L26-I31 WeakPolarHBondContact O-CB 3.09Å; L26-I31 PolarHBondContact O-N 3Å; L26-V33 HydrophobicContact CB-CG2 3.53Å; L26-V33 HydrophobicContact CD1-CG2 3.84Å; L26-V33 HydrophobicContact CG-CG2 4.35Å; L26-A303 HydrophobicContact CD2-CB 4.36Å; L26-A303 HydrophobicContact CG-CB 4.07Å; L26-I306 HydrophobicContact CD2-CB 4.2Å; L26-I306 HydrophobicContact CD2-CD1 4.44Å; L26-I306 HydrophobicContact CD2-CG2 4.01Å; L26-V307 HydrophobicContact CD2-CG2 4.28Å
27E97.5Very high95.3Very high83 Ų8365.4 Ų65.439%0.38834%0.336SS..Hα-helixtrans-64.7-41.5-179.8-72.7179.9158.200112R23 A24 N29 G30 I31 V33R23-E27 HydrophobicContact CG-CG 4.24Å; R23-E27 IonicContact CZ-OE1 2.75Å; R23-E27 IonicContact NE-OE1 3.75Å; R23-E27 PolarHBondContact NE-OE1 3.39Å; R23-E27 IonicContact NE-OE2 3.04Å; R23-E27 PolarHBondContact NE-OE2 3.04Å; R23-E27 IonicContact NH2-OE1 3.66Å; R23-E27 PolarHBondContact NH2-OE1 2.95Å; R23-E27 PolarHBondContact O-N 3.03Å; A24-E27 PolarHBondContact O-N 3.37Å; E27-N29 PolarHBondContact O-N 3.17Å; E27-G30 PolarHBondContact O-N 3.2Å; E27-I31 WeakPolarHBondContact CA-O 3.26Å; E27-V33 HydrophobicContact CG-CB 4.18Å; E27-V33 HydrophobicContact CG-CG2 3.98Å
28E97.3Very high95.2Very high152 Ų15267.5 Ų67.571%0.7135%0.35SS*.Hα-helixtrans-59.6-24.8174.4-75.6170.2-169.900113A24A24-E28 VanDerWaalsContact O-CB 3.31Å; A24-E28 WeakPolarHBondContact O-CB 3.2Å; A24-E28 WeakPolarHBondContact O-CG 3.31Å; A24-E28 PolarHBondContact O-N 3.23Å
29N95.4Very high95.3Very high77 Ų7768.7 Ų68.741%0.41236%0.356SS..THydrogen-bonded Turntrans-100.716.7177.5-74-88.2000113.2I25 L26 E27 V307I25-N29 PolarHBondContact O-N 3.48Å; I25-N29 PolarHBondContact O-ND2 3.33Å; L26-N29 CarbonylContact O-C 3.5Å; L26-N29 PolarHBondContact O-N 3Å; L26-N29 VanDerWaalsContact O-N 3.14Å; E27-N29 PolarHBondContact O-N 3.17Å; N29-V307 HydrophobicContact CB-CG1 3.99Å; N29-V307 HydrophobicContact CB-CG2 3.7Å; N29-V307 VanDerWaalsContact CG-CG1 3.47Å; N29-V307 WeakPolarHBondContact OD1-CG1 3.3Å
30G94.9Very high95.4Very high62 Ų6273.2 Ų73.264%0.63937%0.373SS*.THydrogen-bonded Turntrans79.914.7172.400000114.9L26 E27L26-G30 PolarHBondContact O-N 2.92Å; E27-G30 PolarHBondContact O-N 3.2Å
31I97Very high95.3Very high4 Ų472.6 Ų72.62%0.02136%0.361CS..  trans-95.8120.8175.4-57.5172.1000108.2I9 V12 L26 E27 V33 I306 V307 V310I9-I31 HydrophobicContact CG2-CD1 4.49Å; I9-I31 HydrophobicContact CG2-CG2 4.28Å; V12-I31 HydrophobicContact CB-CG2 4.11Å; V12-I31 HydrophobicContact CG2-CG2 3.54Å; L26-I31 CarbonylContact C-O 3.56Å; L26-I31 HydrophobicContact CB-CB 4.22Å; L26-I31 HydrophobicContact CB-CG2 4.48Å; L26-I31 HydrophobicContact CD2-CD1 3.78Å; L26-I31 WeakPolarHBondContact O-CB 3.09Å; L26-I31 PolarHBondContact O-N 3Å; E27-I31 WeakPolarHBondContact CA-O 3.26Å; I31-V33 PolarHBondContact O-N 3.49Å; I31-I306 HydrophobicContact CD1-CG2 4.07Å; I31-V307 HydrophobicContact CD1-CG2 4.34Å; I31-V310 HydrophobicContact CD1-CG2 4.46Å
32R97.4Very high95.4Very high177 Ų17772.6 Ų72.667%0.66837%0.366SS*.EExtended strand (participates in β ladder)trans-74.2125.7177.1-72-176.5-78.7-168.8-2.2110K10 T11 V12K10-R32 PolarHBondContact O-N 2.88Å; T11-R32 CarbonylContact C-O 3.53Å; T11-R32 VanDerWaalsContact CA-O 3.29Å; T11-R32 WeakPolarHBondContact CA-O 3.37Å; T11-R32 HydrophobicContact CG2-CB 4.38Å; V12-R32 PolarHBondContact N-O 3.37Å
33V97.9Very high95.3Very high14 Ų1477.4 Ų77.49%0.08539%0.389CS..EExtended strand (participates in β ladder)trans-108.6134.5-177.8179.70000110.5V12 I14 R23 L26 E27 I31 E35V12-V33 WeakPolarHBondContact O-CA 3.41Å; I14-V33 HydrophobicContact CD1-CG1 3.54Å; I14-V33 HydrophobicContact CG1-CG1 3.8Å; R23-V33 HydrophobicContact CB-CG1 4.3Å; R23-V33 HydrophobicContact CG-CB 4.12Å; R23-V33 HydrophobicContact CG-CG1 4Å; R23-V33 HydrophobicContact CG-CG2 4.45Å; L26-V33 HydrophobicContact CB-CG2 3.53Å; L26-V33 HydrophobicContact CD1-CG2 3.84Å; L26-V33 HydrophobicContact CG-CG2 4.35Å; E27-V33 HydrophobicContact CG-CB 4.18Å; E27-V33 HydrophobicContact CG-CG2 3.98Å; I31-V33 PolarHBondContact O-N 3.49Å; V33-E35 HydrophobicContact CG1-CG 4.24Å
34T97.3Very high95.3Very high49 Ų4973.2 Ų73.230%0.30137%0.373SS..EExtended strand (participates in β ladder)trans-117.3130.4166.1-61.40000109.2V12 L13 I14 K36 Y51V12-T34 PolarHBondContact O-N 3.01Å; L13-T34 CarbonylContact C-O 3.59Å; L13-T34 WeakPolarHBondContact CA-O 3.48Å; L13-T34 HydrophobicContact CD1-CG2 4.29Å; I14-T34 PolarHBondContact N-O 3.37Å; T34-K36 HydrophobicContact CG2-CD 4.31Å; T34-K36 HydrophobicContact CG2-CG 4.11Å; T34-Y51 WeakPolarHBondContact CB-OH 3.44Å; T34-Y51 WeakPolarHBondContact CG2-OH 3.3Å; T34-Y51 PolarHBondContact OG1-OH 2.65Å
35E95.9Very high95.2Very high72 Ų7273.7 Ų73.734%0.33637%0.37SS..EExtended strand (participates in β ladder)trans-108114.7176.9-70.9173.5140.300109.1I14 R23 V33I14-E35 HydrophobicContact CB-CG 4.03Å; I14-E35 HydrophobicContact CD1-CG 4.23Å; I14-E35 HydrophobicContact CG1-CG 4.49Å; I14-E35 WeakPolarHBondContact O-CA 3.45Å; R23-E35 WeakPolarHBondContact CD-OE2 3.42Å; R23-E35 IonicContact CZ-OE2 3.58Å; R23-E35 IonicContact NH1-OE2 3.44Å; R23-E35 PolarHBondContact NH1-OE2 2.93Å; V33-E35 HydrophobicContact CG1-CG 4.24Å
36K94Very high95Very high85 Ų8576.2 Ų76.237%0.3739%0.393SS..  trans-135.5111.5173.5-73180176.7170.70108.3L13 I14 S15 T34 M39 E47L13-K36 HydrophobicContact CD1-CB 4.25Å; I14-K36 PolarHBondContact O-N 2.94Å; S15-K36 CarbonylContact C-O 3.36Å; S15-K36 WeakPolarHBondContact CA-O 3.13Å; T34-K36 HydrophobicContact CG2-CD 4.31Å; T34-K36 HydrophobicContact CG2-CG 4.11Å; K36-M39 HydrophobicContact CB-CE 3.81Å; K36-M39 HydrophobicContact CB-CG 4.41Å; K36-M39 HydrophobicContact CB-SD 3.72Å; K36-M39 HydrophobicContact CD-SD 4.22Å; K36-M39 VanDerWaalsContact O-CE 3.3Å; K36-M39 WeakPolarHBondContact O-CE 3.38Å; K36-E47 HydrophobicContact CD-CG 4.17Å; K36-E47 IonicContact NZ-OE1 3.65Å; K36-E47 PolarHBondContact NZ-OE1 3.41Å; K36-E47 IonicContact NZ-OE2 3.54Å; K36-E47 PolarHBondContact NZ-OE2 3.33Å
37Q91.3Very high94.9Very high102 Ų10278.4 Ų78.448%0.47740%0.403SS..  trans-99160.7-173.9-59-179.27.500111.3S15 M39S15-Q37 WeakPolarHBondContact O-CA 3.38Å; Q37-M39 PolarHBondContact O-N 2.96Å; Q37-M39 VanDerWaalsContact O-N 3.14Å
38S87.2Confident94.8Very high117 Ų11774.4 Ų74.482%0.81839%0.385SS*.SBendtrans59.625.9170-560000115
39M93.2Very high94.6Very high38 Ų3871.9 Ų71.919%0.18737%0.371CS..  trans-68.7138.8174.8-69.9-179.1-64.200110.9L13 K36 Q37 E43 L44 E47L13-M39 HydrophobicContact CD1-CE 4.41Å; L13-M39 HydrophobicContact CD2-CE 4.09Å; K36-M39 HydrophobicContact CB-CE 3.81Å; K36-M39 HydrophobicContact CB-CG 4.41Å; K36-M39 HydrophobicContact CB-SD 3.72Å; K36-M39 HydrophobicContact CD-SD 4.22Å; K36-M39 VanDerWaalsContact O-CE 3.3Å; K36-M39 WeakPolarHBondContact O-CE 3.38Å; Q37-M39 PolarHBondContact O-N 2.96Å; Q37-M39 VanDerWaalsContact O-N 3.14Å; M39-E43 WeakPolarHBondContact CA-OE2 3.46Å; M39-E43 HydrophobicContact CB-CB 4.08Å; M39-E43 HydrophobicContact CG-CB 4.39Å; M39-L44 HydrophobicContact CB-CB 4.48Å; M39-L44 HydrophobicContact CE-CD1 3.94Å; M39-E47 HydrophobicContact SD-CB 4.24Å; M39-E47 HydrophobicContact SD-CG 4.22Å
40K93.1Very high94.3Very high140 Ų14074.1 Ų74.161%0.60938%0.383SS*.  trans-70.2164.3166.9-67.6178.9-178172.40110.3E42 E43 L44K40-E42 VanDerWaalsContact C-N 3.26Å; K40-E42 PolarHBondContact O-N 3.42Å; K40-E43 HydrophobicContact CB-CG 4.43Å; K40-E43 PolarHBondContact N-OE2 3Å; K40-E43 PolarHBondContact O-N 3.31Å; K40-E43 VanDerWaalsContact O-N 3.13Å; K40-L44 PolarHBondContact O-N 2.72Å
41K93.3Very high94.4Very high82 Ų8272.2 Ų72.236%0.35736%0.357SS..Hα-helixtrans-53.3-44.9-179.6-178.4-177.1175.7-174.80111.8L44 I45 D65 V66K41-L44 PolarHBondContact O-N 2.92Å; K41-I45 HydrophobicContact CG-CD1 4.02Å; K41-I45 WeakPolarHBondContact O-CG1 3.35Å; K41-I45 PolarHBondContact O-N 3.38Å; K41-D65 WeakPolarHBondContact CE-OD2 3.32Å; K41-D65 IonicContact NZ-OD2 3.26Å; K41-D65 PolarHBondContact NZ-OD2 3.35Å; K41-V66 HydrophobicContact CG-CG2 4.36Å
42E94.5Very high94.4Very high130 Ų13073 Ų7361%0.60736%0.361SS*.Hα-helixtrans-67.2-37.2-177.9-61.769.6-148.600111.9K40 A46K40-E42 VanDerWaalsContact C-N 3.26Å; K40-E42 PolarHBondContact O-N 3.42Å; E42-A46 PolarHBondContact O-N 2.98Å; E42-A46 VanDerWaalsContact O-N 3.14Å
43E94.9Very high94.4Very high100 Ų10064.5 Ų64.547%0.46733%0.329SS..Hα-helixtrans-68.9-42.8176-66.4165.8-17700110.9M39 K40 I45 A46 E47M39-E43 WeakPolarHBondContact CA-OE2 3.46Å; M39-E43 HydrophobicContact CB-CB 4.08Å; M39-E43 HydrophobicContact CG-CB 4.39Å; K40-E43 HydrophobicContact CB-CG 4.43Å; K40-E43 PolarHBondContact N-OE2 3Å; K40-E43 PolarHBondContact O-N 3.31Å; K40-E43 VanDerWaalsContact O-N 3.13Å; E43-I45 VanDerWaalsContact C-N 3.34Å; E43-I45 PolarHBondContact O-N 3.05Å; E43-A46 PolarHBondContact O-N 3.26Å; E43-E47 WeakPolarHBondContact O-CB 3.5Å; E43-E47 PolarHBondContact O-N 2.75Å
44L95.9Very high94.4Very high4 Ų463.9 Ų63.92%0.02133%0.325CS..Hα-helixtrans-62-42175.7177.861000111.5L13 M39 K40 K41 A46 E47 I48 T60 V66L13-L44 HydrophobicContact CD2-CD1 3.93Å; M39-L44 HydrophobicContact CB-CB 4.48Å; M39-L44 HydrophobicContact CE-CD1 3.94Å; K40-L44 PolarHBondContact O-N 2.72Å; K41-L44 PolarHBondContact O-N 2.92Å; L44-A46 VanDerWaalsContact C-N 3.29Å; L44-A46 PolarHBondContact O-N 3.31Å; L44-E47 PolarHBondContact O-N 3.29Å; L44-I48 HydrophobicContact CD1-CB 4.43Å; L44-I48 VanDerWaalsContact O-CB 3.26Å; L44-I48 WeakPolarHBondContact O-CB 3.5Å; L44-I48 VanDerWaalsContact O-CG2 3.27Å; L44-I48 WeakPolarHBondContact O-CG2 3.25Å; L44-I48 PolarHBondContact O-N 2.67Å; L44-T60 HydrophobicContact CD2-CG2 3.5Å; L44-V66 HydrophobicContact CD2-CG1 3.72Å; L44-V66 HydrophobicContact CD2-CG2 4.02Å; L44-V66 HydrophobicContact CG-CG1 3.86Å; L44-V66 HydrophobicContact CG-CG2 4.43Å
45I96.3Very high94.4Very high47 Ų4761.6 Ų61.624%0.24131%0.311CS..Hα-helixtrans-60-39.4175-77.5168.4000111.6K41 E43 D65 V66 A69K41-I45 HydrophobicContact CG-CD1 4.02Å; K41-I45 WeakPolarHBondContact O-CG1 3.35Å; K41-I45 PolarHBondContact O-N 3.38Å; E43-I45 VanDerWaalsContact C-N 3.34Å; E43-I45 PolarHBondContact O-N 3.05Å; I45-D65 HydrophobicContact CD1-CB 4.04Å; I45-V66 HydrophobicContact CG1-CG2 4.03Å; I45-A69 HydrophobicContact CB-CB 4.34Å; I45-A69 HydrophobicContact CG1-CB 4.34Å; I45-A69 HydrophobicContact CG2-CB 3.74Å
46A94Very high94.4Very high66 Ų6658.1 Ų58.155%0.54530%0.295SS..Hα-helixtrans-70.1-39177.600000112E42 E43 L44E42-A46 PolarHBondContact O-N 2.98Å; E42-A46 VanDerWaalsContact O-N 3.14Å; E43-A46 PolarHBondContact O-N 3.26Å; L44-A46 VanDerWaalsContact C-N 3.29Å; L44-A46 PolarHBondContact O-N 3.31Å
47E94.8Very high94.3Very high45 Ų4556 Ų5621%0.2129%0.285CS..Hα-helixtrans-77-39.7-175.7-175.565.5-161.400113.3L13 K36 M39 E43 L44 K49 Y51L13-E47 HydrophobicContact CD1-CG 4.32Å; L13-E47 HydrophobicContact CD2-CG 3.85Å; K36-E47 HydrophobicContact CD-CG 4.17Å; K36-E47 IonicContact NZ-OE1 3.65Å; K36-E47 PolarHBondContact NZ-OE1 3.41Å; K36-E47 IonicContact NZ-OE2 3.54Å; K36-E47 PolarHBondContact NZ-OE2 3.33Å; M39-E47 HydrophobicContact SD-CB 4.24Å; M39-E47 HydrophobicContact SD-CG 4.22Å; E43-E47 WeakPolarHBondContact O-CB 3.5Å; E43-E47 PolarHBondContact O-N 2.75Å; L44-E47 PolarHBondContact O-N 3.29Å; E47-K49 PolarHBondContact O-N 3.34Å; E47-K49 VanDerWaalsContact O-N 3.09Å; E47-Y51 HydrophobicContact CG-CE2 3.88Å; E47-Y51 WeakPolarHBondContact O-CD2 3.47Å; E47-Y51 WeakPolarHBondContact O-CE2 3.18Å; E47-Y51 WeakPolarHBondContact OE1-CE2 3.34Å; E47-Y51 PolarHBondContact OE1-OH 3.45Å
48I95.6Very high94Very high0 Ų053.3 Ų53.30%028%0.277CS..G310 helixtrans-69.2-14.5-163.6-165.761000115.2L13 L44 D50 Y51 L54 A69 A70 L73L13-I48 HydrophobicContact CB-CD1 4.46Å; L13-I48 HydrophobicContact CD2-CD1 3.86Å; L44-I48 HydrophobicContact CD1-CB 4.43Å; L44-I48 VanDerWaalsContact O-CB 3.26Å; L44-I48 WeakPolarHBondContact O-CB 3.5Å; L44-I48 VanDerWaalsContact O-CG2 3.27Å; L44-I48 WeakPolarHBondContact O-CG2 3.25Å; L44-I48 PolarHBondContact O-N 2.67Å; I48-D50 VanDerWaalsContact C-N 3.28Å; I48-D50 PolarHBondContact O-N 3.06Å; I48-D50 VanDerWaalsContact O-N 3.16Å; I48-Y51 PolarHBondContact O-N 3.25Å; I48-L54 HydrophobicContact CD1-CB 3.99Å; I48-L54 HydrophobicContact CD1-CD1 4.01Å; I48-L54 HydrophobicContact CD1-CD2 4.15Å; I48-L54 HydrophobicContact CD1-CG 4.25Å; I48-A69 HydrophobicContact CG2-CB 4.38Å; I48-A70 HydrophobicContact CB-CB 4.24Å; I48-A70 HydrophobicContact CG1-CB 3.62Å; I48-A70 HydrophobicContact CG2-CB 3.73Å; I48-L73 HydrophobicContact CD1-CD1 4.35Å
49K93.1Very high93.9Very high99 Ų9951.4 Ų51.443%0.4327%0.269SS..G310 helixtrans-54.8-38.4-169-59.8-174.7176.3-179.10114.3E47 N72E47-K49 PolarHBondContact O-N 3.34Å; E47-K49 VanDerWaalsContact O-N 3.09Å; K49-N72 PolarHBondContact O-ND2 3.3Å
50D88.4Confident93.9Very high123 Ų12350.5 Ų50.566%0.65827%0.265SS*.G310 helixtrans-996.6-170.5-63.1-41.6000114.1T11 I48T11-D50 PolarHBondContact OG1-O 2.79Å; I48-D50 VanDerWaalsContact C-N 3.28Å; I48-D50 PolarHBondContact O-N 3.06Å; I48-D50 VanDerWaalsContact O-N 3.16Å
51Y97Very high93.9Very high23 Ų2349.8 Ų49.89%0.0926%0.262CS..  trans-100.7137.7-176.3-66.3-85.5000112.6T11 L13 T34 E47 I48 N72 L73T11-Y51 WeakPolarHBondContact OG1-CA 3.42Å; L13-Y51 HydrophobicContact CB-CD1 3.72Å; L13-Y51 HydrophobicContact CB-CD2 3.98Å; L13-Y51 HydrophobicContact CB-CE1 3.9Å; L13-Y51 HydrophobicContact CB-CE2 4.15Å; L13-Y51 HydrophobicContact CB-CG 3.74Å; L13-Y51 HydrophobicContact CD1-CE1 4.5Å; L13-Y51 HydrophobicContact CD1-CE2 4.38Å; L13-Y51 HydrophobicContact CD2-CD2 4.26Å; L13-Y51 HydrophobicContact CD2-CE2 4.21Å; L13-Y51 HydrophobicContact CG-CE2 4.49Å; T34-Y51 WeakPolarHBondContact CB-OH 3.44Å; T34-Y51 WeakPolarHBondContact CG2-OH 3.3Å; T34-Y51 PolarHBondContact OG1-OH 2.65Å; E47-Y51 HydrophobicContact CG-CE2 3.88Å; E47-Y51 WeakPolarHBondContact O-CD2 3.47Å; E47-Y51 WeakPolarHBondContact O-CE2 3.18Å; E47-Y51 WeakPolarHBondContact OE1-CE2 3.34Å; E47-Y51 PolarHBondContact OE1-OH 3.45Å; I48-Y51 PolarHBondContact O-N 3.25Å; Y51-N72 CarbonylContact O-C 3.49Å; Y51-L73 WeakPolarHBondContact O-CA 3.35Å; Y51-L73 PolarHBondContact O-N 2.95Å
52D97.3Very high94Very high19 Ų1945.9 Ų45.910%0.10225%0.245CC..SBendtrans-77.3-27.3172.8-56.6-66000112.1I9 K10 T11 K74 I75I9-D52 HydrophobicContact CB-CB 4.36Å; I9-D52 HydrophobicContact CD1-CB 3.98Å; I9-D52 HydrophobicContact CG2-CB 3.95Å; K10-D52 WeakPolarHBondContact CA-OD2 3.38Å; K10-D52 WeakPolarHBondContact CB-OD2 3.35Å; K10-D52 PolarHBondContact N-OD2 3.07Å; T11-D52 PolarHBondContact N-OD2 3.03Å; T11-D52 WeakPolarHBondContact O-CB 3.33Å; T11-D52 PolarHBondContact O-N 3.05Å; T11-D52 VanDerWaalsContact O-N 3.09Å; T11-D52 PolarHBondContact OG1-N 3.22Å; T11-D52 VanDerWaalsContact OG1-N 3.08Å; T11-D52 PolarHBondContact OG1-OD2 3.44Å; D52-K74 PolarHBondContact O-N 2.75Å; D52-K74 IonicContact OD1-NZ 3.15Å; D52-K74 PolarHBondContact OD1-NZ 3.46Å; D52-I75 PolarHBondContact O-N 2.91Å
53G97.5Very high94.1Very high0 Ų041.9 Ų41.90%023%0.229CC..EExtended strand (participates in β ladder)trans-140.9152.2-178.900000114.1T11 V12 L13 I75T11-G53 PolarHBondContact O-N 3.09Å; V12-G53 WeakPolarHBondContact CA-O 3.32Å; L13-G53 PolarHBondContact N-O 2.68Å; G53-I75 CarbonylContact C-O 3.57Å; G53-I75 VanDerWaalsContact CA-O 3.24Å; G53-I75 WeakPolarHBondContact CA-O 3.48Å
54L98.3Very high94.2Very high1 Ų138.4 Ų38.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-125125.5174.517658.9000109.5L13 I48 V56 V62 L73 I75 I76 G77L13-L54 HydrophobicContact CB-CD1 4.24Å; L13-L54 HydrophobicContact CD2-CD1 4.16Å; L13-L54 HydrophobicContact CG-CD1 4.17Å; L13-L54 CarbonylContact O-C 3.57Å; L13-L54 WeakPolarHBondContact O-CA 3.32Å; I48-L54 HydrophobicContact CD1-CB 3.99Å; I48-L54 HydrophobicContact CD1-CD1 4.01Å; I48-L54 HydrophobicContact CD1-CD2 4.15Å; I48-L54 HydrophobicContact CD1-CG 4.25Å; L54-V56 HydrophobicContact CD1-CG1 3.92Å; L54-V56 HydrophobicContact CD2-CG1 3.8Å; L54-V56 HydrophobicContact CG-CG1 3.61Å; L54-V62 HydrophobicContact CD2-CG1 3.98Å; L54-V62 HydrophobicContact CD2-CG2 3.88Å; L54-L73 HydrophobicContact CB-CD1 3.94Å; L54-I75 PolarHBondContact N-O 3.15Å; L54-I76 HydrophobicContact CB-CG1 4.44Å; L54-I76 CarbonylContact O-C 3.19Å; L54-I76 VanDerWaalsContact O-CA 3.31Å; L54-I76 WeakPolarHBondContact O-CA 3.45Å; L54-G77 PolarHBondContact O-N 3.14Å
55V97.9Very high94.3Very high0 Ų042.4 Ų42.40%024%0.239CC..EExtended strand (participates in β ladder)trans-105.6127.3168.3178.60000109.5V12 L13 I14 S15 V18 G77 I302 I306V12-V55 HydrophobicContact CG1-CG2 3.78Å; L13-V55 PolarHBondContact O-N 3.44Å; I14-V55 HydrophobicContact CG1-CB 4.1Å; S15-V55 PolarHBondContact N-O 2.92Å; S15-V55 PolarHBondContact OG-O 3.32Å; V18-V55 HydrophobicContact CG2-CG1 4.16Å; V55-G77 CarbonylContact C-O 3.48Å; V55-G77 VanDerWaalsContact CA-O 3.25Å; V55-G77 WeakPolarHBondContact CA-O 3.22Å; V55-I302 HydrophobicContact CG1-CG2 4.19Å; V55-I306 HydrophobicContact CG2-CD1 3.92Å
56V96.1Very high94.3Very high0 Ų040.1 Ų40.10%023%0.228CC..EExtended strand (participates in β ladder)trans-129167.9178.6-52.60000111S15 L54 T60 V62 G77 R78 A79 V86S15-V56 WeakPolarHBondContact OG-CG1 3.46Å; L54-V56 HydrophobicContact CD1-CG1 3.92Å; L54-V56 HydrophobicContact CD2-CG1 3.8Å; L54-V56 HydrophobicContact CG-CG1 3.61Å; V56-T60 HydrophobicContact CG1-CG2 4.05Å; V56-V62 HydrophobicContact CB-CG2 4.38Å; V56-V62 HydrophobicContact CG1-CG2 3.58Å; V56-V62 HydrophobicContact CG2-CG2 4.13Å; V56-G77 PolarHBondContact N-O 2.82Å; V56-R78 HydrophobicContact CG2-CB 4.32Å; V56-R78 HydrophobicContact CG2-CG 4.13Å; V56-R78 WeakPolarHBondContact O-CA 3.32Å; V56-A79 PolarHBondContact O-N 3.41Å; V56-V86 HydrophobicContact CG2-CG2 4.26Å
57R91.2Very high94.5Very high40 Ų4037 Ų3715%0.15120%0.202CC..  trans-117.1-109.3168.3-72.8-163.363.6-136.3-15.6110.9E16 S17 V18 R78 A79 N85 Q295E16-R57 HydrophobicContact CB-CB 4.24Å; E16-R57 HydrophobicContact CB-CG 4.47Å; E16-R57 VanDerWaalsContact CD-N 3.31Å; E16-R57 VanDerWaalsContact OE1-C 3.31Å; E16-R57 WeakPolarHBondContact OE1-CA 3.48Å; E16-R57 PolarHBondContact OE1-N 2.91Å; E16-R57 WeakPolarHBondContact OE2-CB 3.29Å; S17-R57 WeakPolarHBondContact O-CD 3.49Å; V18-R57 HydrophobicContact CG2-CG 3.9Å; R57-R78 PolarHBondContact O-NE 3.07Å; R57-A79 HydrophobicContact CG-CB 3.99Å; R57-N85 PolarHBondContact O-ND2 3Å; R57-N85 PolarHBondContact O-OD1 3.13Å; R57-Q295 VanDerWaalsContact NH1-CD 3.3Å
58S85.6Confident94.5Very high46 Ų4639.3 Ų39.332%0.32222%0.216SC..SBendtrans-118.5-25.4-170-50.90000112.2E16 R78E16-S58 PolarHBondContact OE1-N 3.47Å; E16-S58 PolarHBondContact OE2-N 3.35Å; E16-S58 VanDerWaalsContact OE2-N 3.12Å; S58-R78 PolarHBondContact OG-NH2 2.96Å
59A85.3Confident94.5Very high77 Ų7740.3 Ų40.364%0.63622%0.224SC*.SBendtrans-82.8-43.3-173.500000111.7E16 K61E16-A59 PolarHBondContact OE1-N 2.86Å; E16-A59 WeakPolarHBondContact OE2-CA 3.39Å; E16-A59 WeakPolarHBondContact OE2-CB 3.37Å; E16-A59 PolarHBondContact OE2-N 3.36Å; A59-K61 PolarHBondContact O-N 2.83Å
60T91.4Very high94.5Very high18 Ų1835.6 Ų35.611%0.1120%0.203CC..SBendtrans-71.4121.8-179.8-64.30000109.5S15 E16 L44 V56 V62 N85S15-T60 PolarHBondContact OG-OG1 3.38Å; E16-T60 VanDerWaalsContact CD-N 3.31Å; E16-T60 VanDerWaalsContact CG-OG1 3.29Å; E16-T60 WeakPolarHBondContact CG-OG1 3.36Å; E16-T60 VanDerWaalsContact OE1-CB 3.26Å; E16-T60 WeakPolarHBondContact OE1-CB 3.05Å; E16-T60 PolarHBondContact OE1-N 2.82Å; E16-T60 PolarHBondContact OE1-OG1 3.02Å; L44-T60 HydrophobicContact CD2-CG2 3.5Å; V56-T60 HydrophobicContact CG1-CG2 4.05Å; T60-V62 HydrophobicContact CG2-CG2 4.18Å; T60-N85 PolarHBondContact O-ND2 3.12Å
61K93Very high94.5Very high125 Ų12535.8 Ų35.854%0.54320%0.204SC..  trans-90.6108.3172.7-58.4-55.6-172.4-1780109.4A59 T63 N85A59-K61 PolarHBondContact O-N 2.83Å; K61-T63 VanDerWaalsContact C-N 3.3Å; K61-T63 HydrophobicContact CB-CG2 4.2Å; K61-T63 PolarHBondContact O-N 3.33Å; K61-T63 VanDerWaalsContact O-N 3.12Å; K61-N85 CarbonylContact C-O 3.52Å; K61-N85 WeakPolarHBondContact CA-O 3.49Å; K61-N85 HydrophobicContact CD-CB 3.68Å
62V96.7Very high94.4Very high1 Ų138.3 Ų38.31%0.00622%0.219CC..BIsolated β-bridgetrans-87.972.7178.3-168.30000108.7L54 V56 T60 V66 I67 I76 N85 V86 D87L54-V62 HydrophobicContact CD2-CG1 3.98Å; L54-V62 HydrophobicContact CD2-CG2 3.88Å; V56-V62 HydrophobicContact CB-CG2 4.38Å; V56-V62 HydrophobicContact CG1-CG2 3.58Å; V56-V62 HydrophobicContact CG2-CG2 4.13Å; T60-V62 HydrophobicContact CG2-CG2 4.18Å; V62-V66 HydrophobicContact CG1-CG1 4.23Å; V62-I67 HydrophobicContact CG1-CD1 4.19Å; V62-I67 HydrophobicContact CG1-CG1 3.78Å; V62-I76 HydrophobicContact CG1-CD1 3.87Å; V62-I76 HydrophobicContact CG1-CG1 4.47Å; V62-N85 PolarHBondContact N-O 3.14Å; V62-V86 HydrophobicContact CB-CB 4.47Å; V62-V86 HydrophobicContact CB-CG1 4.31Å; V62-V86 HydrophobicContact CB-CG2 4.23Å; V62-V86 HydrophobicContact CG2-CG2 4.24Å; V62-D87 PolarHBondContact O-N 3.29Å
63T96.8Very high94.3Very high45 Ų4537.9 Ų37.928%0.27622%0.217SC..  trans-73.3165.6-18060.70000112.2K61 D65 V66 I67K61-T63 VanDerWaalsContact C-N 3.3Å; K61-T63 HydrophobicContact CB-CG2 4.2Å; K61-T63 PolarHBondContact O-N 3.33Å; K61-T63 VanDerWaalsContact O-N 3.12Å; T63-D65 PolarHBondContact O-N 3Å; T63-D65 VanDerWaalsContact O-N 3.12Å; T63-V66 WeakPolarHBondContact O-CB 3.46Å; T63-V66 PolarHBondContact O-N 2.89Å; T63-I67 PolarHBondContact O-N 2.86Å; T63-I67 VanDerWaalsContact O-N 3.12Å
64A97.1Very high94.2Very high28 Ų2841 Ų4123%0.23123%0.231CC..Hα-helixtrans-45.5-42.3171.300000114.1V66 I67 N68 D87 A90A64-V66 VanDerWaalsContact C-N 3.33Å; A64-V66 PolarHBondContact O-N 3.06Å; A64-I67 PolarHBondContact O-N 2.87Å; A64-N68 VanDerWaalsContact O-CB 3.24Å; A64-N68 WeakPolarHBondContact O-CB 3.39Å; A64-N68 PolarHBondContact O-N 2.85Å; A64-N68 PolarHBondContact O-ND2 2.75Å; A64-D87 PolarHBondContact N-OD2 3.37Å; A64-A90 HydrophobicContact CB-CB 3.72Å
65D96.9Very high94.1Very high87 Ų8741 Ų4147%0.46523%0.231SC..Hα-helixtrans-62.2-38.2179.6-61.3-24.8000113K41 I45 T63 A69K41-D65 WeakPolarHBondContact CE-OD2 3.32Å; K41-D65 IonicContact NZ-OD2 3.26Å; K41-D65 PolarHBondContact NZ-OD2 3.35Å; I45-D65 HydrophobicContact CD1-CB 4.04Å; T63-D65 PolarHBondContact O-N 3Å; T63-D65 VanDerWaalsContact O-N 3.12Å; D65-A69 WeakPolarHBondContact O-CB 3.04Å; D65-A69 PolarHBondContact O-N 2.81Å; D65-A69 VanDerWaalsContact O-N 3.1Å
66V97Very high94.1Very high0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-68.3-46.6177.4174.40000109.8K41 L44 I45 V62 T63 A64 A69 A70K41-V66 HydrophobicContact CG-CG2 4.36Å; L44-V66 HydrophobicContact CD2-CG1 3.72Å; L44-V66 HydrophobicContact CD2-CG2 4.02Å; L44-V66 HydrophobicContact CG-CG1 3.86Å; L44-V66 HydrophobicContact CG-CG2 4.43Å; I45-V66 HydrophobicContact CG1-CG2 4.03Å; V62-V66 HydrophobicContact CG1-CG1 4.23Å; T63-V66 WeakPolarHBondContact O-CB 3.46Å; T63-V66 PolarHBondContact O-N 2.89Å; A64-V66 VanDerWaalsContact C-N 3.33Å; A64-V66 PolarHBondContact O-N 3.06Å; V66-A69 PolarHBondContact O-N 3.34Å; V66-A70 PolarHBondContact O-N 3.26Å
67I97.4Very high94.2Very high0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-62.3-47.1179.9-65.6165.7000109.8V62 T63 A64 A69 A70 I76 D87 A90 A91 K94 V96V62-I67 HydrophobicContact CG1-CD1 4.19Å; V62-I67 HydrophobicContact CG1-CG1 3.78Å; T63-I67 PolarHBondContact O-N 2.86Å; T63-I67 VanDerWaalsContact O-N 3.12Å; A64-I67 PolarHBondContact O-N 2.87Å; I67-A69 VanDerWaalsContact C-N 3.31Å; I67-A69 PolarHBondContact O-N 2.8Å; I67-A70 PolarHBondContact O-N 3.39Å; I67-A70 VanDerWaalsContact O-N 3.11Å; I67-I76 HydrophobicContact CD1-CD1 4.29Å; I67-I76 HydrophobicContact CG1-CD1 4.05Å; I67-D87 HydrophobicContact CD1-CB 4.05Å; I67-D87 WeakPolarHBondContact CD1-O 3.44Å; I67-A90 HydrophobicContact CD1-CB 3.94Å; I67-A91 HydrophobicContact CD1-CB 4.04Å; I67-K94 HydrophobicContact CG2-CB 3.97Å; I67-K94 HydrophobicContact CG2-CD 3.76Å; I67-K94 HydrophobicContact CG2-CG 4.4Å; I67-K94 WeakPolarHBondContact O-CD 3.34Å; I67-K94 WeakPolarHBondContact O-CE 3.4Å; I67-K94 PolarHBondContact O-NZ 3.49Å; I67-V96 HydrophobicContact CG2-CG2 4.44Å
68N95.1Very high94.4Very high94 Ų9439.8 Ų39.850%0.50323%0.226SC..Hα-helixtrans-67-29.7-178.1-71.6-26.6000113A64 A70 K94A64-N68 VanDerWaalsContact O-CB 3.24Å; A64-N68 WeakPolarHBondContact O-CB 3.39Å; A64-N68 PolarHBondContact O-N 2.85Å; A64-N68 PolarHBondContact O-ND2 2.75Å; N68-A70 VanDerWaalsContact C-N 3.28Å; N68-A70 PolarHBondContact O-N 2.92Å; N68-K94 PolarHBondContact O-NZ 3.06Å
69A95.4Very high94.8Very high21 Ų2137.7 Ų37.717%0.17421%0.212CC..Hα-helixtrans-71.5-18.7173.500000114.2I45 I48 D65 V66 I67 D71I45-A69 HydrophobicContact CB-CB 4.34Å; I45-A69 HydrophobicContact CG1-CB 4.34Å; I45-A69 HydrophobicContact CG2-CB 3.74Å; I48-A69 HydrophobicContact CG2-CB 4.38Å; D65-A69 WeakPolarHBondContact O-CB 3.04Å; D65-A69 PolarHBondContact O-N 2.81Å; D65-A69 VanDerWaalsContact O-N 3.1Å; V66-A69 PolarHBondContact O-N 3.34Å; I67-A69 VanDerWaalsContact C-N 3.31Å; I67-A69 PolarHBondContact O-N 2.8Å; A69-D71 PolarHBondContact O-N 3.39Å
70A94.1Very high95.1Very high0 Ų034.1 Ų34.10%018%0.182CC..  trans-94.791.1-172.700000112.6I48 V66 I67 N68 N72 L73 K94I48-A70 HydrophobicContact CB-CB 4.24Å; I48-A70 HydrophobicContact CG1-CB 3.62Å; I48-A70 HydrophobicContact CG2-CB 3.73Å; V66-A70 PolarHBondContact O-N 3.26Å; I67-A70 PolarHBondContact O-N 3.39Å; I67-A70 VanDerWaalsContact O-N 3.11Å; N68-A70 VanDerWaalsContact C-N 3.28Å; N68-A70 PolarHBondContact O-N 2.92Å; A70-N72 VanDerWaalsContact C-N 3.35Å; A70-N72 PolarHBondContact O-N 3.32Å; A70-L73 HydrophobicContact CB-CB 3.54Å; A70-L73 HydrophobicContact CB-CD2 3.84Å; A70-L73 HydrophobicContact CB-CG 4.26Å; A70-K94 VanDerWaalsContact O-CE 3.29Å; A70-K94 WeakPolarHBondContact O-CE 3.14Å; A70-K94 PolarHBondContact O-NZ 3.36Å
71D88.6Confident94.9Very high127 Ų12735 Ų3568%0.67919%0.187SC*.THydrogen-bonded Turntrans-69.2-30.6-172.1-64.4-32.4000113.7A69A69-D71 PolarHBondContact O-N 3.39Å
72N93.3Very high94.5Very high75 Ų7529.2 Ų29.240%0.40116%0.164SC..THydrogen-bonded Turntrans-96.2-6.5-177.6-66.9-46.5000114.6K49 Y51 A70 K74K49-N72 PolarHBondContact O-ND2 3.3Å; Y51-N72 CarbonylContact O-C 3.49Å; A70-N72 VanDerWaalsContact C-N 3.35Å; A70-N72 PolarHBondContact O-N 3.32Å; N72-K74 VanDerWaalsContact O-CG 3.25Å; N72-K74 WeakPolarHBondContact O-CG 3.38Å; N72-K74 PolarHBondContact O-N 2.93Å; N72-K74 PolarHBondContact O-NZ 3.47Å
73L96.3Very high94.2Very high11 Ų1130.5 Ų30.56%0.05817%0.171CC..  trans-66.7126.5-170.7-170.769.3000110.6I48 Y51 L54 A70 I75 I76 V96I48-L73 HydrophobicContact CD1-CD1 4.35Å; Y51-L73 WeakPolarHBondContact O-CA 3.35Å; Y51-L73 PolarHBondContact O-N 2.95Å; L54-L73 HydrophobicContact CB-CD1 3.94Å; A70-L73 HydrophobicContact CB-CB 3.54Å; A70-L73 HydrophobicContact CB-CD2 3.84Å; A70-L73 HydrophobicContact CB-CG 4.26Å; L73-I75 WeakPolarHBondContact CD1-O 3.38Å; L73-I76 HydrophobicContact CD2-CD1 4.09Å; L73-I76 HydrophobicContact CD2-CG1 3.87Å; L73-I76 HydrophobicContact CG-CG1 4.49Å; L73-V96 HydrophobicContact CD2-CG1 4.08Å; L73-V96 HydrophobicContact CG-CG1 3.97Å; L73-V96 WeakPolarHBondContact O-CG2 3.36Å
74K95.2Very high93.8Very high65 Ų6533.4 Ų33.428%0.28319%0.185SC..  trans-118.2-22.9179.8-45.2-170.8-177.562.50112.1I7 C8 I9 D52 N72 I97I7-K74 HydrophobicContact CG2-CB 3.88Å; I7-K74 HydrophobicContact CG2-CD 3.61Å; I7-K74 HydrophobicContact CG2-CG 4.36Å; C8-K74 WeakPolarHBondContact O-CD 3.44Å; C8-K74 PolarHBondContact O-NZ 3.14Å; I9-K74 HydrophobicContact CD1-CB 3.73Å; I9-K74 HydrophobicContact CD1-CD 4.16Å; I9-K74 HydrophobicContact CD1-CG 4.25Å; D52-K74 PolarHBondContact O-N 2.75Å; D52-K74 IonicContact OD1-NZ 3.15Å; D52-K74 PolarHBondContact OD1-NZ 3.46Å; N72-K74 VanDerWaalsContact O-CG 3.25Å; N72-K74 WeakPolarHBondContact O-CG 3.38Å; N72-K74 PolarHBondContact O-N 2.93Å; N72-K74 PolarHBondContact O-NZ 3.47Å; K74-I97 PolarHBondContact O-N 3.08Å
75I96.6Very high93.4Very high1 Ų132.6 Ų32.61%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-144138.6-177.7-173.4160.9000113.2I9 D52 G53 L54 L73 I97 M99 I306 M309I9-I75 HydrophobicContact CD1-CG2 3.73Å; I9-I75 HydrophobicContact CG1-CG2 4.23Å; D52-I75 PolarHBondContact O-N 2.91Å; G53-I75 CarbonylContact C-O 3.57Å; G53-I75 VanDerWaalsContact CA-O 3.24Å; G53-I75 WeakPolarHBondContact CA-O 3.48Å; L54-I75 PolarHBondContact N-O 3.15Å; L73-I75 WeakPolarHBondContact CD1-O 3.38Å; I75-I97 CarbonylContact C-O 3.59Å; I75-I97 WeakPolarHBondContact CA-O 3.46Å; I75-I97 HydrophobicContact CD1-CG2 4.5Å; I75-I97 HydrophobicContact CG1-CB 4.38Å; I75-I97 HydrophobicContact CG1-CG2 4.47Å; I75-M99 HydrophobicContact CD1-CG 4.03Å; I75-M99 HydrophobicContact CD1-SD 3.42Å; I75-M99 WeakPolarHBondContact CD1-SD 3.42Å; I75-M99 HydrophobicContact CG1-SD 4.47Å; I75-I306 HydrophobicContact CD1-CG1 3.81Å; I75-M309 HydrophobicContact CB-CE 4.37Å; I75-M309 HydrophobicContact CD1-CE 3.49Å; I75-M309 VanDerWaalsContact CD1-CE 3.49Å; I75-M309 HydrophobicContact CD1-SD 3.92Å
76I98.1Very high93.4Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-117.4111.3167.5-61.1157.9000107.1L54 V62 I67 L73 V86 A91 V96 I97 V98 M99L54-I76 HydrophobicContact CB-CG1 4.44Å; L54-I76 CarbonylContact O-C 3.19Å; L54-I76 VanDerWaalsContact O-CA 3.31Å; L54-I76 WeakPolarHBondContact O-CA 3.45Å; V62-I76 HydrophobicContact CG1-CD1 3.87Å; V62-I76 HydrophobicContact CG1-CG1 4.47Å; I67-I76 HydrophobicContact CD1-CD1 4.29Å; I67-I76 HydrophobicContact CG1-CD1 4.05Å; L73-I76 HydrophobicContact CD2-CD1 4.09Å; L73-I76 HydrophobicContact CD2-CG1 3.87Å; L73-I76 HydrophobicContact CG-CG1 4.49Å; I76-V86 HydrophobicContact CD1-CG1 4.26Å; I76-V86 HydrophobicContact CG2-CG1 4.11Å; I76-V86 HydrophobicContact CG2-CG2 4.16Å; I76-A91 HydrophobicContact CD1-CB 4.19Å; I76-V96 HydrophobicContact CD1-CG1 3.79Å; I76-V96 HydrophobicContact CG1-CG1 3.87Å; I76-I97 PolarHBondContact N-O 3.36Å; I76-V98 HydrophobicContact CD1-CG2 4.46Å; I76-V98 WeakPolarHBondContact O-CA 3.29Å; I76-M99 PolarHBondContact O-N 3.28Å
77G97.2Very high93.4Very high0 Ų031.9 Ų31.90%017%0.173CC..EExtended strand (participates in β ladder)trans-97.9116.2174.900000111.7L54 V55 V56L54-G77 PolarHBondContact O-N 3.14Å; V55-G77 CarbonylContact C-O 3.48Å; V55-G77 VanDerWaalsContact CA-O 3.25Å; V55-G77 WeakPolarHBondContact CA-O 3.22Å; V56-G77 PolarHBondContact N-O 2.82Å
78R96.3Very high93.3Very high15 Ų1533.3 Ų33.36%0.05718%0.182CC..EExtended strand (participates in β ladder)trans-93.8112.8172.7-163.2-73.2173.4147.5-15108.9V56 R57 S58 G80 T81 G82 V83 M99 N100V56-R78 HydrophobicContact CG2-CB 4.32Å; V56-R78 HydrophobicContact CG2-CG 4.13Å; V56-R78 WeakPolarHBondContact O-CA 3.32Å; R57-R78 PolarHBondContact O-NE 3.07Å; S58-R78 PolarHBondContact OG-NH2 2.96Å; R78-G80 WeakPolarHBondContact CD-O 3.22Å; R78-G80 PolarHBondContact NH1-O 3.03Å; R78-G80 PolarHBondContact O-N 2.82Å; R78-T81 VanDerWaalsContact NH1-N 3.1Å; R78-G82 WeakPolarHBondContact CD-O 3.32Å; R78-G82 WeakPolarHBondContact CG-O 3.22Å; R78-G82 PolarHBondContact NE-O 2.98Å; R78-G82 PolarHBondContact NH1-O 3.32Å; R78-V83 HydrophobicContact CB-CG1 4.15Å; R78-V83 HydrophobicContact CG-CG1 4.43Å; R78-M99 PolarHBondContact N-O 3.11Å; R78-N100 WeakPolarHBondContact O-CA 3.46Å
79A94Very high93.2Very high2 Ų234.6 Ų34.62%0.01719%0.189CC..SBendtrans-73.277.817100000111.3V18 V56 R57 C298 I302V18-A79 HydrophobicContact CG1-CB 4.43Å; V56-A79 PolarHBondContact O-N 3.41Å; R57-A79 HydrophobicContact CG-CB 3.99Å; A79-C298 HydrophobicContact CB-CB 4.18Å; A79-I302 HydrophobicContact CB-CG2 4.11Å
80G90.4Very high93.2Very high1 Ų134.2 Ų34.21%0.0119%0.186CC..SBendtrans156.8174.1175.900000111.7R78 N100 T101R78-G80 WeakPolarHBondContact CD-O 3.22Å; R78-G80 PolarHBondContact NH1-O 3.03Å; R78-G80 PolarHBondContact O-N 2.82Å; G80-N100 WeakPolarHBondContact O-CB 3.42Å; G80-T101 WeakPolarHBondContact CA-OG1 3.33Å; G80-T101 PolarHBondContact N-OG1 2.64Å; G80-T101 PolarHBondContact O-N 2.84Å; G80-T101 VanDerWaalsContact O-N 3.09Å
81T87.1Confident93.3Very high36 Ų3634.2 Ų34.222%0.22119%0.186CC..SBendtrans-77.5-45.5-172.6-56.20000114.7R78 N100 T101 N105R78-T81 VanDerWaalsContact NH1-N 3.1Å; T81-N100 PolarHBondContact O-ND2 2.81Å; T81-T101 PolarHBondContact OG1-O 3.03Å; T81-N105 VanDerWaalsContact OG1-CG 3.32Å; T81-N105 PolarHBondContact OG1-OD1 2.96Å
82G85.6Confident93.6Very high5 Ų529 Ų295%0.05216%0.159CC..  trans-71.5152.4175.300000113.6R78R78-G82 WeakPolarHBondContact CD-O 3.32Å; R78-G82 WeakPolarHBondContact CG-O 3.22Å; R78-G82 PolarHBondContact NE-O 2.98Å; R78-G82 PolarHBondContact NH1-O 3.32Å
83V90Very high93.6Very high28 Ų2831 Ų3117%0.1716%0.164CC..  trans-126.923.5175-65.70000111.4R78 N85 V86 V88 V98 N100 V319R78-V83 HydrophobicContact CB-CG1 4.15Å; R78-V83 HydrophobicContact CG-CG1 4.43Å; V83-N85 PolarHBondContact O-N 3.34Å; V83-V86 PolarHBondContact O-N 3.22Å; V83-V88 HydrophobicContact CG2-CG2 3.98Å; V83-V98 HydrophobicContact CG1-CG1 4.27Å; V83-N100 HydrophobicContact CG1-CB 3.82Å; V83-V319 HydrophobicContact CG1-CG2 4.08Å; V83-V319 HydrophobicContact CG2-CG1 4.16Å
84D87.1Confident93.4Very high106 Ų10633.4 Ų33.457%0.56717%0.174SC*.THydrogen-bonded Turntrans-62.6-17.8-174.7-44.7-90.3000112.9R239D84-R239 IonicContact OD1-NE 3.45Å; D84-R239 PolarHBondContact OD1-NE 3.1Å; D84-R239 IonicContact OD2-CZ 3.33Å; D84-R239 IonicContact OD2-NE 3.41Å; D84-R239 PolarHBondContact OD2-NE 3.38Å; D84-R239 IonicContact OD2-NH2 2.87Å
85N90.7Very high93.2Very high11 Ų1130.8 Ų30.86%0.05917%0.165CC..THydrogen-bonded Turntrans-945.1174.663-52.1000114.1R57 T60 K61 V62 V83R57-N85 PolarHBondContact O-ND2 3Å; R57-N85 PolarHBondContact O-OD1 3.13Å; T60-N85 PolarHBondContact O-ND2 3.12Å; K61-N85 CarbonylContact C-O 3.52Å; K61-N85 WeakPolarHBondContact CA-O 3.49Å; K61-N85 HydrophobicContact CD-CB 3.68Å; V62-N85 PolarHBondContact N-O 3.14Å; V83-N85 PolarHBondContact O-N 3.34Å
86V96.3Very high93.2Very high11 Ų1130.8 Ų30.87%0.06717%0.165CC..BIsolated β-bridgetrans-119.1127.5178.3-176.80000109V56 V62 I76 V83 V88 V98V56-V86 HydrophobicContact CG2-CG2 4.26Å; V62-V86 HydrophobicContact CB-CB 4.47Å; V62-V86 HydrophobicContact CB-CG1 4.31Å; V62-V86 HydrophobicContact CB-CG2 4.23Å; V62-V86 HydrophobicContact CG2-CG2 4.24Å; I76-V86 HydrophobicContact CD1-CG1 4.26Å; I76-V86 HydrophobicContact CG2-CG1 4.11Å; I76-V86 HydrophobicContact CG2-CG2 4.16Å; V83-V86 PolarHBondContact O-N 3.22Å; V86-V88 VanDerWaalsContact C-N 3.32Å; V86-V88 PolarHBondContact O-N 2.88Å; V86-V98 HydrophobicContact CG1-CG1 4.08Å; V86-V98 HydrophobicContact CG1-CG2 3.99Å
87D96.3Very high93Very high60 Ų6030.8 Ų30.832%0.32117%0.165SC..  trans-75.786.4172.1-170-26000109.6V62 A64 I67 D89 A90 A91V62-D87 PolarHBondContact O-N 3.29Å; A64-D87 PolarHBondContact N-OD2 3.37Å; I67-D87 HydrophobicContact CD1-CB 4.05Å; I67-D87 WeakPolarHBondContact CD1-O 3.44Å; D87-D89 PolarHBondContact O-N 3.36Å; D87-D89 PolarHBondContact OD1-N 3.31Å; D87-A90 HydrophobicContact CB-CB 3.99Å; D87-A90 PolarHBondContact O-N 3.29Å; D87-A90 WeakPolarHBondContact OD1-CB 3.4Å; D87-A90 PolarHBondContact OD1-N 3.47Å; D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 3.26Å
88V95.5Very high93Very high31 Ų3130.8 Ų30.819%0.18817%0.165CC..Hα-helixtrans-62.4-34.1-176.9-179.40000111.3V83 V86 A91 T92 V98 V319 N320V83-V88 HydrophobicContact CG2-CG2 3.98Å; V86-V88 VanDerWaalsContact C-N 3.32Å; V86-V88 PolarHBondContact O-N 2.88Å; V88-A91 PolarHBondContact O-N 2.87Å; V88-T92 VanDerWaalsContact O-CB 3.29Å; V88-T92 WeakPolarHBondContact O-CB 3.38Å; V88-T92 PolarHBondContact O-N 3.2Å; V88-T92 PolarHBondContact O-OG1 3.02Å; V88-V98 HydrophobicContact CG2-CG1 4.38Å; V88-V319 HydrophobicContact CG1-CG1 4.05Å; V88-V319 HydrophobicContact CG2-CG1 4.18Å; V88-N320 HydrophobicContact CG1-CB 3.89Å
89D93.7Very high93Very high121 Ų12130.1 Ų30.165%0.64716%0.162SC*.Hα-helixtrans-69-45.3179.1-73.1-18.7000111D87 T92 K93D87-D89 PolarHBondContact O-N 3.36Å; D87-D89 PolarHBondContact OD1-N 3.31Å; D89-T92 PolarHBondContact O-N 2.84Å; D89-K93 WeakPolarHBondContact O-CG 3.47Å; D89-K93 PolarHBondContact O-N 3.5Å
90A95.6Very high93Very high12 Ų1231.1 Ų31.110%0.09917%0.168CC..Hα-helixtrans-63.1-41.8174.200000111.8A64 I67 D87 T92 K93 K94A64-A90 HydrophobicContact CB-CB 3.72Å; I67-A90 HydrophobicContact CD1-CB 3.94Å; D87-A90 HydrophobicContact CB-CB 3.99Å; D87-A90 PolarHBondContact O-N 3.29Å; D87-A90 WeakPolarHBondContact OD1-CB 3.4Å; D87-A90 PolarHBondContact OD1-N 3.47Å; A90-T92 VanDerWaalsContact C-N 3.34Å; A90-T92 PolarHBondContact O-N 2.93Å; A90-K93 PolarHBondContact O-N 3.26Å; A90-K94 WeakPolarHBondContact O-CB 3.45Å; A90-K94 PolarHBondContact O-N 3.49Å
91A96.4Very high93.2Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-60-46.6175.300000110.8I67 I76 D87 V88 K93 K94 G95 V96 V98I67-A91 HydrophobicContact CD1-CB 4.04Å; I76-A91 HydrophobicContact CD1-CB 4.19Å; D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 3.26Å; V88-A91 PolarHBondContact O-N 2.87Å; A91-K93 PolarHBondContact O-N 3.43Å; A91-K94 CarbonylContact O-C 3.49Å; A91-K94 PolarHBondContact O-N 2.98Å; A91-G95 PolarHBondContact O-N 2.93Å; A91-V96 CarbonylContact C-O 3.54Å; A91-V96 HydrophobicContact CB-CB 4.24Å; A91-V96 PolarHBondContact O-N 2.88Å; A91-V98 HydrophobicContact CB-CG2 3.45Å; A91-V98 VanDerWaalsContact CB-CG2 3.45Å
92T94.4Very high93.2Very high18 Ų1830.8 Ų30.811%0.1117%0.166CC..Hα-helixtrans-60.4-47.4177.4-56.40000110.9V88 D89 A90 K94 G95 N320 I397 N398V88-T92 VanDerWaalsContact O-CB 3.29Å; V88-T92 WeakPolarHBondContact O-CB 3.38Å; V88-T92 PolarHBondContact O-N 3.2Å; V88-T92 PolarHBondContact O-OG1 3.02Å; D89-T92 PolarHBondContact O-N 2.84Å; A90-T92 VanDerWaalsContact C-N 3.34Å; A90-T92 PolarHBondContact O-N 2.93Å; T92-K94 VanDerWaalsContact C-N 3.33Å; T92-K94 PolarHBondContact O-N 3.34Å; T92-G95 PolarHBondContact O-N 2.99Å; T92-N320 VanDerWaalsContact OG1-CB 3.24Å; T92-N320 WeakPolarHBondContact OG1-CB 3.17Å; T92-N320 PolarHBondContact OG1-ND2 3.26Å; T92-I397 HydrophobicContact CG2-CG2 4.41Å; T92-N398 WeakPolarHBondContact O-CA 3.47Å; T92-N398 WeakPolarHBondContact O-CB 3.41Å
93K91.8Very high93.4Very high118 Ų11833.4 Ų33.451%0.51318%0.183SC..Hα-helixtrans-60.5-41.1177.9-74.5177.5177.7-174.30112.7D89 A90 A91 G95 N398 E405D89-K93 WeakPolarHBondContact O-CG 3.47Å; D89-K93 PolarHBondContact O-N 3.5Å; A90-K93 PolarHBondContact O-N 3.26Å; A91-K93 PolarHBondContact O-N 3.43Å; K93-G95 PolarHBondContact O-N 3.25Å; K93-N398 WeakPolarHBondContact O-CB 3.49Å; K93-N398 PolarHBondContact O-ND2 3.02Å; K93-N398 VanDerWaalsContact O-ND2 3.12Å; K93-E405 WeakPolarHBondContact CE-OE1 3.3Å; K93-E405 IonicContact NZ-OE1 3.03Å
94K92.3Very high93.3Very high61 Ų6132.1 Ų32.127%0.26518%0.175SC..Hα-helixtrans-75.1-5.4176.2-165.4165.5-176.5176.90113.2I67 N68 A70 A90 A91 T92 V96I67-K94 HydrophobicContact CG2-CB 3.97Å; I67-K94 HydrophobicContact CG2-CD 3.76Å; I67-K94 HydrophobicContact CG2-CG 4.4Å; I67-K94 WeakPolarHBondContact O-CD 3.34Å; I67-K94 WeakPolarHBondContact O-CE 3.4Å; I67-K94 PolarHBondContact O-NZ 3.49Å; N68-K94 PolarHBondContact O-NZ 3.06Å; A70-K94 VanDerWaalsContact O-CE 3.29Å; A70-K94 WeakPolarHBondContact O-CE 3.14Å; A70-K94 PolarHBondContact O-NZ 3.36Å; A90-K94 WeakPolarHBondContact O-CB 3.45Å; A90-K94 PolarHBondContact O-N 3.49Å; A91-K94 CarbonylContact O-C 3.49Å; A91-K94 PolarHBondContact O-N 2.98Å; T92-K94 VanDerWaalsContact C-N 3.33Å; T92-K94 PolarHBondContact O-N 3.34Å; K94-V96 VanDerWaalsContact C-N 3.33Å; K94-V96 HydrophobicContact CB-CG2 4.05Å; K94-V96 HydrophobicContact CD-CG2 4.46Å; K94-V96 HydrophobicContact CG-CG2 4.05Å
95G92.2Very high93.6Very high9 Ų927.9 Ų27.99%0.09315%0.153CC..THydrogen-bonded Turntrans74.523.6-18000000113.7A91 T92 K93 N395A91-G95 PolarHBondContact O-N 2.93Å; T92-G95 PolarHBondContact O-N 2.99Å; K93-G95 PolarHBondContact O-N 3.25Å; G95-N395 WeakPolarHBondContact CA-ND2 3.26Å; G95-N395 PolarHBondContact O-ND2 2.99Å
96V95.4Very high93.8Very high1 Ų128 Ų281%0.00615%0.154CC..  trans-92.4129.8178.4-176.50000109.5I67 L73 I76 A91 K94 N320I67-V96 HydrophobicContact CG2-CG2 4.44Å; L73-V96 HydrophobicContact CD2-CG1 4.08Å; L73-V96 HydrophobicContact CG-CG1 3.97Å; L73-V96 WeakPolarHBondContact O-CG2 3.36Å; I76-V96 HydrophobicContact CD1-CG1 3.79Å; I76-V96 HydrophobicContact CG1-CG1 3.87Å; A91-V96 CarbonylContact C-O 3.54Å; A91-V96 HydrophobicContact CB-CB 4.24Å; A91-V96 PolarHBondContact O-N 2.88Å; K94-V96 VanDerWaalsContact C-N 3.33Å; K94-V96 HydrophobicContact CB-CG2 4.05Å; K94-V96 HydrophobicContact CD-CG2 4.46Å; K94-V96 HydrophobicContact CG-CG2 4.05Å; V96-N320 PolarHBondContact O-ND2 3.45Å
97I95.2Very high93.9Very high1 Ų130.1 Ų30.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-73.6134.1177.4-62174.7000109.5I7 K74 I75 I76 M99 M309 A321 L324 I397I7-I97 HydrophobicContact CD1-CD1 3.23Å; I7-I97 HydrophobicContact CD1-CG1 4.4Å; K74-I97 PolarHBondContact O-N 3.08Å; I75-I97 CarbonylContact C-O 3.59Å; I75-I97 WeakPolarHBondContact CA-O 3.46Å; I75-I97 HydrophobicContact CD1-CG2 4.5Å; I75-I97 HydrophobicContact CG1-CB 4.38Å; I75-I97 HydrophobicContact CG1-CG2 4.47Å; I76-I97 PolarHBondContact N-O 3.36Å; I97-M99 HydrophobicContact CG2-CG 3.71Å; I97-M99 HydrophobicContact CG2-SD 4.28Å; I97-M309 HydrophobicContact CD1-SD 3.67Å; I97-A321 HydrophobicContact CG1-CB 4.14Å; I97-A321 HydrophobicContact CG2-CB 3.95Å; I97-L324 HydrophobicContact CD1-CD1 3.6Å; I97-L324 HydrophobicContact CG1-CD1 4.35Å; I97-I397 HydrophobicContact CG1-CD1 4.06Å; I97-I397 HydrophobicContact CG1-CG1 4.01Å
98V96.8Very high93.9Very high0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-108.1127.9168-177.90000109.1I76 V83 V86 V88 A91 V319 N320I76-V98 HydrophobicContact CD1-CG2 4.46Å; I76-V98 WeakPolarHBondContact O-CA 3.29Å; V83-V98 HydrophobicContact CG1-CG1 4.27Å; V86-V98 HydrophobicContact CG1-CG1 4.08Å; V86-V98 HydrophobicContact CG1-CG2 3.99Å; V88-V98 HydrophobicContact CG2-CG1 4.38Å; A91-V98 HydrophobicContact CB-CG2 3.45Å; A91-V98 VanDerWaalsContact CB-CG2 3.45Å; V98-V319 HydrophobicContact CB-CB 4.24Å; V98-V319 HydrophobicContact CG1-CB 4.17Å; V98-V319 HydrophobicContact CG1-CG2 4.27Å; V98-V319 PolarHBondContact O-N 3.46Å; V98-N320 PolarHBondContact N-OD1 2.84Å
99M95.5Very high94Very high0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-124.4148.3177.4-63.9-171.462.500111.7I75 I76 R78 I97 I302 Q305 L315 V316 G317I75-M99 HydrophobicContact CD1-CG 4.03Å; I75-M99 HydrophobicContact CD1-SD 3.42Å; I75-M99 WeakPolarHBondContact CD1-SD 3.42Å; I75-M99 HydrophobicContact CG1-SD 4.47Å; I76-M99 PolarHBondContact O-N 3.28Å; R78-M99 PolarHBondContact N-O 3.11Å; I97-M99 HydrophobicContact CG2-CG 3.71Å; I97-M99 HydrophobicContact CG2-SD 4.28Å; M99-I302 HydrophobicContact CB-CD1 3.98Å; M99-Q305 HydrophobicContact CE-CB 3.55Å; M99-Q305 HydrophobicContact CE-CG 3.97Å; M99-L315 HydrophobicContact CE-CD1 3.79Å; M99-L315 HydrophobicContact SD-CD1 3.65Å; M99-V316 WeakPolarHBondContact CE-O 3.48Å; M99-G317 CarbonylContact C-O 3.56Å; M99-G317 VanDerWaalsContact CA-O 3.26Å; M99-G317 WeakPolarHBondContact CA-O 3.35Å
100N95.1Very high94.2Very high24 Ų2420.4 Ų20.413%0.12811%0.112CC..EExtended strand (participates in β ladder)trans-130.2174.3175.175.2-4.9000111.5R78 G80 T81 V83 P102 Q305 G317 V319R78-N100 WeakPolarHBondContact O-CA 3.46Å; G80-N100 WeakPolarHBondContact O-CB 3.42Å; T81-N100 PolarHBondContact O-ND2 2.81Å; V83-N100 HydrophobicContact CG1-CB 3.82Å; N100-P102 VanDerWaalsContact O-CD 3.22Å; N100-P102 WeakPolarHBondContact O-CD 3.4Å; N100-P102 WeakPolarHBondContact OD1-CD 3.39Å; N100-Q305 PolarHBondContact O-NE2 3.18Å; N100-Q305 VanDerWaalsContact O-NE2 3.16Å; N100-Q305 PolarHBondContact O-OE1 3.23Å; N100-G317 PolarHBondContact N-O 3.5Å; N100-G317 WeakPolarHBondContact OD1-CA 3.2Å; N100-G317 PolarHBondContact OD1-O 3.49Å; N100-G317 VanDerWaalsContact OD1-O 3.05Å; N100-V319 HydrophobicContact CB-CG2 4.19Å
101T93.7Very high94.4Very high0 Ų024.4 Ų24.40%013%0.129CC..  trans-111.983.2176.663.20000109.9G80 T81 S103 G104 C298 D301 I302G80-T101 WeakPolarHBondContact CA-OG1 3.33Å; G80-T101 PolarHBondContact N-OG1 2.64Å; G80-T101 PolarHBondContact O-N 2.84Å; G80-T101 VanDerWaalsContact O-N 3.09Å; T81-T101 PolarHBondContact OG1-O 3.03Å; T101-S103 PolarHBondContact O-N 3.14Å; T101-S103 VanDerWaalsContact O-N 3.1Å; T101-G104 PolarHBondContact O-N 2.78Å; T101-C298 WeakPolarHBondContact CG2-O 3.37Å; T101-C298 PolarHBondContact OG1-SG 3.28Å; T101-C298 VanDerWaalsContact OG1-SG 3.36Å; T101-D301 HydrophobicContact CG2-CB 3.58Å; T101-I302 HydrophobicContact CG2-CB 3.75Å; T101-I302 HydrophobicContact CG2-CD1 4.26Å
102P87.6Confident94.5Very high29 Ų2925.9 Ų25.919%0.18814%0.137CC..THydrogen-bonded Turntrans-65.7-21.1-162.825-34.6000114.3N100N100-P102 VanDerWaalsContact O-CD 3.22Å; N100-P102 WeakPolarHBondContact O-CD 3.4Å; N100-P102 WeakPolarHBondContact OD1-CD 3.39Å
103S89.1Confident94.7Very high61 Ų6125 Ų2543%0.42713%0.131SC..THydrogen-bonded Turntrans-100.5-25.1179.440.50000114.1T101 N105 T106T101-S103 PolarHBondContact O-N 3.14Å; T101-S103 VanDerWaalsContact O-N 3.1Å; S103-N105 PolarHBondContact O-N 3.24Å; S103-T106 WeakPolarHBondContact O-CB 3.49Å; S103-T106 PolarHBondContact O-N 2.83Å; S103-T106 PolarHBondContact O-OG1 3.33Å; S103-T106 VanDerWaalsContact O-OG1 3.06Å
104G89.5Confident95Very high0 Ų019.7 Ų19.70%011%0.109CC..THydrogen-bonded Turntrans-57.1-32.4-161.300000115.2T101 R297T101-G104 PolarHBondContact O-N 2.78Å; G104-R297 PolarHBondContact O-NE 2.87Å; G104-R297 PolarHBondContact O-NH2 3.06Å
105N92.6Very high95.3Very high18 Ų1818.6 Ų18.610%0.09611%0.111CC..THydrogen-bonded Turntrans-103.83-179.377-13.5000115.4T81 S103 I107 S108 A109 A289 A294T81-N105 VanDerWaalsContact OG1-CG 3.32Å; T81-N105 PolarHBondContact OG1-OD1 2.96Å; S103-N105 PolarHBondContact O-N 3.24Å; N105-I107 PolarHBondContact O-N 3.12Å; N105-S108 PolarHBondContact O-N 3.1Å; N105-A109 WeakPolarHBondContact O-CB 3.18Å; N105-A109 PolarHBondContact O-N 3.28Å; N105-A289 HydrophobicContact CB-CB 3.69Å; N105-A294 HydrophobicContact CB-CB 4.47Å
106T95.3Very high95.6Very high13 Ų1318.4 Ų18.48%0.0811%0.108CC..Hα-helixtrans-55.1-50.7-170.1-64.40000112S103 A110 R158 I159 E162S103-T106 WeakPolarHBondContact O-CB 3.49Å; S103-T106 PolarHBondContact O-N 2.83Å; S103-T106 PolarHBondContact O-OG1 3.33Å; S103-T106 VanDerWaalsContact O-OG1 3.06Å; T106-A110 WeakPolarHBondContact O-CB 3.29Å; T106-A110 PolarHBondContact O-N 3.29Å; T106-A110 VanDerWaalsContact O-N 3.1Å; T106-R158 HydrophobicContact CG2-CB 3.74Å; T106-I159 HydrophobicContact CG2-CG1 4.15Å; T106-E162 HydrophobicContact CG2-CG 3.88Å
107I97.6Very high95.8Very high55 Ų5518.3 Ų18.328%0.28211%0.108SC..Hα-helixtrans-66.5-47.7-176.2-59.2-58.4000111.2N105 A109 A110 E111 E162N105-I107 PolarHBondContact O-N 3.12Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.24Å; I107-A110 PolarHBondContact O-N 2.91Å; I107-E111 HydrophobicContact CG2-CG 4.34Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.48Å; I107-E111 WeakPolarHBondContact O-CG 3.26Å; I107-E111 PolarHBondContact O-N 3.2Å; I107-E162 HydrophobicContact CD1-CG 4.03Å; I107-E162 WeakPolarHBondContact CD1-OE2 3.35Å
108S97.4Very high95.9Very high5 Ų521.5 Ų21.54%0.03512%0.123CC..Hα-helixtrans-66.7-35.1-177.5-60.40000112.8N105 E111 L112 G288 T291N105-S108 PolarHBondContact O-N 3.1Å; S108-E111 PolarHBondContact O-N 3.47Å; S108-L112 PolarHBondContact O-N 2.95Å; S108-G288 CarbonylContact C-O 3.49Å; S108-T291 WeakPolarHBondContact CB-OG1 3.4Å; S108-T291 PolarHBondContact OG-OG1 2.83Å
109A96.7Very high96Very high4 Ų422.7 Ų22.73%0.03313%0.131CC..Hα-helixtrans-67.1-43.1174.300000111.1N105 I107 L112 T113 I159 G288N105-A109 WeakPolarHBondContact O-CB 3.18Å; N105-A109 PolarHBondContact O-N 3.28Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 3.24Å; A109-L112 PolarHBondContact O-N 3.14Å; A109-T113 PolarHBondContact O-N 2.91Å; A109-T113 PolarHBondContact O-OG1 3.41Å; A109-I159 HydrophobicContact CB-CD1 3.77Å; A109-I159 HydrophobicContact CB-CG1 4.3Å; A109-I159 HydrophobicContact CB-CG2 4.37Å; A109-G288 VanDerWaalsContact CA-O 3.32Å; A109-G288 WeakPolarHBondContact CA-O 3.39Å; A109-G288 PolarHBondContact N-O 3.01Å
110A98.4Very high96.1Very high0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-62.2-44175.800000112T106 I107 L112 T113 C114 I159 E162 V163T106-A110 WeakPolarHBondContact O-CB 3.29Å; T106-A110 PolarHBondContact O-N 3.29Å; T106-A110 VanDerWaalsContact O-N 3.1Å; I107-A110 PolarHBondContact O-N 2.91Å; A110-L112 PolarHBondContact O-N 3.13Å; A110-T113 PolarHBondContact O-N 3.3Å; A110-C114 PolarHBondContact O-N 2.86Å; A110-C114 PolarHBondContact O-SG 3.19Å; A110-I159 HydrophobicContact CB-CG2 4.22Å; A110-E162 HydrophobicContact CB-CB 3.58Å; A110-V163 HydrophobicContact CB-CG2 3.81Å
111E98.6Very high96.2Very high96 Ų9621.9 Ų21.945%0.44913%0.127SC..Hα-helixtrans-59.7-44.1176.2-74.8168.917300112I107 S108 C114 A115I107-E111 HydrophobicContact CG2-CG 4.34Å; I107-E111 WeakPolarHBondContact CG2-OE1 3.48Å; I107-E111 WeakPolarHBondContact O-CG 3.26Å; I107-E111 PolarHBondContact O-N 3.2Å; S108-E111 PolarHBondContact O-N 3.47Å; E111-C114 PolarHBondContact O-N 3.27Å; E111-A115 WeakPolarHBondContact O-CB 3.43Å; E111-A115 PolarHBondContact O-N 2.97Å
112L98.7Very high96.4Very high30 Ų3029.2 Ų29.216%0.15716%0.155CC..Hα-helixtrans-64.4-42.1176.2-177.661.2000111.8S108 A109 A110 C114 A115 L116 D263 L287S108-L112 PolarHBondContact O-N 2.95Å; A109-L112 PolarHBondContact O-N 3.14Å; A110-L112 PolarHBondContact O-N 3.13Å; L112-C114 PolarHBondContact O-N 3.37Å; L112-A115 WeakPolarHBondContact O-CB 3.38Å; L112-A115 PolarHBondContact O-N 3.08Å; L112-L116 HydrophobicContact CD1-CG 4.42Å; L112-L116 WeakPolarHBondContact O-CG 3.25Å; L112-L116 PolarHBondContact O-N 3.38Å; L112-D263 HydrophobicContact CD2-CB 4.16Å; L112-D263 VanDerWaalsContact CD2-CG 3.48Å; L112-D263 WeakPolarHBondContact CD2-OD2 3.29Å; L112-L287 HydrophobicContact CD2-CB 3.97Å
113T98.8Very high96.8Very high0 Ų029.6 Ų29.60%016%0.155CC..Hα-helixtrans-58.4-48174.3-63.90000111.4A109 A110 A115 L116 L117 V163 T207 V235 C237A109-T113 PolarHBondContact O-N 2.91Å; A109-T113 PolarHBondContact O-OG1 3.41Å; A110-T113 PolarHBondContact O-N 3.3Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.21Å; T113-L116 PolarHBondContact O-N 3.37Å; T113-L117 HydrophobicContact CG2-CD1 4.3Å; T113-L117 WeakPolarHBondContact O-CG 3.16Å; T113-L117 PolarHBondContact O-N 3.09Å; T113-V163 HydrophobicContact CG2-CG1 4.05Å; T113-V163 HydrophobicContact CG2-CG2 3.87Å; T113-T207 VanDerWaalsContact CG2-OG1 3.27Å; T113-T207 WeakPolarHBondContact CG2-OG1 3.32Å; T113-V235 HydrophobicContact CG2-CG1 3.96Å; T113-C237 WeakPolarHBondContact OG1-CB 3.31Å; T113-C237 PolarHBondContact OG1-SG 3.44Å; T113-C237 VanDerWaalsContact OG1-SG 3.41Å
114C98.8Very high97.2Very high7 Ų730 Ų305%0.04716%0.155CC..Hα-helixtrans-60.4-41175.1-66.40000111.7A110 E111 L112 L116 L117 M118 M167A110-C114 PolarHBondContact O-N 2.86Å; A110-C114 PolarHBondContact O-SG 3.19Å; E111-C114 PolarHBondContact O-N 3.27Å; L112-C114 PolarHBondContact O-N 3.37Å; C114-L116 PolarHBondContact O-N 2.91Å; C114-L117 PolarHBondContact O-N 2.92Å; C114-M118 WeakPolarHBondContact O-CE 3.43Å; C114-M118 WeakPolarHBondContact O-CG 3.4Å; C114-M118 PolarHBondContact O-N 3.39Å; C114-M167 HydrophobicContact CB-SD 3.91Å
115A98.7Very high97.6Very high37 Ų3732.4 Ų32.431%0.30617%0.171SC..Hα-helixtrans-62-41.5176.500000112.2E111 L112 T113 S119E111-A115 WeakPolarHBondContact O-CB 3.43Å; E111-A115 PolarHBondContact O-N 2.97Å; L112-A115 WeakPolarHBondContact O-CB 3.38Å; L112-A115 PolarHBondContact O-N 3.08Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.21Å; A115-S119 WeakPolarHBondContact O-CB 3.38Å; A115-S119 PolarHBondContact O-N 2.97Å; A115-S119 PolarHBondContact O-OG 2.87Å
116L98.8Very high97.7Very high5 Ų533.6 Ų33.63%0.02618%0.176CC..Hα-helixtrans-68.2-41.4175.4-70.3-177.8000112L112 T113 C114 M118 S119 L120 V235 C237 I282L112-L116 HydrophobicContact CD1-CG 4.42Å; L112-L116 WeakPolarHBondContact O-CG 3.25Å; L112-L116 PolarHBondContact O-N 3.38Å; T113-L116 PolarHBondContact O-N 3.37Å; C114-L116 PolarHBondContact O-N 2.91Å; L116-M118 PolarHBondContact O-N 3.45Å; L116-S119 PolarHBondContact O-N 3.46Å; L116-L120 WeakPolarHBondContact O-CB 3.32Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 3.32Å; L116-V235 HydrophobicContact CB-CG1 4.02Å; L116-V235 HydrophobicContact CB-CG2 4.25Å; L116-V235 HydrophobicContact CD1-CG1 4.09Å; L116-C237 VanDerWaalsContact CD1-SG 3.54Å; L116-I282 HydrophobicContact CD2-CB 4.42Å; L116-I282 HydrophobicContact CD2-CG2 3.67Å
117L98.6Very high97.8Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-56.4-49.4173.6-75.5169.3000111.6T113 C114 S121 L151 V163 M167 Y205 V235T113-L117 HydrophobicContact CG2-CD1 4.3Å; T113-L117 WeakPolarHBondContact O-CG 3.16Å; T113-L117 PolarHBondContact O-N 3.09Å; C114-L117 PolarHBondContact O-N 2.92Å; L117-S121 PolarHBondContact O-N 3.3Å; L117-S121 VanDerWaalsContact O-N 3.08Å; L117-L151 HydrophobicContact CD1-CD1 4.17Å; L117-L151 HydrophobicContact CD1-CD2 4.03Å; L117-L151 HydrophobicContact CD2-CD1 4.04Å; L117-V163 HydrophobicContact CD1-CG1 4.42Å; L117-M167 HydrophobicContact CD1-CG 3.9Å; L117-M167 HydrophobicContact CD1-SD 4.18Å; L117-Y205 HydrophobicContact CD2-CD1 3.73Å; L117-Y205 HydrophobicContact CD2-CG 4.16Å; L117-V235 HydrophobicContact CD2-CG2 3.73Å; L117-V235 HydrophobicContact CG-CG2 3.98Å
118M98.4Very high97.8Very high67 Ų6734.8 Ų34.833%0.3319%0.188SC..Hα-helixtrans-63.3-43.3176.7-70.3-174.9-71.900112C114 L116 L120 S121 R122 L146 F170C114-M118 WeakPolarHBondContact O-CE 3.43Å; C114-M118 WeakPolarHBondContact O-CG 3.4Å; C114-M118 PolarHBondContact O-N 3.39Å; L116-M118 PolarHBondContact O-N 3.45Å; M118-L120 PolarHBondContact O-N 3.19Å; M118-S121 WeakPolarHBondContact O-CB 3.31Å; M118-S121 PolarHBondContact O-N 3Å; M118-R122 WeakPolarHBondContact O-CG 3.48Å; M118-R122 PolarHBondContact O-N 2.76Å; M118-R122 VanDerWaalsContact O-N 3.11Å; M118-L146 HydrophobicContact CG-CD1 3.85Å; M118-F170 HydrophobicContact SD-CE1 3.71Å; M118-F170 HydrophobicContact SD-CE2 4.35Å; M118-F170 HydrophobicContact SD-CZ 3.5Å; M118-F170 WeakPolarHBondContact SD-CZ 3.41Å
119S98.4Very high97.7Very high25 Ų2539.6 Ų39.618%0.17521%0.211CC..Hα-helixtrans-64.9-40.4-178.9-63.50000112A115 L116 S121 R122 N123 V124A115-S119 WeakPolarHBondContact O-CB 3.38Å; A115-S119 PolarHBondContact O-N 2.97Å; A115-S119 PolarHBondContact O-OG 2.87Å; L116-S119 PolarHBondContact O-N 3.46Å; S119-S121 VanDerWaalsContact C-N 3.31Å; S119-S121 PolarHBondContact O-N 2.91Å; S119-R122 PolarHBondContact O-N 2.74Å; S119-N123 WeakPolarHBondContact O-CA 3.28Å; S119-N123 PolarHBondContact O-N 3.39Å; S119-V124 PolarHBondContact O-N 3.45Å
120L97.5Very high97.7Very high7 Ų739.7 Ų39.74%0.03721%0.212CC..Hα-helixtrans-65.2-35.4173.4-74.5172.5000112.4L116 M118 R122 K233 V235 I282L116-L120 WeakPolarHBondContact O-CB 3.32Å; L116-L120 VanDerWaalsContact O-CG 3.27Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 3.32Å; M118-L120 PolarHBondContact O-N 3.19Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 2.94Å; L120-K233 HydrophobicContact CB-CD 4.29Å; L120-K233 PolarHBondContact O-NZ 3.09Å; L120-V235 HydrophobicContact CD1-CG2 3.59Å; L120-I282 HydrophobicContact CD2-CD1 3.85Å; L120-I282 HydrophobicContact CD2-CG1 4.18Å; L120-I282 HydrophobicContact CG-CD1 4.13Å
121S97.5Very high97.7Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-67.7-31.2177.6-162.30000111.7L117 M118 S119 G143 A144 Y205L117-S121 PolarHBondContact O-N 3.3Å; L117-S121 VanDerWaalsContact O-N 3.08Å; M118-S121 WeakPolarHBondContact O-CB 3.31Å; M118-S121 PolarHBondContact O-N 3Å; S119-S121 VanDerWaalsContact C-N 3.31Å; S119-S121 PolarHBondContact O-N 2.91Å; S121-G143 CarbonylContact O-C 3.56Å; S121-G143 WeakPolarHBondContact O-CA 3.3Å; S121-A144 PolarHBondContact O-N 2.78Å; S121-A144 PolarHBondContact OG-O 2.91Å; S121-Y205 PolarHBondContact OG-OH 2.78Å
122R97.6Very high97.7Very high155 Ų15547.8 Ų47.859%0.58525%0.248SC*.Hα-helixtrans-118.50.5-168.2-55.5-53.8-60.4-84.4-0.1115.6M118 S119 L120 V124 A144M118-R122 WeakPolarHBondContact O-CG 3.48Å; M118-R122 PolarHBondContact O-N 2.76Å; M118-R122 VanDerWaalsContact O-N 3.11Å; S119-R122 PolarHBondContact O-N 2.74Å; L120-R122 VanDerWaalsContact C-N 3.26Å; L120-R122 PolarHBondContact O-N 2.94Å; R122-V124 HydrophobicContact CB-CG2 3.85Å; R122-V124 PolarHBondContact O-N 2.85Å; R122-A144 VanDerWaalsContact CD-O 3.25Å; R122-A144 WeakPolarHBondContact CD-O 3.5Å
123N96.8Very high97.6Very high36 Ų3652.5 Ų52.519%0.19327%0.27CS..THydrogen-bonded Turntrans55.833.5-178.2-49.5-68.6000113.8S119 Q126 A127 F141 M142S119-N123 WeakPolarHBondContact O-CA 3.28Å; S119-N123 PolarHBondContact O-N 3.39Å; N123-Q126 PolarHBondContact O-N 2.75Å; N123-A127 WeakPolarHBondContact O-CB 3.2Å; N123-A127 PolarHBondContact O-N 3.25Å; N123-F141 HydrophobicContact CB-CB 4.4Å; N123-F141 HydrophobicContact CB-CD1 4.01Å; N123-M142 PolarHBondContact ND2-O 3.32Å
124V97.4Very high97.6Very high70 Ų7055.8 Ų55.842%0.42430%0.304SS..Hα-helixtrans-59.4-48.2-169.1172.50000112.8S119 R122 Q126 A127 T128S119-V124 PolarHBondContact O-N 3.45Å; R122-V124 HydrophobicContact CB-CG2 3.85Å; R122-V124 PolarHBondContact O-N 2.85Å; V124-Q126 PolarHBondContact O-N 3.15Å; V124-A127 PolarHBondContact O-N 2.9Å; V124-T128 WeakPolarHBondContact O-CB 3.47Å; V124-T128 PolarHBondContact O-N 3.48Å; V124-T128 PolarHBondContact O-OG1 2.76Å
125P96.6Very high97.5Very high51 Ų5158.8 Ų58.833%0.33132%0.319SS..Hα-helixtrans-63.2-43.6-179.8-25.837.6000112.8T128 M129 I282P125-T128 PolarHBondContact O-N 2.89Å; P125-M129 WeakPolarHBondContact O-CB 3.4Å; P125-M129 PolarHBondContact O-N 3.47Å; P125-I282 HydrophobicContact CG-CD1 3.83Å; P125-I282 HydrophobicContact CG-CG1 4.05Å; P125-I282 HydrophobicContact CG-CG2 3.88Å
126Q95.8Very high97.4Very high43 Ų4366.4 Ų66.420%0.20134%0.34CS..Hα-helixtrans-65-44.8179.7-63.287.5-22.300111.4N123 V124 T128 M129 S130 F141 P279N123-Q126 PolarHBondContact O-N 2.75Å; V124-Q126 PolarHBondContact O-N 3.15Å; Q126-T128 VanDerWaalsContact C-N 3.34Å; Q126-T128 PolarHBondContact O-N 2.86Å; Q126-M129 PolarHBondContact O-N 3.21Å; Q126-S130 WeakPolarHBondContact O-CB 3.49Å; Q126-S130 PolarHBondContact O-N 2.85Å; Q126-F141 HydrophobicContact CB-CD1 4.48Å; Q126-F141 HydrophobicContact CB-CE1 3.84Å; Q126-P279 PolarHBondContact NE2-O 3.13Å
127A97.1Very high97Very high27 Ų2768.8 Ų68.822%0.22335%0.353CS..Hα-helixtrans-63.4-40.6176.200000111.9N123 V124 S130 M131 F141N123-A127 WeakPolarHBondContact O-CB 3.2Å; N123-A127 PolarHBondContact O-N 3.25Å; V124-A127 PolarHBondContact O-N 2.9Å; A127-S130 WeakPolarHBondContact O-CB 3.05Å; A127-S130 PolarHBondContact O-N 2.99Å; A127-M131 WeakPolarHBondContact O-CG 3.23Å; A127-M131 PolarHBondContact O-N 3.2Å; A127-F141 HydrophobicContact CB-CB 4.38Å; A127-F141 HydrophobicContact CB-CD1 4.32Å; A127-F141 HydrophobicContact CB-CD2 3.76Å; A127-F141 HydrophobicContact CB-CE2 4.05Å; A127-F141 HydrophobicContact CB-CG 3.9Å; A127-F141 HydrophobicContact CB-CZ 4.46Å
128T97.3Very high96.8Very high65 Ų6579 Ų7940%0.39939%0.391SS..Hα-helixtrans-62.8-43.9175.7-59.70000111.4V124 P125 Q126 S130 M131 K132V124-T128 WeakPolarHBondContact O-CB 3.47Å; V124-T128 PolarHBondContact O-N 3.48Å; V124-T128 PolarHBondContact O-OG1 2.76Å; P125-T128 PolarHBondContact O-N 2.89Å; Q126-T128 VanDerWaalsContact C-N 3.34Å; Q126-T128 PolarHBondContact O-N 2.86Å; T128-S130 VanDerWaalsContact C-N 3.35Å; T128-M131 PolarHBondContact O-N 2.84Å; T128-K132 HydrophobicContact CG2-CD 4.42Å; T128-K132 WeakPolarHBondContact O-CG 3.47Å; T128-K132 PolarHBondContact O-N 2.88Å
129M95.8Very high96.5Very high106 Ų10685.4 Ų85.452%0.52242%0.417SS..Hα-helixtrans-62.4-43.7177.1-171.861.973.100111.4P125 Q126 M131 K132 Q133P125-M129 WeakPolarHBondContact O-CB 3.4Å; P125-M129 PolarHBondContact O-N 3.47Å; Q126-M129 PolarHBondContact O-N 3.21Å; M129-M131 PolarHBondContact O-N 2.8Å; M129-K132 PolarHBondContact O-N 2.93Å; M129-Q133 WeakPolarHBondContact O-CG 3.45Å; M129-Q133 PolarHBondContact O-N 3.38Å; M129-Q133 VanDerWaalsContact O-N 3.07Å
130S96.8Very high96.2Very high7 Ų791.1 Ų91.15%0.04944%0.439CS..Hα-helixtrans-57.2-46.2175.4-177.40000112.3Q126 A127 T128 Q133 G134 N135 D137Q126-S130 WeakPolarHBondContact O-CB 3.49Å; Q126-S130 PolarHBondContact O-N 2.85Å; A127-S130 WeakPolarHBondContact O-CB 3.05Å; A127-S130 PolarHBondContact O-N 2.99Å; T128-S130 VanDerWaalsContact C-N 3.35Å; S130-Q133 PolarHBondContact O-N 2.86Å; S130-G134 PolarHBondContact O-N 3.28Å; S130-N135 WeakPolarHBondContact O-CB 3.38Å; S130-N135 PolarHBondContact O-N 3.46Å; S130-N135 WeakPolarHBondContact OG-CB 3.04Å; S130-D137 PolarHBondContact OG-OD2 3.16Å
131M97.9Very high96.1Very high97 Ų9792.9 Ų92.948%0.47845%0.446SS..Hα-helixtrans-61.9-42.3176.4-76.9-63.1-57.900112.4A127 T128 M129 Q133 G134 N135 W136A127-M131 WeakPolarHBondContact O-CG 3.23Å; A127-M131 PolarHBondContact O-N 3.2Å; T128-M131 PolarHBondContact O-N 2.84Å; M129-M131 PolarHBondContact O-N 2.8Å; M131-Q133 PolarHBondContact O-N 2.95Å; M131-G134 PolarHBondContact O-N 3.33Å; M131-N135 VanDerWaalsContact SD-O 3.39Å; M131-W136 HydrophobicContact CE-CE3 3.67Å; M131-W136 HydrophobicContact CE-CZ3 3.51Å; M131-W136 HydrophobicContact SD-CD2 4.48Å; M131-W136 HydrophobicContact SD-CE3 3.45Å; M131-W136 HydrophobicContact SD-CZ3 3.7Å
132K97.9Very high95.9Very high168 Ų168100.4 Ų100.473%0.7348%0.483SS*.Hα-helixtrans-64.5-25.1176.7-73.7179.2176.9-177.40113.1T128 M129 G134T128-K132 HydrophobicContact CG2-CD 4.42Å; T128-K132 WeakPolarHBondContact O-CG 3.47Å; T128-K132 PolarHBondContact O-N 2.88Å; M129-K132 PolarHBondContact O-N 2.93Å; K132-G134 VanDerWaalsContact C-N 3.27Å
133Q97.4Very high95.8Very high130 Ų13094.6 Ų94.661%0.60747%0.472SS*.THydrogen-bonded Turntrans-83.6-0.6173.6-67.8170.2-0.500113.1M129 S130 M131M129-Q133 WeakPolarHBondContact O-CG 3.45Å; M129-Q133 PolarHBondContact O-N 3.38Å; M129-Q133 VanDerWaalsContact O-N 3.07Å; S130-Q133 PolarHBondContact O-N 2.86Å; M131-Q133 PolarHBondContact O-N 2.95Å
134G97.6Very high95.7Very high69 Ų6994.6 Ų94.671%0.71148%0.477SS*.THydrogen-bonded Turntrans87.38.3179.700000114.9S130 M131 K132S130-G134 PolarHBondContact O-N 3.28Å; M131-G134 PolarHBondContact O-N 3.33Å; K132-G134 VanDerWaalsContact C-N 3.27Å
135N97.5Very high95.8Very high69 Ų6998.5 Ų98.537%0.36949%0.491SS..  trans-89.5149.2-179.2-59-44.7000111.9S130 M131S130-N135 WeakPolarHBondContact O-CB 3.38Å; S130-N135 PolarHBondContact O-N 3.46Å; S130-N135 WeakPolarHBondContact OG-CB 3.04Å; M131-N135 VanDerWaalsContact SD-O 3.39Å
136W96Very high95.8Very high197 Ų19796.9 Ų96.975%0.74648%0.479SS*.  trans-119.265.3175.7-168.5-99.4000112M131 R138M131-W136 HydrophobicContact CE-CE3 3.67Å; M131-W136 HydrophobicContact CE-CZ3 3.51Å; M131-W136 HydrophobicContact SD-CD2 4.48Å; M131-W136 HydrophobicContact SD-CE3 3.45Å; M131-W136 HydrophobicContact SD-CZ3 3.7Å; W136-R138 VanDerWaalsContact C-N 3.34Å; W136-R138 PolarHBondContact O-N 2.98Å; W136-R138 VanDerWaalsContact O-N 3.09Å
137D91.5Very high96Very high56 Ų56103.2 Ų103.230%0.29950%0.502SS..  trans-87.849-167.9-73.3-11.6000114.3S130 K139 K140 F141S130-D137 PolarHBondContact OG-OD2 3.16Å; D137-K139 VanDerWaalsContact C-N 3.26Å; D137-K139 PolarHBondContact O-N 3.07Å; D137-K139 VanDerWaalsContact O-N 3.11Å; D137-K140 HydrophobicContact CB-CB 3.89Å; D137-K140 HydrophobicContact CB-CD 4.02Å; D137-K140 WeakPolarHBondContact O-CB 3.49Å; D137-K140 PolarHBondContact O-N 3.31Å; D137-K140 WeakPolarHBondContact OD2-CD 3.28Å; D137-K140 IonicContact OD2-NZ 2.64Å; D137-F141 HydrophobicContact CB-CD2 4.13Å; D137-F141 HydrophobicContact CB-CE2 3.66Å; D137-F141 HydrophobicContact CB-CZ 4.49Å; D137-F141 WeakPolarHBondContact O-CD2 3.3Å
138R93.4Very high96Very high215 Ų215104.3 Ų104.381%0.81152%0.517SS*.THydrogen-bonded Turntrans-53.8-38.5-174.5-176.8178.3173.4-172.8-0.8114.1W136W136-R138 VanDerWaalsContact C-N 3.34Å; W136-R138 PolarHBondContact O-N 2.98Å; W136-R138 VanDerWaalsContact O-N 3.09Å
139K92.4Very high96.1Very high201 Ų201105 Ų10587%0.87451%0.514SS*.THydrogen-bonded Turntrans-73.8-25.8-178.2-68.8-178.2179.5178.50113.2D137D137-K139 VanDerWaalsContact C-N 3.26Å; D137-K139 PolarHBondContact O-N 3.07Å; D137-K139 VanDerWaalsContact O-N 3.11Å
140K93.3Very high96.3Very high145 Ų145101 Ų10163%0.6350%0.496SS*.THydrogen-bonded Turntrans-72.4-36.5-176.4-175.5178.4174.3178.50112.1D137 M142D137-K140 HydrophobicContact CB-CB 3.89Å; D137-K140 HydrophobicContact CB-CD 4.02Å; D137-K140 WeakPolarHBondContact O-CB 3.49Å; D137-K140 PolarHBondContact O-N 3.31Å; D137-K140 WeakPolarHBondContact OD2-CD 3.28Å; D137-K140 IonicContact OD2-NZ 2.64Å; K140-M142 PolarHBondContact O-N 3.42Å
141F93.8Very high96.4Very high43 Ų43100.7 Ų100.719%0.18949%0.494CS..  trans-98.448.3-172-56.9-62.4000112.9N123 Q126 A127 D137 G143N123-F141 HydrophobicContact CB-CB 4.4Å; N123-F141 HydrophobicContact CB-CD1 4.01Å; Q126-F141 HydrophobicContact CB-CD1 4.48Å; Q126-F141 HydrophobicContact CB-CE1 3.84Å; A127-F141 HydrophobicContact CB-CB 4.38Å; A127-F141 HydrophobicContact CB-CD1 4.32Å; A127-F141 HydrophobicContact CB-CD2 3.76Å; A127-F141 HydrophobicContact CB-CE2 4.05Å; A127-F141 HydrophobicContact CB-CG 3.9Å; A127-F141 HydrophobicContact CB-CZ 4.46Å; D137-F141 HydrophobicContact CB-CD2 4.13Å; D137-F141 HydrophobicContact CB-CE2 3.66Å; D137-F141 HydrophobicContact CB-CZ 4.49Å; D137-F141 WeakPolarHBondContact O-CD2 3.3Å; F141-G143 PolarHBondContact O-N 2.9Å
142M94.4Very high96.4Very high158 Ų15896.1 Ų96.178%0.77847%0.471SS*.  trans-64.8120.6171.2-170.164.772.900109.5N123 K140N123-M142 PolarHBondContact ND2-O 3.32Å; K140-M142 PolarHBondContact O-N 3.42Å
143G94.8Very high96.4Very high34 Ų3488.1 Ų88.135%0.35144%0.436SS..  trans-98.1-174.6-179.800000113.2S121 F141S121-G143 CarbonylContact O-C 3.56Å; S121-G143 WeakPolarHBondContact O-CA 3.3Å; F141-G143 PolarHBondContact O-N 2.9Å
144A95.9Very high96.5Very high36 Ų3681.9 Ų81.930%0.29841%0.407SS..  trans-120.8161.5170.800000110.9S121 R122S121-A144 PolarHBondContact O-N 2.78Å; S121-A144 PolarHBondContact OG-O 2.91Å; R122-A144 VanDerWaalsContact CD-O 3.25Å; R122-A144 WeakPolarHBondContact CD-O 3.5Å
145E97.9Very high96.5Very high151 Ų15178.7 Ų78.771%0.70637%0.374SS*.  trans-87.6146.6166.9-66.8-178.195.400110K149E145-K149 VanDerWaalsContact O-CG 3.3Å; E145-K149 WeakPolarHBondContact O-CG 3.29Å
146L98.4Very high96.5Very high17 Ų1775.6 Ų75.69%0.08936%0.358CS..  trans-83.9-28.4170.3-65.9177.3000111.5M118 G148 K149 M167 M172 Y205M118-L146 HydrophobicContact CG-CD1 3.85Å; L146-G148 PolarHBondContact O-N 3.45Å; L146-K149 VanDerWaalsContact O-CB 3.24Å; L146-K149 WeakPolarHBondContact O-CB 3.47Å; L146-K149 WeakPolarHBondContact O-CG 3.35Å; L146-K149 PolarHBondContact O-N 2.94Å; L146-M167 HydrophobicContact CD1-CE 3.68Å; L146-M172 HydrophobicContact CB-CG 4.06Å; L146-M172 HydrophobicContact CB-SD 4.07Å; L146-M172 HydrophobicContact CD1-SD 4.49Å; L146-M172 HydrophobicContact CD2-CE 4.22Å; L146-M172 HydrophobicContact CD2-SD 4.11Å; L146-M172 HydrophobicContact CG-SD 4.45Å; L146-M172 VanDerWaalsContact O-CG 3.31Å; L146-M172 WeakPolarHBondContact O-CG 3.49Å; L146-Y205 HydrophobicContact CD2-CD2 4.39Å; L146-Y205 HydrophobicContact CD2-CE1 4.11Å; L146-Y205 HydrophobicContact CD2-CE2 3.77Å
147Y98.6Very high96.4Very high176 Ų17667.9 Ų67.969%0.6934%0.34SS*.THydrogen-bonded Turntrans-55.2129.8179.9-177.3-92.8000111.5K149Y147-K149 PolarHBondContact O-N 3.45Å
148G98.3Very high96.6Very high51 Ų5172.8 Ų72.853%0.52635%0.354SS..THydrogen-bonded Turntrans73.23.6-178.600000115.3L146 G171L146-G148 PolarHBondContact O-N 3.45Å; G148-G171 PolarHBondContact N-O 2.89Å
149K98.8Very high96.8Very high78 Ų7864.4 Ų64.434%0.33933%0.325SS..PPolyproline II helixtrans-86.2155174.6-61-64.7-179.9-175.50111.7E145 L146 Y147 M172 T173 D204 Y205E145-K149 VanDerWaalsContact O-CG 3.3Å; E145-K149 WeakPolarHBondContact O-CG 3.29Å; L146-K149 VanDerWaalsContact O-CB 3.24Å; L146-K149 WeakPolarHBondContact O-CB 3.47Å; L146-K149 WeakPolarHBondContact O-CG 3.35Å; L146-K149 PolarHBondContact O-N 2.94Å; Y147-K149 PolarHBondContact O-N 3.45Å; K149-M172 HydrophobicContact CB-CE 3.95Å; K149-M172 CarbonylContact O-C 3.59Å; K149-M172 VanDerWaalsContact O-CA 3.3Å; K149-M172 WeakPolarHBondContact O-CA 3.36Å; K149-M172 WeakPolarHBondContact O-CB 3.45Å; K149-T173 PolarHBondContact O-N 3.14Å; K149-D204 WeakPolarHBondContact CA-OD2 3.33Å; K149-D204 HydrophobicContact CB-CB 4.17Å; K149-D204 HydrophobicContact CD-CB 4.12Å; K149-D204 WeakPolarHBondContact CD-OD2 3.21Å; K149-Y205 HydrophobicContact CB-CD2 4.31Å; K149-Y205 HydrophobicContact CB-CE2 4.19Å; K149-Y205 HydrophobicContact CG-CE2 4.25Å
150V98.9Very high97Very high24 Ų2454.8 Ų54.815%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-95.8124.5177.8-177.50000110.4T173 I175 Q202 D204 Y205V150-T173 CarbonylContact C-O 3.51Å; V150-T173 WeakPolarHBondContact CA-O 3.21Å; V150-I175 HydrophobicContact CG1-CD1 3.66Å; V150-I175 HydrophobicContact CG1-CG1 3.84Å; V150-Q202 WeakPolarHBondContact CB-O 3.08Å; V150-Q202 WeakPolarHBondContact CG1-O 3.1Å; V150-D204 PolarHBondContact N-OD2 2.87Å; V150-D204 PolarHBondContact O-N 3.19Å; V150-Y205 PolarHBondContact O-N 2.95Å
151L98.9Very high97.2Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-103.8116.9170.3179.162.3000110L117 I153 V163 M167 M172 T173 T174 I175 Y205 T207L117-L151 HydrophobicContact CD1-CD1 4.17Å; L117-L151 HydrophobicContact CD1-CD2 4.03Å; L117-L151 HydrophobicContact CD2-CD1 4.04Å; L151-I153 HydrophobicContact CD2-CD1 4.15Å; L151-I153 HydrophobicContact CD2-CG1 4.07Å; L151-I153 HydrophobicContact CG-CD1 4.44Å; L151-I153 HydrophobicContact CG-CG1 3.89Å; L151-V163 HydrophobicContact CD2-CG1 4.17Å; L151-M167 HydrophobicContact CD2-CB 3.8Å; L151-M167 HydrophobicContact CD2-CG 3.71Å; L151-M172 HydrophobicContact CB-CE 3.7Å; L151-M172 HydrophobicContact CB-SD 4.32Å; L151-T173 PolarHBondContact N-O 3.43Å; L151-T174 HydrophobicContact CB-CG2 4.45Å; L151-T174 HydrophobicContact CD2-CG2 4.48Å; L151-T174 WeakPolarHBondContact O-CA 3.47Å; L151-I175 PolarHBondContact O-N 3.25Å; L151-Y205 WeakPolarHBondContact CA-O 3.33Å; L151-T207 HydrophobicContact CD1-CG2 4.05Å; L151-T207 HydrophobicContact CG-CG2 4.46Å
152G98.8Very high97.5Very high0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-83.6125.9165.900000111.5I175 C203 Y205 I206 T207G152-I175 CarbonylContact C-O 3.49Å; G152-I175 WeakPolarHBondContact CA-O 3.46Å; G152-C203 WeakPolarHBondContact CA-SG 3.28Å; G152-Y205 PolarHBondContact N-O 3.21Å; G152-I206 CarbonylContact O-C 3.52Å; G152-I206 WeakPolarHBondContact O-CA 3.49Å; G152-T207 PolarHBondContact O-N 2.89Å
153I98.9Very high97.7Very high0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-115.1110.1179.8-52.8178.5000108.6L151 L156 A164 T174 I175 G176 Y177 T207L151-I153 HydrophobicContact CD2-CD1 4.15Å; L151-I153 HydrophobicContact CD2-CG1 4.07Å; L151-I153 HydrophobicContact CG-CD1 4.44Å; L151-I153 HydrophobicContact CG-CG1 3.89Å; I153-L156 HydrophobicContact CB-CD2 4.02Å; I153-L156 HydrophobicContact CG2-CD2 3.84Å; I153-A164 HydrophobicContact CD1-CB 3.48Å; I153-A164 VanDerWaalsContact CD1-CB 3.48Å; I153-T174 HydrophobicContact CD1-CG2 4.16Å; I153-I175 PolarHBondContact N-O 3.24Å; I153-G176 CarbonylContact O-C 3.54Å; I153-G176 WeakPolarHBondContact O-CA 3.24Å; I153-Y177 PolarHBondContact O-N 3.16Å; I153-T207 HydrophobicContact CB-CG2 4.32Å; I153-T207 HydrophobicContact CG1-CG2 3.99Å; I153-T207 HydrophobicContact CG2-CG2 4.18Å
154V98.6Very high97.9Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-100.5107.6-178.8-1730000108.4Y177 L196 L199 W200 I206 T207 V208 H209 T210 L219V154-Y177 HydrophobicContact CG1-CD1 4.33Å; V154-L196 HydrophobicContact CG1-CD2 4.2Å; V154-L199 HydrophobicContact CG2-CD2 4.37Å; V154-W200 HydrophobicContact CG2-CH2 3.68Å; V154-W200 HydrophobicContact CG2-CZ3 3.69Å; V154-I206 HydrophobicContact CG2-CG2 4.19Å; V154-T207 PolarHBondContact N-O 3.12Å; V154-V208 HydrophobicContact CB-CG1 4.22Å; V154-V208 CarbonylContact O-C 3.57Å; V154-H209 PolarHBondContact O-N 2.88Å; V154-T210 HydrophobicContact CG1-CG2 4.18Å; V154-L219 HydrophobicContact CG1-CD2 3.48Å; V154-L219 VanDerWaalsContact CG1-CD2 3.48Å
155G97.8Very high98Very high2 Ų244.1 Ų44.12%0.02122%0.222CC..  trans98.7108.8-165.100000111.3Y177G155-Y177 PolarHBondContact N-O 3.1Å
156L97.6Very high98Very high3 Ų340.2 Ų40.22%0.01620%0.201CC..  trans-109.727.1-174.5-60.5176.4000112.5I153 D178 T181 V191 Q193I153-L156 HydrophobicContact CB-CD2 4.02Å; I153-L156 HydrophobicContact CG2-CD2 3.84Å; L156-D178 HydrophobicContact CB-CB 3.66Å; L156-D178 HydrophobicContact CD1-CB 3.98Å; L156-D178 HydrophobicContact CG-CB 3.81Å; L156-D178 PolarHBondContact N-OD2 2.67Å; L156-T181 HydrophobicContact CB-CG2 4.33Å; L156-V191 HydrophobicContact CD1-CG1 4.26Å; L156-V191 HydrophobicContact CD2-CG1 3.9Å; L156-Q193 HydrophobicContact CD1-CG 3.34Å
157G94.6Very high98Very high36 Ų3639.4 Ų39.437%0.37120%0.196SC..SBendtrans-69.8-163.3168.400000113.2I159 G160 K161G157-I159 PolarHBondContact O-N 2.82Å; G157-G160 PolarHBondContact O-N 2.67Å; G157-K161 PolarHBondContact O-N 3.41Å
158R94.6Very high98Very high159 Ų15933.8 Ų33.860%0.618%0.177SC*.Hα-helixtrans-52.2-48.9-174.1-62.7-179-179.579.44.3113.5T106 E162T106-R158 HydrophobicContact CG2-CB 3.74Å; R158-E162 WeakPolarHBondContact O-CG 3.36Å; R158-E162 PolarHBondContact O-N 2.85Å
159I97.1Very high98Very high38 Ų3835.7 Ų35.720%0.19519%0.187CC..Hα-helixtrans-70.5-45.5-178-61.5169.4000110.8T106 A109 A110 G157 K161 E162 V163 H209T106-I159 HydrophobicContact CG2-CG1 4.15Å; A109-I159 HydrophobicContact CB-CD1 3.77Å; A109-I159 HydrophobicContact CB-CG1 4.3Å; A109-I159 HydrophobicContact CB-CG2 4.37Å; A110-I159 HydrophobicContact CB-CG2 4.22Å; G157-I159 PolarHBondContact O-N 2.82Å; I159-K161 VanDerWaalsContact C-N 3.28Å; I159-K161 PolarHBondContact O-N 3.02Å; I159-E162 PolarHBondContact O-N 3.32Å; I159-E162 VanDerWaalsContact O-N 3.1Å; I159-V163 HydrophobicContact CG2-CG2 4.19Å; I159-V163 WeakPolarHBondContact O-CG2 3.5Å; I159-V163 PolarHBondContact O-N 2.76Å; I159-H209 WeakPolarHBondContact CG2-ND1 3.14Å
160G97.9Very high98Very high0 Ų036.7 Ų36.70%019%0.192CC..Hα-helixtrans-57.6-41.1179.100000112.4G157 V163 A164G157-G160 PolarHBondContact O-N 2.67Å; G160-V163 PolarHBondContact O-N 3.06Å; G160-A164 WeakPolarHBondContact O-CB 3.28Å; G160-A164 PolarHBondContact O-N 3.02Å
161K97.9Very high98Very high78 Ų7836.9 Ų36.934%0.33920%0.199SC..Hα-helixtrans-58.5-51.6172178.1-177.2176.51790112.2G157 I159 V163 A164 T165 W189G157-K161 PolarHBondContact O-N 3.41Å; I159-K161 VanDerWaalsContact C-N 3.28Å; I159-K161 PolarHBondContact O-N 3.02Å; K161-V163 VanDerWaalsContact C-N 3.3Å; K161-V163 PolarHBondContact O-N 3.03Å; K161-A164 WeakPolarHBondContact O-CB 3.27Å; K161-A164 PolarHBondContact O-N 2.82Å; K161-T165 PolarHBondContact O-N 3Å; K161-T165 PolarHBondContact O-OG1 3.15Å; K161-W189 HydrophobicContact CB-CZ2 4.32Å; K161-W189 HydrophobicContact CD-CD2 3.92Å; K161-W189 HydrophobicContact CD-CE3 3.87Å; K161-W189 HydrophobicContact CD-CH2 4Å; K161-W189 HydrophobicContact CD-CZ2 4.13Å; K161-W189 HydrophobicContact CD-CZ3 3.93Å; K161-W189 HydrophobicContact CG-CD2 3.91Å; K161-W189 HydrophobicContact CG-CE3 4.38Å; K161-W189 HydrophobicContact CG-CG 4.11Å; K161-W189 HydrophobicContact CG-CZ2 4.27Å
162E98.4Very high98Very high49 Ų4937.2 Ų37.223%0.22920%0.201CC..Hα-helixtrans-63-36.3-178.6-69.8-62135.500112.5T106 I107 A110 R158 I159 R166T106-E162 HydrophobicContact CG2-CG 3.88Å; I107-E162 HydrophobicContact CD1-CG 4.03Å; I107-E162 WeakPolarHBondContact CD1-OE2 3.35Å; A110-E162 HydrophobicContact CB-CB 3.58Å; R158-E162 WeakPolarHBondContact O-CG 3.36Å; R158-E162 PolarHBondContact O-N 2.85Å; I159-E162 PolarHBondContact O-N 3.32Å; I159-E162 VanDerWaalsContact O-N 3.1Å; E162-R166 WeakPolarHBondContact O-CG 3.38Å; E162-R166 PolarHBondContact O-N 3.26Å; E162-R166 PolarHBondContact O-NH1 3.32Å; E162-R166 IonicContact OE2-CZ 3.85Å; E162-R166 VanDerWaalsContact OE2-CZ 3.29Å; E162-R166 IonicContact OE2-NH1 2.85Å; E162-R166 PolarHBondContact OE2-NH1 2.78Å; E162-R166 IonicContact OE2-NH2 2.93Å; E162-R166 PolarHBondContact OE2-NH2 3.1Å
163V98.8Very high98Very high0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-66.3-46.1173.3173.40000110.5A110 T113 L117 L151 I159 G160 K161 T165 R166 M167 T207A110-V163 HydrophobicContact CB-CG2 3.81Å; T113-V163 HydrophobicContact CG2-CG1 4.05Å; T113-V163 HydrophobicContact CG2-CG2 3.87Å; L117-V163 HydrophobicContact CD1-CG1 4.42Å; L151-V163 HydrophobicContact CD2-CG1 4.17Å; I159-V163 HydrophobicContact CG2-CG2 4.19Å; I159-V163 WeakPolarHBondContact O-CG2 3.5Å; I159-V163 PolarHBondContact O-N 2.76Å; G160-V163 PolarHBondContact O-N 3.06Å; K161-V163 VanDerWaalsContact C-N 3.3Å; K161-V163 PolarHBondContact O-N 3.03Å; V163-T165 PolarHBondContact O-N 3.1Å; V163-R166 PolarHBondContact O-N 2.91Å; V163-M167 HydrophobicContact CG1-CG 4.16Å; V163-M167 WeakPolarHBondContact O-CB 3.45Å; V163-M167 WeakPolarHBondContact O-CG 3.27Å; V163-M167 PolarHBondContact O-N 3.22Å; V163-T207 HydrophobicContact CG1-CG2 4.22Å
164A98.7Very high98Very high0 Ų041.3 Ų41.30%023%0.226CC..Hα-helixtrans-56.2-54.3178.600000111.7I153 G160 K161 R166 M167 Q168 T174 V191I153-A164 HydrophobicContact CD1-CB 3.48Å; I153-A164 VanDerWaalsContact CD1-CB 3.48Å; G160-A164 WeakPolarHBondContact O-CB 3.28Å; G160-A164 PolarHBondContact O-N 3.02Å; K161-A164 WeakPolarHBondContact O-CB 3.27Å; K161-A164 PolarHBondContact O-N 2.82Å; A164-R166 VanDerWaalsContact C-N 3.29Å; A164-R166 PolarHBondContact O-N 3.45Å; A164-M167 PolarHBondContact O-N 3.02Å; A164-M167 VanDerWaalsContact O-N 3.12Å; A164-Q168 WeakPolarHBondContact O-CB 3.39Å; A164-Q168 WeakPolarHBondContact O-CG 3.32Å; A164-Q168 PolarHBondContact O-N 2.89Å; A164-T174 HydrophobicContact CB-CG2 4.29Å; A164-V191 HydrophobicContact CB-CG2 3.47Å; A164-V191 VanDerWaalsContact CB-CG2 3.47Å
165T98.3Very high98Very high65 Ų6541.5 Ų41.540%0.39923%0.227SC..Hα-helixtrans-57.8-41.2-178.9-58.50000112.1K161 V163K161-T165 PolarHBondContact O-N 3Å; K161-T165 PolarHBondContact O-OG1 3.15Å; V163-T165 PolarHBondContact O-N 3.1Å
166R98.6Very high98Very high68 Ų6841.4 Ų41.426%0.25723%0.226SC..Hα-helixtrans-68.2-43.2177-78165.4-173.467.2-2.2111.7E162 V163 A164 A169 F170E162-R166 WeakPolarHBondContact O-CG 3.38Å; E162-R166 PolarHBondContact O-N 3.26Å; E162-R166 PolarHBondContact O-NH1 3.32Å; E162-R166 IonicContact OE2-CZ 3.85Å; E162-R166 VanDerWaalsContact OE2-CZ 3.29Å; E162-R166 IonicContact OE2-NH1 2.85Å; E162-R166 PolarHBondContact OE2-NH1 2.78Å; E162-R166 IonicContact OE2-NH2 2.93Å; E162-R166 PolarHBondContact OE2-NH2 3.1Å; V163-R166 PolarHBondContact O-N 2.91Å; A164-R166 VanDerWaalsContact C-N 3.29Å; A164-R166 PolarHBondContact O-N 3.45Å; R166-A169 WeakPolarHBondContact O-CB 3.49Å; R166-A169 PolarHBondContact O-N 3.38Å; R166-F170 WeakPolarHBondContact O-CD2 3.42Å
167M98.7Very high98Very high0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-76.2-27.3-175.5-63.8-38.8-48.700114C114 L117 L146 L151 V163 A164 A169 F170 M172C114-M167 HydrophobicContact CB-SD 3.91Å; L117-M167 HydrophobicContact CD1-CG 3.9Å; L117-M167 HydrophobicContact CD1-SD 4.18Å; L146-M167 HydrophobicContact CD1-CE 3.68Å; L151-M167 HydrophobicContact CD2-CB 3.8Å; L151-M167 HydrophobicContact CD2-CG 3.71Å; V163-M167 HydrophobicContact CG1-CG 4.16Å; V163-M167 WeakPolarHBondContact O-CB 3.45Å; V163-M167 WeakPolarHBondContact O-CG 3.27Å; V163-M167 PolarHBondContact O-N 3.22Å; A164-M167 PolarHBondContact O-N 3.02Å; A164-M167 VanDerWaalsContact O-N 3.12Å; M167-A169 PolarHBondContact O-N 3.49Å; M167-F170 HydrophobicContact CE-CB 3.86Å; M167-F170 HydrophobicContact CE-CD2 3.63Å; M167-F170 HydrophobicContact CE-CE2 4.35Å; M167-F170 HydrophobicContact CE-CG 3.8Å; M167-F170 WeakPolarHBondContact O-CB 3.39Å; M167-F170 PolarHBondContact O-N 3.07Å; M167-F170 VanDerWaalsContact O-N 3.1Å; M167-F170 HydrophobicContact SD-CD2 4.26Å; M167-M172 HydrophobicContact CB-CB 4.45Å; M167-M172 HydrophobicContact CB-SD 3.99Å; M167-M172 HydrophobicContact CE-CG 4.48Å; M167-M172 HydrophobicContact CE-SD 3.65Å; M167-M172 HydrophobicContact CG-SD 4.39Å; M167-M172 WeakPolarHBondContact O-CB 3.4Å; M167-M172 PolarHBondContact O-N 3.19Å
168Q98.6Very high98.1Very high58 Ų5844 Ų4427%0.27123%0.226SC..Hα-helixtrans-60.2-35.3167.4-71.7162.7-4.800111.8A164 F170 G171 T174 W189 G190A164-Q168 WeakPolarHBondContact O-CB 3.39Å; A164-Q168 WeakPolarHBondContact O-CG 3.32Å; A164-Q168 PolarHBondContact O-N 2.89Å; Q168-F170 PolarHBondContact O-N 2.85Å; Q168-G171 WeakPolarHBondContact O-CA 3.39Å; Q168-G171 PolarHBondContact O-N 2.91Å; Q168-T174 HydrophobicContact CG-CG2 3.81Å; Q168-T174 PolarHBondContact NE2-OG1 2.92Å; Q168-W189 PolarHBondContact NE2-O 3.01Å; Q168-W189 PolarHBondContact OE1-O 3.45Å; Q168-G190 PolarHBondContact NE2-O 3.34Å; Q168-G190 VanDerWaalsContact NE2-O 3.07Å
169A98.3Very high98.1Very high91 Ų9141.3 Ų41.375%0.75223%0.229SC*.Hα-helixtrans-66.7-20.9175.600000113.4R166 M167 G171R166-A169 WeakPolarHBondContact O-CB 3.49Å; R166-A169 PolarHBondContact O-N 3.38Å; M167-A169 PolarHBondContact O-N 3.49Å; A169-G171 VanDerWaalsContact C-N 3.25Å
170F98.2Very high97.9Very high99 Ų9946.4 Ų46.443%0.43426%0.255SS..THydrogen-bonded Turntrans-84.43.4169-74.2-96.6000113M118 R166 M167 Q168M118-F170 HydrophobicContact SD-CE1 3.71Å; M118-F170 HydrophobicContact SD-CE2 4.35Å; M118-F170 HydrophobicContact SD-CZ 3.5Å; M118-F170 WeakPolarHBondContact SD-CZ 3.41Å; R166-F170 WeakPolarHBondContact O-CD2 3.42Å; M167-F170 HydrophobicContact CE-CB 3.86Å; M167-F170 HydrophobicContact CE-CD2 3.63Å; M167-F170 HydrophobicContact CE-CE2 4.35Å; M167-F170 HydrophobicContact CE-CG 3.8Å; M167-F170 WeakPolarHBondContact O-CB 3.39Å; M167-F170 PolarHBondContact O-N 3.07Å; M167-F170 VanDerWaalsContact O-N 3.1Å; M167-F170 HydrophobicContact SD-CD2 4.26Å; Q168-F170 PolarHBondContact O-N 2.85Å
171G98.5Very high97.7Very high28 Ų2847.6 Ų47.629%0.28926%0.262SS..THydrogen-bonded Turntrans7623.3-178.400000114.1G148 Q168 A169G148-G171 PolarHBondContact N-O 2.89Å; Q168-G171 WeakPolarHBondContact O-CA 3.39Å; Q168-G171 PolarHBondContact O-N 2.91Å; A169-G171 VanDerWaalsContact C-N 3.25Å
172M98.8Very high97.6Very high8 Ų846.4 Ų46.44%0.03926%0.263CS..  trans-79.4145.1170.4-63.2-171.480.800110.9L146 K149 L151 M167 Y205L146-M172 HydrophobicContact CB-CG 4.06Å; L146-M172 HydrophobicContact CB-SD 4.07Å; L146-M172 HydrophobicContact CD1-SD 4.49Å; L146-M172 HydrophobicContact CD2-CE 4.22Å; L146-M172 HydrophobicContact CD2-SD 4.11Å; L146-M172 HydrophobicContact CG-SD 4.45Å; L146-M172 VanDerWaalsContact O-CG 3.31Å; L146-M172 WeakPolarHBondContact O-CG 3.49Å; K149-M172 HydrophobicContact CB-CE 3.95Å; K149-M172 CarbonylContact O-C 3.59Å; K149-M172 VanDerWaalsContact O-CA 3.3Å; K149-M172 WeakPolarHBondContact O-CA 3.36Å; K149-M172 WeakPolarHBondContact O-CB 3.45Å; L151-M172 HydrophobicContact CB-CE 3.7Å; L151-M172 HydrophobicContact CB-SD 4.32Å; M167-M172 HydrophobicContact CB-CB 4.45Å; M167-M172 HydrophobicContact CB-SD 3.99Å; M167-M172 HydrophobicContact CE-CG 4.48Å; M167-M172 HydrophobicContact CE-SD 3.65Å; M167-M172 HydrophobicContact CG-SD 4.39Å; M167-M172 WeakPolarHBondContact O-CB 3.4Å; M167-M172 PolarHBondContact O-N 3.19Å; M172-Y205 HydrophobicContact CE-CD2 3.63Å; M172-Y205 HydrophobicContact CE-CE2 4.28Å; M172-Y205 HydrophobicContact CE-CG 4.16Å
173T98.8Very high97.4Very high80 Ų8047.9 Ų47.949%0.49128%0.277SS..EExtended strand (participates in β ladder)trans-81.4126.8164.3-56.70000108.5K149 V150 L151K149-T173 PolarHBondContact O-N 3.14Å; V150-T173 CarbonylContact C-O 3.51Å; V150-T173 WeakPolarHBondContact CA-O 3.21Å; L151-T173 PolarHBondContact N-O 3.43Å
174T98.7Very high97.3Very high6 Ų654.1 Ų54.14%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-107.3123.2178.752.40000111.4L151 I153 A164 Q168 G190L151-T174 HydrophobicContact CB-CG2 4.45Å; L151-T174 HydrophobicContact CD2-CG2 4.48Å; L151-T174 WeakPolarHBondContact O-CA 3.47Å; I153-T174 HydrophobicContact CD1-CG2 4.16Å; A164-T174 HydrophobicContact CB-CG2 4.29Å; Q168-T174 HydrophobicContact CG-CG2 3.81Å; Q168-T174 PolarHBondContact NE2-OG1 2.92Å; T174-G190 PolarHBondContact OG1-O 3.25Å; T174-G190 VanDerWaalsContact OG1-O 3.07Å
175I98.8Very high97.1Very high4 Ų456.7 Ų56.72%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-120.2157.1171.460.2176.6000108.7V150 L151 G152 I153 E192 M194 L199 Q202V150-I175 HydrophobicContact CG1-CD1 3.66Å; V150-I175 HydrophobicContact CG1-CG1 3.84Å; L151-I175 PolarHBondContact O-N 3.25Å; G152-I175 CarbonylContact C-O 3.49Å; G152-I175 WeakPolarHBondContact CA-O 3.46Å; I153-I175 PolarHBondContact N-O 3.24Å; I175-E192 CarbonylContact C-O 3.5Å; I175-E192 WeakPolarHBondContact CA-O 3.45Å; I175-E192 HydrophobicContact CG2-CB 4.48Å; I175-M194 HydrophobicContact CB-CE 3.8Å; I175-M194 HydrophobicContact CB-SD 4.35Å; I175-M194 HydrophobicContact CD1-CE 4.2Å; I175-M194 HydrophobicContact CD1-SD 3.91Å; I175-M194 HydrophobicContact CG2-CE 3.67Å; I175-L199 HydrophobicContact CD1-CG 4.11Å; I175-L199 HydrophobicContact CG1-CD1 4.46Å; I175-L199 HydrophobicContact CG1-CG 4.28Å; I175-Q202 HydrophobicContact CD1-CB 3.72Å
176G98.3Very high97.1Very high0 Ų053.6 Ų53.60%030%0.303CS..EExtended strand (participates in β ladder)trans-154.6170.6-174.900000116.2I153 E192 Q193 M194 L199I153-G176 CarbonylContact O-C 3.54Å; I153-G176 WeakPolarHBondContact O-CA 3.24Å; G176-E192 PolarHBondContact N-O 2.88Å; G176-Q193 VanDerWaalsContact O-CA 3.29Å; G176-Q193 WeakPolarHBondContact O-CA 3.05Å; G176-M194 PolarHBondContact O-N 3Å; G176-L199 VanDerWaalsContact C-CD1 3.46Å
177Y98.4Very high97Very high71 Ų7153.3 Ų53.328%0.27831%0.314SS..EExtended strand (participates in β ladder)trans-140.2129.9174.4170.9-94.5000109.6I153 V154 G155 P179 M194 L196I153-Y177 PolarHBondContact O-N 3.16Å; V154-Y177 HydrophobicContact CG1-CD1 4.33Å; G155-Y177 PolarHBondContact N-O 3.1Å; Y177-P179 HydrophobicContact CE1-CG 4.42Å; Y177-M194 WeakPolarHBondContact CD2-O 3.31Å; Y177-L196 HydrophobicContact CD1-CD1 4.17Å; Y177-L196 HydrophobicContact CD1-CD2 3.32Å; Y177-L196 HydrophobicContact CD1-CG 3.71Å; Y177-L196 HydrophobicContact CD2-CD2 4.02Å; Y177-L196 HydrophobicContact CD2-CG 3.91Å; Y177-L196 HydrophobicContact CE1-CD1 3.89Å; Y177-L196 HydrophobicContact CE1-CD2 3.93Å; Y177-L196 HydrophobicContact CE1-CG 3.82Å; Y177-L196 HydrophobicContact CE2-CG 4.03Å; Y177-L196 HydrophobicContact CG-CD2 3.35Å; Y177-L196 HydrophobicContact CG-CG 3.74Å
178D96.9Very high96.9Very high22 Ų2257.7 Ų57.712%0.11835%0.345CS..  trans-155121.6169.3-168.6-57.3000109.4L156 I180 T181 Q193L156-D178 HydrophobicContact CB-CB 3.66Å; L156-D178 HydrophobicContact CD1-CB 3.98Å; L156-D178 HydrophobicContact CG-CB 3.81Å; L156-D178 PolarHBondContact N-OD2 2.67Å; D178-I180 PolarHBondContact O-N 3.26Å; D178-I180 WeakPolarHBondContact OD1-CA 3.46Å; D178-I180 WeakPolarHBondContact OD1-CB 3.3Å; D178-I180 PolarHBondContact OD1-N 3.34Å; D178-T181 PolarHBondContact OD1-N 3.23Å; D178-T181 PolarHBondContact OD1-OG1 2.97Å; D178-T181 PolarHBondContact OD2-OG1 3.34Å; D178-Q193 PolarHBondContact O-OE1 3.19Å
179P93.6Very high96.9Very high102 Ų10257.1 Ų57.166%0.66234%0.341SS*.SBendtrans-75-9.5-177.729.7-33.4000113.6Y177Y177-P179 HydrophobicContact CE1-CG 4.42Å
180I92.9Very high96.8Very high146 Ų14655 Ų5575%0.74933%0.328SS*.SBendtrans-105.3-39.5-175.2-56.8173.8000110.6D178 P182D178-I180 PolarHBondContact O-N 3.26Å; D178-I180 WeakPolarHBondContact OD1-CA 3.46Å; D178-I180 WeakPolarHBondContact OD1-CB 3.3Å; D178-I180 PolarHBondContact OD1-N 3.34Å; I180-P182 WeakPolarHBondContact O-CD 3.48Å
181T93.4Very high96.8Very high24 Ų2450.4 Ų50.415%0.14731%0.307CS..SBendtrans-77.2120.7-176.5-58.50000110.7L156 D178 V185 Q193L156-T181 HydrophobicContact CB-CG2 4.33Å; D178-T181 PolarHBondContact OD1-N 3.23Å; D178-T181 PolarHBondContact OD1-OG1 2.97Å; D178-T181 PolarHBondContact OD2-OG1 3.34Å; T181-V185 HydrophobicContact CG2-CB 4.15Å; T181-V185 HydrophobicContact CG2-CG1 3.86Å; T181-Q193 PolarHBondContact O-NE2 2.96Å; T181-Q193 PolarHBondContact O-OE1 3.39Å
182P95.1Very high96.8Very high54 Ų5455.3 Ų55.335%0.35132%0.323SS..  trans-60.1141.9179.2-23.133.5000112.8I180 E184 V185 S186 Q193I180-P182 WeakPolarHBondContact O-CD 3.48Å; P182-E184 VanDerWaalsContact C-N 3.28Å; P182-E184 HydrophobicContact CB-CG 4.3Å; P182-E184 WeakPolarHBondContact CB-OE1 3.36Å; P182-E184 WeakPolarHBondContact CB-OE2 3.39Å; P182-E184 PolarHBondContact O-N 2.77Å; P182-V185 HydrophobicContact CB-CB 4.44Å; P182-V185 HydrophobicContact CB-CG2 4.07Å; P182-V185 HydrophobicContact CG-CG2 4.15Å; P182-V185 WeakPolarHBondContact O-CB 3.27Å; P182-V185 PolarHBondContact O-N 2.84Å; P182-S186 PolarHBondContact O-N 2.64Å; P182-Q193 PolarHBondContact O-NE2 3.44Å
183P95.2Very high96.8Very high80 Ų8056.9 Ų56.952%0.51933%0.33SS..Hα-helixtrans-56.2-36.8-178.6-28.536.4000114.6V185 S186 A187 Q193P183-V185 VanDerWaalsContact C-N 3.25Å; P183-V185 PolarHBondContact O-N 3.11Å; P183-S186 PolarHBondContact O-N 3.42Å; P183-S186 PolarHBondContact O-OG 2.8Å; P183-A187 VanDerWaalsContact O-CB 3.31Å; P183-A187 WeakPolarHBondContact O-CB 3.24Å; P183-A187 PolarHBondContact O-N 3.06Å; P183-Q193 HydrophobicContact CB-CB 4.49Å
184E96.2Very high96.7Very high131 Ų13154.2 Ų54.261%0.61231%0.312SS*.Hα-helixtrans-63.6-32.4176.963.3-83-166.600112.5P182 S188P182-E184 VanDerWaalsContact C-N 3.28Å; P182-E184 HydrophobicContact CB-CG 4.3Å; P182-E184 WeakPolarHBondContact CB-OE1 3.36Å; P182-E184 WeakPolarHBondContact CB-OE2 3.39Å; P182-E184 PolarHBondContact O-N 2.77Å; E184-S188 PolarHBondContact O-N 3.12Å
185V95.5Very high96.7Very high54 Ų5455.8 Ų55.833%0.32732%0.324SS..Hα-helixtrans-69.7-47.4179168.80000109.4T181 P182 P183 S188 W189T181-V185 HydrophobicContact CG2-CB 4.15Å; T181-V185 HydrophobicContact CG2-CG1 3.86Å; P182-V185 HydrophobicContact CB-CB 4.44Å; P182-V185 HydrophobicContact CB-CG2 4.07Å; P182-V185 HydrophobicContact CG-CG2 4.15Å; P182-V185 WeakPolarHBondContact O-CB 3.27Å; P182-V185 PolarHBondContact O-N 2.84Å; P183-V185 VanDerWaalsContact C-N 3.25Å; P183-V185 PolarHBondContact O-N 3.11Å; V185-S188 WeakPolarHBondContact O-CB 3.26Å; V185-S188 PolarHBondContact O-N 3.03Å; V185-S188 PolarHBondContact O-OG 2.98Å; V185-W189 HydrophobicContact CB-CH2 4.35Å; V185-W189 HydrophobicContact CG1-CH2 3.06Å; V185-W189 HydrophobicContact CG1-CZ2 3.79Å; V185-W189 HydrophobicContact CG1-CZ3 3.56Å; V185-W189 VanDerWaalsContact O-CZ3 3.26Å; V185-W189 WeakPolarHBondContact O-CZ3 3.34Å
186S97.1Very high96.6Very high0 Ų056.7 Ų56.70%033%0.328CS..Hα-helixtrans-69.3-35.3177.362.10000113.8P182 P183 S188 W189 G190 V191 Q193P182-S186 PolarHBondContact O-N 2.64Å; P183-S186 PolarHBondContact O-N 3.42Å; P183-S186 PolarHBondContact O-OG 2.8Å; S186-S188 PolarHBondContact O-N 2.91Å; S186-W189 CarbonylContact O-C 3.56Å; S186-W189 VanDerWaalsContact O-CD1 3.23Å; S186-W189 PolarHBondContact O-N 3.49Å; S186-W189 PolarHBondContact O-NE1 2.78Å; S186-G190 PolarHBondContact O-N 2.87Å; S186-V191 CarbonylContact C-O 3.59Å; S186-V191 VanDerWaalsContact C-O 3.29Å; S186-V191 PolarHBondContact O-N 3.32Å; S186-V191 VanDerWaalsContact O-N 3.08Å; S186-V191 PolarHBondContact OG-O 2.75Å; S186-Q193 VanDerWaalsContact OG-CG 3.28Å; S186-Q193 WeakPolarHBondContact OG-CG 3.37Å; S186-Q193 PolarHBondContact OG-NE2 3.2Å
187A96.9Very high96.6Very high61 Ų6162.3 Ų62.350%0.50436%0.355SS..Hα-helixtrans-62-32.9176.300000111.8P183 W189 G190 V191P183-A187 VanDerWaalsContact O-CB 3.31Å; P183-A187 WeakPolarHBondContact O-CB 3.24Å; P183-A187 PolarHBondContact O-N 3.06Å; A187-W189 PolarHBondContact O-N 2.76Å; A187-W189 VanDerWaalsContact O-N 3.11Å; A187-G190 PolarHBondContact O-N 3.28Å; A187-V191 PolarHBondContact N-O 3.46Å
188S97.5Very high96.6Very high92 Ų9264.1 Ų64.164%0.64337%0.366SS*.THydrogen-bonded Turntrans-61-19.4177.779.60000114.3E184 V185 S186E184-S188 PolarHBondContact O-N 3.12Å; V185-S188 WeakPolarHBondContact O-CB 3.26Å; V185-S188 PolarHBondContact O-N 3.03Å; V185-S188 PolarHBondContact O-OG 2.98Å; S186-S188 PolarHBondContact O-N 2.91Å
189W97.3Very high96.6Very high47 Ų4763.1 Ų63.118%0.17836%0.36CS..THydrogen-bonded Turntrans-120.129.3172.753.773.6000112.7K161 Q168 V185 S186 A187 V191K161-W189 HydrophobicContact CB-CZ2 4.32Å; K161-W189 HydrophobicContact CD-CD2 3.92Å; K161-W189 HydrophobicContact CD-CE3 3.87Å; K161-W189 HydrophobicContact CD-CH2 4Å; K161-W189 HydrophobicContact CD-CZ2 4.13Å; K161-W189 HydrophobicContact CD-CZ3 3.93Å; K161-W189 HydrophobicContact CG-CD2 3.91Å; K161-W189 HydrophobicContact CG-CE3 4.38Å; K161-W189 HydrophobicContact CG-CG 4.11Å; K161-W189 HydrophobicContact CG-CZ2 4.27Å; Q168-W189 PolarHBondContact NE2-O 3.01Å; Q168-W189 PolarHBondContact OE1-O 3.45Å; V185-W189 HydrophobicContact CB-CH2 4.35Å; V185-W189 HydrophobicContact CG1-CH2 3.06Å; V185-W189 HydrophobicContact CG1-CZ2 3.79Å; V185-W189 HydrophobicContact CG1-CZ3 3.56Å; V185-W189 VanDerWaalsContact O-CZ3 3.26Å; V185-W189 WeakPolarHBondContact O-CZ3 3.34Å; S186-W189 CarbonylContact O-C 3.56Å; S186-W189 VanDerWaalsContact O-CD1 3.23Å; S186-W189 PolarHBondContact O-N 3.49Å; S186-W189 PolarHBondContact O-NE1 2.78Å; A187-W189 PolarHBondContact O-N 2.76Å; A187-W189 VanDerWaalsContact O-N 3.11Å; W189-V191 PolarHBondContact O-N 2.86Å
190G97.2Very high96.9Very high47 Ų4758.4 Ų58.449%0.48533%0.329SS..THydrogen-bonded Turntrans74.423.4167.400000115.4Q168 T174 S186 A187Q168-G190 PolarHBondContact NE2-O 3.34Å; Q168-G190 VanDerWaalsContact NE2-O 3.07Å; T174-G190 PolarHBondContact OG1-O 3.25Å; T174-G190 VanDerWaalsContact OG1-O 3.07Å; S186-G190 PolarHBondContact O-N 2.87Å; A187-G190 PolarHBondContact O-N 3.28Å
191V98.6Very high97.1Very high1 Ų154.6 Ų54.61%0.00631%0.314CS..  trans-109.5115174-1800000109.9L156 A164 S186 A187 W189L156-V191 HydrophobicContact CD1-CG1 4.26Å; L156-V191 HydrophobicContact CD2-CG1 3.9Å; A164-V191 HydrophobicContact CB-CG2 3.47Å; A164-V191 VanDerWaalsContact CB-CG2 3.47Å; S186-V191 CarbonylContact C-O 3.59Å; S186-V191 VanDerWaalsContact C-O 3.29Å; S186-V191 PolarHBondContact O-N 3.32Å; S186-V191 VanDerWaalsContact O-N 3.08Å; S186-V191 PolarHBondContact OG-O 2.75Å; A187-V191 PolarHBondContact N-O 3.46Å; W189-V191 PolarHBondContact O-N 2.86Å
192E97.6Very high97.4Very high131 Ų13157.3 Ų57.361%0.61233%0.325SS*.EExtended strand (participates in β ladder)trans-76124171.1-174.7179.617500109.9I175 G176 M194I175-E192 CarbonylContact C-O 3.5Å; I175-E192 WeakPolarHBondContact CA-O 3.45Å; I175-E192 HydrophobicContact CG2-CB 4.48Å; G176-E192 PolarHBondContact N-O 2.88Å; E192-M194 HydrophobicContact CG-CE 4.23Å
193Q97.9Very high97.6Very high42 Ų4254.8 Ų54.820%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-87.7139.6174.8-88.5-170.856.500111.8L156 G176 D178 T181 P182 P183 S186L156-Q193 HydrophobicContact CD1-CG 3.34Å; G176-Q193 VanDerWaalsContact O-CA 3.29Å; G176-Q193 WeakPolarHBondContact O-CA 3.05Å; D178-Q193 PolarHBondContact O-OE1 3.19Å; T181-Q193 PolarHBondContact O-NE2 2.96Å; T181-Q193 PolarHBondContact O-OE1 3.39Å; P182-Q193 PolarHBondContact O-NE2 3.44Å; P183-Q193 HydrophobicContact CB-CB 4.49Å; S186-Q193 VanDerWaalsContact OG-CG 3.28Å; S186-Q193 WeakPolarHBondContact OG-CG 3.37Å; S186-Q193 PolarHBondContact OG-NE2 3.2Å
194M97.4Very high97.7Very high23 Ų2352.6 Ų52.611%0.11329%0.292CS..  trans-152.1169.117761.8-173.56500110.8I175 G176 Y177 E192 Q198 L199 Q202I175-M194 HydrophobicContact CB-CE 3.8Å; I175-M194 HydrophobicContact CB-SD 4.35Å; I175-M194 HydrophobicContact CD1-CE 4.2Å; I175-M194 HydrophobicContact CD1-SD 3.91Å; I175-M194 HydrophobicContact CG2-CE 3.67Å; G176-M194 PolarHBondContact O-N 3Å; Y177-M194 WeakPolarHBondContact CD2-O 3.31Å; E192-M194 HydrophobicContact CG-CE 4.23Å; M194-Q198 HydrophobicContact CB-CB 4.12Å; M194-Q198 HydrophobicContact CG-CB 4.19Å; M194-Q198 HydrophobicContact SD-CB 4.08Å; M194-L199 HydrophobicContact CG-CB 3.96Å; M194-L199 HydrophobicContact CG-CD1 4.48Å; M194-L199 HydrophobicContact SD-CB 4.15Å; M194-Q202 PolarHBondContact SD-NE2 3.46Å
195S98Very high97.9Very high40 Ų4046.6 Ų46.628%0.2826%0.264SS..  trans-67.3157.5176.195.80000111.3E197 Q198 L199S195-E197 WeakPolarHBondContact CB-OE2 3.36Å; S195-E197 PolarHBondContact O-N 3.33Å; S195-E197 PolarHBondContact OG-N 3.05Å; S195-E197 PolarHBondContact OG-OE2 2.99Å; S195-Q198 VanDerWaalsContact N-OE1 3.13Å; S195-Q198 PolarHBondContact O-N 3.41Å; S195-Q198 VanDerWaalsContact O-N 3.07Å; S195-Q198 PolarHBondContact OG-N 3.44Å; S195-L199 WeakPolarHBondContact O-CB 3.43Å; S195-L199 PolarHBondContact O-N 3.02Å
196L97.9Very high98Very high22 Ų2244.1 Ų44.112%0.11525%0.249CC..Hα-helixtrans-56.9-40177.6-68.5179.8000111.8V154 Y177 Q198 L199 W200 L219V154-L196 HydrophobicContact CG1-CD2 4.2Å; Y177-L196 HydrophobicContact CD1-CD1 4.17Å; Y177-L196 HydrophobicContact CD1-CD2 3.32Å; Y177-L196 HydrophobicContact CD1-CG 3.71Å; Y177-L196 HydrophobicContact CD2-CD2 4.02Å; Y177-L196 HydrophobicContact CD2-CG 3.91Å; Y177-L196 HydrophobicContact CE1-CD1 3.89Å; Y177-L196 HydrophobicContact CE1-CD2 3.93Å; Y177-L196 HydrophobicContact CE1-CG 3.82Å; Y177-L196 HydrophobicContact CE2-CG 4.03Å; Y177-L196 HydrophobicContact CG-CD2 3.35Å; Y177-L196 HydrophobicContact CG-CG 3.74Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.88Å; L196-L199 PolarHBondContact O-N 3.44Å; L196-L199 VanDerWaalsContact O-N 3.12Å; L196-W200 HydrophobicContact CB-CZ2 3.8Å; L196-W200 HydrophobicContact CD1-CZ2 4.08Å; L196-W200 HydrophobicContact CD2-CH2 3.65Å; L196-W200 HydrophobicContact CD2-CZ2 3.54Å; L196-W200 HydrophobicContact CD2-CZ3 4.48Å; L196-W200 HydrophobicContact CG-CZ2 4Å; L196-W200 PolarHBondContact O-N 3.36Å; L196-W200 PolarHBondContact O-NE1 3.16Å; L196-L219 HydrophobicContact CD1-CD1 3.9Å
197E97.6Very high98.1Very high118 Ų11844.1 Ų44.155%0.55125%0.249SC*.Hα-helixtrans-60.8-34.6177.7-61.768.7-151.200112.6S195 P201S195-E197 WeakPolarHBondContact CB-OE2 3.36Å; S195-E197 PolarHBondContact O-N 3.33Å; S195-E197 PolarHBondContact OG-N 3.05Å; S195-E197 PolarHBondContact OG-OE2 2.99Å; E197-P201 WeakPolarHBondContact O-CD 3.39Å
198Q98.2Very high98.2Very high110 Ų11041.2 Ų41.251%0.51423%0.225SC..Hα-helixtrans-80.3-31.8176.1-65.1173.2-46.500111.8M194 S195 L196 P201 Q202M194-Q198 HydrophobicContact CB-CB 4.12Å; M194-Q198 HydrophobicContact CG-CB 4.19Å; M194-Q198 HydrophobicContact SD-CB 4.08Å; S195-Q198 VanDerWaalsContact N-OE1 3.13Å; S195-Q198 PolarHBondContact O-N 3.41Å; S195-Q198 VanDerWaalsContact O-N 3.07Å; S195-Q198 PolarHBondContact OG-N 3.44Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.88Å; Q198-P201 WeakPolarHBondContact O-CD 3.32Å; Q198-Q202 PolarHBondContact O-NE2 2.87Å
199L98.4Very high98.2Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-72.3-49.3-176.1-172.4147.7000112.2V154 I175 G176 M194 S195 L196 Q202 C203V154-L199 HydrophobicContact CG2-CD2 4.37Å; I175-L199 HydrophobicContact CD1-CG 4.11Å; I175-L199 HydrophobicContact CG1-CD1 4.46Å; I175-L199 HydrophobicContact CG1-CG 4.28Å; G176-L199 VanDerWaalsContact C-CD1 3.46Å; M194-L199 HydrophobicContact CG-CB 3.96Å; M194-L199 HydrophobicContact CG-CD1 4.48Å; M194-L199 HydrophobicContact SD-CB 4.15Å; S195-L199 WeakPolarHBondContact O-CB 3.43Å; S195-L199 PolarHBondContact O-N 3.02Å; L196-L199 PolarHBondContact O-N 3.44Å; L196-L199 VanDerWaalsContact O-N 3.12Å; L199-Q202 PolarHBondContact O-N 3.09Å; L199-Q202 VanDerWaalsContact O-N 3.1Å; L199-C203 WeakPolarHBondContact CD2-SG 3.24Å; L199-C203 PolarHBondContact O-N 2.8Å; L199-C203 PolarHBondContact O-SG 2.94Å
200W98.4Very high98.1Very high4 Ų436.8 Ų36.82%0.01520%0.198CC..G310 helixtrans-50.1-51.8-175.8-53.9143.3000115.3V154 L196 Q202 C203 I206 K227 C228V154-W200 HydrophobicContact CG2-CH2 3.68Å; V154-W200 HydrophobicContact CG2-CZ3 3.69Å; L196-W200 HydrophobicContact CB-CZ2 3.8Å; L196-W200 HydrophobicContact CD1-CZ2 4.08Å; L196-W200 HydrophobicContact CD2-CH2 3.65Å; L196-W200 HydrophobicContact CD2-CZ2 3.54Å; L196-W200 HydrophobicContact CD2-CZ3 4.48Å; L196-W200 HydrophobicContact CG-CZ2 4Å; L196-W200 PolarHBondContact O-N 3.36Å; L196-W200 PolarHBondContact O-NE1 3.16Å; W200-Q202 PolarHBondContact O-N 3.05Å; W200-Q202 VanDerWaalsContact O-N 3.1Å; W200-C203 PolarHBondContact O-N 3.38Å; W200-I206 HydrophobicContact CE3-CD1 3.85Å; W200-I206 HydrophobicContact CZ3-CD1 4.05Å; W200-I206 HydrophobicContact CZ3-CG2 4.21Å; W200-K227 HydrophobicContact CB-CB 3.99Å; W200-K227 HydrophobicContact CG-CB 4.46Å; W200-C228 WeakPolarHBondContact O-CA 3.46Å
201P98.6Very high97.8Very high65 Ų6538.1 Ų38.142%0.42220%0.198SC..G310 helixtrans-68.9-11.4-175.827.9-36.7000113.8E197 Q198 K227 K229E197-P201 WeakPolarHBondContact O-CD 3.39Å; Q198-P201 WeakPolarHBondContact O-CD 3.32Å; P201-K227 WeakPolarHBondContact CA-O 3.38Å; P201-K229 WeakPolarHBondContact O-CE 3.46Å; P201-K229 VanDerWaalsContact O-CG 3.23Å; P201-K229 WeakPolarHBondContact O-CG 3.26Å
202Q98.6Very high97.4Very high82 Ų8241.6 Ų41.638%0.38322%0.216SC..G310 helixtrans-96.6-21.2-177.5-63.5-173.970.100113.3V150 I175 M194 Q198 L199 W200 K229V150-Q202 WeakPolarHBondContact CB-O 3.08Å; V150-Q202 WeakPolarHBondContact CG1-O 3.1Å; I175-Q202 HydrophobicContact CD1-CB 3.72Å; M194-Q202 PolarHBondContact SD-NE2 3.46Å; Q198-Q202 PolarHBondContact O-NE2 2.87Å; L199-Q202 PolarHBondContact O-N 3.09Å; L199-Q202 VanDerWaalsContact O-N 3.1Å; W200-Q202 PolarHBondContact O-N 3.05Å; W200-Q202 VanDerWaalsContact O-N 3.1Å; Q202-K229 WeakPolarHBondContact O-CE 3.49Å; Q202-K229 PolarHBondContact O-NZ 2.98Å
203C98.7Very high97.1Very high0 Ų039.3 Ų39.30%021%0.206CC..  trans-79.1126.2-168.8-660000113.2G152 L199 W200 I206 K229G152-C203 WeakPolarHBondContact CA-SG 3.28Å; L199-C203 WeakPolarHBondContact CD2-SG 3.24Å; L199-C203 PolarHBondContact O-N 2.8Å; L199-C203 PolarHBondContact O-SG 2.94Å; W200-C203 PolarHBondContact O-N 3.38Å; C203-I206 HydrophobicContact CB-CD1 4.05Å; C203-I206 HydrophobicContact CB-CG1 3.52Å; C203-K229 WeakPolarHBondContact O-CD 3.47Å
204D98.9Very high96.9Very high34 Ų3443.5 Ų43.518%0.18224%0.237CC..SBendtrans-85-32.9163.3-55.3-53000110.4K149 V150 K229 K233K149-D204 WeakPolarHBondContact CA-OD2 3.33Å; K149-D204 HydrophobicContact CB-CB 4.17Å; K149-D204 HydrophobicContact CD-CB 4.12Å; K149-D204 WeakPolarHBondContact CD-OD2 3.21Å; V150-D204 PolarHBondContact N-OD2 2.87Å; V150-D204 PolarHBondContact O-N 3.19Å; D204-K229 WeakPolarHBondContact OD1-CD 3.49Å; D204-K229 IonicContact OD1-NZ 3.66Å; D204-K229 PolarHBondContact OD1-NZ 2.81Å; D204-K229 IonicContact OD2-NZ 3.66Å; D204-K233 PolarHBondContact O-N 3.07Å
205Y98.9Very high96.7Very high6 Ų646.7 Ų46.72%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-128.7145.2174-64.8-97.5000110L117 S121 L146 K149 V150 L151 G152 M172 K233L117-Y205 HydrophobicContact CD2-CD1 3.73Å; L117-Y205 HydrophobicContact CD2-CG 4.16Å; S121-Y205 PolarHBondContact OG-OH 2.78Å; L146-Y205 HydrophobicContact CD2-CD2 4.39Å; L146-Y205 HydrophobicContact CD2-CE1 4.11Å; L146-Y205 HydrophobicContact CD2-CE2 3.77Å; K149-Y205 HydrophobicContact CB-CD2 4.31Å; K149-Y205 HydrophobicContact CB-CE2 4.19Å; K149-Y205 HydrophobicContact CG-CE2 4.25Å; V150-Y205 PolarHBondContact O-N 2.95Å; L151-Y205 WeakPolarHBondContact CA-O 3.33Å; G152-Y205 PolarHBondContact N-O 3.21Å; M172-Y205 HydrophobicContact CE-CD2 3.63Å; M172-Y205 HydrophobicContact CE-CE2 4.28Å; M172-Y205 HydrophobicContact CE-CG 4.16Å; Y205-K233 CarbonylContact C-O 3.54Å; Y205-K233 VanDerWaalsContact CA-O 3.23Å; Y205-K233 WeakPolarHBondContact CA-O 3.49Å; Y205-K233 HydrophobicContact CD1-CB 3.65Å; Y205-K233 HydrophobicContact CD1-CD 4.28Å; Y205-K233 HydrophobicContact CE1-CB 3.77Å; Y205-K233 HydrophobicContact CE1-CD 3.5Å; Y205-K233 HydrophobicContact CE1-CG 4.23Å; Y205-K233 HydrophobicContact CG-CB 4.49Å
206I98.9Very high96.6Very high1 Ų145.4 Ų45.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-126.7136172.7-60.1170.2000108.8G152 V154 W200 C203 L220 V232 K233 V234 V235G152-I206 CarbonylContact O-C 3.52Å; G152-I206 WeakPolarHBondContact O-CA 3.49Å; V154-I206 HydrophobicContact CG2-CG2 4.19Å; W200-I206 HydrophobicContact CE3-CD1 3.85Å; W200-I206 HydrophobicContact CZ3-CD1 4.05Å; W200-I206 HydrophobicContact CZ3-CG2 4.21Å; C203-I206 HydrophobicContact CB-CD1 4.05Å; C203-I206 HydrophobicContact CB-CG1 3.52Å; I206-L220 HydrophobicContact CD1-CD2 4.22Å; I206-L220 HydrophobicContact CG2-CD1 4.4Å; I206-L220 HydrophobicContact CG2-CD2 4.35Å; I206-V232 HydrophobicContact CD1-CG2 3.81Å; I206-V232 HydrophobicContact CG1-CG2 3.92Å; I206-K233 PolarHBondContact N-O 3.46Å; I206-V234 HydrophobicContact CB-CG1 4.23Å; I206-V234 CarbonylContact O-C 3.29Å; I206-V234 VanDerWaalsContact O-CA 3.29Å; I206-V234 WeakPolarHBondContact O-CA 3.22Å; I206-V235 PolarHBondContact O-N 2.67Å
207T98.9Very high96.5Very high0 Ų048.6 Ų48.60%027%0.272CS..EExtended strand (participates in β ladder)trans-127.8139.8168.9-174.60000110.5T113 L151 G152 I153 V154 V163 H209 V235T113-T207 VanDerWaalsContact CG2-OG1 3.27Å; T113-T207 WeakPolarHBondContact CG2-OG1 3.32Å; L151-T207 HydrophobicContact CD1-CG2 4.05Å; L151-T207 HydrophobicContact CG-CG2 4.46Å; G152-T207 PolarHBondContact O-N 2.89Å; I153-T207 HydrophobicContact CB-CG2 4.32Å; I153-T207 HydrophobicContact CG1-CG2 3.99Å; I153-T207 HydrophobicContact CG2-CG2 4.18Å; V154-T207 PolarHBondContact N-O 3.12Å; V163-T207 HydrophobicContact CG1-CG2 4.22Å; T207-H209 VanDerWaalsContact CG2-NE2 3.35Å; T207-H209 WeakPolarHBondContact CG2-NE2 3.38Å; T207-H209 PolarHBondContact OG1-CE1 2.99Å; T207-H209 PolarHBondContact OG1-NE2 3.39Å; T207-V235 WeakPolarHBondContact CA-O 3.29Å
208V98.7Very high96.6Very high1 Ų143.6 Ų43.61%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-109.2135.1179.6-610000111.1V154 L220 V235 N236 A238 I242 I243V154-V208 HydrophobicContact CB-CG1 4.22Å; V154-V208 CarbonylContact O-C 3.57Å; V208-L220 HydrophobicContact CG1-CD1 3.59Å; V208-V235 PolarHBondContact N-O 3.45Å; V208-N236 HydrophobicContact CG2-CB 3.77Å; V208-N236 WeakPolarHBondContact CG2-OD1 3.38Å; V208-A238 VanDerWaalsContact O-CB 3.29Å; V208-A238 WeakPolarHBondContact O-CB 3.46Å; V208-I242 HydrophobicContact CB-CG2 3.86Å; V208-I242 HydrophobicContact CG1-CG2 3.98Å; V208-I242 HydrophobicContact CG2-CB 4.31Å; V208-I242 HydrophobicContact CG2-CD1 4.43Å; V208-I242 HydrophobicContact CG2-CG2 3.82Å; V208-I243 HydrophobicContact CG2-CG1 4.46Å
209H97.4Very high96.5Very high24 Ų2439.6 Ų39.611%0.11123%0.234CC..  trans-14029.7-177.6-60.4-63.2000112.2V154 I159 T207V154-H209 PolarHBondContact O-N 2.88Å; I159-H209 WeakPolarHBondContact CG2-ND1 3.14Å; T207-H209 VanDerWaalsContact CG2-NE2 3.35Å; T207-H209 WeakPolarHBondContact CG2-NE2 3.38Å; T207-H209 PolarHBondContact OG1-CE1 2.99Å; T207-H209 PolarHBondContact OG1-NE2 3.39Å
210T94.7Very high96.5Very high21 Ų2139.6 Ų39.613%0.12924%0.235CC..  trans-88.7156.8176.166.50000111V154 T216 I242V154-T210 HydrophobicContact CG1-CG2 4.18Å; T210-T216 HydrophobicContact CG2-CG2 4.49Å; T210-I242 VanDerWaalsContact O-CD1 3.27Å; T210-I242 WeakPolarHBondContact O-CD1 3.34Å
211P90.6Very high96.5Very high75 Ų7541.5 Ų41.549%0.48725%0.245SC..  trans-62.3166.6159.429.9-35.1000110.4M213 T216P211-M213 HydrophobicContact CB-CG 4.28Å; P211-M213 HydrophobicContact CG-CE 3.81Å; P211-M213 HydrophobicContact CG-CG 4.18Å; P211-M213 HydrophobicContact CG-SD 3.95Å; P211-T216 PolarHBondContact O-OG1 3.33Å
212L91.6Very high96.5Very high74 Ų7442 Ų4239%0.38724%0.244SC..  trans-91.7115.4169.6-171.570.2000109.1V217 R239 G240 I242L212-V217 HydrophobicContact CD1-CG2 3.79Å; L212-V217 HydrophobicContact CG-CG2 4.25Å; L212-R239 HydrophobicContact CB-CB 3.92Å; L212-R239 HydrophobicContact CB-CG 4.18Å; L212-G240 WeakPolarHBondContact CD1-O 3.35Å; L212-G240 WeakPolarHBondContact CD2-O 3.29Å; L212-I242 HydrophobicContact CD1-CG1 3.96Å
213M90.9Very high96.5Very high84 Ų8444.7 Ų44.741%0.41426%0.257SS..  trans-144.2165.5-179.8-59.1-174.3-55.600108.8P211 S215 T216 V217P211-M213 HydrophobicContact CB-CG 4.28Å; P211-M213 HydrophobicContact CG-CE 3.81Å; P211-M213 HydrophobicContact CG-CG 4.18Å; P211-M213 HydrophobicContact CG-SD 3.95Å; M213-S215 PolarHBondContact O-N 2.77Å; M213-T216 HydrophobicContact CE-CG2 4.44Å; M213-T216 PolarHBondContact N-OG1 2.92Å; M213-T216 PolarHBondContact O-N 2.87Å; M213-T216 PolarHBondContact O-OG1 2.82Å; M213-V217 WeakPolarHBondContact O-CG2 3.41Å; M213-V217 PolarHBondContact O-N 3.2Å; M213-V217 VanDerWaalsContact O-N 3.08Å
214P93.3Very high96.5Very high130 Ų13045.4 Ų45.484%0.84426%0.261SS*.THydrogen-bonded Turntrans-51.2-32.7179.3-29.836.5000114.5
215S92.4Very high96.5Very high89 Ų8943.9 Ų43.962%0.62225%0.253SS*.THydrogen-bonded Turntrans-78.6-11.7177.955.10000115.3M213M213-S215 PolarHBondContact O-N 2.77Å
216T96.1Very high96.5Very high13 Ų1347.1 Ų47.18%0.0828%0.281CS..THydrogen-bonded Turntrans-119.7-3.3-17766.90000113.2T210 P211 M213 G218 L219 I242T210-T216 HydrophobicContact CG2-CG2 4.49Å; P211-T216 PolarHBondContact O-OG1 3.33Å; M213-T216 HydrophobicContact CE-CG2 4.44Å; M213-T216 PolarHBondContact N-OG1 2.92Å; M213-T216 PolarHBondContact O-N 2.87Å; M213-T216 PolarHBondContact O-OG1 2.82Å; T216-G218 PolarHBondContact O-N 2.85Å; T216-L219 WeakPolarHBondContact O-CB 3.37Å; T216-L219 PolarHBondContact O-N 3.45Å; T216-I242 WeakPolarHBondContact O-CA 3.35Å
217V97.6Very high96.5Very high90 Ų9051.7 Ų51.755%0.54530%0.3SS..THydrogen-bonded Turntrans-66.3127.6171.2171.10000108.6L212 M213 L219L212-V217 HydrophobicContact CD1-CG2 3.79Å; L212-V217 HydrophobicContact CG-CG2 4.25Å; M213-V217 WeakPolarHBondContact O-CG2 3.41Å; M213-V217 PolarHBondContact O-N 3.2Å; M213-V217 VanDerWaalsContact O-N 3.08Å; V217-L219 PolarHBondContact O-N 2.89Å
218G97.8Very high96.5Very high13 Ų1352.1 Ų52.113%0.13430%0.304CS..THydrogen-bonded Turntrans59.931.7-179.100000113.1T216 L220 N221 G241 I242T216-G218 PolarHBondContact O-N 2.85Å; G218-L220 CarbonylContact O-C 3.59Å; G218-L220 PolarHBondContact O-N 2.86Å; G218-N221 WeakPolarHBondContact O-CB 3.42Å; G218-N221 PolarHBondContact O-ND2 3.06Å; G218-G241 PolarHBondContact N-O 3.38Å; G218-I242 CarbonylContact C-O 3.6Å
219L97.8Very high96.5Very high25 Ų2555.5 Ų55.513%0.13132%0.318CS..SBendtrans-57.7-36.6178.1-17364.9000111.7V154 L196 T216 V217 T224 I242V154-L219 HydrophobicContact CG1-CD2 3.48Å; V154-L219 VanDerWaalsContact CG1-CD2 3.48Å; L196-L219 HydrophobicContact CD1-CD1 3.9Å; T216-L219 WeakPolarHBondContact O-CB 3.37Å; T216-L219 PolarHBondContact O-N 3.45Å; V217-L219 PolarHBondContact O-N 2.89Å; L219-T224 WeakPolarHBondContact O-CG2 3.42Å; L219-T224 PolarHBondContact O-OG1 3.06Å; L219-I242 HydrophobicContact CB-CG2 4.14Å; L219-I242 WeakPolarHBondContact CB-O 3.23Å; L219-I242 HydrophobicContact CD2-CG2 4.37Å; L219-I242 PolarHBondContact N-O 2.97Å
220L98.4Very high96.5Very high1 Ų162.5 Ų62.51%0.00535%0.348CS..BIsolated β-bridgetrans-101.3111.9160-76.993.6000109.5I206 V208 G218 T224 F225 V234 I242 I243 D244I206-L220 HydrophobicContact CD1-CD2 4.22Å; I206-L220 HydrophobicContact CG2-CD1 4.4Å; I206-L220 HydrophobicContact CG2-CD2 4.35Å; V208-L220 HydrophobicContact CG1-CD1 3.59Å; G218-L220 CarbonylContact O-C 3.59Å; G218-L220 PolarHBondContact O-N 2.86Å; L220-T224 WeakPolarHBondContact CA-OG1 3.32Å; L220-F225 HydrophobicContact CB-CE2 4.01Å; L220-F225 HydrophobicContact CB-CZ 3.95Å; L220-F225 HydrophobicContact CD2-CD1 4.49Å; L220-F225 HydrophobicContact CD2-CE1 3.8Å; L220-F225 HydrophobicContact CD2-CZ 3.85Å; L220-V234 HydrophobicContact CD2-CG1 3.83Å; L220-I242 PolarHBondContact N-O 3.12Å; L220-I243 HydrophobicContact CB-CB 4.38Å; L220-I243 HydrophobicContact CB-CG1 4.18Å; L220-I243 HydrophobicContact CB-CG2 4.01Å; L220-I243 HydrophobicContact CD1-CG1 4.25Å; L220-D244 WeakPolarHBondContact O-CB 3.42Å; L220-D244 PolarHBondContact O-N 3.18Å
221N98.6Very high96.7Very high44 Ų4463.1 Ų63.124%0.23536%0.359CS..  trans-136.6-177.2179.561.241.2000110.8G218 E223 T224 F225 D244G218-N221 WeakPolarHBondContact O-CB 3.42Å; G218-N221 PolarHBondContact O-ND2 3.06Å; N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.26Å; N221-E223 WeakPolarHBondContact OD1-CB 3.46Å; N221-E223 PolarHBondContact OD1-N 3Å; N221-T224 PolarHBondContact N-OG1 3.28Å; N221-T224 PolarHBondContact O-N 2.92Å; N221-T224 PolarHBondContact O-OG1 2.96Å; N221-T224 PolarHBondContact OD1-N 2.84Å; N221-T224 PolarHBondContact OD1-OG1 2.85Å; N221-F225 WeakPolarHBondContact O-CB 3.46Å; N221-F225 WeakPolarHBondContact O-CD2 3.47Å; N221-F225 PolarHBondContact O-N 3.49Å; N221-D244 HydrophobicContact CB-CB 4.32Å
222D98.7Very high97.1Very high74 Ų7459.6 Ų59.640%0.39634%0.336SS..Hα-helixtrans-53.9-43.3-176.8-62.7-75.9000113A226 R250D222-A226 WeakPolarHBondContact O-CB 2.92Å; D222-A226 PolarHBondContact O-N 3Å; D222-R250 IonicContact OD1-CZ 3.14Å; D222-R250 IonicContact OD1-NE 2.65Å; D222-R250 PolarHBondContact OD1-NE 2.89Å; D222-R250 IonicContact OD1-NH2 3.3Å; D222-R250 PolarHBondContact OD1-NH2 2.84Å; D222-R250 IonicContact OD2-CZ 3.33Å; D222-R250 IonicContact OD2-NE 2.75Å; D222-R250 IonicContact OD2-NH2 2.67Å; D222-R250 PolarHBondContact OD2-NH2 2.82Å
223E98.5Very high97.4Very high140 Ų14057.7 Ų57.765%0.65432%0.324SS*.Hα-helixtrans-67.3-41.9-178.3-60.4-175.8178.600112.3N221 A226 K227N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.26Å; N221-E223 WeakPolarHBondContact OD1-CB 3.46Å; N221-E223 PolarHBondContact OD1-N 3Å; E223-A226 PolarHBondContact O-N 2.83Å; E223-K227 WeakPolarHBondContact O-CG 3.25Å; E223-K227 PolarHBondContact O-N 3.24Å
224T98.3Very high97.8Very high14 Ų1453.7 Ų53.79%0.08631%0.305CS..Hα-helixtrans-74.1-37.5179580000112L219 L220 N221 A226 K227 C228L219-T224 WeakPolarHBondContact O-CG2 3.42Å; L219-T224 PolarHBondContact O-OG1 3.06Å; L220-T224 WeakPolarHBondContact CA-OG1 3.32Å; N221-T224 PolarHBondContact N-OG1 3.28Å; N221-T224 PolarHBondContact O-N 2.92Å; N221-T224 PolarHBondContact O-OG1 2.96Å; N221-T224 PolarHBondContact OD1-N 2.84Å; N221-T224 PolarHBondContact OD1-OG1 2.85Å; T224-A226 VanDerWaalsContact C-N 3.28Å; T224-A226 PolarHBondContact O-N 2.83Å; T224-K227 WeakPolarHBondContact O-CB 3.4Å; T224-K227 PolarHBondContact O-N 2.82Å; T224-K227 VanDerWaalsContact O-N 3.1Å; T224-C228 PolarHBondContact O-N 3.05Å; T224-C228 PolarHBondContact O-SG 3.43Å
225F98.8Very high98.1Very high3 Ų347.5 Ų47.51%0.01327%0.265CS..Hα-helixtrans-60-39.8172-82.8-61.4000111.2L220 N221 K227 C228 V234 I243 A247 L248 A251 Q256 C257L220-F225 HydrophobicContact CB-CE2 4.01Å; L220-F225 HydrophobicContact CB-CZ 3.95Å; L220-F225 HydrophobicContact CD2-CD1 4.49Å; L220-F225 HydrophobicContact CD2-CE1 3.8Å; L220-F225 HydrophobicContact CD2-CZ 3.85Å; N221-F225 WeakPolarHBondContact O-CB 3.46Å; N221-F225 WeakPolarHBondContact O-CD2 3.47Å; N221-F225 PolarHBondContact O-N 3.49Å; F225-K227 PolarHBondContact O-N 2.76Å; F225-C228 WeakPolarHBondContact O-CB 2.9Å; F225-C228 PolarHBondContact O-N 2.65Å; F225-C228 VanDerWaalsContact O-N 3.07Å; F225-V234 HydrophobicContact CE1-CG1 3.89Å; F225-V234 HydrophobicContact CZ-CG1 4.49Å; F225-I243 HydrophobicContact CE2-CG2 4.29Å; F225-I243 HydrophobicContact CZ-CG2 4.11Å; F225-A247 HydrophobicContact CD2-CB 4.48Å; F225-L248 HydrophobicContact CE1-CD1 4.28Å; F225-L248 HydrophobicContact CE2-CB 4.24Å; F225-L248 HydrophobicContact CE2-CD1 4.4Å; F225-L248 HydrophobicContact CZ-CB 4.3Å; F225-L248 HydrophobicContact CZ-CD1 3.7Å; F225-A251 HydrophobicContact CB-CB 4.19Å; F225-A251 HydrophobicContact CD1-CB 4.05Å; F225-A251 HydrophobicContact CD2-CB 3.96Å; F225-A251 HydrophobicContact CE1-CB 4.45Å; F225-A251 HydrophobicContact CE2-CB 4.38Å; F225-A251 HydrophobicContact CG-CB 3.81Å; F225-Q256 HydrophobicContact CB-CG 4.31Å; F225-Q256 WeakPolarHBondContact O-CG 3.33Å; F225-Q256 PolarHBondContact O-NE2 2.88Å; F225-C257 HydrophobicContact CD1-CB 4.47Å; F225-C257 HydrophobicContact CE1-CB 4.27Å
226A98.5Very high98.4Very high74 Ų7443.5 Ų43.561%0.61224%0.236SC*.Hα-helixtrans-62.8-25.2176.900000113.7D222 E223 T224D222-A226 WeakPolarHBondContact O-CB 2.92Å; D222-A226 PolarHBondContact O-N 3Å; E223-A226 PolarHBondContact O-N 2.83Å; T224-A226 VanDerWaalsContact C-N 3.28Å; T224-A226 PolarHBondContact O-N 2.83Å
227K98.4Very high98.4Very high96 Ų9643.4 Ų43.442%0.41724%0.236SC..Hα-helixtrans-83.7-16.8176-63.7167.6-170.61730113W200 P201 E223 T224 F225W200-K227 HydrophobicContact CB-CB 3.99Å; W200-K227 HydrophobicContact CG-CB 4.46Å; P201-K227 WeakPolarHBondContact CA-O 3.38Å; E223-K227 WeakPolarHBondContact O-CG 3.25Å; E223-K227 PolarHBondContact O-N 3.24Å; T224-K227 WeakPolarHBondContact O-CB 3.4Å; T224-K227 PolarHBondContact O-N 2.82Å; T224-K227 VanDerWaalsContact O-N 3.1Å; F225-K227 PolarHBondContact O-N 2.76Å
228C98.6Very high98.3Very high10 Ų1039.5 Ų39.57%0.06821%0.214CC..SBendtrans-75.1161.9-179.5-63.70000111.9W200 T224 F225 K230 V232 Q256W200-C228 WeakPolarHBondContact O-CA 3.46Å; T224-C228 PolarHBondContact O-N 3.05Å; T224-C228 PolarHBondContact O-SG 3.43Å; F225-C228 WeakPolarHBondContact O-CB 2.9Å; F225-C228 PolarHBondContact O-N 2.65Å; F225-C228 VanDerWaalsContact O-N 3.07Å; C228-K230 PolarHBondContact O-N 3.45Å; C228-V232 HydrophobicContact CB-CB 4.12Å; C228-V232 HydrophobicContact CB-CG1 3.65Å; C228-V232 HydrophobicContact CB-CG2 4.47Å; C228-Q256 PolarHBondContact O-NE2 3.47Å
229K98.6Very high98.1Very high72 Ų7241.3 Ų41.331%0.31322%0.216SC..PPolyproline II helixtrans-57.1138.2166.4-68.4-178.3175.2163.40110.2P201 Q202 C203 D204 G231 V232P201-K229 WeakPolarHBondContact O-CE 3.46Å; P201-K229 VanDerWaalsContact O-CG 3.23Å; P201-K229 WeakPolarHBondContact O-CG 3.26Å; Q202-K229 WeakPolarHBondContact O-CE 3.49Å; Q202-K229 PolarHBondContact O-NZ 2.98Å; C203-K229 WeakPolarHBondContact O-CD 3.47Å; D204-K229 WeakPolarHBondContact OD1-CD 3.49Å; D204-K229 IonicContact OD1-NZ 3.66Å; D204-K229 PolarHBondContact OD1-NZ 2.81Å; D204-K229 IonicContact OD2-NZ 3.66Å; K229-G231 PolarHBondContact O-N 3.19Å; K229-V232 WeakPolarHBondContact O-CB 3.34Å; K229-V232 PolarHBondContact O-N 3.34Å
230K98.4Very high98Very high170 Ų17040.6 Ų40.674%0.73921%0.214SC*.THydrogen-bonded Turntrans-59.6127.7171.7-173.6170.8-174.6170.70109.9C228C228-K230 PolarHBondContact O-N 3.45Å
231G98.2Very high97.9Very high34 Ų3441 Ų4135%0.35122%0.219SC..THydrogen-bonded Turntrans8612.2-176.600000114.5K229 G255 Q256K229-G231 PolarHBondContact O-N 3.19Å; G231-G255 PolarHBondContact N-O 2.87Å; G231-Q256 PolarHBondContact N-O 3.11Å
232V98.8Very high97.9Very high1 Ų138.9 Ų38.91%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-53.1140.9174.2660000110.9I206 C228 K229 Q256 C257 G258I206-V232 HydrophobicContact CD1-CG2 3.81Å; I206-V232 HydrophobicContact CG1-CG2 3.92Å; C228-V232 HydrophobicContact CB-CB 4.12Å; C228-V232 HydrophobicContact CB-CG1 3.65Å; C228-V232 HydrophobicContact CB-CG2 4.47Å; K229-V232 WeakPolarHBondContact O-CB 3.34Å; K229-V232 PolarHBondContact O-N 3.34Å; V232-Q256 PolarHBondContact N-O 3.08Å; V232-C257 CarbonylContact O-C 3.56Å; V232-C257 VanDerWaalsContact O-CA 3.31Å; V232-C257 WeakPolarHBondContact O-CA 3.26Å; V232-C257 PolarHBondContact O-SG 3.15Å; V232-G258 PolarHBondContact O-N 3.36Å
233K98.9Very high97.9Very high34 Ų3435.6 Ų35.615%0.14819%0.19CC..EExtended strand (participates in β ladder)trans-108.7138.2175.6-69.3174.5177.2-176.10110.5L120 D204 Y205 I206 G259L120-K233 HydrophobicContact CB-CD 4.29Å; L120-K233 PolarHBondContact O-NZ 3.09Å; D204-K233 PolarHBondContact O-N 3.07Å; Y205-K233 CarbonylContact C-O 3.54Å; Y205-K233 VanDerWaalsContact CA-O 3.23Å; Y205-K233 WeakPolarHBondContact CA-O 3.49Å; Y205-K233 HydrophobicContact CD1-CB 3.65Å; Y205-K233 HydrophobicContact CD1-CD 4.28Å; Y205-K233 HydrophobicContact CE1-CB 3.77Å; Y205-K233 HydrophobicContact CE1-CD 3.5Å; Y205-K233 HydrophobicContact CE1-CG 4.23Å; Y205-K233 HydrophobicContact CG-CB 4.49Å; I206-K233 PolarHBondContact N-O 3.46Å; K233-G259 VanDerWaalsContact CA-O 3.28Å; K233-G259 WeakPolarHBondContact CA-O 3.4Å
234V98.9Very high97.9Very high1 Ų131.5 Ų31.51%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-121.1145.5-174-55.30000112.3I206 L220 F225 I243 L248 G259 A260 G261I206-V234 HydrophobicContact CB-CG1 4.23Å; I206-V234 CarbonylContact O-C 3.29Å; I206-V234 VanDerWaalsContact O-CA 3.29Å; I206-V234 WeakPolarHBondContact O-CA 3.22Å; L220-V234 HydrophobicContact CD2-CG1 3.83Å; F225-V234 HydrophobicContact CE1-CG1 3.89Å; F225-V234 HydrophobicContact CZ-CG1 4.49Å; V234-I243 HydrophobicContact CB-CD1 4.24Å; V234-I243 HydrophobicContact CG2-CD1 4.02Å; V234-L248 HydrophobicContact CG2-CD1 3.8Å; V234-G259 PolarHBondContact N-O 3.14Å; V234-A260 HydrophobicContact CG2-CB 3.71Å; V234-A260 CarbonylContact O-C 3.59Å; V234-A260 VanDerWaalsContact O-CA 3.24Å; V234-A260 WeakPolarHBondContact O-CA 3.4Å; V234-G261 PolarHBondContact O-N 2.84Å
235V98.9Very high97.9Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-128.7133175.4178.50000110.2T113 L116 L117 L120 I206 T207 V208 G261T113-V235 HydrophobicContact CG2-CG1 3.96Å; L116-V235 HydrophobicContact CB-CG1 4.02Å; L116-V235 HydrophobicContact CB-CG2 4.25Å; L116-V235 HydrophobicContact CD1-CG1 4.09Å; L117-V235 HydrophobicContact CD2-CG2 3.73Å; L117-V235 HydrophobicContact CG-CG2 3.98Å; L120-V235 HydrophobicContact CD1-CG2 3.59Å; I206-V235 PolarHBondContact O-N 2.67Å; T207-V235 WeakPolarHBondContact CA-O 3.29Å; V208-V235 PolarHBondContact N-O 3.45Å; V235-G261 CarbonylContact C-O 3.27Å; V235-G261 VanDerWaalsContact CA-O 3.28Å; V235-G261 WeakPolarHBondContact CA-O 3.38Å
236N98.7Very high97.9Very high4 Ų436.3 Ų36.32%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-131103.8172.5-174.25.8000110.4V208 A238 R239 I243 G261 L262 D263 V264V208-N236 HydrophobicContact CG2-CB 3.77Å; V208-N236 WeakPolarHBondContact CG2-OD1 3.38Å; N236-A238 PolarHBondContact OD1-N 3.11Å; N236-R239 PolarHBondContact ND2-O 2.8Å; N236-R239 PolarHBondContact OD1-N 3.46Å; N236-R239 PolarHBondContact OD1-O 3.38Å; N236-I243 HydrophobicContact CB-CD1 3.81Å; N236-I243 HydrophobicContact CB-CG1 4.31Å; N236-G261 PolarHBondContact N-O 3.27Å; N236-L262 HydrophobicContact CB-CD2 4.07Å; N236-D263 PolarHBondContact O-N 3.41Å; N236-V264 HydrophobicContact CB-CG2 4.5Å
237C97.5Very high97.9Very high11 Ų1132.8 Ų32.87%0.07417%0.165CC..  trans-11319.6166.8-52.20000111.8T113 L116 D263T113-C237 WeakPolarHBondContact OG1-CB 3.31Å; T113-C237 PolarHBondContact OG1-SG 3.44Å; T113-C237 VanDerWaalsContact OG1-SG 3.41Å; L116-C237 VanDerWaalsContact CD1-SG 3.54Å; C237-D263 HydrophobicContact CB-CB 4.11Å
238A95.3Very high97.9Very high9 Ų928.2 Ų28.27%0.07415%0.145CC..SBendtrans-98.3-82.4-175.500000110.8V208 N236 I242V208-A238 VanDerWaalsContact O-CB 3.29Å; V208-A238 WeakPolarHBondContact O-CB 3.46Å; N236-A238 PolarHBondContact OD1-N 3.11Å; A238-I242 HydrophobicContact CB-CD1 3.74Å
239R94.3Very high98Very high51 Ų5128.8 Ų28.819%0.19215%0.147CC..  trans-143.7145177.3-66.9-64.5-177.8-74.4-15.3111.2D84 L212 N236 I242D84-R239 IonicContact OD1-NE 3.45Å; D84-R239 PolarHBondContact OD1-NE 3.1Å; D84-R239 IonicContact OD2-CZ 3.33Å; D84-R239 IonicContact OD2-NE 3.41Å; D84-R239 PolarHBondContact OD2-NE 3.38Å; D84-R239 IonicContact OD2-NH2 2.87Å; L212-R239 HydrophobicContact CB-CB 3.92Å; L212-R239 HydrophobicContact CB-CG 4.18Å; N236-R239 PolarHBondContact ND2-O 2.8Å; N236-R239 PolarHBondContact OD1-N 3.46Å; N236-R239 PolarHBondContact OD1-O 3.38Å; R239-I242 HydrophobicContact CB-CD1 3.84Å; R239-I242 HydrophobicContact CB-CG1 4.21Å; R239-I242 WeakPolarHBondContact O-CG1 3.4Å
240G95.4Very high98Very high9 Ų930.3 Ų30.39%0.09315%0.151CC..THydrogen-bonded Turntrans-56.6145.7168.300000111.2L212 I242 F265L212-G240 WeakPolarHBondContact CD1-O 3.35Å; L212-G240 WeakPolarHBondContact CD2-O 3.29Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 2.8Å; G240-F265 WeakPolarHBondContact CA-O 3.19Å
241G96.6Very high98Very high10 Ų1022.5 Ų22.510%0.10312%0.118CC..THydrogen-bonded Turntrans82.2-7.9179.300000116G218 I243G218-G241 PolarHBondContact N-O 3.38Å; G241-I243 VanDerWaalsContact C-N 3.29Å
242I98.3Very high98Very high0 Ų021.1 Ų21.10%010%0.103CC..SBendtrans-65.5-39.9168.4-63.2169.3000110.3V208 T210 L212 T216 G218 L219 L220 A238 R239 G240V208-I242 HydrophobicContact CB-CG2 3.86Å; V208-I242 HydrophobicContact CG1-CG2 3.98Å; V208-I242 HydrophobicContact CG2-CB 4.31Å; V208-I242 HydrophobicContact CG2-CD1 4.43Å; V208-I242 HydrophobicContact CG2-CG2 3.82Å; T210-I242 VanDerWaalsContact O-CD1 3.27Å; T210-I242 WeakPolarHBondContact O-CD1 3.34Å; L212-I242 HydrophobicContact CD1-CG1 3.96Å; T216-I242 WeakPolarHBondContact O-CA 3.35Å; G218-I242 CarbonylContact C-O 3.6Å; L219-I242 HydrophobicContact CB-CG2 4.14Å; L219-I242 WeakPolarHBondContact CB-O 3.23Å; L219-I242 HydrophobicContact CD2-CG2 4.37Å; L219-I242 PolarHBondContact N-O 2.97Å; L220-I242 PolarHBondContact N-O 3.12Å; A238-I242 HydrophobicContact CB-CD1 3.74Å; R239-I242 HydrophobicContact CB-CD1 3.84Å; R239-I242 HydrophobicContact CB-CG1 4.21Å; R239-I242 WeakPolarHBondContact O-CG1 3.4Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 2.8Å
243I98.6Very high98Very high5 Ų527.4 Ų27.43%0.02613%0.132CC..BIsolated β-bridgetrans-97.1127.9167.2-53.5-174.6000106.5V208 L220 F225 V234 N236 G241 E245 L248V208-I243 HydrophobicContact CG2-CG1 4.46Å; L220-I243 HydrophobicContact CB-CB 4.38Å; L220-I243 HydrophobicContact CB-CG1 4.18Å; L220-I243 HydrophobicContact CB-CG2 4.01Å; L220-I243 HydrophobicContact CD1-CG1 4.25Å; F225-I243 HydrophobicContact CE2-CG2 4.29Å; F225-I243 HydrophobicContact CZ-CG2 4.11Å; V234-I243 HydrophobicContact CB-CD1 4.24Å; V234-I243 HydrophobicContact CG2-CD1 4.02Å; N236-I243 HydrophobicContact CB-CD1 3.81Å; N236-I243 HydrophobicContact CB-CG1 4.31Å; G241-I243 VanDerWaalsContact C-N 3.29Å; I243-E245 PolarHBondContact O-N 3.43Å; I243-L248 HydrophobicContact CG2-CB 3.9Å; I243-L248 HydrophobicContact CG2-CD2 4.09Å; I243-L248 HydrophobicContact CG2-CG 4.42Å
244D98.6Very high98Very high54 Ų5429.6 Ų29.629%0.28915%0.152SC..  trans-65.2112.4168.8-180-37.7000108.3L220 N221 E246 A247 L248L220-D244 WeakPolarHBondContact O-CB 3.42Å; L220-D244 PolarHBondContact O-N 3.18Å; N221-D244 HydrophobicContact CB-CB 4.32Å; D244-E246 VanDerWaalsContact C-N 3.3Å; D244-E246 PolarHBondContact O-N 2.75Å; D244-E246 PolarHBondContact OD1-N 3.12Å; D244-A247 HydrophobicContact CB-CB 3.81Å; D244-A247 PolarHBondContact O-N 3.28Å; D244-A247 PolarHBondContact OD1-N 3.38Å; D244-L248 WeakPolarHBondContact O-CB 3.46Å; D244-L248 PolarHBondContact O-N 3.21Å
245E98.5Very high97.9Very high29 Ų2931 Ų3114%0.13617%0.166CC..Hα-helixtrans-63.7-34.2-174-71.7-173.2-158.400112.7I243 L249 F265 I266 L275I243-E245 PolarHBondContact O-N 3.43Å; E245-L249 PolarHBondContact O-N 2.76Å; E245-F265 WeakPolarHBondContact OE1-CA 3.42Å; E245-I266 HydrophobicContact CG-CD1 4.1Å; E245-I266 HydrophobicContact CG-CG1 4.43Å; E245-I266 WeakPolarHBondContact OE1-CG1 3.41Å; E245-I266 PolarHBondContact OE1-N 2.76Å; E245-L275 HydrophobicContact CB-CD1 3.59Å; E245-L275 HydrophobicContact CG-CD1 3.8Å
246E98.4Very high97.9Very high88 Ų8832.9 Ų32.941%0.41118%0.175SC..Hα-helixtrans-78.1-39.9-179.6-65-62142.100110.9D244 L248 L249 R250 N272D244-E246 VanDerWaalsContact C-N 3.3Å; D244-E246 PolarHBondContact O-N 2.75Å; D244-E246 PolarHBondContact OD1-N 3.12Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L249 PolarHBondContact O-N 3.47Å; E246-R250 PolarHBondContact O-N 2.94Å; E246-R250 VanDerWaalsContact O-N 3.11Å; E246-R250 PolarHBondContact O-NH1 2.96Å; E246-N272 PolarHBondContact OE1-ND2 3.38Å; E246-N272 VanDerWaalsContact OE1-ND2 3.11Å
247A98.7Very high97.9Very high0 Ų032.7 Ų32.70%017%0.174CC..Hα-helixtrans-63.9-39.9172.200000111.6F225 D244 L249 R250 A251F225-A247 HydrophobicContact CD2-CB 4.48Å; D244-A247 HydrophobicContact CB-CB 3.81Å; D244-A247 PolarHBondContact O-N 3.28Å; D244-A247 PolarHBondContact OD1-N 3.38Å; A247-L249 VanDerWaalsContact C-N 3.34Å; A247-L249 PolarHBondContact O-N 3.33Å; A247-R250 PolarHBondContact O-N 2.88Å; A247-A251 WeakPolarHBondContact O-CB 3.41Å; A247-A251 PolarHBondContact O-N 2.98Å
248L98.8Very high98Very high1 Ų133.5 Ų33.51%0.00518%0.184CC..Hα-helixtrans-60.5-44.1174.5175.361.2000111.3F225 V234 I243 D244 E246 A251 L252 C257 A260 L262 L275F225-L248 HydrophobicContact CE1-CD1 4.28Å; F225-L248 HydrophobicContact CE2-CB 4.24Å; F225-L248 HydrophobicContact CE2-CD1 4.4Å; F225-L248 HydrophobicContact CZ-CB 4.3Å; F225-L248 HydrophobicContact CZ-CD1 3.7Å; V234-L248 HydrophobicContact CG2-CD1 3.8Å; I243-L248 HydrophobicContact CG2-CB 3.9Å; I243-L248 HydrophobicContact CG2-CD2 4.09Å; I243-L248 HydrophobicContact CG2-CG 4.42Å; D244-L248 WeakPolarHBondContact O-CB 3.46Å; D244-L248 PolarHBondContact O-N 3.21Å; E246-L248 VanDerWaalsContact C-N 3.33Å; L248-A251 PolarHBondContact O-N 3.39Å; L248-L252 HydrophobicContact CD1-CD1 4.07Å; L248-L252 HydrophobicContact CD1-CG 4.08Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.47Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.2Å; L248-C257 HydrophobicContact CD1-CB 4.45Å; L248-A260 HydrophobicContact CD1-CB 4.06Å; L248-A260 HydrophobicContact CD2-CB 3.91Å; L248-A260 HydrophobicContact CG-CB 4.47Å; L248-L262 HydrophobicContact CD2-CD1 3.95Å; L248-L262 HydrophobicContact CD2-CD2 4.12Å; L248-L275 HydrophobicContact CB-CD2 4.46Å; L248-L275 HydrophobicContact CD2-CD1 4.23Å; L248-L275 HydrophobicContact CD2-CD2 4Å; L248-L275 HydrophobicContact CG-CD2 4Å
249L98.8Very high98.1Very high21 Ų2133.1 Ų33.111%0.1118%0.182CC..Hα-helixtrans-58.9-49177.2-177.562.6000111.3E245 E246 A247 A251 L252 E253 L275E245-L249 PolarHBondContact O-N 2.76Å; E246-L249 PolarHBondContact O-N 3.47Å; A247-L249 VanDerWaalsContact C-N 3.34Å; A247-L249 PolarHBondContact O-N 3.33Å; L249-A251 VanDerWaalsContact C-N 3.32Å; L249-A251 PolarHBondContact O-N 3.11Å; L249-L252 WeakPolarHBondContact O-CB 3.46Å; L249-L252 PolarHBondContact O-N 2.85Å; L249-E253 WeakPolarHBondContact O-CG 3.5Å; L249-E253 PolarHBondContact O-N 2.83Å; L249-L275 HydrophobicContact CB-CD2 4Å; L249-L275 HydrophobicContact CD1-CD2 4.24Å
250R98.8Very high98.3Very high105 Ų10530.7 Ų30.740%0.39617%0.172SC..Hα-helixtrans-60.6-39.8175.5-70-174.8-68.1-82.76.9112.7D222 E246 A247 L252 E253 S254D222-R250 IonicContact OD1-CZ 3.14Å; D222-R250 IonicContact OD1-NE 2.65Å; D222-R250 PolarHBondContact OD1-NE 2.89Å; D222-R250 IonicContact OD1-NH2 3.3Å; D222-R250 PolarHBondContact OD1-NH2 2.84Å; D222-R250 IonicContact OD2-CZ 3.33Å; D222-R250 IonicContact OD2-NE 2.75Å; D222-R250 IonicContact OD2-NH2 2.67Å; D222-R250 PolarHBondContact OD2-NH2 2.82Å; E246-R250 PolarHBondContact O-N 2.94Å; E246-R250 VanDerWaalsContact O-N 3.11Å; E246-R250 PolarHBondContact O-NH1 2.96Å; A247-R250 PolarHBondContact O-N 2.88Å; R250-L252 VanDerWaalsContact C-N 3.34Å; R250-E253 PolarHBondContact O-N 3.19Å; R250-S254 WeakPolarHBondContact O-CB 3.34Å; R250-S254 PolarHBondContact O-N 3.41Å; R250-S254 PolarHBondContact O-OG 3.06Å
251A98.8Very high98.5Very high5 Ų530.3 Ų30.34%0.04117%0.168CC..Hα-helixtrans-65.8-37.5177.300000111.8F225 A247 L248 L249 S254 G255 Q256 C257F225-A251 HydrophobicContact CB-CB 4.19Å; F225-A251 HydrophobicContact CD1-CB 4.05Å; F225-A251 HydrophobicContact CD2-CB 3.96Å; F225-A251 HydrophobicContact CE1-CB 4.45Å; F225-A251 HydrophobicContact CE2-CB 4.38Å; F225-A251 HydrophobicContact CG-CB 3.81Å; A247-A251 WeakPolarHBondContact O-CB 3.41Å; A247-A251 PolarHBondContact O-N 2.98Å; L248-A251 PolarHBondContact O-N 3.39Å; L249-A251 VanDerWaalsContact C-N 3.32Å; L249-A251 PolarHBondContact O-N 3.11Å; A251-S254 PolarHBondContact O-OG 2.83Å; A251-S254 VanDerWaalsContact O-OG 3.14Å; A251-G255 PolarHBondContact O-N 2.87Å; A251-Q256 HydrophobicContact CB-CB 4.37Å; A251-Q256 PolarHBondContact O-N 3.36Å; A251-C257 HydrophobicContact CB-CB 3.8Å; A251-C257 PolarHBondContact O-N 3.14Å
252L98.8Very high98.6Very high6 Ų630 Ų303%0.03116%0.164CC..Hα-helixtrans-67.3-44.5174.9-72.8164.3000111.8L248 L249 R250 G255 C257 L275 N280 V281L248-L252 HydrophobicContact CD1-CD1 4.07Å; L248-L252 HydrophobicContact CD1-CG 4.08Å; L248-L252 HydrophobicContact CG-CD1 3.9Å; L248-L252 HydrophobicContact CG-CG 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.47Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.36Å; L248-L252 PolarHBondContact O-N 3.2Å; L249-L252 WeakPolarHBondContact O-CB 3.46Å; L249-L252 PolarHBondContact O-N 2.85Å; R250-L252 VanDerWaalsContact C-N 3.34Å; L252-G255 PolarHBondContact O-N 3.47Å; L252-C257 HydrophobicContact CD2-CB 4.16Å; L252-C257 HydrophobicContact CG-CB 4.32Å; L252-L275 HydrophobicContact CD1-CD2 3.84Å; L252-N280 HydrophobicContact CD2-CB 4.33Å; L252-V281 HydrophobicContact CD1-CG2 3.5Å
253E98.5Very high98.6Very high133 Ų13330.1 Ų30.162%0.62117%0.165SC*.Hα-helixtrans-65.8-38.9180-72.2175.4166.600112.5L249 R250 G255L249-E253 WeakPolarHBondContact O-CG 3.5Å; L249-E253 PolarHBondContact O-N 2.83Å; R250-E253 PolarHBondContact O-N 3.19Å; E253-G255 VanDerWaalsContact C-N 3.27Å; E253-G255 PolarHBondContact O-N 2.88Å
254S98.4Very high98.4Very high80 Ų8030 Ų3056%0.55916%0.164SC*.THydrogen-bonded Turntrans-76.6-12.2175.860.80000113.9R250 A251 Q256R250-S254 WeakPolarHBondContact O-CB 3.34Å; R250-S254 PolarHBondContact O-N 3.41Å; R250-S254 PolarHBondContact O-OG 3.06Å; A251-S254 PolarHBondContact O-OG 2.83Å; A251-S254 VanDerWaalsContact O-OG 3.14Å; S254-Q256 PolarHBondContact O-N 3.36Å; S254-Q256 PolarHBondContact OG-N 3.48Å
255G98.3Very high98.3Very high30 Ų3028.1 Ų28.131%0.30915%0.153SC..THydrogen-bonded Turntrans71.911.4-172.700000114.1G231 A251 L252 E253 C257G231-G255 PolarHBondContact N-O 2.87Å; A251-G255 PolarHBondContact O-N 2.87Å; L252-G255 PolarHBondContact O-N 3.47Å; E253-G255 VanDerWaalsContact C-N 3.27Å; E253-G255 PolarHBondContact O-N 2.88Å; G255-C257 VanDerWaalsContact C-N 3.3Å
256Q98.8Very high98.1Very high39 Ų3932.3 Ų32.318%0.18218%0.175CC..SBendtrans-62.8-42.5168.4-177.757.227.200110F225 C228 G231 V232 A251 S254F225-Q256 HydrophobicContact CB-CG 4.31Å; F225-Q256 WeakPolarHBondContact O-CG 3.33Å; F225-Q256 PolarHBondContact O-NE2 2.88Å; C228-Q256 PolarHBondContact O-NE2 3.47Å; G231-Q256 PolarHBondContact N-O 3.11Å; V232-Q256 PolarHBondContact N-O 3.08Å; A251-Q256 HydrophobicContact CB-CB 4.37Å; A251-Q256 PolarHBondContact O-N 3.36Å; S254-Q256 PolarHBondContact O-N 3.36Å; S254-Q256 PolarHBondContact OG-N 3.48Å
257C98.8Very high97.9Very high1 Ų132.2 Ų32.21%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-98.5125.5166.9-1750000109.9F225 V232 L248 A251 L252 G255 G259F225-C257 HydrophobicContact CD1-CB 4.47Å; F225-C257 HydrophobicContact CE1-CB 4.27Å; V232-C257 CarbonylContact O-C 3.56Å; V232-C257 VanDerWaalsContact O-CA 3.31Å; V232-C257 WeakPolarHBondContact O-CA 3.26Å; V232-C257 PolarHBondContact O-SG 3.15Å; L248-C257 HydrophobicContact CD1-CB 4.45Å; A251-C257 HydrophobicContact CB-CB 3.8Å; A251-C257 PolarHBondContact O-N 3.14Å; L252-C257 HydrophobicContact CD2-CB 4.16Å; L252-C257 HydrophobicContact CG-CB 4.32Å; G255-C257 VanDerWaalsContact C-N 3.3Å; C257-G259 VanDerWaalsContact C-N 3.35Å; C257-G259 PolarHBondContact SG-O 2.86Å
258G98Very high97.4Very high27 Ų2736.4 Ų36.428%0.27820%0.195SC..EExtended strand (participates in β ladder)trans-83.3-8.1-179.500000114.4V232V232-G258 PolarHBondContact O-N 3.36Å
259G98.5Very high97.1Very high2 Ų241.8 Ų41.82%0.02123%0.23CC..EExtended strand (participates in β ladder)trans160.8159177.900000113.4K233 V234 C257 N280K233-G259 VanDerWaalsContact CA-O 3.28Å; K233-G259 WeakPolarHBondContact CA-O 3.4Å; V234-G259 PolarHBondContact N-O 3.14Å; C257-G259 VanDerWaalsContact C-N 3.35Å; C257-G259 PolarHBondContact SG-O 2.86Å; G259-N280 CarbonylContact C-O 3.55Å; G259-N280 WeakPolarHBondContact CA-O 3.48Å
260A98.8Very high96.8Very high0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-137.5139.9-177.300000113.6V234 L248 L262 N280 V281 I282V234-A260 HydrophobicContact CG2-CB 3.71Å; V234-A260 CarbonylContact O-C 3.59Å; V234-A260 VanDerWaalsContact O-CA 3.24Å; V234-A260 WeakPolarHBondContact O-CA 3.4Å; L248-A260 HydrophobicContact CD1-CB 4.06Å; L248-A260 HydrophobicContact CD2-CB 3.91Å; L248-A260 HydrophobicContact CG-CB 4.47Å; A260-L262 HydrophobicContact CB-CD2 4.42Å; A260-L262 HydrophobicContact CB-CG 4.35Å; A260-N280 PolarHBondContact N-O 3.19Å; A260-V281 HydrophobicContact CB-CG2 4.27Å; A260-V281 CarbonylContact O-C 3.52Å; A260-V281 VanDerWaalsContact O-CA 3.3Å; A260-V281 WeakPolarHBondContact O-CA 3.4Å; A260-I282 PolarHBondContact O-N 2.99Å
261G98.8Very high96.6Very high0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-110.6111173.900000109.5V234 V235 N236 I282V234-G261 PolarHBondContact O-N 2.84Å; V235-G261 CarbonylContact C-O 3.27Å; V235-G261 VanDerWaalsContact CA-O 3.28Å; V235-G261 WeakPolarHBondContact CA-O 3.38Å; N236-G261 PolarHBondContact N-O 3.27Å; G261-I282 CarbonylContact C-O 3.49Å; G261-I282 VanDerWaalsContact CA-O 3.28Å; G261-I282 WeakPolarHBondContact CA-O 3.4Å
262L98.7Very high96.3Very high5 Ų547.8 Ų47.83%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-122.3115.6-171.6-56.9178.2000110.8N236 L248 A260 F265 L275 V281 I282 S283 C284N236-L262 HydrophobicContact CB-CD2 4.07Å; L248-L262 HydrophobicContact CD2-CD1 3.95Å; L248-L262 HydrophobicContact CD2-CD2 4.12Å; A260-L262 HydrophobicContact CB-CD2 4.42Å; A260-L262 HydrophobicContact CB-CG 4.35Å; L262-F265 HydrophobicContact CB-CZ 4.11Å; L262-F265 HydrophobicContact CD1-CE1 4.11Å; L262-F265 HydrophobicContact CD1-CZ 4.42Å; L262-L275 HydrophobicContact CD1-CB 4.38Å; L262-L275 HydrophobicContact CD1-CD1 4.02Å; L262-V281 HydrophobicContact CD1-CG1 4.16Å; L262-V281 HydrophobicContact CG-CG1 4.45Å; L262-I282 PolarHBondContact N-O 3.49Å; L262-S283 CarbonylContact O-C 3.49Å; L262-S283 WeakPolarHBondContact O-CA 3.08Å; L262-C284 PolarHBondContact O-N 2.9Å
263D97.8Very high96.2Very high1 Ų153.4 Ų53.41%0.00528%0.284CS..SBendtrans-96.4-15.7171.5-167.351.6000112.5L112 N236 C237 C284 H286 L287 G288L112-D263 HydrophobicContact CD2-CB 4.16Å; L112-D263 VanDerWaalsContact CD2-CG 3.48Å; L112-D263 WeakPolarHBondContact CD2-OD2 3.29Å; N236-D263 PolarHBondContact O-N 3.41Å; C237-D263 HydrophobicContact CB-CB 4.11Å; D263-C284 CarbonylContact C-O 3.54Å; D263-C284 HydrophobicContact CB-CB 4.48Å; D263-C284 VanDerWaalsContact O-O 3.14Å; D263-C284 WeakPolarHBondContact OD1-CB 3.24Å; D263-H286 WeakPolarHBondContact O-CA 3.47Å; D263-H286 PolarHBondContact O-N 3.41Å; D263-H286 WeakPolarHBondContact OD1-CA 3.25Å; D263-H286 PolarHBondContact OD1-N 3.03Å; D263-H286 WeakPolarHBondContact OD2-CA 3.09Å; D263-L287 PolarHBondContact OD1-N 3.32Å; D263-L287 PolarHBondContact OD2-N 3Å; D263-G288 PolarHBondContact OD2-N 3.21Å
264V95.9Very high96.2Very high3 Ų349.8 Ų49.82%0.01827%0.273CS..  trans-134.8150.2-171-67.60000110.6N236 E268N236-V264 HydrophobicContact CB-CG2 4.5Å; V264-E268 WeakPolarHBondContact CA-OE1 3.41Å; V264-E268 WeakPolarHBondContact CB-OE1 3.45Å
265F96.5Very high96.2Very high14 Ų1446.3 Ų46.36%0.06125%0.248CC..  trans-136.2158.7-177.7-65.9-91.2000110.4G240 E245 L262 E267 E268 P270 V276G240-F265 WeakPolarHBondContact CA-O 3.19Å; E245-F265 WeakPolarHBondContact OE1-CA 3.42Å; L262-F265 HydrophobicContact CB-CZ 4.11Å; L262-F265 HydrophobicContact CD1-CE1 4.11Å; L262-F265 HydrophobicContact CD1-CZ 4.42Å; F265-E267 VanDerWaalsContact C-N 3.29Å; F265-E267 WeakPolarHBondContact CB-O 3.34Å; F265-E267 PolarHBondContact O-N 2.94Å; F265-E268 HydrophobicContact CB-CG 4.02Å; F265-E268 PolarHBondContact N-OE1 2.77Å; F265-P270 HydrophobicContact CB-CB 4.26Å; F265-P270 HydrophobicContact CD1-CB 4.01Å; F265-P270 HydrophobicContact CD1-CG 4.24Å; F265-P270 HydrophobicContact CD2-CG 4.07Å; F265-P270 HydrophobicContact CE1-CG 4.44Å; F265-P270 HydrophobicContact CE2-CG 4.29Å; F265-P270 HydrophobicContact CG-CB 4.01Å; F265-P270 HydrophobicContact CG-CG 4.05Å; F265-P270 HydrophobicContact CZ-CG 4.47Å; F265-V276 HydrophobicContact CE1-CG2 3.92Å; F265-V276 HydrophobicContact CZ-CG2 3.79Å
266I94.3Very high96.1Very high117 Ų11746.1 Ų46.160%0.624%0.241SC*.SBendtrans-59.2-45.8175.3-67.7168.1000110E245E245-I266 HydrophobicContact CG-CD1 4.1Å; E245-I266 HydrophobicContact CG-CG1 4.43Å; E245-I266 WeakPolarHBondContact OE1-CG1 3.41Å; E245-I266 PolarHBondContact OE1-N 2.76Å
267E92.4Very high96.1Very high86 Ų8649.3 Ų49.340%0.40226%0.26SS..SBendtrans-111.6125.6173.2-172.3177.7-163.400109.4F265 P269 P270 K271F265-E267 VanDerWaalsContact C-N 3.29Å; F265-E267 WeakPolarHBondContact CB-O 3.34Å; F265-E267 PolarHBondContact O-N 2.94Å; E267-P269 CarbonylContact O-C 3.59Å; E267-P269 VanDerWaalsContact O-C 3.27Å; E267-P270 WeakPolarHBondContact O-CA 3.48Å; E267-P270 VanDerWaalsContact O-N 3.11Å; E267-K271 WeakPolarHBondContact OE1-CD 3.42Å; E267-K271 WeakPolarHBondContact OE1-CE 3.43Å; E267-K271 IonicContact OE1-NZ 3.52Å; E267-K271 PolarHBondContact OE1-NZ 3.46Å; E267-K271 WeakPolarHBondContact OE2-CD 3.33Å; E267-K271 WeakPolarHBondContact OE2-CG 3.33Å; E267-K271 IonicContact OE2-NZ 3.34Å
268E89.4Confident96Very high88 Ų8850.7 Ų50.741%0.41127%0.266SS..SBendtrans-123.9116.3-179.2-68.3-179.2-168.300110.4V264 F265 H286V264-E268 WeakPolarHBondContact CA-OE1 3.41Å; V264-E268 WeakPolarHBondContact CB-OE1 3.45Å; F265-E268 HydrophobicContact CB-CG 4.02Å; F265-E268 PolarHBondContact N-OE1 2.77Å; E268-H286 IonicContact OE1-ND1 2.7Å; E268-H286 PolarHBondContact OE1-ND1 3.4Å; E268-H286 IonicContact OE2-CE1 3.59Å; E268-H286 IonicContact OE2-CG 2.67Å; E268-H286 IonicContact OE2-ND1 3.71Å; E268-H286 PolarHBondContact OE2-ND1 2.87Å
269P92.1Very high95.9Very high114 Ų11453.8 Ų53.874%0.7428%0.281SS*.SBendcis-70.4147.6-0.9-17.732.5000114.1E267 K271E267-P269 CarbonylContact O-C 3.59Å; E267-P269 VanDerWaalsContact O-C 3.27Å; P269-K271 PolarHBondContact O-N 3.04Å
270P93.1Very high95.9Very high28 Ų2857 Ų5718%0.18230%0.297CS..  trans-69.7122-176.126.8-34.5000111.9F265 E267 V276F265-P270 HydrophobicContact CB-CB 4.26Å; F265-P270 HydrophobicContact CD1-CB 4.01Å; F265-P270 HydrophobicContact CD1-CG 4.24Å; F265-P270 HydrophobicContact CD2-CG 4.07Å; F265-P270 HydrophobicContact CE1-CG 4.44Å; F265-P270 HydrophobicContact CE2-CG 4.29Å; F265-P270 HydrophobicContact CG-CB 4.01Å; F265-P270 HydrophobicContact CG-CG 4.05Å; F265-P270 HydrophobicContact CZ-CG 4.47Å; E267-P270 WeakPolarHBondContact O-CA 3.48Å; E267-P270 VanDerWaalsContact O-N 3.11Å; P270-V276 HydrophobicContact CG-CG2 3.89Å
271K93.5Very high95.9Very high160 Ų16057.5 Ų57.570%0.69630%0.301SS*.SBendtrans-73.4-43.3171.3-71.4-177.8-177.1140.30111.7E267 P269 R273E267-K271 WeakPolarHBondContact OE1-CD 3.42Å; E267-K271 WeakPolarHBondContact OE1-CE 3.43Å; E267-K271 IonicContact OE1-NZ 3.52Å; E267-K271 PolarHBondContact OE1-NZ 3.46Å; E267-K271 WeakPolarHBondContact OE2-CD 3.33Å; E267-K271 WeakPolarHBondContact OE2-CG 3.33Å; E267-K271 IonicContact OE2-NZ 3.34Å; P269-K271 PolarHBondContact O-N 3.04Å; K271-R273 PolarHBondContact O-N 3.13Å
272N92.9Very high95.9Very high69 Ų6958.1 Ų58.137%0.36930%0.304SS..  trans-73.8116.2171.5-173.8-9.7000109E246 S274E246-N272 PolarHBondContact OE1-ND2 3.38Å; E246-N272 VanDerWaalsContact OE1-ND2 3.11Å; N272-S274 WeakPolarHBondContact OD1-CB 3.4Å; N272-S274 PolarHBondContact OD1-N 3.35Å; N272-S274 PolarHBondContact OD1-OG 3Å
273R96.9Very high95.8Very high124 Ų12459.8 Ų59.847%0.46832%0.316SS..  trans-96.9-0.6-175.6-68.3-70.6-57.1-172.60.9113.3K271 L275 V276 N277K271-R273 PolarHBondContact O-N 3.13Å; R273-L275 PolarHBondContact O-N 3.47Å; R273-V276 PolarHBondContact O-N 3.1Å; R273-N277 PolarHBondContact NH2-OD1 2.85Å; R273-N277 VanDerWaalsContact NH2-OD1 3.13Å; R273-N277 VanDerWaalsContact O-CB 3.32Å; R273-N277 WeakPolarHBondContact O-CB 3.5Å; R273-N277 VanDerWaalsContact O-CG 3.23Å; R273-N277 PolarHBondContact O-N 3.1Å; R273-N277 PolarHBondContact O-ND2 3.4Å
274S97.9Very high95.8Very high58 Ų5860.9 Ų60.941%0.40632%0.323SS..Hα-helixtrans-57.6-50.4-173.9-64.20000112.5N272 N277 H278N272-S274 WeakPolarHBondContact OD1-CB 3.4Å; N272-S274 PolarHBondContact OD1-N 3.35Å; N272-S274 PolarHBondContact OD1-OG 3Å; S274-N277 PolarHBondContact O-N 3.37Å; S274-H278 WeakPolarHBondContact O-CB 3.42Å; S274-H278 PolarHBondContact O-N 3Å; S274-H278 VanDerWaalsContact O-N 3.13Å
275L98.1Very high95.7Very high7 Ų765.9 Ų65.94%0.03736%0.356CS..Hα-helixtrans-64.5-45174.7-73.2176.9000112E245 L248 L249 L252 L262 R273 N277 H278 V281E245-L275 HydrophobicContact CB-CD1 3.59Å; E245-L275 HydrophobicContact CG-CD1 3.8Å; L248-L275 HydrophobicContact CB-CD2 4.46Å; L248-L275 HydrophobicContact CD2-CD1 4.23Å; L248-L275 HydrophobicContact CD2-CD2 4Å; L248-L275 HydrophobicContact CG-CD2 4Å; L249-L275 HydrophobicContact CB-CD2 4Å; L249-L275 HydrophobicContact CD1-CD2 4.24Å; L252-L275 HydrophobicContact CD1-CD2 3.84Å; L262-L275 HydrophobicContact CD1-CB 4.38Å; L262-L275 HydrophobicContact CD1-CD1 4.02Å; R273-L275 PolarHBondContact O-N 3.47Å; L275-N277 PolarHBondContact O-N 2.95Å; L275-H278 WeakPolarHBondContact O-CB 3.17Å; L275-H278 PolarHBondContact O-N 3.24Å; L275-H278 VanDerWaalsContact O-N 3.15Å; L275-V281 WeakPolarHBondContact O-CB 3.41Å; L275-V281 VanDerWaalsContact O-CG1 3.28Å; L275-V281 WeakPolarHBondContact O-CG1 3.4Å; L275-V281 WeakPolarHBondContact O-CG2 3.27Å
276V97.4Very high95.6Very high25 Ų2568.1 Ų68.115%0.15237%0.367CS..Hα-helixtrans-59.9-36.1-178.4-176.70000112.1F265 P270 R273 S283F265-V276 HydrophobicContact CE1-CG2 3.92Å; F265-V276 HydrophobicContact CZ-CG2 3.79Å; P270-V276 HydrophobicContact CG-CG2 3.89Å; R273-V276 PolarHBondContact O-N 3.1Å; V276-S283 WeakPolarHBondContact CG1-OG 3.37Å
277N97.4Very high95.5Very high107 Ų10765.9 Ų65.957%0.57236%0.355SS*.Hα-helixtrans-90.2-7.3-177.7-64.2-15.3000113.1R273 S274 L275R273-N277 PolarHBondContact NH2-OD1 2.85Å; R273-N277 VanDerWaalsContact NH2-OD1 3.13Å; R273-N277 VanDerWaalsContact O-CB 3.32Å; R273-N277 WeakPolarHBondContact O-CB 3.5Å; R273-N277 VanDerWaalsContact O-CG 3.23Å; R273-N277 PolarHBondContact O-N 3.1Å; R273-N277 PolarHBondContact O-ND2 3.4Å; S274-N277 PolarHBondContact O-N 3.37Å; L275-N277 PolarHBondContact O-N 2.95Å
278H98.3Very high95.4Very high30 Ų3062.1 Ų62.114%0.13934%0.339CS..  trans-68.8133.6-176.7-172.5-80.5000110.9S274 L275 N280 V281S274-H278 WeakPolarHBondContact O-CB 3.42Å; S274-H278 PolarHBondContact O-N 3Å; S274-H278 VanDerWaalsContact O-N 3.13Å; L275-H278 WeakPolarHBondContact O-CB 3.17Å; L275-H278 PolarHBondContact O-N 3.24Å; L275-H278 VanDerWaalsContact O-N 3.15Å; H278-N280 VanDerWaalsContact C-N 3.26Å; H278-N280 PolarHBondContact ND1-N 3.35Å; H278-N280 VanDerWaalsContact ND1-N 3.2Å; H278-N280 PolarHBondContact O-N 3.38Å; H278-N280 VanDerWaalsContact O-N 3.16Å; H278-V281 HydrophobicContact CB-CB 4.19Å; H278-V281 HydrophobicContact CB-CG2 3.74Å; H278-V281 PolarHBondContact O-N 3.35Å
279P96.3Very high95.4Very high92 Ų9258.6 Ų58.660%0.59733%0.326SS*.THydrogen-bonded Turntrans-62.3-29.4-171.422.8-34.6000114.5Q126 V281Q126-P279 PolarHBondContact NE2-O 3.13Å; P279-V281 VanDerWaalsContact C-N 3.34Å
280N97.4Very high95.3Very high68 Ų6856.3 Ų56.336%0.36431%0.312SS..THydrogen-bonded Turntrans-92.29.6178.6-58.6-25.8000113.5L252 G259 A260 H278L252-N280 HydrophobicContact CD2-CB 4.33Å; G259-N280 CarbonylContact C-O 3.55Å; G259-N280 WeakPolarHBondContact CA-O 3.48Å; A260-N280 PolarHBondContact N-O 3.19Å; H278-N280 VanDerWaalsContact C-N 3.26Å; H278-N280 PolarHBondContact ND1-N 3.35Å; H278-N280 VanDerWaalsContact ND1-N 3.2Å; H278-N280 PolarHBondContact O-N 3.38Å; H278-N280 VanDerWaalsContact O-N 3.16Å
281V98.6Very high95.3Very high11 Ų1156.8 Ų56.87%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-107.2133.8177.5177.90000109.9L252 A260 L262 L275 H278 P279L252-V281 HydrophobicContact CD1-CG2 3.5Å; A260-V281 HydrophobicContact CB-CG2 4.27Å; A260-V281 CarbonylContact O-C 3.52Å; A260-V281 VanDerWaalsContact O-CA 3.3Å; A260-V281 WeakPolarHBondContact O-CA 3.4Å; L262-V281 HydrophobicContact CD1-CG1 4.16Å; L262-V281 HydrophobicContact CG-CG1 4.45Å; L275-V281 WeakPolarHBondContact O-CB 3.41Å; L275-V281 VanDerWaalsContact O-CG1 3.28Å; L275-V281 WeakPolarHBondContact O-CG1 3.4Å; L275-V281 WeakPolarHBondContact O-CG2 3.27Å; H278-V281 HydrophobicContact CB-CB 4.19Å; H278-V281 HydrophobicContact CB-CG2 3.74Å; H278-V281 PolarHBondContact O-N 3.35Å; P279-V281 VanDerWaalsContact C-N 3.34Å
282I98.6Very high95.3Very high14 Ų1457.5 Ų57.57%0.07232%0.318CS..EExtended strand (participates in β ladder)trans-110.4118.1167.5-60.6169.7000105.7L116 L120 P125 A260 G261 L262L116-I282 HydrophobicContact CD2-CB 4.42Å; L116-I282 HydrophobicContact CD2-CG2 3.67Å; L120-I282 HydrophobicContact CD2-CD1 3.85Å; L120-I282 HydrophobicContact CD2-CG1 4.18Å; L120-I282 HydrophobicContact CG-CD1 4.13Å; P125-I282 HydrophobicContact CG-CD1 3.83Å; P125-I282 HydrophobicContact CG-CG1 4.05Å; P125-I282 HydrophobicContact CG-CG2 3.88Å; A260-I282 PolarHBondContact O-N 2.99Å; G261-I282 CarbonylContact C-O 3.49Å; G261-I282 VanDerWaalsContact CA-O 3.28Å; G261-I282 WeakPolarHBondContact CA-O 3.4Å; L262-I282 PolarHBondContact N-O 3.49Å
283S97.3Very high95.5Very high39 Ų3959.5 Ų59.527%0.27333%0.325SS..EExtended strand (participates in β ladder)trans-121148.1178.754.60000112.8L262 V276L262-S283 CarbonylContact O-C 3.49Å; L262-S283 WeakPolarHBondContact O-CA 3.08Å; V276-S283 WeakPolarHBondContact CG1-OG 3.37Å
284C97.1Very high95.3Very high25 Ų2553.6 Ų53.617%0.16930%0.303CS..  trans-128.8149.3178.7-680000109.8L262 D263 H286 L287L262-C284 PolarHBondContact O-N 2.9Å; D263-C284 CarbonylContact C-O 3.54Å; D263-C284 HydrophobicContact CB-CB 4.48Å; D263-C284 VanDerWaalsContact O-O 3.14Å; D263-C284 WeakPolarHBondContact OD1-CB 3.24Å; C284-H286 VanDerWaalsContact C-N 3.26Å; C284-H286 PolarHBondContact O-N 2.83Å; C284-L287 HydrophobicContact CB-CD1 4.04Å; C284-L287 HydrophobicContact CB-CG 4.21Å
285P94.9Very high95Very high108 Ų10852.3 Ų52.370%0.70129%0.29SS*.SBendtrans-84.764.1-179.535.5-37.3000111.3L287P285-L287 HydrophobicContact CG-CD1 4.41Å; P285-L287 HydrophobicContact CG-CD2 4.03Å; P285-L287 HydrophobicContact CG-CG 4.1Å
286H93.1Very high94.8Very high61 Ų6153.4 Ų53.428%0.28230%0.3SS..SBendtrans54.857.7176.2-157.4152.8000113.5D263 E268 C284D263-H286 WeakPolarHBondContact O-CA 3.47Å; D263-H286 PolarHBondContact O-N 3.41Å; D263-H286 WeakPolarHBondContact OD1-CA 3.25Å; D263-H286 PolarHBondContact OD1-N 3.03Å; D263-H286 WeakPolarHBondContact OD2-CA 3.09Å; E268-H286 IonicContact OE1-ND1 2.7Å; E268-H286 PolarHBondContact OE1-ND1 3.4Å; E268-H286 IonicContact OE2-CE1 3.59Å; E268-H286 IonicContact OE2-CG 2.67Å; E268-H286 IonicContact OE2-ND1 3.71Å; E268-H286 PolarHBondContact OE2-ND1 2.87Å; C284-H286 VanDerWaalsContact C-N 3.26Å; C284-H286 PolarHBondContact O-N 2.83Å
287L92.9Very high94.7Very high70 Ų7056.3 Ų56.337%0.36631%0.308SS..  trans-91-3.1-176.3-61.2-177.4000114.6L112 D263 C284 P285 A289 S290L112-L287 HydrophobicContact CD2-CB 3.97Å; D263-L287 PolarHBondContact OD1-N 3.32Å; D263-L287 PolarHBondContact OD2-N 3Å; C284-L287 HydrophobicContact CB-CD1 4.04Å; C284-L287 HydrophobicContact CB-CG 4.21Å; P285-L287 HydrophobicContact CG-CD1 4.41Å; P285-L287 HydrophobicContact CG-CD2 4.03Å; P285-L287 HydrophobicContact CG-CG 4.1Å; L287-A289 PolarHBondContact O-N 3.4Å; L287-S290 WeakPolarHBondContact O-CB 3.23Å; L287-S290 PolarHBondContact O-N 3.29Å
288G90.7Very high94.6Very high6 Ų651.3 Ų51.36%0.06228%0.282CS..THydrogen-bonded Turntrans-54.4-27.9-172.700000115.3S108 A109 D263S108-G288 CarbonylContact C-O 3.49Å; A109-G288 VanDerWaalsContact CA-O 3.32Å; A109-G288 WeakPolarHBondContact CA-O 3.39Å; A109-G288 PolarHBondContact N-O 3.01Å; D263-G288 PolarHBondContact OD2-N 3.21Å
289A88.2Confident94.4Very high15 Ų1549.9 Ų49.912%0.12428%0.275CS..THydrogen-bonded Turntrans-110.25.4174.300000113.9N105 L287 T291 Q295N105-A289 HydrophobicContact CB-CB 3.69Å; L287-A289 PolarHBondContact O-N 3.4Å; A289-T291 PolarHBondContact O-N 3.32Å; A289-Q295 PolarHBondContact O-NE2 2.65Å
290S90.6Very high94.4Very high66 Ų6647.8 Ų47.846%0.46226%0.257SS..  trans-86.656.8-171.6-63.50000111.9L287L287-S290 WeakPolarHBondContact O-CB 3.23Å; L287-S290 PolarHBondContact O-N 3.29Å
291T93.4Very high94.3Very high37 Ų3746.5 Ų46.523%0.22725%0.251CS..SBendtrans-125.4150.9174.465.20000109.8S108 A289 E293 A294 Q295S108-T291 WeakPolarHBondContact CB-OG1 3.4Å; S108-T291 PolarHBondContact OG-OG1 2.83Å; A289-T291 PolarHBondContact O-N 3.32Å; T291-E293 PolarHBondContact O-N 3.49Å; T291-A294 PolarHBondContact O-N 2.94Å; T291-A294 WeakPolarHBondContact OG1-CB 3.41Å; T291-A294 PolarHBondContact OG1-N 3.36Å; T291-Q295 VanDerWaalsContact O-CG 3.26Å; T291-Q295 WeakPolarHBondContact O-CG 3.32Å; T291-Q295 PolarHBondContact O-N 2.89Å
292K93.9Very high94.2Very high176 Ų17646 Ų4677%0.76525%0.248SC*.Hα-helixtrans-57.9-39.1179-67.8-178.5-179.8179.10110.9Q295 A296K292-Q295 PolarHBondContact O-N 3.38Å; K292-A296 WeakPolarHBondContact O-CB 3.49Å; K292-A296 PolarHBondContact O-N 2.9Å
293E95.6Very high94Very high111 Ų11145.3 Ų45.352%0.51924%0.244SC..Hα-helixtrans-69.7-41.5-177.1-59.274.2-165.100111.9T291 R297T291-E293 PolarHBondContact O-N 3.49Å; E293-R297 WeakPolarHBondContact O-CB 3.2Å; E293-R297 WeakPolarHBondContact O-CG 3.46Å; E293-R297 PolarHBondContact O-N 3.46Å
294A93.7Very high93.9Very high0 Ų046.7 Ų46.70%025%0.248CC..Hα-helixtrans-70.5-37.617500000111.5N105 T291 C298N105-A294 HydrophobicContact CB-CB 4.47Å; T291-A294 PolarHBondContact O-N 2.94Å; T291-A294 WeakPolarHBondContact OG1-CB 3.41Å; T291-A294 PolarHBondContact OG1-N 3.36Å; A294-C298 VanDerWaalsContact O-CB 3.29Å; A294-C298 WeakPolarHBondContact O-CB 2.89Å; A294-C298 PolarHBondContact O-N 2.91Å; A294-C298 PolarHBondContact O-SG 3.14Å
295Q91.7Very high93.8Very high31 Ų3146.2 Ų46.215%0.14524%0.243CC..Hα-helixtrans-59.3-49174-68.8-45.3-52.600111.9R57 A289 T291 K292 C298 G299R57-Q295 VanDerWaalsContact NH1-CD 3.3Å; A289-Q295 PolarHBondContact O-NE2 2.65Å; T291-Q295 VanDerWaalsContact O-CG 3.26Å; T291-Q295 WeakPolarHBondContact O-CG 3.32Å; T291-Q295 PolarHBondContact O-N 2.89Å; K292-Q295 PolarHBondContact O-N 3.38Å; Q295-C298 PolarHBondContact O-N 2.97Å; Q295-G299 PolarHBondContact O-N 2.95Å
296A93.7Very high93.7Very high30 Ų3041.1 Ų41.125%0.24821%0.21CC..Hα-helixtrans-59.5-50.6178.400000111.7D19 K292 G299 E300D19-A296 WeakPolarHBondContact OD2-CA 3.31Å; K292-A296 WeakPolarHBondContact O-CB 3.49Å; K292-A296 PolarHBondContact O-N 2.9Å; A296-G299 PolarHBondContact O-N 2.7Å; A296-E300 WeakPolarHBondContact O-CB 3.35Å; A296-E300 PolarHBondContact O-N 3.33Å
297R95.3Very high93.7Very high85 Ų8538.4 Ų38.432%0.32120%0.198SC..Hα-helixtrans-60.7-47.6178.4-74.3-173.7-61.6-94.2-3.8112.6G104 E293 G299 E300 D301G104-R297 PolarHBondContact O-NE 2.87Å; G104-R297 PolarHBondContact O-NH2 3.06Å; E293-R297 WeakPolarHBondContact O-CB 3.2Å; E293-R297 WeakPolarHBondContact O-CG 3.46Å; E293-R297 PolarHBondContact O-N 3.46Å; R297-G299 PolarHBondContact O-N 2.75Å; R297-E300 PolarHBondContact O-N 2.92Å; R297-D301 WeakPolarHBondContact O-CB 3.39Å; R297-D301 PolarHBondContact O-N 2.87Å
298C94.6Very high93.6Very high2 Ų237.2 Ų37.21%0.01419%0.192CC..Hα-helixtrans-64.8-38.9180-67.70000112.1A79 T101 A294 Q295 I302A79-C298 HydrophobicContact CB-CB 4.18Å; T101-C298 WeakPolarHBondContact CG2-O 3.37Å; T101-C298 PolarHBondContact OG1-SG 3.28Å; T101-C298 VanDerWaalsContact OG1-SG 3.36Å; A294-C298 VanDerWaalsContact O-CB 3.29Å; A294-C298 WeakPolarHBondContact O-CB 2.89Å; A294-C298 PolarHBondContact O-N 2.91Å; A294-C298 PolarHBondContact O-SG 3.14Å; Q295-C298 PolarHBondContact O-N 2.97Å; C298-I302 WeakPolarHBondContact O-CG2 3.42Å; C298-I302 PolarHBondContact O-N 3.45Å; C298-I302 VanDerWaalsContact O-N 3.14Å
299G94.8Very high93.4Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-65.8-43.517600000112.4C22 Q295 A296 R297 I302 A303C22-G299 WeakPolarHBondContact CB-O 3.39Å; Q295-G299 PolarHBondContact O-N 2.95Å; A296-G299 PolarHBondContact O-N 2.7Å; R297-G299 PolarHBondContact O-N 2.75Å; G299-I302 WeakPolarHBondContact O-CG2 3.24Å; G299-A303 WeakPolarHBondContact O-CB 3.43Å; G299-A303 PolarHBondContact O-N 3.15Å
300E95.6Very high93.4Very high48 Ų4837.5 Ų37.522%0.22419%0.191CC..Hα-helixtrans-65.7-49.6175.8175.7163.8-157.100112.1R21 I25 A296 R297 I302 A303 L304R21-E300 IonicContact CZ-OE1 3.46Å; R21-E300 IonicContact CZ-OE2 2.78Å; R21-E300 VanDerWaalsContact NE-CD 3.34Å; R21-E300 IonicContact NE-OE1 3.28Å; R21-E300 PolarHBondContact NE-OE1 3.42Å; R21-E300 IonicContact NE-OE2 2.64Å; R21-E300 PolarHBondContact NE-OE2 3.32Å; R21-E300 IonicContact NH1-OE2 3.91Å; R21-E300 PolarHBondContact NH1-OE2 3.49Å; R21-E300 VanDerWaalsContact NH2-CD 3.35Å; R21-E300 IonicContact NH2-OE1 2.87Å; R21-E300 PolarHBondContact NH2-OE1 2.83Å; R21-E300 IonicContact NH2-OE2 2.67Å; R21-E300 PolarHBondContact NH2-OE2 2.89Å; I25-E300 HydrophobicContact CD1-CB 4.31Å; I25-E300 HydrophobicContact CD1-CG 3.86Å; A296-E300 WeakPolarHBondContact O-CB 3.35Å; A296-E300 PolarHBondContact O-N 3.33Å; R297-E300 PolarHBondContact O-N 2.92Å; E300-I302 PolarHBondContact O-N 2.85Å; E300-A303 PolarHBondContact O-N 3Å; E300-L304 HydrophobicContact CG-CD1 3.69Å; E300-L304 HydrophobicContact CG-CG 4.25Å; E300-L304 WeakPolarHBondContact O-CB 3.29Å; E300-L304 WeakPolarHBondContact O-CG 3.39Å; E300-L304 PolarHBondContact O-N 3.08Å
301D95.4Very high93.1Very high42 Ų4236 Ų3623%0.22518%0.177CC..Hα-helixtrans-56-49.2-179-78.2-8.3000110.8T101 R297 A303 L304 Q305T101-D301 HydrophobicContact CG2-CB 3.58Å; R297-D301 WeakPolarHBondContact O-CB 3.39Å; R297-D301 PolarHBondContact O-N 2.87Å; D301-A303 VanDerWaalsContact C-N 3.35Å; D301-A303 PolarHBondContact O-N 3.32Å; D301-L304 PolarHBondContact O-N 2.9Å; D301-Q305 WeakPolarHBondContact O-CB 3.43Å; D301-Q305 WeakPolarHBondContact O-CG 3.26Å; D301-Q305 PolarHBondContact O-N 3.03Å
302I96.3Very high92.4Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-67.5-37-176.6-16157000112V55 A79 M99 T101 C298 G299 E300 Q305 I306V55-I302 HydrophobicContact CG1-CG2 4.19Å; A79-I302 HydrophobicContact CB-CG2 4.11Å; M99-I302 HydrophobicContact CB-CD1 3.98Å; T101-I302 HydrophobicContact CG2-CB 3.75Å; T101-I302 HydrophobicContact CG2-CD1 4.26Å; C298-I302 WeakPolarHBondContact O-CG2 3.42Å; C298-I302 PolarHBondContact O-N 3.45Å; C298-I302 VanDerWaalsContact O-N 3.14Å; G299-I302 WeakPolarHBondContact O-CG2 3.24Å; E300-I302 PolarHBondContact O-N 2.85Å; I302-Q305 VanDerWaalsContact CD1-OE1 3.3Å; I302-I306 HydrophobicContact CG1-CD1 4.34Å; I302-I306 VanDerWaalsContact O-CG1 3.23Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 3.39Å; I302-I306 VanDerWaalsContact O-N 3.07Å
303A96.2Very high91.7Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-66.7-48.3177.600000111.2C22 I25 L26 G299 E300 D301 Q305 I306 V307C22-A303 HydrophobicContact CB-CB 4.42Å; C22-A303 WeakPolarHBondContact O-CB 3.5Å; I25-A303 HydrophobicContact CB-CB 3.84Å; I25-A303 HydrophobicContact CD1-CB 4.35Å; I25-A303 HydrophobicContact CG2-CB 3.73Å; L26-A303 HydrophobicContact CD2-CB 4.36Å; L26-A303 HydrophobicContact CG-CB 4.07Å; G299-A303 WeakPolarHBondContact O-CB 3.43Å; G299-A303 PolarHBondContact O-N 3.15Å; E300-A303 PolarHBondContact O-N 3Å; D301-A303 VanDerWaalsContact C-N 3.35Å; D301-A303 PolarHBondContact O-N 3.32Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 3.19Å; A303-I306 PolarHBondContact O-N 3.5Å; A303-V307 WeakPolarHBondContact O-CB 3.34Å; A303-V307 VanDerWaalsContact O-CG2 3.3Å; A303-V307 WeakPolarHBondContact O-CG2 3.42Å; A303-V307 PolarHBondContact O-N 3.05Å
304L95.1Very high90.7Very high67 Ų6731.5 Ų31.535%0.35116%0.163SC..Hα-helixtrans-60.9-41.1177-71.6175.5000111.7I25 E300 D301 V307 D308I25-L304 HydrophobicContact CD1-CD2 4.32Å; I25-L304 HydrophobicContact CD1-CG 4.2Å; I25-L304 HydrophobicContact CG2-CD2 3.92Å; I25-L304 HydrophobicContact CG2-CG 4.37Å; E300-L304 HydrophobicContact CG-CD1 3.69Å; E300-L304 HydrophobicContact CG-CG 4.25Å; E300-L304 WeakPolarHBondContact O-CB 3.29Å; E300-L304 WeakPolarHBondContact O-CG 3.39Å; E300-L304 PolarHBondContact O-N 3.08Å; D301-L304 PolarHBondContact O-N 2.9Å; L304-V307 CarbonylContact O-C 3.57Å; L304-V307 PolarHBondContact O-N 3.42Å; L304-D308 VanDerWaalsContact O-CB 3.32Å; L304-D308 WeakPolarHBondContact O-CB 3.41Å; L304-D308 PolarHBondContact O-N 2.71Å
305Q93.6Very high90.2Very high15 Ų1532.1 Ų32.17%0.0717%0.166CC..Hα-helixtrans-60.1-46.7176.3-81.1172.29.500112.9M99 N100 D301 I302 A303 V307 D308 M309 V316M99-Q305 HydrophobicContact CE-CB 3.55Å; M99-Q305 HydrophobicContact CE-CG 3.97Å; N100-Q305 PolarHBondContact O-NE2 3.18Å; N100-Q305 VanDerWaalsContact O-NE2 3.16Å; N100-Q305 PolarHBondContact O-OE1 3.23Å; D301-Q305 WeakPolarHBondContact O-CB 3.43Å; D301-Q305 WeakPolarHBondContact O-CG 3.26Å; D301-Q305 PolarHBondContact O-N 3.03Å; I302-Q305 VanDerWaalsContact CD1-OE1 3.3Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 3.19Å; Q305-V307 VanDerWaalsContact C-N 3.35Å; Q305-D308 PolarHBondContact O-N 3.04Å; Q305-M309 WeakPolarHBondContact O-CB 3.4Å; Q305-M309 PolarHBondContact O-N 3.1Å; Q305-V316 HydrophobicContact CG-CB 4.36Å; Q305-V316 WeakPolarHBondContact CG-O 3.4Å; Q305-V316 PolarHBondContact NE2-O 3.1Å; Q305-V316 PolarHBondContact OE1-O 3.03Å
306I93.7Very high89.9Confident1 Ų134 Ų341%0.00518%0.179CC..Hα-helixtrans-61.9-45.9175.3-65.4166.7000109.6I9 L26 I31 V55 I75 I302 A303 D308 M309 V310I9-I306 HydrophobicContact CG2-CG2 4.42Å; L26-I306 HydrophobicContact CD2-CB 4.2Å; L26-I306 HydrophobicContact CD2-CD1 4.44Å; L26-I306 HydrophobicContact CD2-CG2 4.01Å; I31-I306 HydrophobicContact CD1-CG2 4.07Å; V55-I306 HydrophobicContact CG2-CD1 3.92Å; I75-I306 HydrophobicContact CD1-CG1 3.81Å; I302-I306 HydrophobicContact CG1-CD1 4.34Å; I302-I306 VanDerWaalsContact O-CG1 3.23Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 3.39Å; I302-I306 VanDerWaalsContact O-N 3.07Å; A303-I306 PolarHBondContact O-N 3.5Å; I306-D308 PolarHBondContact O-N 3.46Å; I306-M309 PolarHBondContact O-N 2.76Å; I306-V310 WeakPolarHBondContact O-CG2 3.32Å; I306-V310 PolarHBondContact O-N 3.38Å
307V93.4Very high89.6Confident5 Ų533.2 Ų33.23%0.0317%0.174CC..Hα-helixtrans-61.5-42.4178.4167.30000112I25 L26 N29 I31 A303 L304 Q305 V310 N311I25-V307 HydrophobicContact CG2-CG2 4.13Å; L26-V307 HydrophobicContact CD2-CG2 4.28Å; N29-V307 HydrophobicContact CB-CG1 3.99Å; N29-V307 HydrophobicContact CB-CG2 3.7Å; N29-V307 VanDerWaalsContact CG-CG1 3.47Å; N29-V307 WeakPolarHBondContact OD1-CG1 3.3Å; I31-V307 HydrophobicContact CD1-CG2 4.34Å; A303-V307 WeakPolarHBondContact O-CB 3.34Å; A303-V307 VanDerWaalsContact O-CG2 3.3Å; A303-V307 WeakPolarHBondContact O-CG2 3.42Å; A303-V307 PolarHBondContact O-N 3.05Å; L304-V307 CarbonylContact O-C 3.57Å; L304-V307 PolarHBondContact O-N 3.42Å; Q305-V307 VanDerWaalsContact C-N 3.35Å; V307-V310 PolarHBondContact O-N 3.07Å; V307-N311 VanDerWaalsContact CG1-ND2 3.29Å; V307-N311 WeakPolarHBondContact CG1-ND2 3.47Å; V307-N311 WeakPolarHBondContact O-CB 3.48Å; V307-N311 PolarHBondContact O-N 3.38Å; V307-N311 PolarHBondContact O-ND2 3.12Å
308D90.3Very high89.4Confident44 Ų4430 Ų3024%0.23517%0.165CC..Hα-helixtrans-68.8-36.3179.5-80.6-18000111.8L304 Q305 I306 N311 G312 K313L304-D308 VanDerWaalsContact O-CB 3.32Å; L304-D308 WeakPolarHBondContact O-CB 3.41Å; L304-D308 PolarHBondContact O-N 2.71Å; Q305-D308 PolarHBondContact O-N 3.04Å; I306-D308 PolarHBondContact O-N 3.46Å; D308-N311 CarbonylContact O-C 3.56Å; D308-N311 PolarHBondContact O-N 3.13Å; D308-G312 PolarHBondContact O-N 3.16Å; D308-K313 HydrophobicContact CB-CB 4.26Å; D308-K313 PolarHBondContact O-N 3.29Å; D308-K313 WeakPolarHBondContact OD1-CD 3.3Å; D308-K313 WeakPolarHBondContact OD1-CE 3.34Å; D308-K313 IonicContact OD1-NZ 2.9Å; D308-K313 PolarHBondContact OD1-NZ 3.32Å
309M87.3Confident89.3Confident1 Ų131.8 Ų31.81%0.00518%0.177CC..Hα-helixtrans-62.5-48.2171.6-178.2-171.870.300111.3I7 I9 I75 I97 Q305 I306 N311 G312 L315I7-M309 HydrophobicContact CD1-SD 4.31Å; I7-M309 HydrophobicContact CG2-CE 4.5Å; I9-M309 HydrophobicContact CD1-CE 4.4Å; I9-M309 HydrophobicContact CG1-CE 3.96Å; I75-M309 HydrophobicContact CB-CE 4.37Å; I75-M309 HydrophobicContact CD1-CE 3.49Å; I75-M309 VanDerWaalsContact CD1-CE 3.49Å; I75-M309 HydrophobicContact CD1-SD 3.92Å; I97-M309 HydrophobicContact CD1-SD 3.67Å; Q305-M309 WeakPolarHBondContact O-CB 3.4Å; Q305-M309 PolarHBondContact O-N 3.1Å; I306-M309 PolarHBondContact O-N 2.76Å; M309-N311 PolarHBondContact O-N 3.43Å; M309-G312 PolarHBondContact O-N 2.69Å; M309-L315 HydrophobicContact CB-CD1 4.27Å; M309-L315 HydrophobicContact CG-CD1 4.14Å; M309-L315 HydrophobicContact SD-CD1 4.13Å
310V86.4Confident89.2Confident27 Ų2732.7 Ų32.716%0.16418%0.181CC..Hα-helixtrans-61.9-35.4176.5172.50000111A5 I9 I31 I306 V307 G312A5-V310 WeakPolarHBondContact CA-O 3.44Å; A5-V310 HydrophobicContact CB-CG1 4.45Å; A5-V310 WeakPolarHBondContact CB-O 3.35Å; I9-V310 HydrophobicContact CB-CG2 3.74Å; I9-V310 HydrophobicContact CG1-CG2 3.74Å; I31-V310 HydrophobicContact CD1-CG2 4.46Å; I306-V310 WeakPolarHBondContact O-CG2 3.32Å; I306-V310 PolarHBondContact O-N 3.38Å; V307-V310 PolarHBondContact O-N 3.07Å; V310-G312 VanDerWaalsContact C-N 3.27Å; V310-G312 PolarHBondContact O-N 2.95Å
311N85Confident88.6Confident33 Ų3330.4 Ų30.418%0.17617%0.171CC..THydrogen-bonded Turntrans-82.5-1.6177-75.1-62000114.1K3 V307 D308 M309 K313K3-N311 WeakPolarHBondContact CD-OD1 3.49Å; K3-N311 PolarHBondContact NZ-OD1 3.08Å; V307-N311 VanDerWaalsContact CG1-ND2 3.29Å; V307-N311 WeakPolarHBondContact CG1-ND2 3.47Å; V307-N311 WeakPolarHBondContact O-CB 3.48Å; V307-N311 PolarHBondContact O-N 3.38Å; V307-N311 PolarHBondContact O-ND2 3.12Å; D308-N311 CarbonylContact O-C 3.56Å; D308-N311 PolarHBondContact O-N 3.13Å; M309-N311 PolarHBondContact O-N 3.43Å; N311-K313 HydrophobicContact CB-CG 4.19Å
312G78.3Confident87.9Confident20 Ų2034 Ų3421%0.20619%0.186CC..THydrogen-bonded Turntrans63.639.4-179.400000114.1D308 M309 V310 F328D308-G312 PolarHBondContact O-N 3.16Å; M309-G312 PolarHBondContact O-N 2.69Å; V310-G312 VanDerWaalsContact C-N 3.27Å; V310-G312 PolarHBondContact O-N 2.95Å; G312-F328 VanDerWaalsContact CA-CD1 3.42Å; G312-F328 WeakPolarHBondContact O-CB 3.42Å
313K79.2Confident87.1Confident132 Ų13235.7 Ų35.757%0.57420%0.196SC*.SBendtrans-95.6-62.8-179.6-62.3-171.1-153.6145.30112.8D308 N311D308-K313 HydrophobicContact CB-CB 4.26Å; D308-K313 PolarHBondContact O-N 3.29Å; D308-K313 WeakPolarHBondContact OD1-CD 3.3Å; D308-K313 WeakPolarHBondContact OD1-CE 3.34Å; D308-K313 IonicContact OD1-NZ 2.9Å; D308-K313 PolarHBondContact OD1-NZ 3.32Å; N311-K313 HydrophobicContact CB-CG 4.19Å
314N74.4Confident86.5Confident79 Ų7936.3 Ų36.342%0.42220%0.2SC..  trans-157.8157-173.7-165.910.1000110.1
315L83.1Confident85.7Confident13 Ų1335.5 Ų35.57%0.06820%0.203CC..  trans-122.2100.1175.7-168.971.3000109.7M99 M309 A318 A321 L324 F328M99-L315 HydrophobicContact CE-CD1 3.79Å; M99-L315 HydrophobicContact SD-CD1 3.65Å; M309-L315 HydrophobicContact CB-CD1 4.27Å; M309-L315 HydrophobicContact CG-CD1 4.14Å; M309-L315 HydrophobicContact SD-CD1 4.13Å; L315-A318 HydrophobicContact CD1-CB 4.34Å; L315-A318 HydrophobicContact CD2-CB 3.47Å; L315-A318 VanDerWaalsContact CD2-CB 3.47Å; L315-A318 HydrophobicContact CG-CB 3.61Å; L315-A321 HydrophobicContact CD2-CB 4.25Å; L315-A321 WeakPolarHBondContact CD2-O 3.35Å; L315-L324 HydrophobicContact CD2-CB 3.58Å; L315-L324 HydrophobicContact CD2-CD1 4.43Å; L315-F328 HydrophobicContact CB-CE2 3.63Å; L315-F328 HydrophobicContact CB-CZ 3.93Å
316V85.8Confident84.9Confident69 Ų6936.7 Ų36.742%0.41822%0.218SC..  trans-105.3134.2177.2179.20000108.8M99 Q305M99-V316 WeakPolarHBondContact CE-O 3.48Å; Q305-V316 HydrophobicContact CG-CB 4.36Å; Q305-V316 WeakPolarHBondContact CG-O 3.4Å; Q305-V316 PolarHBondContact NE2-O 3.1Å; Q305-V316 PolarHBondContact OE1-O 3.03Å
317G88.3Confident84.2Confident15 Ų1536.7 Ų36.716%0.15522%0.219CC..SBendtrans81.810.5176.600000114.8M99 N100 V319M99-G317 CarbonylContact C-O 3.56Å; M99-G317 VanDerWaalsContact CA-O 3.26Å; M99-G317 WeakPolarHBondContact CA-O 3.35Å; N100-G317 PolarHBondContact N-O 3.5Å; N100-G317 WeakPolarHBondContact OD1-CA 3.2Å; N100-G317 PolarHBondContact OD1-O 3.49Å; N100-G317 VanDerWaalsContact OD1-O 3.05Å; G317-V319 PolarHBondContact O-N 3.07Å
318A91.7Very high83.6Confident16 Ų1638.3 Ų38.313%0.13223%0.226CC..BIsolated β-bridgetrans-64.3125.7170.600000111.7L315 A321 Q322L315-A318 HydrophobicContact CD1-CB 4.34Å; L315-A318 HydrophobicContact CD2-CB 3.47Å; L315-A318 VanDerWaalsContact CD2-CB 3.47Å; L315-A318 HydrophobicContact CG-CB 3.61Å; A318-A321 HydrophobicContact CB-CB 4.05Å; A318-Q322 PolarHBondContact O-NE2 3.46Å; A318-Q322 VanDerWaalsContact O-NE2 3.14Å
319V91.5Very high83.2Confident41 Ų4139 Ų3925%0.24823%0.233CC..SBendtrans-94.3-35.3-176.7179.20000112V83 V88 V98 N100 G317 Q322V83-V319 HydrophobicContact CG1-CG2 4.08Å; V83-V319 HydrophobicContact CG2-CG1 4.16Å; V88-V319 HydrophobicContact CG1-CG1 4.05Å; V88-V319 HydrophobicContact CG2-CG1 4.18Å; V98-V319 HydrophobicContact CB-CB 4.24Å; V98-V319 HydrophobicContact CG1-CB 4.17Å; V98-V319 HydrophobicContact CG1-CG2 4.27Å; V98-V319 PolarHBondContact O-N 3.46Å; N100-V319 HydrophobicContact CB-CG2 4.19Å; G317-V319 PolarHBondContact O-N 3.07Å; V319-Q322 PolarHBondContact O-NE2 3.33Å
320N91.8Very high83Confident19 Ų1946.3 Ų46.310%0.10227%0.268CS..SBendtrans-124.611.3-178.968.7-20.2000113.8V88 T92 V96 V98V88-N320 HydrophobicContact CG1-CB 3.89Å; T92-N320 VanDerWaalsContact OG1-CB 3.24Å; T92-N320 WeakPolarHBondContact OG1-CB 3.17Å; T92-N320 PolarHBondContact OG1-ND2 3.26Å; V96-N320 PolarHBondContact O-ND2 3.45Å; V98-N320 PolarHBondContact N-OD1 2.84Å
321A84.8Confident82.9Confident0 Ų049.3 Ų49.30%028%0.28CS..  trans-133.528.4-169.200000112.9I97 L315 A318 V323 L324 I397I97-A321 HydrophobicContact CG1-CB 4.14Å; I97-A321 HydrophobicContact CG2-CB 3.95Å; L315-A321 HydrophobicContact CD2-CB 4.25Å; L315-A321 WeakPolarHBondContact CD2-O 3.35Å; A318-A321 HydrophobicContact CB-CB 4.05Å; A321-V323 PolarHBondContact O-N 3.06Å; A321-V323 VanDerWaalsContact O-N 3.14Å; A321-L324 HydrophobicContact CB-CD1 4.16Å; A321-L324 HydrophobicContact CB-CG 4.31Å; A321-L324 VanDerWaalsContact O-CB 3.32Å; A321-L324 WeakPolarHBondContact O-CB 3.4Å; A321-L324 PolarHBondContact O-N 3.21Å; A321-I397 HydrophobicContact CB-CD1 3.36Å
322Q80.6Confident83Confident118 Ų11847.7 Ų47.755%0.55127%0.271SS*.G310 helixtrans-59.9-30.3-174.5-63.1822.700112.6A318 V319 L324 A325A318-Q322 PolarHBondContact O-NE2 3.46Å; A318-Q322 VanDerWaalsContact O-NE2 3.14Å; V319-Q322 PolarHBondContact O-NE2 3.33Å; Q322-L324 PolarHBondContact O-N 3.31Å; Q322-L324 VanDerWaalsContact O-N 3.16Å; Q322-A325 WeakPolarHBondContact O-CB 3.36Å; Q322-A325 PolarHBondContact O-N 2.81Å; Q322-A325 VanDerWaalsContact O-N 3.08Å
323V79.7Confident83.4Confident35 Ų3548.9 Ų48.921%0.21227%0.271CS..G310 helixtrans-57.5-27.9175.669.90000112.6A321 A325 T327 Y376 L396A321-V323 PolarHBondContact O-N 3.06Å; A321-V323 VanDerWaalsContact O-N 3.14Å; V323-A325 VanDerWaalsContact C-N 3.31Å; V323-A325 PolarHBondContact O-N 2.9Å; V323-T327 WeakPolarHBondContact O-CG2 3.42Å; V323-Y376 VanDerWaalsContact CG2-CA 3.46Å; V323-L396 WeakPolarHBondContact CG1-O 3.42Å
324L81.9Confident83.9Confident13 Ų1344 Ų447%0.06825%0.251CS..G310 helixtrans-72.3-20.5179.4-66.6-168.8000113.5I7 I97 L315 A321 Q322 G326 T327 F328 L396 I397I7-L324 HydrophobicContact CD1-CD1 4.3Å; I97-L324 HydrophobicContact CD1-CD1 3.6Å; I97-L324 HydrophobicContact CG1-CD1 4.35Å; L315-L324 HydrophobicContact CD2-CB 3.58Å; L315-L324 HydrophobicContact CD2-CD1 4.43Å; A321-L324 HydrophobicContact CB-CD1 4.16Å; A321-L324 HydrophobicContact CB-CG 4.31Å; A321-L324 VanDerWaalsContact O-CB 3.32Å; A321-L324 WeakPolarHBondContact O-CB 3.4Å; A321-L324 PolarHBondContact O-N 3.21Å; Q322-L324 PolarHBondContact O-N 3.31Å; Q322-L324 VanDerWaalsContact O-N 3.16Å; L324-G326 PolarHBondContact O-N 3.41Å; L324-G326 VanDerWaalsContact O-N 3.13Å; L324-T327 HydrophobicContact CD2-CG2 4.19Å; L324-T327 WeakPolarHBondContact O-CB 3.35Å; L324-T327 PolarHBondContact O-N 3.12Å; L324-T327 PolarHBondContact O-OG1 3.33Å; L324-F328 WeakPolarHBondContact O-CD2 3.22Å; L324-F328 WeakPolarHBondContact O-CE2 3.5Å; L324-L396 HydrophobicContact CD2-CB 3.8Å; L324-L396 HydrophobicContact CD2-CD1 3.72Å; L324-L396 HydrophobicContact CD2-CG 4.42Å; L324-I397 HydrophobicContact CD1-CD1 3.55Å; L324-I397 HydrophobicContact CD2-CD1 4.33Å; L324-I397 HydrophobicContact CG-CD1 3.73Å
325A79Confident84.7Confident50 Ų5040.7 Ų40.741%0.41323%0.233SC..G310 helixtrans-57.6-31.1-179.200000112.8Q322 V323Q322-A325 WeakPolarHBondContact O-CB 3.36Å; Q322-A325 PolarHBondContact O-N 2.81Å; Q322-A325 VanDerWaalsContact O-N 3.08Å; V323-A325 VanDerWaalsContact C-N 3.31Å; V323-A325 PolarHBondContact O-N 2.9Å
326G76.2Confident85.1Confident39 Ų3940.4 Ų40.440%0.40223%0.232SC..G310 helixtrans-89.26177.100000115.3L324 S332 Y376L324-G326 PolarHBondContact O-N 3.41Å; L324-G326 VanDerWaalsContact O-N 3.13Å; G326-S332 WeakPolarHBondContact O-CB 3.29Å; G326-S332 PolarHBondContact O-OG 2.86Å; G326-Y376 WeakPolarHBondContact O-CE1 3.38Å
327T79.9Confident85.5Confident2 Ų241.4 Ų41.41%0.01223%0.228CC..  trans-103.24-167.769.60000114.7V323 L324 S332 Q333 I336 Y376V323-T327 WeakPolarHBondContact O-CG2 3.42Å; L324-T327 HydrophobicContact CD2-CG2 4.19Å; L324-T327 WeakPolarHBondContact O-CB 3.35Å; L324-T327 PolarHBondContact O-N 3.12Å; L324-T327 PolarHBondContact O-OG1 3.33Å; T327-S332 VanDerWaalsContact CA-OG 3.3Å; T327-S332 WeakPolarHBondContact CA-OG 3.16Å; T327-S332 PolarHBondContact O-OG 3.34Å; T327-S332 VanDerWaalsContact O-OG 3.07Å; T327-Q333 PolarHBondContact O-NE2 3.24Å; T327-I336 HydrophobicContact CG2-CD1 3.75Å; T327-Y376 HydrophobicContact CG2-CD1 4.26Å; T327-Y376 HydrophobicContact CG2-CG 4.07Å
328F79.9Confident85.8Confident39 Ų3940.7 Ų40.717%0.17122%0.22CC..  trans-91.21.3-172.4-63.9-68.9000114.6P6 G312 L315 L324P6-F328 HydrophobicContact CG-CD1 3.94Å; P6-F328 HydrophobicContact CG-CE1 3.64Å; G312-F328 VanDerWaalsContact CA-CD1 3.42Å; G312-F328 WeakPolarHBondContact O-CB 3.42Å; L315-F328 HydrophobicContact CB-CE2 3.63Å; L315-F328 HydrophobicContact CB-CZ 3.93Å; L324-F328 WeakPolarHBondContact O-CD2 3.22Å; L324-F328 WeakPolarHBondContact O-CE2 3.5Å
329S82.8Confident86Confident57 Ų5740 Ų4040%0.39921%0.214SC..SBendtrans-96.1153.8177.178.40000112.2E331 S332 Q333S329-E331 VanDerWaalsContact C-N 3.27Å; S329-E331 PolarHBondContact O-N 3.05Å; S329-S332 PolarHBondContact N-OG 3Å; S329-S332 VanDerWaalsContact N-OG 3.1Å; S329-S332 PolarHBondContact O-N 3.25Å; S329-S332 PolarHBondContact O-OG 2.95Å; S329-S332 WeakPolarHBondContact OG-CB 3.4Å; S329-S332 PolarHBondContact OG-N 2.89Å; S329-S332 PolarHBondContact OG-OG 3.07Å; S329-S332 VanDerWaalsContact OG-OG 3.12Å; S329-Q333 WeakPolarHBondContact O-CG 3.33Å; S329-Q333 PolarHBondContact O-N 3.45Å
330Q82.8Confident86.2Confident156 Ų15641.3 Ų41.373%0.72922%0.218SC*.Hα-helixtrans-57.7-40.3175.6-176178.61.300112.4Q333 Q334Q330-Q333 PolarHBondContact O-N 3.23Å; Q330-Q334 WeakPolarHBondContact O-CG 3.39Å; Q330-Q334 PolarHBondContact O-N 2.96Å; Q330-Q334 VanDerWaalsContact O-N 3.1Å
331E84.6Confident86.4Confident89 Ų8940.6 Ų40.642%0.41621%0.214SC..Hα-helixtrans-61.3-48.1176.2-175.8-175.417800111.3S329 Q333 Q334 L335 S369S329-E331 VanDerWaalsContact C-N 3.27Å; S329-E331 PolarHBondContact O-N 3.05Å; E331-Q333 VanDerWaalsContact C-N 3.32Å; E331-Q333 PolarHBondContact O-N 2.87Å; E331-Q334 PolarHBondContact O-N 2.76Å; E331-L335 HydrophobicContact CG-CD1 4.47Å; E331-L335 PolarHBondContact O-N 2.89Å; E331-S369 VanDerWaalsContact OE1-CB 3.22Å; E331-S369 WeakPolarHBondContact OE1-CB 3.28Å; E331-S369 PolarHBondContact OE1-OG 3.31Å
332S86.3Confident87Confident0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-61.9-39.3178.667.90000112.4G326 T327 S329 Q334 L335 I336G326-S332 WeakPolarHBondContact O-CB 3.29Å; G326-S332 PolarHBondContact O-OG 2.86Å; T327-S332 VanDerWaalsContact CA-OG 3.3Å; T327-S332 WeakPolarHBondContact CA-OG 3.16Å; T327-S332 PolarHBondContact O-OG 3.34Å; T327-S332 VanDerWaalsContact O-OG 3.07Å; S329-S332 PolarHBondContact N-OG 3Å; S329-S332 VanDerWaalsContact N-OG 3.1Å; S329-S332 PolarHBondContact O-N 3.25Å; S329-S332 PolarHBondContact O-OG 2.95Å; S329-S332 WeakPolarHBondContact OG-CB 3.4Å; S329-S332 PolarHBondContact OG-N 2.89Å; S329-S332 PolarHBondContact OG-OG 3.07Å; S329-S332 VanDerWaalsContact OG-OG 3.12Å; S332-Q334 VanDerWaalsContact C-N 3.34Å; S332-Q334 PolarHBondContact O-N 3.22Å; S332-L335 PolarHBondContact O-N 3.22Å; S332-I336 VanDerWaalsContact O-CG1 3.27Å; S332-I336 WeakPolarHBondContact O-CG1 3.47Å; S332-I336 PolarHBondContact O-N 3.36Å
333Q87.3Confident87.7Confident44 Ų4435 Ų3521%0.20619%0.189CC..Hα-helixtrans-65.1-36.8176.5-72.2-67-36.900112.5T327 S329 Q330 E331 R337T327-Q333 PolarHBondContact O-NE2 3.24Å; S329-Q333 WeakPolarHBondContact O-CG 3.33Å; S329-Q333 PolarHBondContact O-N 3.45Å; Q330-Q333 PolarHBondContact O-N 3.23Å; E331-Q333 VanDerWaalsContact C-N 3.32Å; E331-Q333 PolarHBondContact O-N 2.87Å; Q333-R337 WeakPolarHBondContact O-CG 3.24Å; Q333-R337 PolarHBondContact O-N 3.1Å; Q333-R337 VanDerWaalsContact O-N 3.1Å; Q333-R337 PolarHBondContact O-NH1 3.3Å
334Q89.9Confident88.4Confident30 Ų3033.9 Ų33.914%0.1418%0.182CC..Hα-helixtrans-67.4-40.7174.4-71165.8-12.100111.5Q330 E331 S332 R337 L338 V446 G449Q330-Q334 WeakPolarHBondContact O-CG 3.39Å; Q330-Q334 PolarHBondContact O-N 2.96Å; Q330-Q334 VanDerWaalsContact O-N 3.1Å; E331-Q334 PolarHBondContact O-N 2.76Å; S332-Q334 VanDerWaalsContact C-N 3.34Å; S332-Q334 PolarHBondContact O-N 3.22Å; Q334-R337 VanDerWaalsContact CG-NH2 3.33Å; Q334-R337 PolarHBondContact O-N 2.96Å; Q334-L338 WeakPolarHBondContact O-CB 3.29Å; Q334-L338 PolarHBondContact O-N 2.71Å; Q334-V446 HydrophobicContact CB-CB 4.49Å; Q334-V446 HydrophobicContact CB-CG1 3.81Å; Q334-V446 HydrophobicContact CB-CG2 3.92Å; Q334-V446 HydrophobicContact CG-CG1 4.19Å; Q334-G449 VanDerWaalsContact NE2-CA 3.28Å
335L90.9Very high89.1Confident9 Ų933.2 Ų33.25%0.04718%0.179CC..Hα-helixtrans-68.4-35.5175.9-72.1172.7000112.8E331 S332 L338 G339 M370 C373 Y376 F377 V446E331-L335 HydrophobicContact CG-CD1 4.47Å; E331-L335 PolarHBondContact O-N 2.89Å; S332-L335 PolarHBondContact O-N 3.22Å; L335-L338 HydrophobicContact CD2-CD2 4.28Å; L335-L338 WeakPolarHBondContact O-CB 3.28Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-G339 PolarHBondContact O-N 3.44Å; L335-M370 HydrophobicContact CD1-SD 4.36Å; L335-C373 HydrophobicContact CD1-CB 3.88Å; L335-Y376 HydrophobicContact CB-CE2 4.06Å; L335-Y376 HydrophobicContact CD1-CE2 4.32Å; L335-F377 HydrophobicContact CB-CD2 4.45Å; L335-F377 WeakPolarHBondContact O-CD2 3.46Å; L335-V446 HydrophobicContact CD2-CG2 4.15Å
336I91.9Very high89.9Confident8 Ų830.9 Ų30.94%0.04116%0.159CC..Hα-helixtrans-62-50.5172.8-71.7161.4000109.9T327 S332 L338 G339 E340 Y376 A380 L396T327-I336 HydrophobicContact CG2-CD1 3.75Å; S332-I336 VanDerWaalsContact O-CG1 3.27Å; S332-I336 WeakPolarHBondContact O-CG1 3.47Å; S332-I336 PolarHBondContact O-N 3.36Å; I336-L338 VanDerWaalsContact C-N 3.27Å; I336-L338 PolarHBondContact O-N 3.12Å; I336-G339 PolarHBondContact O-N 3.23Å; I336-E340 HydrophobicContact CG2-CG 4.48Å; I336-E340 PolarHBondContact O-N 2.99Å; I336-Y376 HydrophobicContact CD1-CD2 4.4Å; I336-Y376 HydrophobicContact CG1-CD2 3.89Å; I336-A380 HydrophobicContact CB-CB 4.36Å; I336-A380 HydrophobicContact CG2-CB 4.09Å; I336-A380 WeakPolarHBondContact O-CB 3.33Å; I336-L396 HydrophobicContact CD1-CD1 4.07Å; I336-L396 HydrophobicContact CG1-CD1 4.48Å; I336-L396 HydrophobicContact CG2-CD1 4.4Å
337R93.8Very high90.7Very high90 Ų9031.4 Ų31.434%0.3415%0.151SC..Hα-helixtrans-58.4-39.8176.1-72.3-167.1-61.5-85.94.9112.3Q333 Q334 A341 P451Q333-R337 WeakPolarHBondContact O-CG 3.24Å; Q333-R337 PolarHBondContact O-N 3.1Å; Q333-R337 VanDerWaalsContact O-N 3.1Å; Q333-R337 PolarHBondContact O-NH1 3.3Å; Q334-R337 VanDerWaalsContact CG-NH2 3.33Å; Q334-R337 PolarHBondContact O-N 2.96Å; R337-A341 WeakPolarHBondContact O-CB 3.46Å; R337-A341 PolarHBondContact O-N 3.06Å; R337-P451 HydrophobicContact CB-CG 3.88Å
338L95.3Very high91.3Very high0 Ų032.7 Ų32.70%016%0.161CC..Hα-helixtrans-60.9-46.7173.4177.665.8000111.8Q334 L335 I336 A341 V342 F377 C429 V446 P451 L467Q334-L338 WeakPolarHBondContact O-CB 3.29Å; Q334-L338 PolarHBondContact O-N 2.71Å; L335-L338 HydrophobicContact CD2-CD2 4.28Å; L335-L338 WeakPolarHBondContact O-CB 3.28Å; L335-L338 PolarHBondContact O-N 2.93Å; I336-L338 VanDerWaalsContact C-N 3.27Å; I336-L338 PolarHBondContact O-N 3.12Å; L338-A341 PolarHBondContact O-N 2.9Å; L338-V342 HydrophobicContact CD1-CG2 3.93Å; L338-V342 HydrophobicContact CG-CG2 4.36Å; L338-V342 WeakPolarHBondContact O-CB 3.48Å; L338-V342 VanDerWaalsContact O-CG2 3.24Å; L338-V342 WeakPolarHBondContact O-CG2 3.48Å; L338-V342 PolarHBondContact O-N 3.1Å; L338-F377 HydrophobicContact CB-CE2 4.4Å; L338-F377 HydrophobicContact CD2-CE2 4.18Å; L338-F377 HydrophobicContact CG-CE2 4.14Å; L338-C429 HydrophobicContact CD2-CB 4.34Å; L338-V446 HydrophobicContact CB-CG2 4.34Å; L338-V446 HydrophobicContact CD2-CG2 4.17Å; L338-P451 HydrophobicContact CB-CB 4.01Å; L338-P451 HydrophobicContact CD1-CB 3.92Å; L338-L467 HydrophobicContact CD1-CD1 4.14Å
339G95.5Very high91.9Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-60-51.7178.800000111.9L335 I336 A341 V342 G343 F377 V381L335-G339 PolarHBondContact O-N 3.44Å; I336-G339 PolarHBondContact O-N 3.23Å; G339-A341 PolarHBondContact O-N 3.36Å; G339-V342 PolarHBondContact O-N 2.91Å; G339-G343 PolarHBondContact O-N 3.05Å; G339-F377 VanDerWaalsContact CA-CE2 3.48Å; G339-V381 VanDerWaalsContact O-CA 3.31Å; G339-V381 WeakPolarHBondContact O-CA 3.46Å
340E95.6Very high92.2Very high70 Ų7029 Ų2933%0.32714%0.138SC..Hα-helixtrans-57.1-48177.5-72174169.700111.6I336 G343 A344 A380 V383 G384I336-E340 HydrophobicContact CG2-CG 4.48Å; I336-E340 PolarHBondContact O-N 2.99Å; E340-G343 PolarHBondContact O-N 2.89Å; E340-A344 WeakPolarHBondContact O-CB 3.32Å; E340-A344 PolarHBondContact O-N 3.34Å; E340-A380 WeakPolarHBondContact CA-O 3.35Å; E340-A380 HydrophobicContact CG-CB 4.11Å; E340-A380 WeakPolarHBondContact CG-O 3.14Å; E340-A380 PolarHBondContact N-O 3.31Å; E340-V383 HydrophobicContact CG-CB 4.31Å; E340-V383 HydrophobicContact CG-CG1 4.09Å; E340-G384 VanDerWaalsContact O-CA 3.29Å; E340-G384 WeakPolarHBondContact O-CA 3.47Å
341A96Very high92.1Very high3 Ų323.5 Ų23.53%0.02512%0.12CC..Hα-helixtrans-62.4-45.9178.400000112.7R337 L338 G339 G343 A344 V345 L467 I538R337-A341 WeakPolarHBondContact O-CB 3.46Å; R337-A341 PolarHBondContact O-N 3.06Å; L338-A341 PolarHBondContact O-N 2.9Å; G339-A341 PolarHBondContact O-N 3.36Å; A341-G343 VanDerWaalsContact C-N 3.34Å; A341-G343 PolarHBondContact O-N 2.95Å; A341-A344 PolarHBondContact O-N 3.02Å; A341-V345 VanDerWaalsContact O-CG2 3.28Å; A341-V345 WeakPolarHBondContact O-CG2 3.4Å; A341-V345 PolarHBondContact O-N 3.19Å; A341-L467 HydrophobicContact CB-CB 3.91Å; A341-L467 HydrophobicContact CB-CD1 3.77Å; A341-L467 HydrophobicContact CB-CG 4.35Å; A341-I538 HydrophobicContact CB-CD1 4.04Å; A341-I538 HydrophobicContact CB-CG2 3.98Å
342V96.6Very high91.9Very high2 Ų220.3 Ų20.31%0.01211%0.108CC..Hα-helixtrans-63.1-42177.3166.90000111.1L338 G339 V345 L346 V431 A442 L467L338-V342 HydrophobicContact CD1-CG2 3.93Å; L338-V342 HydrophobicContact CG-CG2 4.36Å; L338-V342 WeakPolarHBondContact O-CB 3.48Å; L338-V342 VanDerWaalsContact O-CG2 3.24Å; L338-V342 WeakPolarHBondContact O-CG2 3.48Å; L338-V342 PolarHBondContact O-N 3.1Å; G339-V342 PolarHBondContact O-N 2.91Å; V342-V345 PolarHBondContact O-N 3.1Å; V342-L346 HydrophobicContact CG1-CD1 4.09Å; V342-L346 WeakPolarHBondContact O-CG 3.49Å; V342-L346 PolarHBondContact O-N 3.06Å; V342-V431 HydrophobicContact CG1-CB 3.95Å; V342-V431 HydrophobicContact CG1-CG2 3.73Å; V342-A442 HydrophobicContact CG1-CB 3.75Å; V342-L467 HydrophobicContact CG2-CD1 4.14Å
343G96Very high91.7Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-60-44.9174.300000112.3G339 E340 A341 V345 L346 H347 V381 G384 L385G339-G343 PolarHBondContact O-N 3.05Å; E340-G343 PolarHBondContact O-N 2.89Å; A341-G343 VanDerWaalsContact C-N 3.34Å; A341-G343 PolarHBondContact O-N 2.95Å; G343-V345 PolarHBondContact O-N 3.24Å; G343-L346 PolarHBondContact O-N 2.84Å; G343-H347 PolarHBondContact O-N 3.25Å; G343-V381 WeakPolarHBondContact CA-O 3.44Å; G343-G384 VanDerWaalsContact C-C 3.46Å; G343-G384 CarbonylContact C-O 3.57Å; G343-L385 WeakPolarHBondContact O-CD2 3.37Å
344A95.1Very high91.6Very high10 Ų1034.4 Ų34.48%0.08316%0.162CC..Hα-helixtrans-64.4-39.5178.300000112.7E340 A341 H347 S348 G384 H388 L536E340-A344 WeakPolarHBondContact O-CB 3.32Å; E340-A344 PolarHBondContact O-N 3.34Å; A341-A344 PolarHBondContact O-N 3.02Å; A344-H347 PolarHBondContact O-N 3.47Å; A344-S348 WeakPolarHBondContact O-CB 3.48Å; A344-S348 PolarHBondContact O-N 2.77Å; A344-S348 PolarHBondContact O-OG 2.86Å; A344-G384 WeakPolarHBondContact CA-O 3.39Å; A344-G384 PolarHBondContact N-O 2.91Å; A344-H388 WeakPolarHBondContact CA-NE2 3.37Å; A344-H388 WeakPolarHBondContact CB-NE2 3.26Å; A344-L536 HydrophobicContact CB-CD1 3.91Å
345V96.1Very high91.5Very high0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-61.9-48.9173.2170.70000110.6A341 V342 G343 H347 S348 C349 L453 L456 L467 F473 L536A341-V345 VanDerWaalsContact O-CG2 3.28Å; A341-V345 WeakPolarHBondContact O-CG2 3.4Å; A341-V345 PolarHBondContact O-N 3.19Å; V342-V345 PolarHBondContact O-N 3.1Å; G343-V345 PolarHBondContact O-N 3.24Å; V345-H347 VanDerWaalsContact C-N 3.33Å; V345-H347 PolarHBondContact O-N 2.92Å; V345-S348 PolarHBondContact O-N 3.39Å; V345-C349 VanDerWaalsContact O-CB 3.31Å; V345-C349 WeakPolarHBondContact O-CB 3.27Å; V345-C349 PolarHBondContact O-N 3.33Å; V345-C349 PolarHBondContact O-SG 3.11Å; V345-C349 VanDerWaalsContact O-SG 3.4Å; V345-L453 HydrophobicContact CG1-CD2 4.24Å; V345-L456 HydrophobicContact CG1-CD1 3.91Å; V345-L456 HydrophobicContact CG1-CD2 4.24Å; V345-L467 HydrophobicContact CG2-CD2 3.77Å; V345-F473 HydrophobicContact CG1-CE1 4.06Å; V345-F473 HydrophobicContact CG1-CE2 4.44Å; V345-F473 HydrophobicContact CG1-CZ 3.98Å; V345-F473 HydrophobicContact CG2-CE2 4.06Å; V345-F473 HydrophobicContact CG2-CZ 3.78Å; V345-L536 HydrophobicContact CG2-CD1 4.18Å; V345-L536 HydrophobicContact CG2-CD2 4.09Å
346L95.4Very high91.6Very high0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-63.6-38179.4-73.2172.1000112.4V342 G343 N350 L385 V431 V433 A442 L456V342-L346 HydrophobicContact CG1-CD1 4.09Å; V342-L346 WeakPolarHBondContact O-CG 3.49Å; V342-L346 PolarHBondContact O-N 3.06Å; G343-L346 PolarHBondContact O-N 2.84Å; L346-N350 PolarHBondContact O-N 3.26Å; L346-L385 HydrophobicContact CB-CD2 3.88Å; L346-V431 HydrophobicContact CD1-CB 3.83Å; L346-V431 HydrophobicContact CD1-CG1 3.42Å; L346-V431 VanDerWaalsContact CD1-CG1 3.42Å; L346-V433 HydrophobicContact CB-CG2 4.08Å; L346-V433 HydrophobicContact CD1-CG1 4.14Å; L346-V433 HydrophobicContact CD1-CG2 4.15Å; L346-V433 HydrophobicContact CD2-CG2 4.26Å; L346-V433 HydrophobicContact CG-CG2 4.41Å; L346-A442 HydrophobicContact CD1-CB 4.11Å; L346-A442 HydrophobicContact CD2-CB 3.77Å; L346-A442 HydrophobicContact CG-CB 3.89Å; L346-L456 HydrophobicContact CD2-CD1 4.37Å
347H93.5Very high91.6Very high50 Ų5039.3 Ų39.323%0.23120%0.197CC..Hα-helixtrans-60-54.4171.8-177.599.3000111G343 A344 V345 C349 N350 L385 H388G343-H347 PolarHBondContact O-N 3.25Å; A344-H347 PolarHBondContact O-N 3.47Å; V345-H347 VanDerWaalsContact C-N 3.33Å; V345-H347 PolarHBondContact O-N 2.92Å; H347-C349 VanDerWaalsContact C-N 3.31Å; H347-C349 PolarHBondContact O-N 2.92Å; H347-N350 VanDerWaalsContact O-CB 3.23Å; H347-N350 WeakPolarHBondContact O-CB 3.5Å; H347-N350 PolarHBondContact O-N 3.44Å; H347-N350 VanDerWaalsContact O-N 3.11Å; H347-L385 HydrophobicContact CB-CD2 4.46Å; H347-L385 PolarHBondContact ND1-O 3.47Å; H347-H388 VanDerWaalsContact CD2-CB 3.42Å; H347-H388 WeakPolarHBondContact CD2-CB 3.4Å; H347-H388 AromaticContact CD2-CD2 3.72Å; H347-H388 AromaticContact CD2-CG 3.68Å; H347-H388 AromaticContact CG-CD2 3.58Å; H347-H388 AromaticContact CG-CG 3.96Å; H347-H388 VanDerWaalsContact NE2-CB 3.26Å; H347-H388 WeakPolarHBondContact NE2-CB 3.28Å
348S92.5Very high91.7Very high30 Ų3038.7 Ų38.721%0.2120%0.198CC..Hα-helixtrans-64.6-36.9-173.6-57.90000112A344 V345 N350 A534A344-S348 WeakPolarHBondContact O-CB 3.48Å; A344-S348 PolarHBondContact O-N 2.77Å; A344-S348 PolarHBondContact O-OG 2.86Å; V345-S348 PolarHBondContact O-N 3.39Å; S348-N350 VanDerWaalsContact C-N 3.28Å; S348-N350 PolarHBondContact O-N 3.29Å; S348-A534 WeakPolarHBondContact O-CB 3.47Å
349C92.4Very high91.6Very high4 Ų438.7 Ų38.73%0.02720%0.198CC..THydrogen-bonded Turntrans-83.32.4178.8-650000113.9V345 H347 A351 Y440 L456 W511V345-C349 VanDerWaalsContact O-CB 3.31Å; V345-C349 WeakPolarHBondContact O-CB 3.27Å; V345-C349 PolarHBondContact O-N 3.33Å; V345-C349 PolarHBondContact O-SG 3.11Å; V345-C349 VanDerWaalsContact O-SG 3.4Å; H347-C349 VanDerWaalsContact C-N 3.31Å; H347-C349 PolarHBondContact O-N 2.92Å; C349-A351 VanDerWaalsContact C-N 3.34Å; C349-A351 PolarHBondContact O-N 3.38Å; C349-Y440 WeakPolarHBondContact O-CE1 3.02Å; C349-L456 HydrophobicContact CB-CD2 4.5Å; C349-W511 HydrophobicContact CB-CH2 3.85Å; C349-W511 HydrophobicContact CB-CZ2 4.11Å; C349-W511 HydrophobicContact CB-CZ3 4.37Å
350N89.3Confident91.6Very high13 Ų1341.5 Ų41.57%0.0721%0.211CC..  trans-71.686.3175.1179.89.8000111.4L346 H347 S348 S352 R353 K354 F356 Y440L346-N350 PolarHBondContact O-N 3.26Å; H347-N350 VanDerWaalsContact O-CB 3.23Å; H347-N350 WeakPolarHBondContact O-CB 3.5Å; H347-N350 PolarHBondContact O-N 3.44Å; H347-N350 VanDerWaalsContact O-N 3.11Å; S348-N350 VanDerWaalsContact C-N 3.28Å; S348-N350 PolarHBondContact O-N 3.29Å; N350-S352 PolarHBondContact O-N 3.34Å; N350-S352 VanDerWaalsContact O-N 3.1Å; N350-S352 WeakPolarHBondContact OD1-CB 3.39Å; N350-S352 PolarHBondContact OD1-N 3.48Å; N350-S352 VanDerWaalsContact OD1-N 3.15Å; N350-S352 PolarHBondContact OD1-OG 2.93Å; N350-R353 PolarHBondContact O-N 3.26Å; N350-R353 VanDerWaalsContact O-N 3.1Å; N350-K354 PolarHBondContact ND2-O 2.76Å; N350-F356 HydrophobicContact CB-CE1 4.14Å; N350-F356 HydrophobicContact CB-CZ 3.83Å; N350-F356 WeakPolarHBondContact ND2-CZ 3.3Å; N350-Y440 PolarHBondContact OD1-OH 2.82Å
351A80.4Confident91.6Very high42 Ų4238.1 Ų38.135%0.34720%0.195SC..THydrogen-bonded Turntrans-58.5-23.9178.700000114.2C349 R353 N532C349-A351 VanDerWaalsContact C-N 3.34Å; C349-A351 PolarHBondContact O-N 3.38Å; A351-R353 VanDerWaalsContact C-N 3.28Å; A351-R353 PolarHBondContact O-N 3.29Å; A351-N532 WeakPolarHBondContact CB-OD1 3.22Å
352S79.8Confident91.4Very high22 Ų2239.9 Ų39.915%0.15420%0.204CC..THydrogen-bonded Turntrans-69.9-25.8179.177.70000112.8N350 K354 Y440N350-S352 PolarHBondContact O-N 3.34Å; N350-S352 VanDerWaalsContact O-N 3.1Å; N350-S352 WeakPolarHBondContact OD1-CB 3.39Å; N350-S352 PolarHBondContact OD1-N 3.48Å; N350-S352 VanDerWaalsContact OD1-N 3.15Å; N350-S352 PolarHBondContact OD1-OG 2.93Å; S352-K354 PolarHBondContact O-N 3.24Å; S352-K354 PolarHBondContact OG-N 3.07Å; S352-K354 VanDerWaalsContact OG-N 3.11Å; S352-Y440 PolarHBondContact N-OH 2.83Å
353R81.7Confident91Very high220 Ų22039.8 Ų39.883%0.8320%0.203SC*.  trans51.216.9-168.7-55.4-173.9177-155-4.5113.9N350 A351N350-R353 PolarHBondContact O-N 3.26Å; N350-R353 VanDerWaalsContact O-N 3.1Å; A351-R353 VanDerWaalsContact C-N 3.28Å; A351-R353 PolarHBondContact O-N 3.29Å
354K86.6Confident90.5Very high119 Ų11940.9 Ų40.952%0.51721%0.208SC..PPolyproline II helixtrans-91.6152.3174.8-65.4-61.6-175.2176.50109.8N350 S352 D436N350-K354 PolarHBondContact ND2-O 2.76Å; S352-K354 PolarHBondContact O-N 3.24Å; S352-K354 PolarHBondContact OG-N 3.07Å; S352-K354 VanDerWaalsContact OG-N 3.11Å; K354-D436 HydrophobicContact CB-CB 4.1Å; K354-D436 HydrophobicContact CG-CB 4.06Å
355P87.5Confident89.7Confident90 Ų9040.4 Ų40.458%0.58421%0.205SC*.PPolyproline II helixtrans-56.5147.3174.8-23.833.8000112.1
356F92Very high88.2Confident16 Ų1644 Ų447%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-72.5144.4172.9-59.6-74000110.4N350 L385 I408 V433 V434 A435N350-F356 HydrophobicContact CB-CE1 4.14Å; N350-F356 HydrophobicContact CB-CZ 3.83Å; N350-F356 WeakPolarHBondContact ND2-CZ 3.3Å; F356-L385 HydrophobicContact CD2-CD2 4.28Å; F356-L385 HydrophobicContact CE2-CD2 3.79Å; F356-L385 HydrophobicContact CZ-CD2 3.98Å; F356-I408 HydrophobicContact CB-CD1 4.21Å; F356-I408 HydrophobicContact CB-CG1 4.22Å; F356-I408 WeakPolarHBondContact O-CG1 3.21Å; F356-V433 HydrophobicContact CD1-CB 3.78Å; F356-V433 HydrophobicContact CD1-CG2 3.74Å; F356-V433 HydrophobicContact CE1-CB 4.05Å; F356-V433 HydrophobicContact CE1-CG2 3.47Å; F356-V433 VanDerWaalsContact CE1-CG2 3.47Å; F356-V433 HydrophobicContact CZ-CG2 4.29Å; F356-V434 CarbonylContact C-O 3.57Å; F356-V434 VanDerWaalsContact CA-O 3.29Å; F356-V434 WeakPolarHBondContact CA-O 3.37Å; F356-A435 HydrophobicContact CD1-CB 3.73Å; F356-A435 HydrophobicContact CE1-CB 4.01Å
357S93.2Very high86.9Confident44 Ų4446.3 Ų46.331%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-110.3-25175.261.60000112.9A409 V434S357-A409 PolarHBondContact O-N 3.3Å; S357-V434 PolarHBondContact N-O 3.28Å; S357-V434 PolarHBondContact OG-O 2.88Å
358H94.6Very high85.8Confident77 Ų7750.3 Ų50.336%0.35628%0.276SS..EExtended strand (participates in β ladder)trans-140.4146.1-180-60.673.1000111A409 V433 V434H358-A409 CarbonylContact C-O 3.55Å; H358-A409 VanDerWaalsContact CA-O 3.3Å; H358-A409 WeakPolarHBondContact CA-O 3.42Å; H358-V433 VanDerWaalsContact O-CA 3.29Å; H358-V433 WeakPolarHBondContact O-CA 3.4Å; H358-V434 HydrophobicContact CB-CB 4.09Å; H358-V434 HydrophobicContact CB-CG2 4.13Å; H358-V434 PolarHBondContact O-N 3.01Å
359A94.8Very high84.8Confident1 Ų150.8 Ų50.81%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-132.3113.9167.400000109.2I361 L382 I408 A409 V410 A411 E432 V433A359-I361 HydrophobicContact CB-CD1 4.06Å; A359-L382 HydrophobicContact CB-CD2 4.16Å; A359-I408 HydrophobicContact CB-CG2 3.97Å; A359-A409 PolarHBondContact N-O 3.42Å; A359-V410 WeakPolarHBondContact O-CA 3.33Å; A359-A411 PolarHBondContact O-N 3.14Å; A359-E432 CarbonylContact C-O 3.51Å; A359-E432 WeakPolarHBondContact CA-O 3.38Å; A359-V433 HydrophobicContact CB-CG1 4.18Å
360H95.4Very high84.1Confident58 Ų5851.1 Ų51.127%0.26928%0.281SS..EExtended strand (participates in β ladder)trans-104.4119.3174.6-61.2170.2000109.3A411 V431 E432H360-A411 WeakPolarHBondContact CA-O 3.37Å; H360-V431 WeakPolarHBondContact O-CA 3.44Å; H360-E432 HydrophobicContact CB-CB 4.23Å; H360-E432 PolarHBondContact N-O 3.47Å; H360-E432 IonicContact ND1-OE2 3.94Å; H360-E432 PolarHBondContact O-N 3.46Å
361I94.8Very high83.6Confident0 Ų056.9 Ų56.90%031%0.306CS..EExtended strand (participates in β ladder)trans-111.5127.2-178-62.383.8000108A359 F377 T378 V410 A411 L412 Y413A359-I361 HydrophobicContact CB-CD1 4.06Å; I361-F377 HydrophobicContact CG2-CD1 3.66Å; I361-F377 HydrophobicContact CG2-CE1 3.88Å; I361-T378 HydrophobicContact CD1-CG2 3.79Å; I361-T378 HydrophobicContact CG1-CG2 4.23Å; I361-V410 HydrophobicContact CD1-CG1 3.92Å; I361-A411 PolarHBondContact N-O 3.48Å; I361-L412 HydrophobicContact CB-CD1 4.11Å; I361-L412 HydrophobicContact CG2-CD1 3.83Å; I361-L412 WeakPolarHBondContact O-CA 3.4Å; I361-Y413 PolarHBondContact O-N 2.99Å
362I91.4Very high83.6Confident39 Ų3958.9 Ų58.920%0.232%0.317CS..EExtended strand (participates in β ladder)trans-124.1114.3175.8-51175.1000108.4Q364 Y413 Q415 K430I362-Q364 HydrophobicContact CG2-CG 3.82Å; I362-Y413 WeakPolarHBondContact CA-O 3.39Å; I362-Y413 HydrophobicContact CG1-CD2 4.34Å; I362-Q415 HydrophobicContact CG2-CB 4.48Å; I362-Q415 HydrophobicContact CG2-CG 4Å; I362-K430 HydrophobicContact CB-CB 4.24Å; I362-K430 PolarHBondContact N-O 2.84Å; I362-K430 PolarHBondContact O-N 2.81Å
363T88.6Confident83.8Confident1 Ų157.8 Ų57.81%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-95.8121.4170.851.10000108.9M370 F377 Y413 F414 Q415T363-M370 PolarHBondContact OG1-O 3.34Å; T363-F377 HydrophobicContact CG2-CD1 4.13Å; T363-Y413 PolarHBondContact N-O 3.49Å; T363-Y413 VanDerWaalsContact N-O 3.07Å; T363-Y413 PolarHBondContact OG1-O 2.89Å; T363-F414 WeakPolarHBondContact O-CD2 3.32Å; T363-Q415 PolarHBondContact O-N 3.45Å
364Q86.4Confident84Confident22 Ų2247.4 Ų47.410%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-116.4133.2-178.2-52.6-169.4-39.400110.7I362 Q415 G427 V428I362-Q364 HydrophobicContact CG2-CG 3.82Å; Q364-Q415 WeakPolarHBondContact CA-O 3.19Å; Q364-Q415 HydrophobicContact CG-CB 4.25Å; Q364-G427 CarbonylContact O-C 3.54Å; Q364-G427 WeakPolarHBondContact O-CA 3.07Å; Q364-V428 WeakPolarHBondContact CA-O 3.45Å; Q364-V428 HydrophobicContact CB-CB 4.46Å; Q364-V428 WeakPolarHBondContact CB-O 3.46Å; Q364-V428 PolarHBondContact N-O 2.81Å; Q364-V428 PolarHBondContact O-N 2.88Å
365G77.9Confident84.1Confident1 Ų143.4 Ų43.41%0.0126%0.263CS..EExtended strand (participates in β ladder)trans167.5180174.100000113.4Q415G365-Q415 PolarHBondContact N-O 2.83Å
366S64.6Low84.2Confident75 Ų7539.9 Ų39.952%0.52424%0.238SC..SBendtrans-101.3139.1169.749.30000109.7
367G67.2Low84.2Confident48 Ų4839.1 Ų39.150%0.49524%0.235SC..SBendtrans103.3162.4175.900000116.3S369G367-S369 VanDerWaalsContact C-N 3.32Å; G367-S369 PolarHBondContact O-N 2.92Å
368D70Confident84.2Confident134 Ų13437.4 Ų37.472%0.71722%0.223SC*.Hα-helixtrans-72.1-21.1-175.6-73.7-31.7000113.6K371 S372D368-K371 PolarHBondContact O-N 3.25Å; D368-S372 WeakPolarHBondContact O-CB 3.35Å; D368-S372 PolarHBondContact O-N 3.35Å; D368-S372 PolarHBondContact O-OG 3.43Å
369S71.4Confident84.2Confident41 Ų4133.7 Ų33.729%0.28721%0.206SC..Hα-helixtrans-65.9-47.2178.966.20000111.5E331 G367 K371 S372 C373E331-S369 VanDerWaalsContact OE1-CB 3.22Å; E331-S369 WeakPolarHBondContact OE1-CB 3.28Å; E331-S369 PolarHBondContact OE1-OG 3.31Å; G367-S369 VanDerWaalsContact C-N 3.32Å; G367-S369 PolarHBondContact O-N 2.92Å; S369-K371 VanDerWaalsContact C-N 3.26Å; S369-K371 PolarHBondContact O-N 3.3Å; S369-S372 PolarHBondContact O-N 3.03Å; S369-S372 PolarHBondContact O-OG 2.9Å; S369-S372 VanDerWaalsContact O-OG 3.11Å; S369-C373 VanDerWaalsContact O-CB 3.3Å; S369-C373 WeakPolarHBondContact O-CB 3.4Å; S369-C373 PolarHBondContact O-N 3.17Å
370M79.5Confident84.2Confident10 Ų1033.7 Ų33.75%0.04921%0.205CC..Hα-helixtrans-67.2-26.8176.8-71-56.5-64.100113.2L335 T363 C373 F414L335-M370 HydrophobicContact CD1-SD 4.36Å; T363-M370 PolarHBondContact OG1-O 3.34Å; M370-C373 PolarHBondContact O-SG 3.27Å; M370-F414 HydrophobicContact CB-CE2 3.95Å
371K78.3Confident84.3Confident134 Ų13430.9 Ų30.958%0.58319%0.193SC*.Hα-helixtrans-74.9-41.8174-174.7177.9176.3-174.10111.8D368 S369 F414D368-K371 PolarHBondContact O-N 3.25Å; S369-K371 VanDerWaalsContact C-N 3.26Å; S369-K371 PolarHBondContact O-N 3.3Å; K371-F414 HydrophobicContact CB-CD1 4.27Å; K371-F414 HydrophobicContact CB-CD2 4.09Å; K371-F414 HydrophobicContact CB-CE1 4.02Å; K371-F414 HydrophobicContact CB-CE2 3.86Å; K371-F414 HydrophobicContact CB-CG 4.3Å; K371-F414 HydrophobicContact CB-CZ 3.82Å; K371-F414 HydrophobicContact CD-CD1 4.41Å; K371-F414 HydrophobicContact CD-CE1 4.28Å; K371-F414 HydrophobicContact CG-CD1 4.06Å; K371-F414 HydrophobicContact CG-CD2 4.49Å; K371-F414 HydrophobicContact CG-CE1 4.17Å; K371-F414 HydrophobicContact CG-CG 4.23Å; K371-F414 HydrophobicContact CG-CZ 4.47Å
372S79.3Confident84.3Confident84 Ų8431 Ų3159%0.58719%0.193SC*.Hα-helixtrans-79.1-17.3-178.955.30000113.5D368 S369 G374D368-S372 WeakPolarHBondContact O-CB 3.35Å; D368-S372 PolarHBondContact O-N 3.35Å; D368-S372 PolarHBondContact O-OG 3.43Å; S369-S372 PolarHBondContact O-N 3.03Å; S369-S372 PolarHBondContact O-OG 2.9Å; S369-S372 VanDerWaalsContact O-OG 3.11Å; S372-G374 PolarHBondContact O-N 3.35Å
373C84.1Confident84.5Confident0 Ų029.3 Ų29.30%019%0.185CC..THydrogen-bonded Turntrans-75.3-20.5-177.878.20000115.5L335 S369 M370 G375 Y376 F377L335-C373 HydrophobicContact CD1-CB 3.88Å; S369-C373 VanDerWaalsContact O-CB 3.3Å; S369-C373 WeakPolarHBondContact O-CB 3.4Å; S369-C373 PolarHBondContact O-N 3.17Å; M370-C373 PolarHBondContact O-SG 3.27Å; C373-G375 PolarHBondContact O-N 2.95Å; C373-Y376 VanDerWaalsContact CA-CE1 3.45Å; C373-Y376 WeakPolarHBondContact CA-OH 3.29Å; C373-Y376 HydrophobicContact CB-CE1 3.94Å; C373-Y376 HydrophobicContact CB-CE2 3.63Å; C373-Y376 WeakPolarHBondContact CB-OH 3.38Å; C373-Y376 PolarHBondContact O-N 3.09Å; C373-F377 VanDerWaalsContact O-CB 3.3Å; C373-F377 WeakPolarHBondContact O-CB 3.42Å; C373-F377 PolarHBondContact O-N 3.26Å
374G86.4Confident84.7Confident2 Ų229.6 Ų29.62%0.02119%0.187CC..Hα-helixtrans-54.8-35.9-168.500000114.2S372 T378S372-G374 PolarHBondContact O-N 3.35Å; G374-T378 WeakPolarHBondContact O-CB 3.16Å; G374-T378 PolarHBondContact O-N 2.97Å; G374-T378 PolarHBondContact O-OG1 3.44Å
375G88.4Confident85.1Confident34 Ų3428.6 Ų28.635%0.35118%0.183SC..Hα-helixtrans-66-52.6179.500000113.8C373 S379C373-G375 PolarHBondContact O-N 2.95Å; G375-S379 PolarHBondContact O-N 3.46Å; G375-S379 PolarHBondContact O-OG 3.41Å
376Y89.3Confident85.7Confident16 Ų1628.7 Ų28.76%0.06318%0.183CC..Hα-helixtrans-74.6-32.217960.9-109.2000112.1V323 G326 T327 L335 I336 C373 S379 A380V323-Y376 VanDerWaalsContact CG2-CA 3.46Å; G326-Y376 WeakPolarHBondContact O-CE1 3.38Å; T327-Y376 HydrophobicContact CG2-CD1 4.26Å; T327-Y376 HydrophobicContact CG2-CG 4.07Å; L335-Y376 HydrophobicContact CB-CE2 4.06Å; L335-Y376 HydrophobicContact CD1-CE2 4.32Å; I336-Y376 HydrophobicContact CD1-CD2 4.4Å; I336-Y376 HydrophobicContact CG1-CD2 3.89Å; C373-Y376 VanDerWaalsContact CA-CE1 3.45Å; C373-Y376 WeakPolarHBondContact CA-OH 3.29Å; C373-Y376 HydrophobicContact CB-CE1 3.94Å; C373-Y376 HydrophobicContact CB-CE2 3.63Å; C373-Y376 WeakPolarHBondContact CB-OH 3.38Å; C373-Y376 PolarHBondContact O-N 3.09Å; Y376-S379 PolarHBondContact O-N 2.85Å; Y376-A380 WeakPolarHBondContact O-CB 3.3Å; Y376-A380 PolarHBondContact O-N 3.1Å
377F92.7Very high86.9Confident0 Ų028.4 Ų28.40%018%0.176CC..Hα-helixtrans-64.8-44.9174.9-176.3-97.7000111.5L335 L338 G339 I361 T363 C373 S379 A380 V381 C429 V431L335-F377 HydrophobicContact CB-CD2 4.45Å; L335-F377 WeakPolarHBondContact O-CD2 3.46Å; L338-F377 HydrophobicContact CB-CE2 4.4Å; L338-F377 HydrophobicContact CD2-CE2 4.18Å; L338-F377 HydrophobicContact CG-CE2 4.14Å; G339-F377 VanDerWaalsContact CA-CE2 3.48Å; I361-F377 HydrophobicContact CG2-CD1 3.66Å; I361-F377 HydrophobicContact CG2-CE1 3.88Å; T363-F377 HydrophobicContact CG2-CD1 4.13Å; C373-F377 VanDerWaalsContact O-CB 3.3Å; C373-F377 WeakPolarHBondContact O-CB 3.42Å; C373-F377 PolarHBondContact O-N 3.26Å; F377-S379 VanDerWaalsContact C-N 3.3Å; F377-S379 PolarHBondContact O-N 2.93Å; F377-A380 WeakPolarHBondContact O-CB 3.32Å; F377-A380 PolarHBondContact O-N 3.32Å; F377-V381 HydrophobicContact CD1-CG2 4.11Å; F377-V381 HydrophobicContact CE1-CG2 3.59Å; F377-V381 HydrophobicContact CE2-CG2 4.42Å; F377-V381 HydrophobicContact CZ-CG2 3.75Å; F377-V381 WeakPolarHBondContact O-CG2 3.31Å; F377-V381 PolarHBondContact O-N 2.88Å; F377-C429 HydrophobicContact CD1-CB 4.39Å; F377-C429 HydrophobicContact CE1-CB 3.54Å; F377-C429 HydrophobicContact CE2-CB 3.79Å; F377-C429 HydrophobicContact CZ-CB 3.19Å; F377-V431 HydrophobicContact CE1-CG2 4.01Å; F377-V431 HydrophobicContact CZ-CG2 4.31Å
378T94.2Very high87.5Confident8 Ų830 Ų305%0.04917%0.17CC..Hα-helixtrans-57.6-45174.1-63.20000111.3I361 G374 A380 V381 L382 V410I361-T378 HydrophobicContact CD1-CG2 3.79Å; I361-T378 HydrophobicContact CG1-CG2 4.23Å; G374-T378 WeakPolarHBondContact O-CB 3.16Å; G374-T378 PolarHBondContact O-N 2.97Å; G374-T378 PolarHBondContact O-OG1 3.44Å; T378-A380 PolarHBondContact O-N 2.86Å; T378-V381 PolarHBondContact O-N 3.44Å; T378-L382 HydrophobicContact CG2-CD1 4.17Å; T378-L382 WeakPolarHBondContact O-CG 3.31Å; T378-L382 PolarHBondContact O-N 3.26Å; T378-L382 VanDerWaalsContact O-N 3.08Å; T378-V410 HydrophobicContact CG2-CG1 3.47Å; T378-V410 VanDerWaalsContact CG2-CG1 3.47Å
379S94.1Very high87.6Confident0 Ų026.7 Ų26.70%015%0.15CC..Hα-helixtrans-63.1-43.4178.5-55.20000111.1G375 Y376 F377 L382 V383 Q400G375-S379 PolarHBondContact O-N 3.46Å; G375-S379 PolarHBondContact O-OG 3.41Å; Y376-S379 PolarHBondContact O-N 2.85Å; F377-S379 VanDerWaalsContact C-N 3.3Å; F377-S379 PolarHBondContact O-N 2.93Å; S379-L382 PolarHBondContact O-N 3.08Å; S379-V383 WeakPolarHBondContact O-CG2 3.33Å; S379-V383 PolarHBondContact O-N 3.49Å; S379-Q400 PolarHBondContact OG-NE2 2.88Å
380A94.8Very high87.6Confident0 Ų031.2 Ų31.20%018%0.179CC..Hα-helixtrans-61.2-43.7176.300000112.9I336 E340 Y376 F377 T378 L382 V383 G384 L396I336-A380 HydrophobicContact CB-CB 4.36Å; I336-A380 HydrophobicContact CG2-CB 4.09Å; I336-A380 WeakPolarHBondContact O-CB 3.33Å; E340-A380 WeakPolarHBondContact CA-O 3.35Å; E340-A380 HydrophobicContact CG-CB 4.11Å; E340-A380 WeakPolarHBondContact CG-O 3.14Å; E340-A380 PolarHBondContact N-O 3.31Å; Y376-A380 WeakPolarHBondContact O-CB 3.3Å; Y376-A380 PolarHBondContact O-N 3.1Å; F377-A380 WeakPolarHBondContact O-CB 3.32Å; F377-A380 PolarHBondContact O-N 3.32Å; T378-A380 PolarHBondContact O-N 2.86Å; A380-L382 VanDerWaalsContact C-N 3.33Å; A380-L382 PolarHBondContact O-N 3.38Å; A380-V383 WeakPolarHBondContact O-CB 3.24Å; A380-V383 PolarHBondContact O-N 3.23Å; A380-G384 PolarHBondContact O-N 3.47Å; A380-L396 HydrophobicContact CB-CD2 4.15Å
381V96.4Very high87.1Confident0 Ų035.1 Ų35.10%022%0.221CC..Hα-helixtrans-57.9-46.6174168.90000111.5G339 G343 F377 T378 V383 G384 L385 V431G339-V381 VanDerWaalsContact O-CA 3.31Å; G339-V381 WeakPolarHBondContact O-CA 3.46Å; G343-V381 WeakPolarHBondContact CA-O 3.44Å; F377-V381 HydrophobicContact CD1-CG2 4.11Å; F377-V381 HydrophobicContact CE1-CG2 3.59Å; F377-V381 HydrophobicContact CE2-CG2 4.42Å; F377-V381 HydrophobicContact CZ-CG2 3.75Å; F377-V381 WeakPolarHBondContact O-CG2 3.31Å; F377-V381 PolarHBondContact O-N 2.88Å; T378-V381 PolarHBondContact O-N 3.44Å; V381-V383 VanDerWaalsContact C-N 3.29Å; V381-V383 PolarHBondContact O-N 3.4Å; V381-G384 PolarHBondContact O-N 2.87Å; V381-L385 HydrophobicContact CG1-CD1 3.83Å; V381-L385 HydrophobicContact CG1-CG 4.47Å; V381-L385 WeakPolarHBondContact O-CG 3.34Å; V381-L385 PolarHBondContact O-N 3.37Å; V381-V431 HydrophobicContact CG1-CG1 3.64Å; V381-V431 HydrophobicContact CG1-CG2 4.18Å; V381-V431 HydrophobicContact CG2-CG2 3.77Å
382L95.4Very high87Confident1 Ų132.5 Ų32.51%0.00521%0.208CC..Hα-helixtrans-66.4-32.4178.8-64.6168.6000112.1A359 T378 S379 A380 L385 L386 V399 A403 I408 V410A359-L382 HydrophobicContact CB-CD2 4.16Å; T378-L382 HydrophobicContact CG2-CD1 4.17Å; T378-L382 WeakPolarHBondContact O-CG 3.31Å; T378-L382 PolarHBondContact O-N 3.26Å; T378-L382 VanDerWaalsContact O-N 3.08Å; S379-L382 PolarHBondContact O-N 3.08Å; A380-L382 VanDerWaalsContact C-N 3.33Å; A380-L382 PolarHBondContact O-N 3.38Å; L382-L385 HydrophobicContact CD2-CD1 4.23Å; L382-L385 PolarHBondContact O-N 2.93Å; L382-L386 WeakPolarHBondContact O-CB 3.49Å; L382-L386 VanDerWaalsContact O-CG 3.31Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.93Å; L382-V399 VanDerWaalsContact C-CG2 3.4Å; L382-V399 HydrophobicContact CB-CB 4.49Å; L382-V399 HydrophobicContact CB-CG2 3.25Å; L382-A403 HydrophobicContact CD1-CB 4.08Å; L382-A403 HydrophobicContact CD2-CB 4.2Å; L382-I408 HydrophobicContact CD2-CG2 4.39Å; L382-V410 HydrophobicContact CD1-CG2 3.97Å; L382-V410 HydrophobicContact CD2-CG2 4.2Å
383V94.9Very high87.3Confident5 Ų532.9 Ų32.93%0.0321%0.211CC..Hα-helixtrans-62-50174.5166.70000109.2E340 S379 A380 V381 L385 L386 N387 A394 N395 L396 V399E340-V383 HydrophobicContact CG-CB 4.31Å; E340-V383 HydrophobicContact CG-CG1 4.09Å; S379-V383 WeakPolarHBondContact O-CG2 3.33Å; S379-V383 PolarHBondContact O-N 3.49Å; A380-V383 WeakPolarHBondContact O-CB 3.24Å; A380-V383 PolarHBondContact O-N 3.23Å; V381-V383 VanDerWaalsContact C-N 3.29Å; V381-V383 PolarHBondContact O-N 3.4Å; V383-L385 VanDerWaalsContact C-N 3.28Å; V383-L385 PolarHBondContact O-N 3.19Å; V383-L386 PolarHBondContact O-N 2.9Å; V383-N387 VanDerWaalsContact CG1-ND2 3.29Å; V383-N387 WeakPolarHBondContact CG1-ND2 3.3Å; V383-N387 VanDerWaalsContact O-CB 3.32Å; V383-N387 WeakPolarHBondContact O-CB 3.33Å; V383-N387 PolarHBondContact O-N 3.07Å; V383-A394 HydrophobicContact CG2-CB 4.46Å; V383-N395 VanDerWaalsContact CG2-C 3.5Å; V383-L396 HydrophobicContact CG2-CD2 4.28Å; V383-V399 HydrophobicContact CG2-CB 3.86Å; V383-V399 HydrophobicContact CG2-CG1 4.1Å; V383-V399 HydrophobicContact CG2-CG2 3.87Å
384G94.1Very high87.6Confident6 Ų633.1 Ų33.16%0.06221%0.212CC..Hα-helixtrans-58.3-37.8174.300000113.2E340 G343 A344 A380 V381 H388E340-G384 VanDerWaalsContact O-CA 3.29Å; E340-G384 WeakPolarHBondContact O-CA 3.47Å; G343-G384 VanDerWaalsContact C-C 3.46Å; G343-G384 CarbonylContact C-O 3.57Å; A344-G384 WeakPolarHBondContact CA-O 3.39Å; A344-G384 PolarHBondContact N-O 2.91Å; A380-G384 PolarHBondContact O-N 3.47Å; V381-G384 PolarHBondContact O-N 2.87Å; G384-H388 PolarHBondContact O-CD2 3.31Å; G384-H388 PolarHBondContact O-NE2 3.38Å
385L93.5Very high87.9Confident1 Ų135.5 Ų35.51%0.00523%0.225CC..Hα-helixtrans-70.6-34.3179.1-74.1165000113.6G343 L346 H347 F356 V381 L382 V383 V433G343-L385 WeakPolarHBondContact O-CD2 3.37Å; L346-L385 HydrophobicContact CB-CD2 3.88Å; H347-L385 HydrophobicContact CB-CD2 4.46Å; H347-L385 PolarHBondContact ND1-O 3.47Å; F356-L385 HydrophobicContact CD2-CD2 4.28Å; F356-L385 HydrophobicContact CE2-CD2 3.79Å; F356-L385 HydrophobicContact CZ-CD2 3.98Å; V381-L385 HydrophobicContact CG1-CD1 3.83Å; V381-L385 HydrophobicContact CG1-CG 4.47Å; V381-L385 WeakPolarHBondContact O-CG 3.34Å; V381-L385 PolarHBondContact O-N 3.37Å; L382-L385 HydrophobicContact CD2-CD1 4.23Å; L382-L385 PolarHBondContact O-N 2.93Å; V383-L385 VanDerWaalsContact C-N 3.28Å; V383-L385 PolarHBondContact O-N 3.19Å; L385-V433 HydrophobicContact CD1-CG1 3.72Å; L385-V433 HydrophobicContact CD2-CG1 4.12Å
386L92Very high87.9Confident4 Ų435.1 Ų35.12%0.02122%0.215CC..Hα-helixtrans-102.4-21.4-168.3-65.4177.7000114.4L382 V383 H388 E389 A394 V399 L402 A403 I408L382-L386 WeakPolarHBondContact O-CB 3.49Å; L382-L386 VanDerWaalsContact O-CG 3.31Å; L382-L386 WeakPolarHBondContact O-CG 3.49Å; L382-L386 PolarHBondContact O-N 2.93Å; V383-L386 PolarHBondContact O-N 2.9Å; L386-H388 PolarHBondContact O-N 3.14Å; L386-H388 VanDerWaalsContact O-N 3.14Å; L386-E389 PolarHBondContact O-N 3.4Å; L386-A394 HydrophobicContact CB-CB 4.17Å; L386-V399 HydrophobicContact CD1-CG2 4.08Å; L386-L402 HydrophobicContact CD1-CB 4.03Å; L386-A403 HydrophobicContact CD1-CB 4.3Å; L386-I408 HydrophobicContact CD2-CD1 3.88Å
387N88.8Confident88Confident69 Ų6935.1 Ų35.137%0.36922%0.215SC..THydrogen-bonded Turntrans-730.3-177.6-89.6-13.6000115.6V383 A394V383-N387 VanDerWaalsContact CG1-ND2 3.29Å; V383-N387 WeakPolarHBondContact CG1-ND2 3.3Å; V383-N387 VanDerWaalsContact O-CB 3.32Å; V383-N387 WeakPolarHBondContact O-CB 3.33Å; V383-N387 PolarHBondContact O-N 3.07Å; N387-A394 PolarHBondContact ND2-O 2.65Å; N387-A394 WeakPolarHBondContact OD1-CA 3.35Å; N387-A394 VanDerWaalsContact OD1-CB 3.28Å; N387-A394 WeakPolarHBondContact OD1-CB 3.17Å; N387-A394 PolarHBondContact OD1-N 2.87Å; N387-A394 PolarHBondContact OD1-O 3.48Å
388H79.4Confident87.9Confident80 Ų8035.4 Ų35.437%0.3722%0.217SC..THydrogen-bonded Turntrans-93-2.4176.5-63.7-69.2000113.4A344 H347 G384 L386A344-H388 WeakPolarHBondContact CA-NE2 3.37Å; A344-H388 WeakPolarHBondContact CB-NE2 3.26Å; H347-H388 VanDerWaalsContact CD2-CB 3.42Å; H347-H388 WeakPolarHBondContact CD2-CB 3.4Å; H347-H388 AromaticContact CD2-CD2 3.72Å; H347-H388 AromaticContact CD2-CG 3.68Å; H347-H388 AromaticContact CG-CD2 3.58Å; H347-H388 AromaticContact CG-CG 3.96Å; H347-H388 VanDerWaalsContact NE2-CB 3.26Å; H347-H388 WeakPolarHBondContact NE2-CB 3.28Å; G384-H388 PolarHBondContact O-CD2 3.31Å; G384-H388 PolarHBondContact O-NE2 3.38Å; L386-H388 PolarHBondContact O-N 3.14Å; L386-H388 VanDerWaalsContact O-N 3.14Å
389E72.6Confident87.8Confident66 Ų6635 Ų3531%0.30821%0.214SC..SBendtrans-89.9130.3176.7-68.8-175.1-179.700111.8L386 G391 R392L386-E389 PolarHBondContact O-N 3.4Å; E389-G391 PolarHBondContact O-N 3.2Å; E389-R392 HydrophobicContact CB-CB 4.46Å; E389-R392 HydrophobicContact CB-CG 4.47Å; E389-R392 PolarHBondContact O-N 3.45Å; E389-R392 IonicContact OE1-NH1 3.92Å; E389-R392 WeakPolarHBondContact OE2-CD 3.37Å; E389-R392 IonicContact OE2-CZ 3.12Å; E389-R392 IonicContact OE2-NE 3.29Å; E389-R392 PolarHBondContact OE2-NE 2.83Å; E389-R392 IonicContact OE2-NH1 2.65Å; E389-R392 PolarHBondContact OE2-NH1 2.93Å
390P71.8Confident87.7Confident135 Ų13540.3 Ų40.388%0.87724%0.239SC*.THydrogen-bonded Turntrans-56.5131.1179.3-2432.4000112.5R392P390-R392 VanDerWaalsContact C-N 3.31Å; P390-R392 PolarHBondContact O-N 3.03Å
391G69.3Low87.4Confident92 Ų9242.4 Ų42.495%0.94825%0.254SS*.THydrogen-bonded Turntrans81.52.7176.500000115.2E389E389-G391 PolarHBondContact O-N 3.2Å
392R76.1Confident87.2Confident80 Ų8043.5 Ų43.530%0.30226%0.259SS..  trans-102.5136.5171-72.4-176.7171.8-171.4-12.1110.7E389 P390 S406E389-R392 HydrophobicContact CB-CB 4.46Å; E389-R392 HydrophobicContact CB-CG 4.47Å; E389-R392 PolarHBondContact O-N 3.45Å; E389-R392 IonicContact OE1-NH1 3.92Å; E389-R392 WeakPolarHBondContact OE2-CD 3.37Å; E389-R392 IonicContact OE2-CZ 3.12Å; E389-R392 IonicContact OE2-NE 3.29Å; E389-R392 PolarHBondContact OE2-NE 2.83Å; E389-R392 IonicContact OE2-NH1 2.65Å; E389-R392 PolarHBondContact OE2-NH1 2.93Å; P390-R392 VanDerWaalsContact C-N 3.31Å; P390-R392 PolarHBondContact O-N 3.03Å; R392-S406 PolarHBondContact NH1-OG 3.37Å; R392-S406 PolarHBondContact NH2-OG 2.65Å
393S84.6Confident87Confident92 Ų9243.5 Ų43.564%0.64326%0.26SS*.  trans-128.182.5173.71760000108.1N398S393-N398 PolarHBondContact O-ND2 3.04Å
394A90.8Very high86.8Confident4 Ų451.5 Ų51.53%0.03329%0.294CS..  trans-76.8138.8174.800000111.1V383 L386 N387 N398 V399 L402V383-A394 HydrophobicContact CG2-CB 4.46Å; L386-A394 HydrophobicContact CB-CB 4.17Å; N387-A394 PolarHBondContact ND2-O 2.65Å; N387-A394 WeakPolarHBondContact OD1-CA 3.35Å; N387-A394 VanDerWaalsContact OD1-CB 3.28Å; N387-A394 WeakPolarHBondContact OD1-CB 3.17Å; N387-A394 PolarHBondContact OD1-N 2.87Å; N387-A394 PolarHBondContact OD1-O 3.48Å; A394-N398 VanDerWaalsContact CA-OD1 3.24Å; A394-N398 WeakPolarHBondContact CA-OD1 3.29Å; A394-V399 HydrophobicContact CB-CB 4.43Å; A394-V399 HydrophobicContact CB-CG2 4.22Å; A394-L402 HydrophobicContact CB-CD1 3.76Å
395N91.9Very high86.6Confident53 Ų5356.5 Ų56.528%0.28332%0.316SS..  trans-141.9175.6171.970.522.6000109.7G95 V383 I397 N398 V399G95-N395 WeakPolarHBondContact CA-ND2 3.26Å; G95-N395 PolarHBondContact O-ND2 2.99Å; V383-N395 VanDerWaalsContact CG2-C 3.5Å; N395-I397 PolarHBondContact O-N 3.03Å; N395-I397 WeakPolarHBondContact OD1-CA 3.31Å; N395-I397 VanDerWaalsContact OD1-CB 3.26Å; N395-I397 WeakPolarHBondContact OD1-CB 3.32Å; N395-I397 PolarHBondContact OD1-N 2.82Å; N395-N398 PolarHBondContact N-OD1 2.87Å; N395-N398 PolarHBondContact O-N 2.85Å; N395-N398 PolarHBondContact O-OD1 3.14Å; N395-N398 PolarHBondContact OD1-N 3.27Å; N395-N398 PolarHBondContact OD1-OD1 3.37Å; N395-V399 WeakPolarHBondContact O-CB 3.36Å; N395-V399 WeakPolarHBondContact O-CG1 3.23Å; N395-V399 PolarHBondContact O-N 3.21Å
396L89.9Confident86.4Confident26 Ų2658 Ų5814%0.13633%0.326CS..THydrogen-bonded Turntrans-60.6-11.9-176.7-60.3179.8000114.8V323 L324 I336 A380 V383V323-L396 WeakPolarHBondContact CG1-O 3.42Å; L324-L396 HydrophobicContact CD2-CB 3.8Å; L324-L396 HydrophobicContact CD2-CD1 3.72Å; L324-L396 HydrophobicContact CD2-CG 4.42Å; I336-L396 HydrophobicContact CD1-CD1 4.07Å; I336-L396 HydrophobicContact CG1-CD1 4.48Å; I336-L396 HydrophobicContact CG2-CD1 4.4Å; A380-L396 HydrophobicContact CB-CD2 4.15Å; V383-L396 HydrophobicContact CG2-CD2 4.28Å
397I89.9Confident86.4Confident15 Ų1560.2 Ų60.28%0.07735%0.351CS..THydrogen-bonded Turntrans-90.2-52.5177.7-50.8-49.7000111.1T92 I97 A321 L324 N395T92-I397 HydrophobicContact CG2-CG2 4.41Å; I97-I397 HydrophobicContact CG1-CD1 4.06Å; I97-I397 HydrophobicContact CG1-CG1 4.01Å; A321-I397 HydrophobicContact CB-CD1 3.36Å; L324-I397 HydrophobicContact CD1-CD1 3.55Å; L324-I397 HydrophobicContact CD2-CD1 4.33Å; L324-I397 HydrophobicContact CG-CD1 3.73Å; N395-I397 PolarHBondContact O-N 3.03Å; N395-I397 WeakPolarHBondContact OD1-CA 3.31Å; N395-I397 VanDerWaalsContact OD1-CB 3.26Å; N395-I397 WeakPolarHBondContact OD1-CB 3.32Å; N395-I397 PolarHBondContact OD1-N 2.82Å
398N90.8Very high86.7Confident6 Ų657.5 Ų57.53%0.03234%0.336CS..THydrogen-bonded Turntrans-90.5-15.5-170.372.6-5.5000113.9T92 K93 S393 A394 N395 Q400 S401 L402T92-N398 WeakPolarHBondContact O-CA 3.47Å; T92-N398 WeakPolarHBondContact O-CB 3.41Å; K93-N398 WeakPolarHBondContact O-CB 3.49Å; K93-N398 PolarHBondContact O-ND2 3.02Å; K93-N398 VanDerWaalsContact O-ND2 3.12Å; S393-N398 PolarHBondContact O-ND2 3.04Å; A394-N398 VanDerWaalsContact CA-OD1 3.24Å; A394-N398 WeakPolarHBondContact CA-OD1 3.29Å; N395-N398 PolarHBondContact N-OD1 2.87Å; N395-N398 PolarHBondContact O-N 2.85Å; N395-N398 PolarHBondContact O-OD1 3.14Å; N395-N398 PolarHBondContact OD1-N 3.27Å; N395-N398 PolarHBondContact OD1-OD1 3.37Å; N398-Q400 VanDerWaalsContact C-N 3.31Å; N398-Q400 PolarHBondContact O-N 3.27Å; N398-S401 WeakPolarHBondContact O-CB 3.41Å; N398-S401 PolarHBondContact O-N 2.99Å; N398-S401 VanDerWaalsContact O-N 3.1Å; N398-L402 HydrophobicContact CB-CD1 4.42Å; N398-L402 WeakPolarHBondContact O-CG 3.28Å; N398-L402 PolarHBondContact O-N 2.77Å
399V92.3Very high87.4Confident0 Ų056 Ų560%034%0.337CS..Hα-helixtrans-62-35.1-167.268.60000113.7L382 V383 L386 A394 N395 L402 A403L382-V399 VanDerWaalsContact C-CG2 3.4Å; L382-V399 HydrophobicContact CB-CB 4.49Å; L382-V399 HydrophobicContact CB-CG2 3.25Å; V383-V399 HydrophobicContact CG2-CB 3.86Å; V383-V399 HydrophobicContact CG2-CG1 4.1Å; V383-V399 HydrophobicContact CG2-CG2 3.87Å; L386-V399 HydrophobicContact CD1-CG2 4.08Å; A394-V399 HydrophobicContact CB-CB 4.43Å; A394-V399 HydrophobicContact CB-CG2 4.22Å; N395-V399 WeakPolarHBondContact O-CB 3.36Å; N395-V399 WeakPolarHBondContact O-CG1 3.23Å; N395-V399 PolarHBondContact O-N 3.21Å; V399-L402 PolarHBondContact O-N 2.96Å; V399-A403 VanDerWaalsContact O-CB 3.31Å; V399-A403 WeakPolarHBondContact O-CB 3.45Å; V399-A403 PolarHBondContact O-N 2.79Å
400Q91.5Very high88.4Confident112 Ų11256 Ų5652%0.52334%0.342SS..Hα-helixtrans-66.8-40178.2-64.2-168.69.400111.9S379 N398 A403 K404S379-Q400 PolarHBondContact OG-NE2 2.88Å; N398-Q400 VanDerWaalsContact C-N 3.31Å; N398-Q400 PolarHBondContact O-N 3.27Å; Q400-A403 PolarHBondContact O-N 3.33Å; Q400-K404 PolarHBondContact O-N 2.94Å; Q400-K404 VanDerWaalsContact O-N 3.09Å
401S90.2Very high89.5Confident43 Ų4350.6 Ų50.630%0.30131%0.309SS..Hα-helixtrans-65-44.5173.8-63.90000111.1N398 A403 K404 E405N398-S401 WeakPolarHBondContact O-CB 3.41Å; N398-S401 PolarHBondContact O-N 2.99Å; N398-S401 VanDerWaalsContact O-N 3.1Å; S401-A403 VanDerWaalsContact C-N 3.34Å; S401-A403 PolarHBondContact O-N 3.29Å; S401-K404 PolarHBondContact O-N 3.46Å; S401-E405 WeakPolarHBondContact O-CG 3.5Å; S401-E405 PolarHBondContact O-N 2.88Å
402L91.1Very high90.6Very high23 Ų2350.2 Ų50.212%0.1228%0.284CS..Hα-helixtrans-63-39.3177.8-68.5175.5000112.6L386 A394 N398 V399 E405 S406L386-L402 HydrophobicContact CD1-CB 4.03Å; A394-L402 HydrophobicContact CB-CD1 3.76Å; N398-L402 HydrophobicContact CB-CD1 4.42Å; N398-L402 WeakPolarHBondContact O-CG 3.28Å; N398-L402 PolarHBondContact O-N 2.77Å; V399-L402 PolarHBondContact O-N 2.96Å; L402-E405 PolarHBondContact O-N 2.82Å; L402-S406 WeakPolarHBondContact O-CB 3.33Å; L402-S406 PolarHBondContact O-N 3.4Å; L402-S406 PolarHBondContact O-OG 3.45Å
403A91.8Very high91.2Very high1 Ų152.5 Ų52.51%0.00829%0.294CS..Hα-helixtrans-62.6-45.3175.400000110.9L382 L386 V399 Q400 S401 S406 G407 I408L382-A403 HydrophobicContact CD1-CB 4.08Å; L382-A403 HydrophobicContact CD2-CB 4.2Å; L386-A403 HydrophobicContact CD1-CB 4.3Å; V399-A403 VanDerWaalsContact O-CB 3.31Å; V399-A403 WeakPolarHBondContact O-CB 3.45Å; V399-A403 PolarHBondContact O-N 2.79Å; Q400-A403 PolarHBondContact O-N 3.33Å; S401-A403 VanDerWaalsContact C-N 3.34Å; S401-A403 PolarHBondContact O-N 3.29Å; A403-S406 CarbonylContact O-C 3.57Å; A403-S406 PolarHBondContact O-N 3.5Å; A403-G407 PolarHBondContact O-N 3.28Å; A403-G407 VanDerWaalsContact O-N 3.14Å; A403-I408 HydrophobicContact CB-CB 4.23Å; A403-I408 HydrophobicContact CB-CD1 4.48Å; A403-I408 WeakPolarHBondContact O-CB 3.32Å; A403-I408 PolarHBondContact O-N 2.91Å
404K91.3Very high91.3Very high173 Ų17351.6 Ų51.675%0.75228%0.278SS*.Hα-helixtrans-63.4-44.2176.2-174.1179.5178.5-178.20112.5Q400 S401 S406 G407Q400-K404 PolarHBondContact O-N 2.94Å; Q400-K404 VanDerWaalsContact O-N 3.09Å; S401-K404 PolarHBondContact O-N 3.46Å; K404-S406 PolarHBondContact O-N 3.47Å; K404-G407 PolarHBondContact O-N 2.89Å
405E89.9Confident91Very high112 Ų11255.5 Ų55.552%0.52330%0.296SS..Hα-helixtrans-62.3-31.9175.2-74.1177.7179.700112K93 S401 L402 G407K93-E405 WeakPolarHBondContact CE-OE1 3.3Å; K93-E405 IonicContact NZ-OE1 3.03Å; S401-E405 WeakPolarHBondContact O-CG 3.5Å; S401-E405 PolarHBondContact O-N 2.88Å; L402-E405 PolarHBondContact O-N 2.82Å; E405-G407 VanDerWaalsContact C-N 3.26Å; E405-G407 PolarHBondContact O-N 2.92Å
406S89.1Confident90.4Very high31 Ų3157.4 Ų57.422%0.21731%0.309CS..THydrogen-bonded Turntrans-82.80.5174.9-53.20000113.6R392 L402 A403 K404R392-S406 PolarHBondContact NH1-OG 3.37Å; R392-S406 PolarHBondContact NH2-OG 2.65Å; L402-S406 WeakPolarHBondContact O-CB 3.33Å; L402-S406 PolarHBondContact O-N 3.4Å; L402-S406 PolarHBondContact O-OG 3.45Å; A403-S406 CarbonylContact O-C 3.57Å; A403-S406 PolarHBondContact O-N 3.5Å; K404-S406 PolarHBondContact O-N 3.47Å
407G91.7Very high89.3Confident52 Ų5258.4 Ų58.454%0.53632%0.315SS..THydrogen-bonded Turntrans74.719179.100000115A403 K404 E405 A409A403-G407 PolarHBondContact O-N 3.28Å; A403-G407 VanDerWaalsContact O-N 3.14Å; K404-G407 PolarHBondContact O-N 2.89Å; E405-G407 VanDerWaalsContact C-N 3.26Å; E405-G407 PolarHBondContact O-N 2.92Å; G407-A409 PolarHBondContact O-N 2.94Å
408I94.1Very high87.7Confident11 Ų1166.6 Ų66.66%0.05635%0.353CS..  trans-82.6113.1178.3-56.8171.8000109.1F356 A359 L382 L386 A403 V410F356-I408 HydrophobicContact CB-CD1 4.21Å; F356-I408 HydrophobicContact CB-CG1 4.22Å; F356-I408 WeakPolarHBondContact O-CG1 3.21Å; A359-I408 HydrophobicContact CB-CG2 3.97Å; L382-I408 HydrophobicContact CD2-CG2 4.39Å; L386-I408 HydrophobicContact CD2-CD1 3.88Å; A403-I408 HydrophobicContact CB-CB 4.23Å; A403-I408 HydrophobicContact CB-CD1 4.48Å; A403-I408 WeakPolarHBondContact O-CB 3.32Å; A403-I408 PolarHBondContact O-N 2.91Å; I408-V410 HydrophobicContact CG2-CG2 4.24Å
409A94.4Very high85.7Confident49 Ų4969.1 Ų69.141%0.40537%0.371SS..EExtended strand (participates in β ladder)trans-77.7125.6169.300000110.3S357 H358 A359 G407S357-A409 PolarHBondContact O-N 3.3Å; H358-A409 CarbonylContact C-O 3.55Å; H358-A409 VanDerWaalsContact CA-O 3.3Å; H358-A409 WeakPolarHBondContact CA-O 3.42Å; A359-A409 PolarHBondContact N-O 3.42Å; G407-A409 PolarHBondContact O-N 2.94Å
410V94.8Very high83.4Confident66 Ų6678.8 Ų78.840%0.442%0.416SS..EExtended strand (participates in β ladder)trans-109.9129-175.4-176.60000110.1A359 I361 T378 L382 I408A359-V410 WeakPolarHBondContact O-CA 3.33Å; I361-V410 HydrophobicContact CD1-CG1 3.92Å; T378-V410 HydrophobicContact CG2-CG1 3.47Å; T378-V410 VanDerWaalsContact CG2-CG1 3.47Å; L382-V410 HydrophobicContact CD1-CG2 3.97Å; L382-V410 HydrophobicContact CD2-CG2 4.2Å; I408-V410 HydrophobicContact CG2-CG2 4.24Å
411A94Very high80.7Confident22 Ų2277.2 Ų77.218%0.18242%0.416CS..EExtended strand (participates in β ladder)trans-127.3132.4173.900000110.5A359 H360 I361 Y413A359-A411 PolarHBondContact O-N 3.14Å; H360-A411 WeakPolarHBondContact CA-O 3.37Å; I361-A411 PolarHBondContact N-O 3.48Å; A411-Y413 HydrophobicContact CB-CE2 3.69Å
412L91.6Very high78.2Confident83 Ų8379.2 Ų79.244%0.43544%0.435SS..EExtended strand (participates in β ladder)trans-118.1128.4179.4171.764000109.9I361I361-L412 HydrophobicContact CB-CD1 4.11Å; I361-L412 HydrophobicContact CG2-CD1 3.83Å; I361-L412 WeakPolarHBondContact O-CA 3.4Å
413Y89.2Confident75.9Confident129 Ų12983.2 Ų83.251%0.50647%0.465SS..EExtended strand (participates in β ladder)trans-126142.9175.7-53.8-85.3000110.4I361 I362 T363 A411I361-Y413 PolarHBondContact O-N 2.99Å; I362-Y413 WeakPolarHBondContact CA-O 3.39Å; I362-Y413 HydrophobicContact CG1-CD2 4.34Å; T363-Y413 PolarHBondContact N-O 3.49Å; T363-Y413 VanDerWaalsContact N-O 3.07Å; T363-Y413 PolarHBondContact OG1-O 2.89Å; A411-Y413 HydrophobicContact CB-CE2 3.69Å
414F86.7Confident73.8Confident72 Ų7287.6 Ų87.632%0.31649%0.485SS..EExtended strand (participates in β ladder)trans-112.2132.9170.6175.1-106000109.5T363 M370 K371 V416T363-F414 WeakPolarHBondContact O-CD2 3.32Å; M370-F414 HydrophobicContact CB-CE2 3.95Å; K371-F414 HydrophobicContact CB-CD1 4.27Å; K371-F414 HydrophobicContact CB-CD2 4.09Å; K371-F414 HydrophobicContact CB-CE1 4.02Å; K371-F414 HydrophobicContact CB-CE2 3.86Å; K371-F414 HydrophobicContact CB-CG 4.3Å; K371-F414 HydrophobicContact CB-CZ 3.82Å; K371-F414 HydrophobicContact CD-CD1 4.41Å; K371-F414 HydrophobicContact CD-CE1 4.28Å; K371-F414 HydrophobicContact CG-CD1 4.06Å; K371-F414 HydrophobicContact CG-CD2 4.49Å; K371-F414 HydrophobicContact CG-CE1 4.17Å; K371-F414 HydrophobicContact CG-CG 4.23Å; K371-F414 HydrophobicContact CG-CZ 4.47Å; F414-V416 HydrophobicContact CD1-CG2 4.39Å; F414-V416 HydrophobicContact CE1-CG2 3.58Å; F414-V416 HydrophobicContact CZ-CG2 4.15Å
415Q85.1Confident71.9Confident87 Ų8786.8 Ų86.841%0.40748%0.484SS..EExtended strand (participates in β ladder)trans-126.6132.2177.7-66.8179.8-15.900110.5I362 T363 Q364 G365I362-Q415 HydrophobicContact CG2-CB 4.48Å; I362-Q415 HydrophobicContact CG2-CG 4Å; T363-Q415 PolarHBondContact O-N 3.45Å; Q364-Q415 WeakPolarHBondContact CA-O 3.19Å; Q364-Q415 HydrophobicContact CG-CB 4.25Å; G365-Q415 PolarHBondContact N-O 2.83Å
416V78.7Confident70.7Confident93 Ų9383.8 Ų83.856%0.56448%0.479SS*.EExtended strand (participates in β ladder)trans-86.4127.5177-177.90000108.9F414 Q418F414-V416 HydrophobicContact CD1-CG2 4.39Å; F414-V416 HydrophobicContact CE1-CG2 3.58Å; F414-V416 HydrophobicContact CZ-CG2 4.15Å; V416-Q418 PolarHBondContact O-N 2.9Å
417N67.5Low70.2Confident47 Ų4783 Ų8325%0.25148%0.475SS..  trans-71121.5169.6-80.9-5.2000109.3
418Q55.2Low70Confident186 Ų18681.8 Ų81.887%0.86946%0.458SS*.  trans-91.76.2176.7-67.6-176.1-100113V416V416-Q418 PolarHBondContact O-N 2.9Å
419S49.4Very low69.9Low60 Ų6081.3 Ų81.342%0.4246%0.455SS..  trans-85.7121.1-178.538.10000112.1C421 E424S419-C421 PolarHBondContact O-N 3.3Å; S419-C421 VanDerWaalsContact O-N 3.16Å; S419-E424 WeakPolarHBondContact CB-OE2 3.49Å; S419-E424 PolarHBondContact OG-OE2 2.82Å
420H43.6Very low69.8Low202 Ų20282.6 Ų82.694%0.93545%0.452SS*.  trans-82.638.3177.6-75.8-67000113.7
421C36Very low69.8Low80 Ų8079.6 Ų79.654%0.54143%0.433SS..  trans-107.4123.4178.3-123.30000111.4S419 S423 E424S419-C421 PolarHBondContact O-N 3.3Å; S419-C421 VanDerWaalsContact O-N 3.16Å; C421-S423 PolarHBondContact O-N 3.01Å; C421-E424 PolarHBondContact O-N 2.91Å; C421-E424 VanDerWaalsContact O-N 3.16Å
422A37.7Very low69.9Low85 Ų8580.9 Ų80.970%0.70244%0.436SS*.G310 helixtrans-63.7-10.9-175.300000114.9
423S42.1Very low70Confident107 Ų10777 Ų7775%0.74842%0.415SS*.G310 helixtrans-85.3-3.7176.357.10000114.3C421C421-S423 PolarHBondContact O-N 3.01Å
424E47.4Very low70.1Confident92 Ų9272.1 Ų72.143%0.4340%0.399SS..G310 helixtrans-110.420.6-178.3-65.9-174.4165.900113.5S419 C421 A426S419-E424 WeakPolarHBondContact CB-OE2 3.49Å; S419-E424 PolarHBondContact OG-OE2 2.82Å; C421-E424 PolarHBondContact O-N 2.91Å; C421-E424 VanDerWaalsContact O-N 3.16Å; E424-A426 PolarHBondContact O-N 2.83Å
425E52.2Low70.2Confident156 Ų15668.7 Ų68.773%0.72938%0.384SS*.  trans-68-17.3176.7-73.2-175.416700113.5G427E425-G427 PolarHBondContact O-N 3.35Å
426A63.4Low70.3Confident49 Ų4969.6 Ų69.641%0.40539%0.391SS..SBendtrans-78.3114.7176.400000110.6E424 V428E424-A426 PolarHBondContact O-N 2.83Å; A426-V428 PolarHBondContact O-N 2.86Å
427G79.2Confident70.6Confident14 Ų1468.6 Ų68.614%0.14440%0.4CS..  trans-54137.9175.800000112.5Q364 E425 S445Q364-G427 CarbonylContact O-C 3.54Å; Q364-G427 WeakPolarHBondContact O-CA 3.07Å; E425-G427 PolarHBondContact O-N 3.35Å; G427-S445 VanDerWaalsContact O-CB 3.28Å; G427-S445 WeakPolarHBondContact O-CB 3.31Å
428V87.7Confident71.6Confident28 Ų2873.1 Ų73.117%0.1741%0.414CS..EExtended strand (participates in β ladder)trans-109.7129.1178.2177.40000108.8Q364 A426 K430 L454Q364-V428 WeakPolarHBondContact CA-O 3.45Å; Q364-V428 HydrophobicContact CB-CB 4.46Å; Q364-V428 WeakPolarHBondContact CB-O 3.46Å; Q364-V428 PolarHBondContact N-O 2.81Å; Q364-V428 PolarHBondContact O-N 2.88Å; A426-V428 PolarHBondContact O-N 2.86Å; V428-K430 HydrophobicContact CG1-CG 4.2Å; V428-L454 HydrophobicContact CG1-CD1 4.3Å; V428-L454 HydrophobicContact CG2-CD1 4.25Å
429C91.4Very high73.3Confident1 Ų166.9 Ų66.91%0.00739%0.39CS..EExtended strand (participates in β ladder)trans-105.1129.2171.7-66.30000109.5L338 F377 S443 G444L338-C429 HydrophobicContact CD2-CB 4.34Å; F377-C429 HydrophobicContact CD1-CB 4.39Å; F377-C429 HydrophobicContact CE1-CB 3.54Å; F377-C429 HydrophobicContact CE2-CB 3.79Å; F377-C429 HydrophobicContact CZ-CB 3.19Å; C429-S443 CarbonylContact O-C 3.55Å; C429-S443 VanDerWaalsContact O-CA 3.31Å; C429-S443 WeakPolarHBondContact O-CA 3.38Å; C429-G444 PolarHBondContact N-O 3.47Å; C429-G444 PolarHBondContact O-N 3.15Å
430K93.9Very high75.5Confident76 Ų7664.8 Ų64.833%0.3337%0.374SS..EExtended strand (participates in β ladder)trans-114.8135.4174.2-58.6178.4173.9163.30109I362 V428 A442I362-K430 HydrophobicContact CB-CB 4.24Å; I362-K430 PolarHBondContact N-O 2.84Å; I362-K430 PolarHBondContact O-N 2.81Å; V428-K430 HydrophobicContact CG1-CG 4.2Å; K430-A442 WeakPolarHBondContact CA-O 3.35Å
431V94.6Very high77.9Confident2 Ų259.6 Ų59.61%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-127.9129.1178.9-1770000107.7V342 L346 H360 F377 V381 V433 K441 A442V342-V431 HydrophobicContact CG1-CB 3.95Å; V342-V431 HydrophobicContact CG1-CG2 3.73Å; L346-V431 HydrophobicContact CD1-CB 3.83Å; L346-V431 HydrophobicContact CD1-CG1 3.42Å; L346-V431 VanDerWaalsContact CD1-CG1 3.42Å; H360-V431 WeakPolarHBondContact O-CA 3.44Å; F377-V431 HydrophobicContact CE1-CG2 4.01Å; F377-V431 HydrophobicContact CZ-CG2 4.31Å; V381-V431 HydrophobicContact CG1-CG1 3.64Å; V381-V431 HydrophobicContact CG1-CG2 4.18Å; V381-V431 HydrophobicContact CG2-CG2 3.77Å; V431-V433 HydrophobicContact CG1-CG1 4.18Å; V431-K441 CarbonylContact O-C 3.58Å; V431-K441 WeakPolarHBondContact O-CA 3.47Å; V431-A442 PolarHBondContact N-O 3.32Å; V431-A442 PolarHBondContact O-N 3.33Å
432E94.7Very high80.8Confident50 Ų5056 Ų5623%0.23432%0.324CS..EExtended strand (participates in β ladder)trans-119.7126.7169.9169.9172.4-147.900108.5A359 H360 S439 Y440 K441A359-E432 CarbonylContact C-O 3.51Å; A359-E432 WeakPolarHBondContact CA-O 3.38Å; H360-E432 HydrophobicContact CB-CB 4.23Å; H360-E432 PolarHBondContact N-O 3.47Å; H360-E432 IonicContact ND1-OE2 3.94Å; H360-E432 PolarHBondContact O-N 3.46Å; E432-S439 WeakPolarHBondContact CG-OG 3.28Å; E432-S439 WeakPolarHBondContact OE1-CB 3.22Å; E432-S439 PolarHBondContact OE1-OG 3.16Å; E432-Y440 CarbonylContact C-O 3.53Å; E432-Y440 WeakPolarHBondContact CA-O 3.37Å; E432-K441 HydrophobicContact CB-CG 4.06Å; E432-K441 HydrophobicContact CG-CG 4.07Å; E432-K441 WeakPolarHBondContact OE1-CE 3.14Å; E432-K441 IonicContact OE1-NZ 3.47Å; E432-K441 PolarHBondContact OE1-NZ 3.07Å; E432-K441 IonicContact OE2-NZ 3.92Å
433V93.7Very high83.6Confident0 Ų052.3 Ų52.30%029%0.293CS..EExtended strand (participates in β ladder)trans-120.1146.4172.9-62.80000110.2L346 F356 H358 A359 L385 V431 Y440L346-V433 HydrophobicContact CB-CG2 4.08Å; L346-V433 HydrophobicContact CD1-CG1 4.14Å; L346-V433 HydrophobicContact CD1-CG2 4.15Å; L346-V433 HydrophobicContact CD2-CG2 4.26Å; L346-V433 HydrophobicContact CG-CG2 4.41Å; F356-V433 HydrophobicContact CD1-CB 3.78Å; F356-V433 HydrophobicContact CD1-CG2 3.74Å; F356-V433 HydrophobicContact CE1-CB 4.05Å; F356-V433 HydrophobicContact CE1-CG2 3.47Å; F356-V433 VanDerWaalsContact CE1-CG2 3.47Å; F356-V433 HydrophobicContact CZ-CG2 4.29Å; H358-V433 VanDerWaalsContact O-CA 3.29Å; H358-V433 WeakPolarHBondContact O-CA 3.4Å; A359-V433 HydrophobicContact CB-CG1 4.18Å; L385-V433 HydrophobicContact CD1-CG1 3.72Å; L385-V433 HydrophobicContact CD2-CG1 4.12Å; V431-V433 HydrophobicContact CG1-CG1 4.18Å; V433-Y440 PolarHBondContact N-O 3.49Å; V433-Y440 PolarHBondContact O-N 2.94Å
434V91.3Very high86.1Confident27 Ų2747.2 Ų47.216%0.16426%0.257CS..EExtended strand (participates in β ladder)trans-115.3125.9179.3-1770000109.6F356 S357 H358 R438F356-V434 CarbonylContact C-O 3.57Å; F356-V434 VanDerWaalsContact CA-O 3.29Å; F356-V434 WeakPolarHBondContact CA-O 3.37Å; S357-V434 PolarHBondContact N-O 3.28Å; S357-V434 PolarHBondContact OG-O 2.88Å; H358-V434 HydrophobicContact CB-CB 4.09Å; H358-V434 HydrophobicContact CB-CG2 4.13Å; H358-V434 PolarHBondContact O-N 3.01Å; V434-R438 VanDerWaalsContact CA-O 3.29Å; V434-R438 WeakPolarHBondContact CA-O 3.45Å
435A89.2Confident88.3Confident0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-132.2131.3170.600000109.2F356 G437 R438 Y440F356-A435 HydrophobicContact CD1-CB 3.73Å; F356-A435 HydrophobicContact CE1-CB 4.01Å; A435-G437 PolarHBondContact O-N 3.28Å; A435-R438 PolarHBondContact N-O 3.05Å; A435-R438 WeakPolarHBondContact O-CB 3.41Å; A435-R438 PolarHBondContact O-N 3.04Å; A435-Y440 HydrophobicContact CB-CE2 4.18Å
436D86.8Confident90.3Very high106 Ų10636.9 Ų36.957%0.56721%0.211SC*.THydrogen-bonded Turntrans5239.1179.6-161.735.8000113.8K354 R438K354-D436 HydrophobicContact CB-CB 4.1Å; K354-D436 HydrophobicContact CG-CB 4.06Å; D436-R438 PolarHBondContact O-N 3.16Å; D436-R438 VanDerWaalsContact O-N 3.14Å
437G85.4Confident91.6Very high72 Ų7238.5 Ų38.574%0.74221%0.211SC*.THydrogen-bonded Turntrans711.3-176.800000115.3A435A435-G437 PolarHBondContact O-N 3.28Å
438R88.6Confident91.9Very high143 Ų14342.2 Ų42.254%0.5425%0.249SC..EExtended strand (participates in β ladder)trans-97136175.8-60.1-178.8-175.4-178.61.6110.6V434 A435 D436 Y440V434-R438 VanDerWaalsContact CA-O 3.29Å; V434-R438 WeakPolarHBondContact CA-O 3.45Å; A435-R438 PolarHBondContact N-O 3.05Å; A435-R438 WeakPolarHBondContact O-CB 3.41Å; A435-R438 PolarHBondContact O-N 3.04Å; D436-R438 PolarHBondContact O-N 3.16Å; D436-R438 VanDerWaalsContact O-N 3.14Å; R438-Y440 HydrophobicContact CB-CE2 3.91Å
439S92Very high91.8Very high54 Ų5442.1 Ų42.138%0.37825%0.253SS..EExtended strand (participates in β ladder)trans-92.8132.2176172.20000110.6E432 K441E432-S439 WeakPolarHBondContact CG-OG 3.28Å; E432-S439 WeakPolarHBondContact OE1-CB 3.22Å; E432-S439 PolarHBondContact OE1-OG 3.16Å; S439-K441 VanDerWaalsContact OG-CE 3.28Å; S439-K441 WeakPolarHBondContact OG-CE 3.33Å
440Y94Very high91.8Very high17 Ų1744.7 Ų44.77%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-119.2127.8172.1-59.4-95.3000107.8C349 N350 S352 E432 V433 A435 R438C349-Y440 WeakPolarHBondContact O-CE1 3.02Å; N350-Y440 PolarHBondContact OD1-OH 2.82Å; S352-Y440 PolarHBondContact N-OH 2.83Å; E432-Y440 CarbonylContact C-O 3.53Å; E432-Y440 WeakPolarHBondContact CA-O 3.37Å; V433-Y440 PolarHBondContact N-O 3.49Å; V433-Y440 PolarHBondContact O-N 2.94Å; A435-Y440 HydrophobicContact CB-CE2 4.18Å; R438-Y440 HydrophobicContact CB-CE2 3.91Å
441K95.8Very high91.8Very high93 Ų9341.5 Ų41.540%0.40426%0.256SS..EExtended strand (participates in β ladder)trans-121.7143.5-173.9-62.1-176.6177.4-1760110.4V431 E432 S439 L456 S457V431-K441 CarbonylContact O-C 3.58Å; V431-K441 WeakPolarHBondContact O-CA 3.47Å; E432-K441 HydrophobicContact CB-CG 4.06Å; E432-K441 HydrophobicContact CG-CG 4.07Å; E432-K441 WeakPolarHBondContact OE1-CE 3.14Å; E432-K441 IonicContact OE1-NZ 3.47Å; E432-K441 PolarHBondContact OE1-NZ 3.07Å; E432-K441 IonicContact OE2-NZ 3.92Å; S439-K441 VanDerWaalsContact OG-CE 3.28Å; S439-K441 WeakPolarHBondContact OG-CE 3.33Å; K441-L456 CarbonylContact O-C 3.54Å; K441-L456 WeakPolarHBondContact O-CA 3.31Å; K441-S457 PolarHBondContact N-OG 2.84Å; K441-S457 PolarHBondContact O-N 3.36Å
442A96.9Very high91.9Very high3 Ų341.9 Ų41.93%0.02526%0.258CS..EExtended strand (participates in β ladder)trans-139.6141.3170.100000109.2V342 L346 K430 V431 L453 E455 L456V342-A442 HydrophobicContact CG1-CB 3.75Å; L346-A442 HydrophobicContact CD1-CB 4.11Å; L346-A442 HydrophobicContact CD2-CB 3.77Å; L346-A442 HydrophobicContact CG-CB 3.89Å; K430-A442 WeakPolarHBondContact CA-O 3.35Å; V431-A442 PolarHBondContact N-O 3.32Å; V431-A442 PolarHBondContact O-N 3.33Å; A442-L453 HydrophobicContact CB-CD1 3.97Å; A442-E455 VanDerWaalsContact CA-O 3.29Å; A442-E455 WeakPolarHBondContact CA-O 3.31Å; A442-L456 HydrophobicContact CB-CD1 4.38Å
443S95.6Very high92Very high8 Ų839.5 Ų39.56%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-123.5141.9167.8740000110C429 L453 L454 E455C429-S443 CarbonylContact O-C 3.55Å; C429-S443 VanDerWaalsContact O-CA 3.31Å; C429-S443 WeakPolarHBondContact O-CA 3.38Å; S443-L453 WeakPolarHBondContact O-CD1 3.29Å; S443-L454 PolarHBondContact O-N 2.82Å; S443-E455 PolarHBondContact N-O 2.93Å; S443-E455 PolarHBondContact O-N 3.43Å; S443-E455 WeakPolarHBondContact OG-CB 3.32Å; S443-E455 PolarHBondContact OG-N 3.27Å
444G94.8Very high92.1Very high0 Ų041.2 Ų41.20%026%0.256CS..EExtended strand (participates in β ladder)trans-150.8164.2-177.800000112.1C429 V452C429-G444 PolarHBondContact N-O 3.47Å; C429-G444 PolarHBondContact O-N 3.15Å; G444-V452 CarbonylContact C-O 3.43Å; G444-V452 WeakPolarHBondContact CA-O 3.35Å
445S94.4Very high92.3Very high3 Ų342.2 Ų42.22%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-145.6174.8174.266.80000110.7G427 Q447 V452G427-S445 VanDerWaalsContact O-CB 3.28Å; G427-S445 WeakPolarHBondContact O-CB 3.31Å; S445-Q447 PolarHBondContact OG-NE2 2.83Å; S445-V452 PolarHBondContact N-O 2.9Å; S445-V452 WeakPolarHBondContact O-CG2 3.23Å; S445-V452 PolarHBondContact O-N 2.95Å
446V92.1Very high92.6Very high28 Ų2842.2 Ų42.217%0.1726%0.259CS..EExtended strand (participates in β ladder)trans-103.8119.1170.9179.20000107.8Q334 L335 L338 V450Q334-V446 HydrophobicContact CB-CB 4.49Å; Q334-V446 HydrophobicContact CB-CG1 3.81Å; Q334-V446 HydrophobicContact CB-CG2 3.92Å; Q334-V446 HydrophobicContact CG-CG1 4.19Å; L335-V446 HydrophobicContact CD2-CG2 4.15Å; L338-V446 HydrophobicContact CB-CG2 4.34Å; L338-V446 HydrophobicContact CD2-CG2 4.17Å; V446-V450 WeakPolarHBondContact CA-O 3.49Å
447Q90.9Very high92.9Very high84 Ų8439.2 Ų39.239%0.39325%0.246SC..EExtended strand (participates in β ladder)trans-122.7124.7179.1-64.1-173.422.100109.9S445 G449 V450 V452S445-Q447 PolarHBondContact OG-NE2 2.83Å; Q447-G449 PolarHBondContact O-N 3.46Å; Q447-V450 PolarHBondContact N-O 3.36Å; Q447-V450 PolarHBondContact O-N 3.04Å; Q447-V452 HydrophobicContact CB-CG1 4.42Å; Q447-V452 HydrophobicContact CB-CG2 4.21Å; Q447-V452 HydrophobicContact CG-CG2 3.73Å
448G86.5Confident93.1Very high92 Ų9238.3 Ų38.395%0.94824%0.237SC*.THydrogen-bonded Turntrans57.723.3-176.300000114V450G448-V450 VanDerWaalsContact C-N 3.32Å
449G86Confident93.3Very high25 Ų2531.8 Ų31.826%0.25821%0.213SC..THydrogen-bonded Turntrans822.6-17500000115.7Q334 Q447Q334-G449 VanDerWaalsContact NE2-CA 3.28Å; Q447-G449 PolarHBondContact O-N 3.46Å
450V90.6Very high93.4Very high55 Ų5532.6 Ų32.633%0.33322%0.216SC..EExtended strand (participates in β ladder)trans-102.3129.7177.8-177.40000109.5V446 Q447 G448 V452 S466 T468V446-V450 WeakPolarHBondContact CA-O 3.49Å; Q447-V450 PolarHBondContact N-O 3.36Å; Q447-V450 PolarHBondContact O-N 3.04Å; G448-V450 VanDerWaalsContact C-N 3.32Å; V450-V452 HydrophobicContact CG1-CG1 4.48Å; V450-V452 PolarHBondContact O-N 3.45Å; V450-S466 WeakPolarHBondContact CG1-OG 3.33Å; V450-T468 HydrophobicContact CG1-CG2 4.08Å
451P94.3Very high93.4Very high9 Ų932.3 Ų32.36%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-64.6129.9169.8-20.433.4000111R337 L338 L467R337-P451 HydrophobicContact CB-CG 3.88Å; L338-P451 HydrophobicContact CB-CB 4.01Å; L338-P451 HydrophobicContact CD1-CB 3.92Å; P451-L467 HydrophobicContact CB-CB 4.28Å; P451-L467 WeakPolarHBondContact O-CB 3.29Å; P451-L467 PolarHBondContact O-N 2.82Å
452V96Very high93Very high10 Ų1035.3 Ų35.36%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-129.9145178.9-58.90000111.6G444 S445 Q447 V450 L454 P464 V465G444-V452 CarbonylContact C-O 3.43Å; G444-V452 WeakPolarHBondContact CA-O 3.35Å; S445-V452 PolarHBondContact N-O 2.9Å; S445-V452 WeakPolarHBondContact O-CG2 3.23Å; S445-V452 PolarHBondContact O-N 2.95Å; Q447-V452 HydrophobicContact CB-CG1 4.42Å; Q447-V452 HydrophobicContact CB-CG2 4.21Å; Q447-V452 HydrophobicContact CG-CG2 3.73Å; V450-V452 HydrophobicContact CG1-CG1 4.48Å; V450-V452 PolarHBondContact O-N 3.45Å; V452-L454 HydrophobicContact CG2-CD2 4.19Å; V452-P464 HydrophobicContact CB-CB 3.75Å; V452-P464 HydrophobicContact CG1-CB 4.23Å; V452-P464 HydrophobicContact CG2-CB 3.74Å; V452-V465 CarbonylContact C-O 3.58Å; V452-V465 WeakPolarHBondContact CA-O 3.37Å
453L97.1Very high92.7Very high0 Ų041.5 Ų41.50%025%0.252CS..EExtended strand (participates in β ladder)trans-93.7127.3172-172.875.6000109.4V345 A442 S443 E455 L456 F461 P464 V465 L467 F473V345-L453 HydrophobicContact CG1-CD2 4.24Å; A442-L453 HydrophobicContact CB-CD1 3.97Å; S443-L453 WeakPolarHBondContact O-CD1 3.29Å; L453-E455 WeakPolarHBondContact CD1-O 3.27Å; L453-L456 HydrophobicContact CD2-CB 4.27Å; L453-F461 HydrophobicContact CD2-CD2 4.47Å; L453-F461 HydrophobicContact CD2-CE2 3.72Å; L453-F461 HydrophobicContact CD2-CZ 4.44Å; L453-F461 HydrophobicContact CG-CE2 4.17Å; L453-P464 WeakPolarHBondContact O-CA 3.48Å; L453-V465 HydrophobicContact CB-CB 4.17Å; L453-V465 PolarHBondContact N-O 2.88Å; L453-V465 PolarHBondContact O-N 2.82Å; L453-L467 HydrophobicContact CB-CD1 4.07Å; L453-L467 HydrophobicContact CB-CD2 3.91Å; L453-L467 HydrophobicContact CB-CG 4.01Å; L453-F473 HydrophobicContact CD2-CE1 3.73Å; L453-F473 HydrophobicContact CD2-CZ 4.23Å
454L95.8Very high92.5Very high37 Ų3743.2 Ų43.219%0.19426%0.263CS..EExtended strand (participates in β ladder)trans-99.2-35.6-179.5-57176.1000111.5V428 S443 V452 F461 P464V428-L454 HydrophobicContact CG1-CD1 4.3Å; V428-L454 HydrophobicContact CG2-CD1 4.25Å; S443-L454 PolarHBondContact O-N 2.82Å; V452-L454 HydrophobicContact CG2-CD2 4.19Å; L454-F461 PolarHBondContact O-N 2.92Å; L454-P464 HydrophobicContact CD2-CB 3.86Å; L454-P464 HydrophobicContact CD2-CG 3.8Å
455E95.4Very high92.6Very high48 Ų4843.4 Ų43.422%0.22426%0.264CS..EExtended strand (participates in β ladder)trans-147.1145.2-177.9-170.5-166.4149.100111.3A442 S443 L453 G458 S459 V460A442-E455 VanDerWaalsContact CA-O 3.29Å; A442-E455 WeakPolarHBondContact CA-O 3.31Å; S443-E455 PolarHBondContact N-O 2.93Å; S443-E455 PolarHBondContact O-N 3.43Å; S443-E455 WeakPolarHBondContact OG-CB 3.32Å; S443-E455 PolarHBondContact OG-N 3.27Å; L453-E455 WeakPolarHBondContact CD1-O 3.27Å; E455-G458 WeakPolarHBondContact OE1-CA 3.44Å; E455-G458 PolarHBondContact OE1-N 3.4Å; E455-S459 VanDerWaalsContact CA-O 3.32Å; E455-S459 WeakPolarHBondContact CA-O 3.39Å; E455-V460 HydrophobicContact CB-CG2 4.39Å; E455-V460 HydrophobicContact CG-CG2 3.84Å
456L96Very high92.6Very high0 Ų045.6 Ų45.60%028%0.279CS..EExtended strand (participates in β ladder)trans-133114.7167.7-176.462.5000110.9V345 L346 C349 K441 A442 L453 G458 S459 F461 F473 W511V345-L456 HydrophobicContact CG1-CD1 3.91Å; V345-L456 HydrophobicContact CG1-CD2 4.24Å; L346-L456 HydrophobicContact CD2-CD1 4.37Å; C349-L456 HydrophobicContact CB-CD2 4.5Å; K441-L456 CarbonylContact O-C 3.54Å; K441-L456 WeakPolarHBondContact O-CA 3.31Å; A442-L456 HydrophobicContact CB-CD1 4.38Å; L453-L456 HydrophobicContact CD2-CB 4.27Å; L456-G458 VanDerWaalsContact C-N 3.33Å; L456-G458 PolarHBondContact O-N 3.11Å; L456-S459 PolarHBondContact N-O 2.91Å; L456-S459 WeakPolarHBondContact O-CA 3.29Å; L456-S459 WeakPolarHBondContact O-CB 3.3Å; L456-S459 PolarHBondContact O-N 3.27Å; L456-S459 PolarHBondContact O-OG 3.44Å; L456-F461 HydrophobicContact CB-CE2 3.99Å; L456-F461 HydrophobicContact CB-CZ 4.3Å; L456-F473 HydrophobicContact CD2-CD1 3.62Å; L456-F473 HydrophobicContact CD2-CE1 4.09Å; L456-F473 HydrophobicContact CD2-CG 4.46Å; L456-W511 HydrophobicContact CB-CB 4.4Å; L456-W511 HydrophobicContact CB-CG 4.48Å; L456-W511 HydrophobicContact CD2-CB 4.02Å; L456-W511 HydrophobicContact CD2-CD2 3.74Å; L456-W511 HydrophobicContact CD2-CE3 4.05Å; L456-W511 HydrophobicContact CD2-CG 3.73Å; L456-W511 HydrophobicContact CG-CB 4.42Å; L456-W511 HydrophobicContact CG-CD2 4.37Å; L456-W511 HydrophobicContact CG-CG 4.04Å
457S92.8Very high92.8Very high42 Ų4244.3 Ų44.329%0.29427%0.272SS..THydrogen-bonded Turntrans4750.5175.7-63.80000113.2K441 S459K441-S457 PolarHBondContact N-OG 2.84Å; K441-S457 PolarHBondContact O-N 3.36Å; S457-S459 VanDerWaalsContact C-N 3.31Å; S457-S459 PolarHBondContact O-N 2.96Å
458G89.8Confident92.9Very high54 Ų5443.7 Ų43.756%0.55727%0.274SS*.THydrogen-bonded Turntrans86.2-10-177.900000115E455 L456 V460E455-G458 WeakPolarHBondContact OE1-CA 3.44Å; E455-G458 PolarHBondContact OE1-N 3.4Å; L456-G458 VanDerWaalsContact C-N 3.33Å; L456-G458 PolarHBondContact O-N 3.11Å; G458-V460 PolarHBondContact O-N 2.98Å
459S93.1Very high93.2Very high5 Ų540.8 Ų40.84%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-87.594.5176.3-54.40000110.1E455 L456 S457 V510 W511E455-S459 VanDerWaalsContact CA-O 3.32Å; E455-S459 WeakPolarHBondContact CA-O 3.39Å; L456-S459 PolarHBondContact N-O 2.91Å; L456-S459 WeakPolarHBondContact O-CA 3.29Å; L456-S459 WeakPolarHBondContact O-CB 3.3Å; L456-S459 PolarHBondContact O-N 3.27Å; L456-S459 PolarHBondContact O-OG 3.44Å; S457-S459 VanDerWaalsContact C-N 3.31Å; S457-S459 PolarHBondContact O-N 2.96Å; S459-V510 WeakPolarHBondContact OG-CA 3.35Å; S459-W511 PolarHBondContact OG-N 2.9Å
460V94.4Very high93.7Very high71 Ų7141.3 Ų41.343%0.4324%0.241SC..EExtended strand (participates in β ladder)trans-78.7120.4177-179.20000109.3E455 G458 P503 V504E455-V460 HydrophobicContact CB-CG2 4.39Å; E455-V460 HydrophobicContact CG-CG2 3.84Å; G458-V460 PolarHBondContact O-N 2.98Å; V460-P503 CarbonylContact O-C 3.4Å; V460-P503 WeakPolarHBondContact O-CA 3.41Å; V460-P503 WeakPolarHBondContact O-CB 3.48Å; V460-V504 PolarHBondContact O-N 3.33Å
461F93Very high94Very high12 Ų1238.9 Ų38.95%0.05323%0.226CC..EExtended strand (participates in β ladder)trans-77.1135-177.4-65.5-76.9000111.9L453 L454 L456 Q463 V465 W511 C513L453-F461 HydrophobicContact CD2-CD2 4.47Å; L453-F461 HydrophobicContact CD2-CE2 3.72Å; L453-F461 HydrophobicContact CD2-CZ 4.44Å; L453-F461 HydrophobicContact CG-CE2 4.17Å; L454-F461 PolarHBondContact O-N 2.92Å; L456-F461 HydrophobicContact CB-CE2 3.99Å; L456-F461 HydrophobicContact CB-CZ 4.3Å; F461-Q463 VanDerWaalsContact C-N 3.25Å; F461-Q463 WeakPolarHBondContact CB-O 3.46Å; F461-Q463 PolarHBondContact O-N 2.97Å; F461-V465 HydrophobicContact CB-CG2 4.21Å; F461-V465 HydrophobicContact CD1-CG2 3.78Å; F461-V465 HydrophobicContact CD2-CG2 3.87Å; F461-V465 HydrophobicContact CE1-CG2 4.07Å; F461-V465 HydrophobicContact CE2-CG2 4.17Å; F461-V465 HydrophobicContact CG-CG2 3.67Å; F461-V465 HydrophobicContact CZ-CG2 4.26Å; F461-W511 WeakPolarHBondContact CE1-O 3.48Å; F461-W511 HydrophobicContact CZ-CB 4.47Å; F461-C513 HydrophobicContact CE1-CB 4.22Å; F461-C513 HydrophobicContact CZ-CB 4.44Å
462R87.7Confident94.1Very high155 Ų15538.5 Ų38.559%0.58522%0.223SC*.EExtended strand (participates in β ladder)trans-63.3-35.3178-177.2-179.9-65.3-85.6-2.1112.2A502 V504R462-A502 PolarHBondContact N-O 2.84Å; R462-A502 VanDerWaalsContact N-O 3.12Å; R462-V504 HydrophobicContact CB-CG2 4.03Å
463Q89.4Confident94.2Very high133 Ų13338 Ų3862%0.62122%0.22SC*.EExtended strand (participates in β ladder)trans-122.1130.6171.7-66.4-61.8-33.500107.3F461 V465F461-Q463 VanDerWaalsContact C-N 3.25Å; F461-Q463 WeakPolarHBondContact CB-O 3.46Å; F461-Q463 PolarHBondContact O-N 2.97Å; Q463-V465 PolarHBondContact O-N 3.46Å
464P92.7Very high94.1Very high44 Ų4438 Ų3829%0.28622%0.221SC..EExtended strand (participates in β ladder)trans-51.4130.6175-26.634.6000111.2V452 L453 L454V452-P464 HydrophobicContact CB-CB 3.75Å; V452-P464 HydrophobicContact CG1-CB 4.23Å; V452-P464 HydrophobicContact CG2-CB 3.74Å; L453-P464 WeakPolarHBondContact O-CA 3.48Å; L454-P464 HydrophobicContact CD2-CB 3.86Å; L454-P464 HydrophobicContact CD2-CG 3.8Å
465V95.5Very high94Very high4 Ų437.9 Ų37.92%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-81.9119.81801770000108.5V452 L453 F461 Q463 L467 C513V452-V465 CarbonylContact C-O 3.58Å; V452-V465 WeakPolarHBondContact CA-O 3.37Å; L453-V465 HydrophobicContact CB-CB 4.17Å; L453-V465 PolarHBondContact N-O 2.88Å; L453-V465 PolarHBondContact O-N 2.82Å; F461-V465 HydrophobicContact CB-CG2 4.21Å; F461-V465 HydrophobicContact CD1-CG2 3.78Å; F461-V465 HydrophobicContact CD2-CG2 3.87Å; F461-V465 HydrophobicContact CE1-CG2 4.07Å; F461-V465 HydrophobicContact CE2-CG2 4.17Å; F461-V465 HydrophobicContact CG-CG2 3.67Å; F461-V465 HydrophobicContact CZ-CG2 4.26Å; Q463-V465 PolarHBondContact O-N 3.46Å; V465-L467 PolarHBondContact O-N 2.99Å; V465-C513 HydrophobicContact CG1-CB 3.97Å; V465-C513 VanDerWaalsContact CG1-SG 3.5Å; V465-C513 HydrophobicContact CG2-CB 3.95Å
466S95.6Very high93.9Very high49 Ų4935.9 Ų35.934%0.34321%0.211SC..EExtended strand (participates in β ladder)trans-62.2121.6172.2-170.80000110.1V450 T468V450-S466 WeakPolarHBondContact CG1-OG 3.33Å; S466-T468 VanDerWaalsContact C-N 3.26Å; S466-T468 PolarHBondContact O-N 2.83Å; S466-T468 VanDerWaalsContact O-N 3.1Å; S466-T468 PolarHBondContact OG-OG1 2.86Å
467L95.5Very high93.7Very high2 Ų239.1 Ų39.11%0.0123%0.233CC..  trans-87.269.4177.2-69.1174.3000109.7L338 A341 V342 V345 P451 L453 V465 L471 I538L338-L467 HydrophobicContact CD1-CD1 4.14Å; A341-L467 HydrophobicContact CB-CB 3.91Å; A341-L467 HydrophobicContact CB-CD1 3.77Å; A341-L467 HydrophobicContact CB-CG 4.35Å; V342-L467 HydrophobicContact CG2-CD1 4.14Å; V345-L467 HydrophobicContact CG2-CD2 3.77Å; P451-L467 HydrophobicContact CB-CB 4.28Å; P451-L467 WeakPolarHBondContact O-CB 3.29Å; P451-L467 PolarHBondContact O-N 2.82Å; L453-L467 HydrophobicContact CB-CD1 4.07Å; L453-L467 HydrophobicContact CB-CD2 3.91Å; L453-L467 HydrophobicContact CB-CG 4.01Å; V465-L467 PolarHBondContact O-N 2.99Å; L467-L471 HydrophobicContact CD2-CD1 4.08Å; L467-I538 HydrophobicContact CB-CD1 3.74Å; L467-I538 HydrophobicContact CD2-CD1 3.73Å; L467-I538 HydrophobicContact CG-CD1 4.33Å; L467-I538 VanDerWaalsContact O-CG2 3.3Å; L467-I538 WeakPolarHBondContact O-CG2 3.48Å
468T92.8Very high93.2Very high70 Ų7039.5 Ų39.543%0.42924%0.239SC..  trans-149140.9-176.854.20000110.3V450 S466V450-T468 HydrophobicContact CG1-CG2 4.08Å; S466-T468 VanDerWaalsContact C-N 3.26Å; S466-T468 PolarHBondContact O-N 2.83Å; S466-T468 VanDerWaalsContact O-N 3.1Å; S466-T468 PolarHBondContact OG-OG1 2.86Å
469G94Very high93Very high32 Ų3241 Ų4133%0.3323%0.234SC..SBendtrans78-154.6175.100000112.5S537 I538G469-S537 WeakPolarHBondContact O-CA 3.3Å; G469-I538 PolarHBondContact N-O 2.91Å; G469-I538 PolarHBondContact O-N 2.93Å
470N96.8Very high92.7Very high36 Ų3646.3 Ų46.319%0.19327%0.269CS..EExtended strand (participates in β ladder)trans-93.2124.2-178.2-51.5-65000110.7V516 S517 L519 S537N470-V516 HydrophobicContact CB-CG2 3.86Å; N470-V516 WeakPolarHBondContact CB-O 3.12Å; N470-V516 PolarHBondContact O-N 2.87Å; N470-S517 PolarHBondContact ND2-O 3.31Å; N470-L519 HydrophobicContact CB-CD2 3.81Å; N470-L519 HydrophobicContact CB-CG 4.24Å; N470-S537 PolarHBondContact OD1-OG 2.75Å
471L97.1Very high92.5Very high4 Ų448.5 Ų48.52%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-123.4134.6-176.4-59.4177.6000110.9L467 F473 Q535 L536 I538L467-L471 HydrophobicContact CD2-CD1 4.08Å; L471-F473 HydrophobicContact CB-CD2 4.39Å; L471-F473 HydrophobicContact CB-CE2 3.7Å; L471-F473 HydrophobicContact CB-CZ 4.36Å; L471-F473 HydrophobicContact CD1-CE2 4.17Å; L471-F473 HydrophobicContact CD1-CZ 4.16Å; L471-Q535 VanDerWaalsContact O-CA 3.29Å; L471-Q535 WeakPolarHBondContact O-CA 3.42Å; L471-L536 PolarHBondContact N-O 3.04Å; L471-L536 PolarHBondContact O-N 2.64Å; L471-I538 HydrophobicContact CD1-CD1 3.78Å
472L96.6Very high92.4Very high0 Ų048.5 Ų48.50%028%0.275CS..EExtended strand (participates in β ladder)trans-104.5129167.5-66.1172.3000109.7L490 C513 V514 V516 L520 L523 L526 A534 Q535L472-L490 HydrophobicContact CD1-CD1 4.11Å; L472-L490 HydrophobicContact CD1-CD2 3.63Å; L472-L490 HydrophobicContact CD1-CG 4.49Å; L472-C513 CarbonylContact O-C 3.48Å; L472-C513 VanDerWaalsContact O-CA 3.31Å; L472-C513 WeakPolarHBondContact O-CA 3.32Å; L472-V514 HydrophobicContact CB-CB 4.19Å; L472-V514 PolarHBondContact N-O 3.18Å; L472-V514 PolarHBondContact O-N 2.88Å; L472-V516 HydrophobicContact CD1-CG1 3.67Å; L472-V516 HydrophobicContact CD1-CG2 4.29Å; L472-V516 HydrophobicContact CG-CG1 4.22Å; L472-V516 HydrophobicContact CG-CG2 4.12Å; L472-L520 HydrophobicContact CD1-CD1 4.38Å; L472-L520 HydrophobicContact CD2-CD1 4.48Å; L472-L523 HydrophobicContact CD2-CD2 4.18Å; L472-L526 HydrophobicContact CD1-CD1 4.22Å; L472-A534 WeakPolarHBondContact CA-O 3.16Å; L472-Q535 HydrophobicContact CD2-CB 3.45Å; L472-Q535 VanDerWaalsContact CD2-CB 3.45Å
473F96.4Very high92.6Very high0 Ų044.5 Ų44.50%027%0.265CS..EExtended strand (participates in β ladder)trans-108.8123.8173.7-69.5-91000109.2V345 L453 L456 L471 W511 Y512 C513 V533 A534 L536V345-F473 HydrophobicContact CG1-CE1 4.06Å; V345-F473 HydrophobicContact CG1-CE2 4.44Å; V345-F473 HydrophobicContact CG1-CZ 3.98Å; V345-F473 HydrophobicContact CG2-CE2 4.06Å; V345-F473 HydrophobicContact CG2-CZ 3.78Å; L453-F473 HydrophobicContact CD2-CE1 3.73Å; L453-F473 HydrophobicContact CD2-CZ 4.23Å; L456-F473 HydrophobicContact CD2-CD1 3.62Å; L456-F473 HydrophobicContact CD2-CE1 4.09Å; L456-F473 HydrophobicContact CD2-CG 4.46Å; L471-F473 HydrophobicContact CB-CD2 4.39Å; L471-F473 HydrophobicContact CB-CE2 3.7Å; L471-F473 HydrophobicContact CB-CZ 4.36Å; L471-F473 HydrophobicContact CD1-CE2 4.17Å; L471-F473 HydrophobicContact CD1-CZ 4.16Å; F473-W511 HydrophobicContact CB-CE3 3.84Å; F473-W511 HydrophobicContact CB-CZ3 3.78Å; F473-Y512 WeakPolarHBondContact CA-O 3.43Å; F473-C513 HydrophobicContact CD1-CB 4.28Å; F473-C513 HydrophobicContact CE1-CB 4.11Å; F473-V533 WeakPolarHBondContact O-CA 3.43Å; F473-A534 HydrophobicContact CB-CB 4.34Å; F473-A534 PolarHBondContact N-O 2.94Å; F473-A534 PolarHBondContact O-N 3.48Å; F473-L536 HydrophobicContact CD2-CD2 3.69Å; F473-L536 HydrophobicContact CE2-CD2 3.43Å; F473-L536 VanDerWaalsContact CE2-CD2 3.43Å; F473-L536 HydrophobicContact CE2-CG 4.33Å
474L95.3Very high92.8Very high1 Ų141.8 Ų41.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-122.9118.7-173.1-55.9177.7000109.2V486 W511 Y512 V514 L526 V530 V533L474-V486 HydrophobicContact CD1-CB 4.48Å; L474-V486 HydrophobicContact CD1-CG1 3.84Å; L474-V486 HydrophobicContact CD1-CG2 3.85Å; L474-W511 CarbonylContact O-C 3.46Å; L474-W511 WeakPolarHBondContact O-CA 3.48Å; L474-Y512 PolarHBondContact N-O 2.79Å; L474-Y512 PolarHBondContact O-N 2.93Å; L474-V514 HydrophobicContact CD1-CG2 3.76Å; L474-V514 HydrophobicContact CG-CG2 4.45Å; L474-L526 HydrophobicContact CD2-CD1 4.09Å; L474-V530 HydrophobicContact CB-CG1 4.11Å; L474-V530 HydrophobicContact CD2-CG1 4.27Å; L474-V530 HydrophobicContact CD2-CG2 4.4Å; L474-V533 HydrophobicContact CD2-CB 4.13Å; L474-V533 HydrophobicContact CD2-CG2 3.66Å
475Q94.9Very high92.9Very high34 Ų3441.9 Ų41.916%0.15926%0.26CS..EExtended strand (participates in β ladder)trans-97.5116.7171.7-163.2-177.82500109.6D509 V510 W511 K531 N532Q475-D509 HydrophobicContact CG-CB 4.14Å; Q475-V510 WeakPolarHBondContact CA-O 3.22Å; Q475-W511 HydrophobicContact CB-CD2 3.83Å; Q475-W511 HydrophobicContact CB-CE3 3.88Å; Q475-W511 HydrophobicContact CB-CH2 3.99Å; Q475-W511 HydrophobicContact CB-CZ2 3.91Å; Q475-W511 HydrophobicContact CB-CZ3 3.96Å; Q475-W511 HydrophobicContact CG-CD2 4.15Å; Q475-W511 HydrophobicContact CG-CG 4.43Å; Q475-W511 HydrophobicContact CG-CZ2 4.31Å; Q475-K531 WeakPolarHBondContact O-CA 3.23Å; Q475-K531 WeakPolarHBondContact O-CB 3.36Å; Q475-K531 PolarHBondContact O-N 3.05Å; Q475-N532 HydrophobicContact CB-CB 3.94Å; Q475-N532 PolarHBondContact N-O 2.95Å; Q475-N532 PolarHBondContact O-N 2.96Å; Q475-N532 PolarHBondContact OE1-ND2 3.01Å
476A93.1Very high92.9Very high6 Ų641.8 Ų41.85%0.0526%0.259CS..EExtended strand (participates in β ladder)trans-151.7160.7-17900000111.3L482 V510 Y512 V530A476-L482 HydrophobicContact CB-CD1 3.99Å; A476-L482 HydrophobicContact CB-CD2 3.79Å; A476-V510 PolarHBondContact N-O 2.85Å; A476-V510 PolarHBondContact O-N 2.88Å; A476-Y512 HydrophobicContact CB-CE2 4.46Å; A476-V530 HydrophobicContact CB-CB 4.3Å; A476-V530 HydrophobicContact CB-CG1 4.18Å
477S90.8Very high92.8Very high68 Ų6841.1 Ų41.148%0.47626%0.257SS..EExtended strand (participates in β ladder)trans-71153.3167.259.70000110.6D479 G508 D509S477-D479 PolarHBondContact O-N 3.22Å; S477-G508 WeakPolarHBondContact CA-O 3.31Å; S477-D509 PolarHBondContact N-OD1 2.99Å
478A83.3Confident92.8Very high50 Ų5043 Ų4341%0.41328%0.277SS..  trans-67101.3177.400000111.7H506A478-H506 HydrophobicContact CB-CB 3.63Å; A478-H506 WeakPolarHBondContact CB-O 3.22Å
479D85.8Confident92.9Very high84 Ų8440.2 Ų40.245%0.44926%0.261SS..  trans-125125175.1-174.9-16.6000109.1S477 Q481 L482S477-D479 PolarHBondContact O-N 3.22Å; D479-Q481 PolarHBondContact O-N 3.38Å; D479-Q481 WeakPolarHBondContact OD1-CB 3.4Å; D479-Q481 PolarHBondContact OD1-N 2.78Å; D479-L482 VanDerWaalsContact O-CB 3.23Å; D479-L482 WeakPolarHBondContact O-CB 3.42Å; D479-L482 PolarHBondContact O-N 2.83Å
480P85.9Confident93Very high118 Ų11838.8 Ų38.877%0.76625%0.246SC*.THydrogen-bonded Turntrans-52.3-24.7172.9-26.735000114.7P484P480-P484 WeakPolarHBondContact O-CD 3.4Å
481Q90.9Very high92.9Very high117 Ų11740.2 Ų40.255%0.54726%0.263SS..THydrogen-bonded Turntrans-81.4-10.7178.1-62.7-61.4-29.200114D479 P484 S485D479-Q481 PolarHBondContact O-N 3.38Å; D479-Q481 WeakPolarHBondContact OD1-CB 3.4Å; D479-Q481 PolarHBondContact OD1-N 2.78Å; Q481-P484 WeakPolarHBondContact O-CD 3.26Å; Q481-S485 VanDerWaalsContact O-CB 3.23Å; Q481-S485 WeakPolarHBondContact O-CB 3.43Å; Q481-S485 PolarHBondContact O-N 2.86Å; Q481-S485 PolarHBondContact O-OG 3.39Å
482L90.4Very high92.8Very high12 Ų1244.2 Ų44.26%0.06329%0.291CS..Hα-helixtrans-59.9-55.4-176.4178.263.8000111.9A476 D479 S485 V486 Y512 V530A476-L482 HydrophobicContact CB-CD1 3.99Å; A476-L482 HydrophobicContact CB-CD2 3.79Å; D479-L482 VanDerWaalsContact O-CB 3.23Å; D479-L482 WeakPolarHBondContact O-CB 3.42Å; D479-L482 PolarHBondContact O-N 2.83Å; L482-S485 PolarHBondContact O-N 3.38Å; L482-V486 HydrophobicContact CD1-CG2 3.94Å; L482-V486 HydrophobicContact CG-CG2 4.44Å; L482-V486 WeakPolarHBondContact O-CB 3.38Å; L482-V486 VanDerWaalsContact O-CG2 3.26Å; L482-V486 WeakPolarHBondContact O-CG2 3.35Å; L482-V486 PolarHBondContact O-N 3.2Å; L482-Y512 HydrophobicContact CD2-CD2 3.74Å; L482-Y512 HydrophobicContact CD2-CE1 4.35Å; L482-Y512 HydrophobicContact CD2-CE2 3.52Å; L482-Y512 HydrophobicContact CD2-CG 4.27Å; L482-V530 HydrophobicContact CD1-CG1 3.87Å
483L91.2Very high92.7Very high71 Ų7148.7 Ų48.737%0.37231%0.312SS..Hα-helixtrans-63.5-47.8-177.2176.164000112.5S485 V486 A487 F500L483-S485 VanDerWaalsContact C-N 3.31Å; L483-S485 PolarHBondContact O-N 2.54Å; L483-V486 PolarHBondContact O-N 3.29Å; L483-A487 VanDerWaalsContact O-CB 3.27Å; L483-A487 WeakPolarHBondContact O-CB 3.49Å; L483-A487 PolarHBondContact O-N 3.24Å; L483-F500 HydrophobicContact CB-CZ 4.41Å; L483-F500 HydrophobicContact CD1-CD1 4.37Å; L483-F500 HydrophobicContact CD1-CD2 3.66Å; L483-F500 HydrophobicContact CD1-CE1 4.48Å; L483-F500 HydrophobicContact CD1-CE2 3.81Å; L483-F500 HydrophobicContact CD1-CG 3.96Å; L483-F500 HydrophobicContact CD1-CZ 4.21Å; L483-F500 HydrophobicContact CD2-CD1 4.2Å; L483-F500 HydrophobicContact CD2-CE1 4.2Å
484P94.9Very high92.6Very high76 Ų7651.6 Ų51.649%0.49434%0.342SS..Hα-helixtrans-56.4-42.3173.6-26.734.4000113.5P480 Q481 A487 G488P480-P484 WeakPolarHBondContact O-CD 3.4Å; Q481-P484 WeakPolarHBondContact O-CD 3.26Å; P484-A487 PolarHBondContact O-N 2.72Å; P484-G488 PolarHBondContact O-N 2.98Å
485S94.4Very high92.6Very high45 Ų4552 Ų5232%0.31535%0.345SS..Hα-helixtrans-68.6-44.7-178.5-57.60000111.9Q481 L482 L483 A487 G488 A489Q481-S485 VanDerWaalsContact O-CB 3.23Å; Q481-S485 WeakPolarHBondContact O-CB 3.43Å; Q481-S485 PolarHBondContact O-N 2.86Å; Q481-S485 PolarHBondContact O-OG 3.39Å; L482-S485 PolarHBondContact O-N 3.38Å; L483-S485 VanDerWaalsContact C-N 3.31Å; L483-S485 PolarHBondContact O-N 2.54Å; S485-A487 VanDerWaalsContact C-N 3.35Å; S485-G488 PolarHBondContact O-N 3.28Å; S485-A489 WeakPolarHBondContact O-CB 3.43Å; S485-A489 PolarHBondContact O-N 2.93Å
486V94.3Very high92.6Very high2 Ų257.1 Ų57.11%0.01237%0.368CS..Hα-helixtrans-62.9-43.2175.61700000110.5L474 L482 L483 G488 A489 L490 L526 L529L474-V486 HydrophobicContact CD1-CB 4.48Å; L474-V486 HydrophobicContact CD1-CG1 3.84Å; L474-V486 HydrophobicContact CD1-CG2 3.85Å; L482-V486 HydrophobicContact CD1-CG2 3.94Å; L482-V486 HydrophobicContact CG-CG2 4.44Å; L482-V486 WeakPolarHBondContact O-CB 3.38Å; L482-V486 VanDerWaalsContact O-CG2 3.26Å; L482-V486 WeakPolarHBondContact O-CG2 3.35Å; L482-V486 PolarHBondContact O-N 3.2Å; L483-V486 PolarHBondContact O-N 3.29Å; V486-G488 PolarHBondContact O-N 3.45Å; V486-A489 PolarHBondContact O-N 3.39Å; V486-L490 HydrophobicContact CG1-CD1 3.92Å; V486-L490 HydrophobicContact CG1-CG 4.32Å; V486-L490 WeakPolarHBondContact O-CG 3.37Å; V486-L490 PolarHBondContact O-N 3.08Å; V486-L526 HydrophobicContact CG1-CD2 4.34Å; V486-L529 HydrophobicContact CG2-CD1 4.21Å
487A95.1Very high92.8Very high35 Ų3559.9 Ų59.929%0.28938%0.382SS..Hα-helixtrans-62.1-42.3177.300000112.3L483 P484 S485 L490 A491 I497L483-A487 VanDerWaalsContact O-CB 3.27Å; L483-A487 WeakPolarHBondContact O-CB 3.49Å; L483-A487 PolarHBondContact O-N 3.24Å; P484-A487 PolarHBondContact O-N 2.72Å; S485-A487 VanDerWaalsContact C-N 3.35Å; A487-L490 PolarHBondContact O-N 3.44Å; A487-A491 VanDerWaalsContact O-CB 3.28Å; A487-A491 WeakPolarHBondContact O-CB 3.47Å; A487-A491 PolarHBondContact O-N 3.1Å; A487-I497 HydrophobicContact CB-CD1 3.74Å
488G95.4Very high93Very high42 Ų4263 Ų6343%0.43339%0.388SS..Hα-helixtrans-61.5-44.4174.300000112.7P484 S485 V486 A491 S492P484-G488 PolarHBondContact O-N 2.98Å; S485-G488 PolarHBondContact O-N 3.28Å; V486-G488 PolarHBondContact O-N 3.45Å; G488-A491 PolarHBondContact O-N 2.99Å; G488-S492 PolarHBondContact O-N 3.11Å; G488-S492 PolarHBondContact O-OG 2.96Å
489A94.8Very high93.5Very high12 Ų1263.2 Ų63.210%0.09939%0.387CS..Hα-helixtrans-64-40.7177.400000113.1S485 V486 S492 V525 L526 L529S485-A489 WeakPolarHBondContact O-CB 3.43Å; S485-A489 PolarHBondContact O-N 2.93Å; V486-A489 PolarHBondContact O-N 3.39Å; A489-S492 PolarHBondContact O-OG 3.47Å; A489-V525 HydrophobicContact CB-CG1 3.96Å; A489-L526 HydrophobicContact CB-CD2 3.7Å; A489-L529 HydrophobicContact CB-CD1 4.21Å
490L95.6Very high93.9Very high1 Ų162.9 Ų62.91%0.00538%0.382CS..Hα-helixtrans-68.6-40175.5-68.4175.4000111.5L472 V486 A487 S492 E493 G494 V495 I497 V514 V516 L520L472-L490 HydrophobicContact CD1-CD1 4.11Å; L472-L490 HydrophobicContact CD1-CD2 3.63Å; L472-L490 HydrophobicContact CD1-CG 4.49Å; V486-L490 HydrophobicContact CG1-CD1 3.92Å; V486-L490 HydrophobicContact CG1-CG 4.32Å; V486-L490 WeakPolarHBondContact O-CG 3.37Å; V486-L490 PolarHBondContact O-N 3.08Å; A487-L490 PolarHBondContact O-N 3.44Å; L490-S492 PolarHBondContact O-N 3.36Å; L490-E493 CarbonylContact O-C 3.56Å; L490-E493 PolarHBondContact O-N 3.46Å; L490-E493 VanDerWaalsContact O-N 3.15Å; L490-G494 PolarHBondContact O-N 3.02Å; L490-V495 CarbonylContact C-O 3.52Å; L490-V495 HydrophobicContact CB-CB 4.33Å; L490-V495 HydrophobicContact CD2-CB 4.34Å; L490-V495 HydrophobicContact CD2-CG1 4.3Å; L490-V495 PolarHBondContact O-N 3.3Å; L490-I497 HydrophobicContact CD1-CD1 3.98Å; L490-I497 HydrophobicContact CD1-CG1 3.65Å; L490-V514 HydrophobicContact CD1-CG1 4.34Å; L490-V516 HydrophobicContact CD1-CG1 4.01Å; L490-L520 HydrophobicContact CD2-CD1 3.74Å; L490-L520 HydrophobicContact CD2-CD2 3.95Å; L490-L520 HydrophobicContact CD2-CG 4Å
491A94.7Very high94.3Very high67 Ų6758 Ų5855%0.55435%0.351SS*.Hα-helixtrans-64.6-37178.600000112.8A487 G488 E493 G494A487-A491 VanDerWaalsContact O-CB 3.28Å; A487-A491 WeakPolarHBondContact O-CB 3.47Å; A487-A491 PolarHBondContact O-N 3.1Å; G488-A491 PolarHBondContact O-N 2.99Å; A491-E493 PolarHBondContact O-N 2.89Å; A491-G494 PolarHBondContact O-N 3.38Å
492S93.9Very high94.3Very high87 Ų8753.8 Ų53.861%0.60834%0.336SS*.Hα-helixtrans-64.5-26.2175.155.20000113.2G488 A489 L490 G494G488-S492 PolarHBondContact O-N 3.11Å; G488-S492 PolarHBondContact O-OG 2.96Å; A489-S492 PolarHBondContact O-OG 3.47Å; L490-S492 PolarHBondContact O-N 3.36Å; S492-G494 VanDerWaalsContact C-N 3.34Å
493E95.1Very high94.4Very high94 Ų9453.3 Ų53.344%0.43933%0.333SS..THydrogen-bonded Turntrans-91.43.4174.9-61.4-61.2135.100112.6L490 A491 V495 L520 V525L490-E493 CarbonylContact O-C 3.56Å; L490-E493 PolarHBondContact O-N 3.46Å; L490-E493 VanDerWaalsContact O-N 3.15Å; A491-E493 PolarHBondContact O-N 2.89Å; E493-V495 VanDerWaalsContact C-N 3.28Å; E493-V495 HydrophobicContact CB-CG2 4.25Å; E493-V495 PolarHBondContact O-N 2.9Å; E493-L520 HydrophobicContact CB-CD2 3.7Å; E493-L520 HydrophobicContact CG-CD2 3.87Å; E493-V525 HydrophobicContact CG-CG2 4.4Å
494G94.3Very high94.2Very high61 Ų6153.4 Ų53.463%0.62934%0.337SS*.THydrogen-bonded Turntrans71.218-179.500000114.6L490 A491 S492L490-G494 PolarHBondContact O-N 3.02Å; A491-G494 PolarHBondContact O-N 3.38Å; S492-G494 VanDerWaalsContact C-N 3.34Å
495V96.1Very high93.7Very high11 Ų1154.1 Ų54.17%0.06734%0.336CS..PPolyproline II helixtrans-95127.3-178.3-179.40000110.5L490 E493 V516 S518 L520L490-V495 CarbonylContact C-O 3.52Å; L490-V495 HydrophobicContact CB-CB 4.33Å; L490-V495 HydrophobicContact CD2-CB 4.34Å; L490-V495 HydrophobicContact CD2-CG1 4.3Å; L490-V495 PolarHBondContact O-N 3.3Å; E493-V495 VanDerWaalsContact C-N 3.28Å; E493-V495 HydrophobicContact CB-CG2 4.25Å; E493-V495 PolarHBondContact O-N 2.9Å; V495-V516 HydrophobicContact CG1-CB 3.64Å; V495-V516 HydrophobicContact CG1-CG1 3.99Å; V495-V516 HydrophobicContact CG1-CG2 4.33Å; V495-S518 WeakPolarHBondContact CG1-O 3.29Å; V495-L520 HydrophobicContact CG2-CD2 3.81Å
496Q95.6Very high93.1Very high140 Ų14056.2 Ų56.265%0.65434%0.341SS*.PPolyproline II helixtrans-87.4140.9178.3-62.8-176.3-1100111.2V516 S517Q496-V516 VanDerWaalsContact O-CA 3.26Å; Q496-V516 WeakPolarHBondContact O-CA 3.42Å; Q496-S517 PolarHBondContact N-OG 2.85Å; Q496-S517 VanDerWaalsContact N-OG 3.07Å; Q496-S517 PolarHBondContact O-N 3.26Å
497I96.3Very high92.4Very high65 Ų6561 Ų6133%0.33337%0.37SS..EExtended strand (participates in β ladder)trans-85.2122.7170-62.6174.8000108.7A487 L490 V514A487-I497 HydrophobicContact CB-CD1 3.74Å; L490-I497 HydrophobicContact CD1-CD1 3.98Å; L490-I497 HydrophobicContact CD1-CG1 3.65Å; I497-V514 HydrophobicContact CB-CG1 4.39Å; I497-V514 HydrophobicContact CD1-CG1 4.38Å; I497-V514 HydrophobicContact CG1-CG1 4.01Å; I497-V514 HydrophobicContact CG2-CG1 3.72Å
498E95.4Very high92Very high132 Ų13261.8 Ų61.862%0.61738%0.382SS*.EExtended strand (participates in β ladder)trans-99.5-33.2178.3-60.1-176.5159.800112G515 S517E498-G515 PolarHBondContact N-O 3.38Å; E498-S517 WeakPolarHBondContact OE1-CA 3.11Å
499S94.3Very high91.7Very high55 Ų5562.8 Ų62.839%0.38538%0.378SS..EExtended strand (participates in β ladder)trans-152.1155.8176.262.70000111.7V514 G515S499-V514 CarbonylContact O-C 3.52Å; S499-V514 WeakPolarHBondContact O-CA 3.42Å; S499-V514 WeakPolarHBondContact O-CG1 3.28Å; S499-G515 PolarHBondContact N-O 2.72Å; S499-G515 PolarHBondContact O-N 3.43Å; S499-G515 WeakPolarHBondContact OG-CA 3.41Å; S499-G515 PolarHBondContact OG-N 2.87Å
500F93.8Very high91.6Very high78 Ų7862.7 Ų62.734%0.34238%0.376SS..EExtended strand (participates in β ladder)trans-138.3122.8173.6178.4-101.5000109.7L483 A502 Y512 V514L483-F500 HydrophobicContact CB-CZ 4.41Å; L483-F500 HydrophobicContact CD1-CD1 4.37Å; L483-F500 HydrophobicContact CD1-CD2 3.66Å; L483-F500 HydrophobicContact CD1-CE1 4.48Å; L483-F500 HydrophobicContact CD1-CE2 3.81Å; L483-F500 HydrophobicContact CD1-CG 3.96Å; L483-F500 HydrophobicContact CD1-CZ 4.21Å; L483-F500 HydrophobicContact CD2-CD1 4.2Å; L483-F500 HydrophobicContact CD2-CE1 4.2Å; F500-A502 HydrophobicContact CE1-CB 3.94Å; F500-A502 HydrophobicContact CZ-CB 4.39Å; F500-Y512 HydrophobicContact CE1-CD1 4.4Å; F500-Y512 HydrophobicContact CE2-CD1 4.1Å; F500-Y512 AromaticContact CZ-CD1 3.55Å; F500-Y512 HydrophobicContact CZ-CD1 3.55Å; F500-Y512 HydrophobicContact CZ-CE1 4.17Å; F500-Y512 HydrophobicContact CZ-CG 4.37Å; F500-V514 HydrophobicContact CD2-CG2 4.01Å; F500-V514 HydrophobicContact CE2-CG2 4.41Å
501S93.9Very high91.6Very high16 Ų1663 Ų6311%0.11238%0.377CS..EExtended strand (participates in β ladder)trans-122117.3-179.2-66.50000110.3C513S501-C513 PolarHBondContact N-O 3.43Å; S501-C513 PolarHBondContact O-N 2.97Å
502A91.5Very high91.6Very high28 Ų2860.5 Ų60.523%0.23135%0.353CS..  trans-102.8151.1176.400000111.5R462 F500 Y512R462-A502 PolarHBondContact N-O 2.84Å; R462-A502 VanDerWaalsContact N-O 3.12Å; F500-A502 HydrophobicContact CE1-CB 3.94Å; F500-A502 HydrophobicContact CZ-CB 4.39Å; A502-Y512 HydrophobicContact CB-CD1 3.84Å; A502-Y512 HydrophobicContact CB-CE1 3.86Å
503P91.1Very high91.7Very high1 Ų156.4 Ų56.41%0.00632%0.324CS..BIsolated β-bridgetrans-70.9162.8174.827.3-29.3000112.2V460 D505 H506 V510 W511V460-P503 CarbonylContact O-C 3.4Å; V460-P503 WeakPolarHBondContact O-CA 3.41Å; V460-P503 WeakPolarHBondContact O-CB 3.48Å; P503-D505 WeakPolarHBondContact CG-O 3.19Å; P503-H506 PolarHBondContact O-CE1 3.34Å; P503-V510 HydrophobicContact CG-CB 3.7Å; P503-V510 HydrophobicContact CG-CG1 4.5Å; P503-V510 HydrophobicContact CG-CG2 3.46Å; P503-V510 VanDerWaalsContact CG-CG2 3.46Å; P503-W511 WeakPolarHBondContact CD-O 3.33Å
504V88Confident91.8Very high74 Ų7452 Ų5245%0.44830%0.304SS..SBendtrans-73.2-41.61771790000111V460 R462V460-V504 PolarHBondContact O-N 3.33Å; R462-V504 HydrophobicContact CB-CG2 4.03Å
505D84.4Confident91.9Very high90 Ų9049.1 Ų49.148%0.48128%0.275SS..  trans-94.5145.3174.2-167-3.8000110.1P503 T507P503-D505 WeakPolarHBondContact CG-O 3.19Å; D505-T507 VanDerWaalsContact CG-OG1 3.26Å; D505-T507 WeakPolarHBondContact OD1-CB 3.5Å; D505-T507 VanDerWaalsContact OD1-CG2 3.3Å; D505-T507 WeakPolarHBondContact OD1-CG2 3.47Å; D505-T507 PolarHBondContact OD1-N 3.15Å; D505-T507 PolarHBondContact OD1-OG1 3.1Å; D505-T507 PolarHBondContact OD2-OG1 2.89Å
506H80.8Confident91.9Very high89 Ų8948.7 Ų48.741%0.41227%0.272SS..  trans-123.710.3-175.8-64.9-42.3000111.7A478 P503A478-H506 HydrophobicContact CB-CB 3.63Å; A478-H506 WeakPolarHBondContact CB-O 3.22Å; P503-H506 PolarHBondContact O-CE1 3.34Å
507T80.7Confident91.9Very high102 Ų10244.1 Ų44.163%0.62626%0.256SS*.SBendtrans-77.6124.8177.959.90000111.5D505D505-T507 VanDerWaalsContact CG-OG1 3.26Å; D505-T507 WeakPolarHBondContact OD1-CB 3.5Å; D505-T507 VanDerWaalsContact OD1-CG2 3.3Å; D505-T507 WeakPolarHBondContact OD1-CG2 3.47Å; D505-T507 PolarHBondContact OD1-N 3.15Å; D505-T507 PolarHBondContact OD1-OG1 3.1Å; D505-T507 PolarHBondContact OD2-OG1 2.89Å
508G85.9Confident91.9Very high52 Ų5243.5 Ų43.554%0.53626%0.257SS..SBendtrans72.4-154.9-179.900000113.8S477S477-G508 WeakPolarHBondContact CA-O 3.31Å
509D89.1Confident91.9Very high64 Ų6440.2 Ų40.234%0.34224%0.243SC..EExtended strand (participates in β ladder)trans-86.3110.4178.5-66.1-47.3000110.6Q475 S477 K531Q475-D509 HydrophobicContact CG-CB 4.14Å; S477-D509 PolarHBondContact N-OD1 2.99Å; D509-K531 HydrophobicContact CB-CD 4.25Å; D509-K531 WeakPolarHBondContact OD2-CD 3.44Å; D509-K531 WeakPolarHBondContact OD2-CE 3.46Å; D509-K531 IonicContact OD2-NZ 2.64Å; D509-K531 PolarHBondContact OD2-NZ 2.62Å
510V92.8Very high91.8Very high10 Ų1038 Ų386%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-116157.8-176.4-610000111.4S459 Q475 A476 P503 Y512S459-V510 WeakPolarHBondContact OG-CA 3.35Å; Q475-V510 WeakPolarHBondContact CA-O 3.22Å; A476-V510 PolarHBondContact N-O 2.85Å; A476-V510 PolarHBondContact O-N 2.88Å; P503-V510 HydrophobicContact CG-CB 3.7Å; P503-V510 HydrophobicContact CG-CG1 4.5Å; P503-V510 HydrophobicContact CG-CG2 3.46Å; P503-V510 VanDerWaalsContact CG-CG2 3.46Å; V510-Y512 HydrophobicContact CG2-CD2 4.45Å; V510-Y512 HydrophobicContact CG2-CE2 3.64Å
511W95Very high91.6Very high7 Ų743.9 Ų43.93%0.02726%0.255CS..EExtended strand (participates in β ladder)trans-89.5129178.8-71.595.1000111.8C349 L456 S459 F461 F473 L474 Q475 P503 N532C349-W511 HydrophobicContact CB-CH2 3.85Å; C349-W511 HydrophobicContact CB-CZ2 4.11Å; C349-W511 HydrophobicContact CB-CZ3 4.37Å; L456-W511 HydrophobicContact CB-CB 4.4Å; L456-W511 HydrophobicContact CB-CG 4.48Å; L456-W511 HydrophobicContact CD2-CB 4.02Å; L456-W511 HydrophobicContact CD2-CD2 3.74Å; L456-W511 HydrophobicContact CD2-CE3 4.05Å; L456-W511 HydrophobicContact CD2-CG 3.73Å; L456-W511 HydrophobicContact CG-CB 4.42Å; L456-W511 HydrophobicContact CG-CD2 4.37Å; L456-W511 HydrophobicContact CG-CG 4.04Å; S459-W511 PolarHBondContact OG-N 2.9Å; F461-W511 WeakPolarHBondContact CE1-O 3.48Å; F461-W511 HydrophobicContact CZ-CB 4.47Å; F473-W511 HydrophobicContact CB-CE3 3.84Å; F473-W511 HydrophobicContact CB-CZ3 3.78Å; L474-W511 CarbonylContact O-C 3.46Å; L474-W511 WeakPolarHBondContact O-CA 3.48Å; Q475-W511 HydrophobicContact CB-CD2 3.83Å; Q475-W511 HydrophobicContact CB-CE3 3.88Å; Q475-W511 HydrophobicContact CB-CH2 3.99Å; Q475-W511 HydrophobicContact CB-CZ2 3.91Å; Q475-W511 HydrophobicContact CB-CZ3 3.96Å; Q475-W511 HydrophobicContact CG-CD2 4.15Å; Q475-W511 HydrophobicContact CG-CG 4.43Å; Q475-W511 HydrophobicContact CG-CZ2 4.31Å; P503-W511 WeakPolarHBondContact CD-O 3.33Å; W511-N532 HydrophobicContact CH2-CB 3.99Å
512Y95Very high91.5Very high14 Ų1446.5 Ų46.56%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-107.4151.3167.9-58.3-97000109F473 L474 A476 L482 F500 A502 V510F473-Y512 WeakPolarHBondContact CA-O 3.43Å; L474-Y512 PolarHBondContact N-O 2.79Å; L474-Y512 PolarHBondContact O-N 2.93Å; A476-Y512 HydrophobicContact CB-CE2 4.46Å; L482-Y512 HydrophobicContact CD2-CD2 3.74Å; L482-Y512 HydrophobicContact CD2-CE1 4.35Å; L482-Y512 HydrophobicContact CD2-CE2 3.52Å; L482-Y512 HydrophobicContact CD2-CG 4.27Å; F500-Y512 HydrophobicContact CE1-CD1 4.4Å; F500-Y512 HydrophobicContact CE2-CD1 4.1Å; F500-Y512 AromaticContact CZ-CD1 3.55Å; F500-Y512 HydrophobicContact CZ-CD1 3.55Å; F500-Y512 HydrophobicContact CZ-CE1 4.17Å; F500-Y512 HydrophobicContact CZ-CG 4.37Å; A502-Y512 HydrophobicContact CB-CD1 3.84Å; A502-Y512 HydrophobicContact CB-CE1 3.86Å; V510-Y512 HydrophobicContact CG2-CD2 4.45Å; V510-Y512 HydrophobicContact CG2-CE2 3.64Å
513C96.4Very high91.5Very high1 Ų147 Ų471%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-121.8135.2172-171.30000110.6F461 V465 L472 F473 S501F461-C513 HydrophobicContact CE1-CB 4.22Å; F461-C513 HydrophobicContact CZ-CB 4.44Å; V465-C513 HydrophobicContact CG1-CB 3.97Å; V465-C513 VanDerWaalsContact CG1-SG 3.5Å; V465-C513 HydrophobicContact CG2-CB 3.95Å; L472-C513 CarbonylContact O-C 3.48Å; L472-C513 VanDerWaalsContact O-CA 3.31Å; L472-C513 WeakPolarHBondContact O-CA 3.32Å; F473-C513 HydrophobicContact CD1-CB 4.28Å; F473-C513 HydrophobicContact CE1-CB 4.11Å; S501-C513 PolarHBondContact N-O 3.43Å; S501-C513 PolarHBondContact O-N 2.97Å
514V96.4Very high91.4Very high1 Ų150.6 Ų50.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-122.7119.5176.2-163.20000108.3L472 L474 L490 I497 S499 F500 V516L472-V514 HydrophobicContact CB-CB 4.19Å; L472-V514 PolarHBondContact N-O 3.18Å; L472-V514 PolarHBondContact O-N 2.88Å; L474-V514 HydrophobicContact CD1-CG2 3.76Å; L474-V514 HydrophobicContact CG-CG2 4.45Å; L490-V514 HydrophobicContact CD1-CG1 4.34Å; I497-V514 HydrophobicContact CB-CG1 4.39Å; I497-V514 HydrophobicContact CD1-CG1 4.38Å; I497-V514 HydrophobicContact CG1-CG1 4.01Å; I497-V514 HydrophobicContact CG2-CG1 3.72Å; S499-V514 CarbonylContact O-C 3.52Å; S499-V514 WeakPolarHBondContact O-CA 3.42Å; S499-V514 WeakPolarHBondContact O-CG1 3.28Å; F500-V514 HydrophobicContact CD2-CG2 4.01Å; F500-V514 HydrophobicContact CE2-CG2 4.41Å; V514-V516 HydrophobicContact CG1-CG1 4.04Å
515G96.4Very high91.6Very high2 Ų249.4 Ų49.42%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-78.4134.116700000109.7E498 S499E498-G515 PolarHBondContact N-O 3.38Å; S499-G515 PolarHBondContact N-O 2.72Å; S499-G515 PolarHBondContact O-N 3.43Å; S499-G515 WeakPolarHBondContact OG-CA 3.41Å; S499-G515 PolarHBondContact OG-N 2.87Å
516V97Very high92Very high1 Ų145.1 Ų45.11%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-133.4152.9-174.8-67.30000112.6N470 L472 L490 V495 Q496 V514 S518N470-V516 HydrophobicContact CB-CG2 3.86Å; N470-V516 WeakPolarHBondContact CB-O 3.12Å; N470-V516 PolarHBondContact O-N 2.87Å; L472-V516 HydrophobicContact CD1-CG1 3.67Å; L472-V516 HydrophobicContact CD1-CG2 4.29Å; L472-V516 HydrophobicContact CG-CG1 4.22Å; L472-V516 HydrophobicContact CG-CG2 4.12Å; L490-V516 HydrophobicContact CD1-CG1 4.01Å; V495-V516 HydrophobicContact CG1-CB 3.64Å; V495-V516 HydrophobicContact CG1-CG1 3.99Å; V495-V516 HydrophobicContact CG1-CG2 4.33Å; Q496-V516 VanDerWaalsContact O-CA 3.26Å; Q496-V516 WeakPolarHBondContact O-CA 3.42Å; V514-V516 HydrophobicContact CG1-CG1 4.04Å; V516-S518 WeakPolarHBondContact CG2-O 3.46Å; V516-S518 PolarHBondContact O-N 2.57Å
517S96.1Very high92.4Very high45 Ų4546.1 Ų46.132%0.31526%0.259SS..SBendtrans-64.6-27.8179.860.40000113.8N470 Q496 E498N470-S517 PolarHBondContact ND2-O 3.31Å; Q496-S517 PolarHBondContact N-OG 2.85Å; Q496-S517 VanDerWaalsContact N-OG 3.07Å; Q496-S517 PolarHBondContact O-N 3.26Å; E498-S517 WeakPolarHBondContact OE1-CA 3.11Å
518S95.9Very high92.9Very high51 Ų5146.5 Ų46.536%0.35726%0.264SS..SBendtrans-157.2151179.455.50000111V495 V516V495-S518 WeakPolarHBondContact CG1-O 3.29Å; V516-S518 WeakPolarHBondContact CG2-O 3.46Å; V516-S518 PolarHBondContact O-N 2.57Å
519L94.4Very high93.2Very high64 Ų6447 Ų4734%0.33525%0.253SS..  trans-63.7148.3172.5-61.3178.4000111.3N470 Q535N470-L519 HydrophobicContact CB-CD2 3.81Å; N470-L519 HydrophobicContact CB-CG 4.24Å; L519-Q535 HydrophobicContact CD2-CB 3.97Å; L519-Q535 HydrophobicContact CD2-CG 4.01Å
520L93.1Very high93.4Very high8 Ų844.6 Ų44.64%0.04224%0.241CC..  trans-73.7139.3173.7-73.5171.2000110.3L472 L490 E493 V495 D522 L523 L526 Q535L472-L520 HydrophobicContact CD1-CD1 4.38Å; L472-L520 HydrophobicContact CD2-CD1 4.48Å; L490-L520 HydrophobicContact CD2-CD1 3.74Å; L490-L520 HydrophobicContact CD2-CD2 3.95Å; L490-L520 HydrophobicContact CD2-CG 4Å; E493-L520 HydrophobicContact CB-CD2 3.7Å; E493-L520 HydrophobicContact CG-CD2 3.87Å; V495-L520 HydrophobicContact CG2-CD2 3.81Å; L520-D522 VanDerWaalsContact C-N 3.35Å; L520-L523 HydrophobicContact CB-CD2 4.2Å; L520-L523 HydrophobicContact CD1-CD2 4.1Å; L520-L526 HydrophobicContact CD1-CD1 3.53Å; L520-L526 HydrophobicContact CD1-CG 4.01Å; L520-Q535 PolarHBondContact O-NE2 2.78Å; L520-Q535 PolarHBondContact O-OE1 3.45Å
521Q90.1Very high93.4Very high201 Ų20150.3 Ų50.394%0.93927%0.265SS*.SBendtrans-69.4-37172.3-65.2-171.34.100111.4
522D90.5Very high93.2Very high72 Ų7252.3 Ų52.339%0.38528%0.276SS..  trans-130.1115.1176.5-169.41.1000112.3L520 N524L520-D522 VanDerWaalsContact C-N 3.35Å; D522-N524 VanDerWaalsContact CG-ND2 3.29Å; D522-N524 PolarHBondContact O-N 3.01Å; D522-N524 VanDerWaalsContact OD1-CB 3.22Å; D522-N524 WeakPolarHBondContact OD1-CB 3.32Å; D522-N524 PolarHBondContact OD1-N 3.12Å; D522-N524 PolarHBondContact OD1-ND2 3.31Å; D522-N524 WeakPolarHBondContact OD2-CB 2.94Å; D522-N524 PolarHBondContact OD2-ND2 3Å
523L92.1Very high93.2Very high37 Ų3753 Ų5319%0.19428%0.282CS..G310 helixtrans-71.9-11.5174.7-68.3179.7000113.5L472 L520 V525 L526 K527 V533 Q535L472-L523 HydrophobicContact CD2-CD2 4.18Å; L520-L523 HydrophobicContact CB-CD2 4.2Å; L520-L523 HydrophobicContact CD1-CD2 4.1Å; L523-V525 PolarHBondContact O-N 3.33Å; L523-L526 PolarHBondContact O-N 2.7Å; L523-L526 VanDerWaalsContact O-N 3.08Å; L523-K527 PolarHBondContact O-N 2.74Å; L523-V533 HydrophobicContact CB-CG1 4.13Å; L523-V533 HydrophobicContact CD1-CG2 4.44Å; L523-V533 HydrophobicContact CD2-CG2 3.88Å; L523-Q535 HydrophobicContact CD1-CG 4.15Å; L523-Q535 HydrophobicContact CD2-CB 4.2Å; L523-Q535 HydrophobicContact CD2-CG 4.16Å; L523-Q535 HydrophobicContact CG-CG 4.48Å
524N90.1Very high93.1Very high78 Ų7853.2 Ų53.242%0.41728%0.284SS..G310 helixtrans-60.4-26.4178.9-66.1-41.3000112.8D522 L526 K527 P528D522-N524 VanDerWaalsContact CG-ND2 3.29Å; D522-N524 PolarHBondContact O-N 3.01Å; D522-N524 VanDerWaalsContact OD1-CB 3.22Å; D522-N524 WeakPolarHBondContact OD1-CB 3.32Å; D522-N524 PolarHBondContact OD1-N 3.12Å; D522-N524 PolarHBondContact OD1-ND2 3.31Å; D522-N524 WeakPolarHBondContact OD2-CB 2.94Å; D522-N524 PolarHBondContact OD2-ND2 3Å; N524-L526 PolarHBondContact O-N 3.19Å; N524-K527 PolarHBondContact O-N 3.47Å; N524-K527 WeakPolarHBondContact OD1-CD 3.33Å; N524-K527 WeakPolarHBondContact OD1-CE 3.47Å; N524-K527 PolarHBondContact OD1-NZ 3.14Å; N524-P528 VanDerWaalsContact O-CD 3.31Å; N524-P528 WeakPolarHBondContact O-CD 3.23Å
525V92.1Very high93Very high48 Ų4855.5 Ų55.529%0.29129%0.294SS..G310 helixtrans-59.8-30.4176.6-173.70000111.5A489 E493 L523A489-V525 HydrophobicContact CB-CG1 3.96Å; E493-V525 HydrophobicContact CG-CG2 4.4Å; L523-V525 PolarHBondContact O-N 3.33Å
526L92.8Very high92.8Very high1 Ų155.7 Ų55.71%0.00530%0.295CS..THydrogen-bonded Turntrans-94.8-20.1-178.8-63.5178.5000113.9L472 L474 V486 A489 L520 L523 N524 P528 L529 V530 V533L472-L526 HydrophobicContact CD1-CD1 4.22Å; L474-L526 HydrophobicContact CD2-CD1 4.09Å; V486-L526 HydrophobicContact CG1-CD2 4.34Å; A489-L526 HydrophobicContact CB-CD2 3.7Å; L520-L526 HydrophobicContact CD1-CD1 3.53Å; L520-L526 HydrophobicContact CD1-CG 4.01Å; L523-L526 PolarHBondContact O-N 2.7Å; L523-L526 VanDerWaalsContact O-N 3.08Å; N524-L526 PolarHBondContact O-N 3.19Å; L526-P528 VanDerWaalsContact C-N 3.33Å; L526-L529 HydrophobicContact CD2-CD1 4.29Å; L526-L529 WeakPolarHBondContact O-CB 3.48Å; L526-L529 PolarHBondContact O-N 3.31Å; L526-V530 PolarHBondContact O-N 2.77Å; L526-V533 HydrophobicContact CB-CG2 4.42Å; L526-V533 HydrophobicContact CD1-CG2 4.12Å
527K88.5Confident92.6Very high109 Ų10959.2 Ų59.247%0.47432%0.319SS..THydrogen-bonded Turntrans-55.6-33.7-176.9-73.6-176.1-178.1170.20115.5L523 N524 L529 V533L523-K527 PolarHBondContact O-N 2.74Å; N524-K527 PolarHBondContact O-N 3.47Å; N524-K527 WeakPolarHBondContact OD1-CD 3.33Å; N524-K527 WeakPolarHBondContact OD1-CE 3.47Å; N524-K527 PolarHBondContact OD1-NZ 3.14Å; K527-L529 PolarHBondContact O-N 2.85Å; K527-V533 HydrophobicContact CG-CG1 4.21Å
528P92.1Very high92.2Very high111 Ų11161.3 Ų61.372%0.72133%0.326SS*.THydrogen-bonded Turntrans-66.9-21.5175.4-22.534.4000113.6N524 L526N524-P528 VanDerWaalsContact O-CD 3.31Å; N524-P528 WeakPolarHBondContact O-CD 3.23Å; L526-P528 VanDerWaalsContact C-N 3.33Å
529L91.1Very high92.1Very high62 Ų6261.9 Ų61.933%0.32533%0.325SS..THydrogen-bonded Turntrans-96.2-20-171.7-53.8179.7000112.9V486 A489 L526 K527V486-L529 HydrophobicContact CG2-CD1 4.21Å; A489-L529 HydrophobicContact CB-CD1 4.21Å; L526-L529 HydrophobicContact CD2-CD1 4.29Å; L526-L529 WeakPolarHBondContact O-CB 3.48Å; L526-L529 PolarHBondContact O-N 3.31Å; K527-L529 PolarHBondContact O-N 2.85Å
530V93.5Very high91.9Very high14 Ų1461.7 Ų61.79%0.08532%0.324CS..  trans-140.2153.3-169.5-53.50000111.2L474 A476 L482 L526 N532 V533L474-V530 HydrophobicContact CB-CG1 4.11Å; L474-V530 HydrophobicContact CD2-CG1 4.27Å; L474-V530 HydrophobicContact CD2-CG2 4.4Å; A476-V530 HydrophobicContact CB-CB 4.3Å; A476-V530 HydrophobicContact CB-CG1 4.18Å; L482-V530 HydrophobicContact CD1-CG1 3.87Å; L526-V530 PolarHBondContact O-N 2.77Å; V530-N532 WeakPolarHBondContact CG2-O 3.36Å; V530-V533 HydrophobicContact CG2-CB 3.86Å; V530-V533 HydrophobicContact CG2-CG1 4.4Å
531K91.9Very high91.9Very high130 Ų13064.7 Ų64.757%0.56534%0.34SS*.SBendtrans-71.8-44.1177.4-173.8178.3-173.8176.80112.1Q475 D509Q475-K531 WeakPolarHBondContact O-CA 3.23Å; Q475-K531 WeakPolarHBondContact O-CB 3.36Å; Q475-K531 PolarHBondContact O-N 3.05Å; D509-K531 HydrophobicContact CB-CD 4.25Å; D509-K531 WeakPolarHBondContact OD2-CD 3.44Å; D509-K531 WeakPolarHBondContact OD2-CE 3.46Å; D509-K531 IonicContact OD2-NZ 2.64Å; D509-K531 PolarHBondContact OD2-NZ 2.62Å
532N92.5Very high92Very high48 Ų4856.7 Ų56.726%0.25731%0.305SS..EExtended strand (participates in β ladder)trans-136.8145.7174.4-67.1-67000109.5A351 Q475 W511 V530A351-N532 WeakPolarHBondContact CB-OD1 3.22Å; Q475-N532 HydrophobicContact CB-CB 3.94Å; Q475-N532 PolarHBondContact N-O 2.95Å; Q475-N532 PolarHBondContact O-N 2.96Å; Q475-N532 PolarHBondContact OE1-ND2 3.01Å; W511-N532 HydrophobicContact CH2-CB 3.99Å; V530-N532 WeakPolarHBondContact CG2-O 3.36Å
533V94.1Very high92.1Very high29 Ų2955.8 Ų55.818%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-134.5135.9173.7550000109.2F473 L474 L523 L526 K527 V530F473-V533 WeakPolarHBondContact O-CA 3.43Å; L474-V533 HydrophobicContact CD2-CB 4.13Å; L474-V533 HydrophobicContact CD2-CG2 3.66Å; L523-V533 HydrophobicContact CB-CG1 4.13Å; L523-V533 HydrophobicContact CD1-CG2 4.44Å; L523-V533 HydrophobicContact CD2-CG2 3.88Å; L526-V533 HydrophobicContact CB-CG2 4.42Å; L526-V533 HydrophobicContact CD1-CG2 4.12Å; K527-V533 HydrophobicContact CG-CG1 4.21Å; V530-V533 HydrophobicContact CG2-CB 3.86Å; V530-V533 HydrophobicContact CG2-CG1 4.4Å
534A94Very high92.1Very high6 Ų657 Ų575%0.0531%0.307CS..EExtended strand (participates in β ladder)trans-134.6153.9171.600000109.5S348 L472 F473S348-A534 WeakPolarHBondContact O-CB 3.47Å; L472-A534 WeakPolarHBondContact CA-O 3.16Å; F473-A534 HydrophobicContact CB-CB 4.34Å; F473-A534 PolarHBondContact N-O 2.94Å; F473-A534 PolarHBondContact O-N 3.48Å
535Q93.9Very high92.2Very high48 Ų4855.5 Ų55.522%0.22430%0.299CS..EExtended strand (participates in β ladder)trans-137.5144173.776.8-178.2-12.100109.8L471 L472 L519 L520 L523L471-Q535 VanDerWaalsContact O-CA 3.29Å; L471-Q535 WeakPolarHBondContact O-CA 3.42Å; L472-Q535 HydrophobicContact CD2-CB 3.45Å; L472-Q535 VanDerWaalsContact CD2-CB 3.45Å; L519-Q535 HydrophobicContact CD2-CB 3.97Å; L519-Q535 HydrophobicContact CD2-CG 4.01Å; L520-Q535 PolarHBondContact O-NE2 2.78Å; L520-Q535 PolarHBondContact O-OE1 3.45Å; L523-Q535 HydrophobicContact CD1-CG 4.15Å; L523-Q535 HydrophobicContact CD2-CB 4.2Å; L523-Q535 HydrophobicContact CD2-CG 4.16Å; L523-Q535 HydrophobicContact CG-CG 4.48Å
536L93.4Very high92.2Very high7 Ų756.1 Ų56.14%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-150.6156171.766.4134.3000111.7A344 V345 L471 F473 I538A344-L536 HydrophobicContact CB-CD1 3.91Å; V345-L536 HydrophobicContact CG2-CD1 4.18Å; V345-L536 HydrophobicContact CG2-CD2 4.09Å; L471-L536 PolarHBondContact N-O 3.04Å; L471-L536 PolarHBondContact O-N 2.64Å; F473-L536 HydrophobicContact CD2-CD2 3.69Å; F473-L536 HydrophobicContact CE2-CD2 3.43Å; F473-L536 VanDerWaalsContact CE2-CD2 3.43Å; F473-L536 HydrophobicContact CE2-CG 4.33Å; L536-I538 HydrophobicContact CD1-CD1 3.67Å; L536-I538 HydrophobicContact CD1-CG1 3.35Å; L536-I538 HydrophobicContact CG-CG1 4.34Å
537S92.8Very high92.2Very high74 Ų7460.7 Ų60.752%0.51732%0.324SS..EExtended strand (participates in β ladder)trans-106.5134.5169.1-177.10000108.4G469 N470G469-S537 WeakPolarHBondContact O-CA 3.3Å; N470-S537 PolarHBondContact OD1-OG 2.75Å
538I88.3Confident92.5Very high90 Ų9056.3 Ų56.346%0.46231%0.311SS..  trans-117.20177.5-53.3178.4000110.2A341 L467 G469 L471 L536A341-I538 HydrophobicContact CB-CD1 4.04Å; A341-I538 HydrophobicContact CB-CG2 3.98Å; L467-I538 HydrophobicContact CB-CD1 3.74Å; L467-I538 HydrophobicContact CD2-CD1 3.73Å; L467-I538 HydrophobicContact CG-CD1 4.33Å; L467-I538 VanDerWaalsContact O-CG2 3.3Å; L467-I538 WeakPolarHBondContact O-CG2 3.48Å; G469-I538 PolarHBondContact N-O 2.91Å; G469-I538 PolarHBondContact O-N 2.93Å; L471-I538 HydrophobicContact CD1-CD1 3.78Å; L536-I538 HydrophobicContact CD1-CD1 3.67Å; L536-I538 HydrophobicContact CD1-CG1 3.35Å; L536-I538 HydrophobicContact CG-CG1 4.34Å

Retrieved 538 of 538 residues in 548.5 ms (Link to these results)

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