A0A077Z1C1_TRITR Loading...

cNMP binding domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1C1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 419 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
1M40Very low66.2Low218 Ų218101.4 Ų101.4100%1.07449%0.492SS*.  0-27.30-117.4177.6-85.900114.8S3M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.31Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2K38Very low67.8Low211 Ų211103.4 Ų103.492%0.91750%0.499SS*.THydrogen-bonded Turntrans-69.22.7179.7-94.3-177.7176.6178.70117.5
3S56.1Low69.4Low65 Ų6597.2 Ų97.246%0.45547%0.473SS..THydrogen-bonded Turntrans-115.9-12.6-175.467.40000116.3M1 R7M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.31Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-R7 WeakPolarHBondContact O-CG 3.45Å
4W53.1Low70.8Confident114 Ų11499.2 Ų99.243%0.43249%0.487SS..THydrogen-bonded Turntrans-77-40.7-177-151.478000111.7C6 I9W4-C6 VanDerWaalsContact C-N 3.32Å; W4-C6 PolarHBondContact O-N 3.26Å; W4-I9 HydrophobicContact CH2-CD1 4.29Å
5F56.7Low72.1Confident126 Ų126100.3 Ų100.355%0.55349%0.49SS*.THydrogen-bonded Turntrans-72.6-19.2-176.7-69-74.5000114.9R72F5-R72 PolarHBondContact O-NH1 2.95Å; F5-R72 VanDerWaalsContact O-NH1 3.11Å
6C58Low73.4Confident111 Ų11194.2 Ų94.275%0.7546%0.46SS*.THydrogen-bonded Turntrans-98.9-6.2-178-680000114.4W4W4-C6 VanDerWaalsContact C-N 3.32Å; W4-C6 PolarHBondContact O-N 3.26Å
7R80.1Confident74.5Confident175 Ų17590.8 Ų90.866%0.6644%0.444SS*.SBendtrans-108.9155.3-175.1-69.5-177.8177.3-173.4-1111.8S3S3-R7 WeakPolarHBondContact O-CG 3.45Å
8S86.1Confident75.5Confident23 Ų2392.2 Ų92.216%0.16145%0.453CS..PPolyproline II helixtrans-70.2152.9166.2500000110.4R72 Q74 T83S8-R72 CarbonylContact C-O 3.56Å; S8-R72 WeakPolarHBondContact CA-O 3.43Å; S8-R72 WeakPolarHBondContact CB-O 3.43Å; S8-Q74 PolarHBondContact OG-NE2 3.39Å; S8-T83 VanDerWaalsContact CB-O 3.28Å; S8-T83 WeakPolarHBondContact CB-O 3.32Å; S8-T83 PolarHBondContact OG-O 2.64Å
9I88Confident76.6Confident11 Ų1189.1 Ų89.16%0.05644%0.436CS..BIsolated β-bridgetrans-102.2124.1-174-62.4168.4000108.1W4 C11 Y16 V69 R72 Q74W4-I9 HydrophobicContact CH2-CD1 4.29Å; I9-C11 PolarHBondContact O-N 3.48Å; I9-Y16 HydrophobicContact CG2-CD2 4.05Å; I9-Y16 HydrophobicContact CG2-CG 4.41Å; I9-V69 HydrophobicContact CD1-CB 4.25Å; I9-V69 HydrophobicContact CD1-CG1 3.99Å; I9-V69 HydrophobicContact CD1-CG2 4.21Å; I9-R72 HydrophobicContact CD1-CB 4.3Å; I9-R72 HydrophobicContact CG1-CB 4.39Å; I9-R72 PolarHBondContact N-O 2.7Å; I9-Q74 WeakPolarHBondContact O-CB 3.23Å; I9-Q74 VanDerWaalsContact O-CG 3.31Å; I9-Q74 WeakPolarHBondContact O-CG 3.42Å; I9-Q74 PolarHBondContact O-N 3.02Å
10D87Confident77.5Confident45 Ų4584.7 Ų84.724%0.24142%0.415CS..PPolyproline II helixtrans-68.5128.5174.9-176.3-0.2000109.9H12 S13 R81D10-H12 PolarHBondContact O-N 3.18Å; D10-H12 IonicContact OD1-CD2 3.92Å; D10-H12 PolarHBondContact OD1-N 2.96Å; D10-S13 WeakPolarHBondContact O-CB 3.04Å; D10-S13 PolarHBondContact O-N 3.34Å; D10-S13 PolarHBondContact O-OG 3.25Å; D10-R81 IonicContact OD2-NH1 3.84Å
11C85.6Confident78.3Confident16 Ų1682.9 Ų82.911%0.10841%0.411CS..THydrogen-bonded Turntrans-63.3-25.5176.161.70000113.4I9 L73 R140I9-C11 PolarHBondContact O-N 3.48Å; C11-L73 HydrophobicContact CB-CD1 3.86Å; C11-L73 HydrophobicContact CB-CG 4.36Å; C11-R140 VanDerWaalsContact C-NH1 3.31Å; C11-R140 VanDerWaalsContact CA-NH1 3.31Å; C11-R140 PolarHBondContact O-NH1 2.8Å
12H84.7Confident81Confident126 Ų12676.2 Ų76.258%0.58338%0.379SS*.THydrogen-bonded Turntrans-93.44.2177.8-62.1-71.1000113.7D10D10-H12 PolarHBondContact O-N 3.18Å; D10-H12 IonicContact OD1-CD2 3.92Å; D10-H12 PolarHBondContact OD1-N 2.96Å
13S89.3Confident83.8Confident22 Ų2266.2 Ų66.215%0.15434%0.335CS..  trans-71.3142.3-179.466.30000112.8D10 E15 Y16 L17D10-S13 WeakPolarHBondContact O-CB 3.04Å; D10-S13 PolarHBondContact O-N 3.34Å; D10-S13 PolarHBondContact O-OG 3.25Å; S13-E15 WeakPolarHBondContact CB-OE2 3.5Å; S13-E15 PolarHBondContact O-N 3.36Å; S13-Y16 PolarHBondContact O-N 3.33Å; S13-Y16 VanDerWaalsContact OG-CB 3.26Å; S13-Y16 WeakPolarHBondContact OG-CB 3.22Å; S13-Y16 PolarHBondContact OG-N 2.91Å; S13-L17 PolarHBondContact O-N 3.2Å; S13-L17 VanDerWaalsContact O-N 3.1Å
14N88.6Confident85.6Confident126 Ų12663.3 Ų63.367%0.67432%0.315SS*.Hα-helixtrans-64-30.7174.5-74.7-25.7000111.5L17 L18N14-L17 PolarHBondContact O-N 3.36Å; N14-L18 WeakPolarHBondContact O-CB 3.46Å; N14-L18 PolarHBondContact O-N 2.88Å
15E90.1Very high87.6Confident115 Ų11563.5 Ų63.554%0.53732%0.324SS..Hα-helixtrans-64-41.2175.3-61.585.3169.600111.5S13 L18 W19S13-E15 WeakPolarHBondContact CB-OE2 3.5Å; S13-E15 PolarHBondContact O-N 3.36Å; E15-L18 PolarHBondContact O-N 2.96Å; E15-W19 WeakPolarHBondContact O-CB 3.24Å; E15-W19 PolarHBondContact O-N 3.12Å
16Y92.4Very high89.6Confident3 Ų358 Ų581%0.01230%0.301CS..Hα-helixtrans-67.3-40.4174-179.2-96.5000111.5I9 S13 L18 W19 L20 V69 L73 E136I9-Y16 HydrophobicContact CG2-CD2 4.05Å; I9-Y16 HydrophobicContact CG2-CG 4.41Å; S13-Y16 PolarHBondContact O-N 3.33Å; S13-Y16 VanDerWaalsContact OG-CB 3.26Å; S13-Y16 WeakPolarHBondContact OG-CB 3.22Å; S13-Y16 PolarHBondContact OG-N 2.91Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.19Å; Y16-W19 PolarHBondContact O-N 3.29Å; Y16-L20 HydrophobicContact CE1-CB 4.28Å; Y16-L20 HydrophobicContact CE1-CD2 3.79Å; Y16-L20 HydrophobicContact CE1-CG 4.47Å; Y16-L20 VanDerWaalsContact O-CB 3.26Å; Y16-L20 WeakPolarHBondContact O-CB 3.4Å; Y16-L20 PolarHBondContact O-N 3.27Å; Y16-V69 HydrophobicContact CD2-CG1 3.66Å; Y16-V69 HydrophobicContact CE2-CG1 3.47Å; Y16-V69 VanDerWaalsContact CE2-CG1 3.47Å; Y16-L73 HydrophobicContact CD2-CD1 3.82Å; Y16-L73 HydrophobicContact CE1-CD1 4.35Å; Y16-L73 HydrophobicContact CE2-CD1 3.6Å; Y16-L73 HydrophobicContact CE2-CD2 4.31Å; Y16-L73 HydrophobicContact CG-CD1 4.24Å; Y16-E136 WeakPolarHBondContact CE1-OE1 3.42Å; Y16-E136 PolarHBondContact OH-OE1 3.42Å
17L92.2Very high91.4Very high36 Ų3654 Ų5419%0.18827%0.271CS..Hα-helixtrans-61-41.1176.1-174.664.7000111.9S13 N14 L20 S21 L137 R140 A144S13-L17 PolarHBondContact O-N 3.2Å; S13-L17 VanDerWaalsContact O-N 3.1Å; N14-L17 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 2.96Å; L17-S21 WeakPolarHBondContact O-CB 3.35Å; L17-S21 PolarHBondContact O-N 3.35Å; L17-S21 PolarHBondContact O-OG 2.97Å; L17-L137 HydrophobicContact CD1-CD1 3.75Å; L17-R140 HydrophobicContact CD1-CB 3.86Å; L17-A144 HydrophobicContact CD2-CB 4.1Å
18L93.4Very high92.1Very high116 Ų11647.4 Ų47.461%0.60725%0.254SS*.Hα-helixtrans-64.7-44.5174.8-178.764000111.7N14 E15 Y16 S21 L22N14-L18 WeakPolarHBondContact O-CB 3.46Å; N14-L18 PolarHBondContact O-N 2.88Å; E15-L18 PolarHBondContact O-N 2.96Å; Y16-L18 VanDerWaalsContact C-N 3.31Å; Y16-L18 PolarHBondContact O-N 3.19Å; L18-S21 WeakPolarHBondContact O-CB 3.4Å; L18-S21 PolarHBondContact O-N 3.01Å; L18-L22 PolarHBondContact O-N 3.4Å; L18-L22 VanDerWaalsContact O-N 3.09Å
19W95.5Very high92.6Very high34 Ų3448.3 Ų48.313%0.12926%0.255CS..Hα-helixtrans-60.8-45.4175.1176.3-95.8000111.9E15 Y16 S21 L22 V23 L61 M64 D65 V69E15-W19 WeakPolarHBondContact O-CB 3.24Å; E15-W19 PolarHBondContact O-N 3.12Å; Y16-W19 PolarHBondContact O-N 3.29Å; W19-S21 PolarHBondContact O-N 2.75Å; W19-L22 WeakPolarHBondContact O-CB 3.33Å; W19-L22 PolarHBondContact O-N 3.12Å; W19-L22 VanDerWaalsContact O-N 3.08Å; W19-V23 HydrophobicContact CZ2-CG2 4.24Å; W19-V23 WeakPolarHBondContact O-CG2 3.2Å; W19-V23 PolarHBondContact O-N 3.31Å; W19-L61 HydrophobicContact CH2-CD2 3.86Å; W19-L61 HydrophobicContact CZ3-CD2 4.19Å; W19-M64 HydrophobicContact CH2-CB 3.76Å; W19-M64 HydrophobicContact CH2-CE 4.02Å; W19-M64 HydrophobicContact CH2-SD 4.48Å; W19-M64 HydrophobicContact CZ2-CB 3.98Å; W19-M64 HydrophobicContact CZ3-CE 4.38Å; W19-D65 HydrophobicContact CZ2-CB 4.03Å; W19-D65 PolarHBondContact NE1-OD1 2.77Å; W19-V69 HydrophobicContact CD2-CG2 3.97Å; W19-V69 HydrophobicContact CG-CG2 4.11Å; W19-V69 HydrophobicContact CZ2-CG2 4.1Å
20L94.8Very high93Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-63.8-33.5178.3-16862.4000111.3Y16 L17 V23 A24 S133 E136 L137Y16-L20 HydrophobicContact CE1-CB 4.28Å; Y16-L20 HydrophobicContact CE1-CD2 3.79Å; Y16-L20 HydrophobicContact CE1-CG 4.47Å; Y16-L20 VanDerWaalsContact O-CB 3.26Å; Y16-L20 WeakPolarHBondContact O-CB 3.4Å; Y16-L20 PolarHBondContact O-N 3.27Å; L17-L20 PolarHBondContact O-N 2.96Å; L20-V23 PolarHBondContact O-N 3.05Å; L20-A24 VanDerWaalsContact O-CB 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 2.96Å; L20-S133 WeakPolarHBondContact CD1-O 3.38Å; L20-E136 HydrophobicContact CD2-CB 4.06Å; L20-E136 HydrophobicContact CD2-CG 3.81Å; L20-L137 HydrophobicContact CB-CD1 4.44Å; L20-L137 VanDerWaalsContact CD2-CA 3.49Å; L20-L137 HydrophobicContact CD2-CB 4.07Å; L20-L137 HydrophobicContact CG-CB 3.98Å; L20-L137 HydrophobicContact CG-CD1 4.38Å
21S94.2Very high93.5Very high48 Ų4846 Ų4634%0.33624%0.243SC..Hα-helixtrans-62.3-42.4171.3-57.90000112.2L17 L18 W19 A24 L25 L137L17-S21 WeakPolarHBondContact O-CB 3.35Å; L17-S21 PolarHBondContact O-N 3.35Å; L17-S21 PolarHBondContact O-OG 2.97Å; L18-S21 WeakPolarHBondContact O-CB 3.4Å; L18-S21 PolarHBondContact O-N 3.01Å; W19-S21 PolarHBondContact O-N 2.75Å; S21-A24 PolarHBondContact O-N 3.29Å; S21-L25 WeakPolarHBondContact O-CB 3.43Å; S21-L25 PolarHBondContact O-N 3.27Å; S21-L137 WeakPolarHBondContact OG-CD1 3.24Å
22L96.5Very high94Very high78 Ų7848 Ų4841%0.40826%0.255SS..Hα-helixtrans-64.2-44.6174.7-67.7171.6000111.8L18 W19 A24 L25 C26L18-L22 PolarHBondContact O-N 3.4Å; L18-L22 VanDerWaalsContact O-N 3.09Å; W19-L22 WeakPolarHBondContact O-CB 3.33Å; W19-L22 PolarHBondContact O-N 3.12Å; W19-L22 VanDerWaalsContact O-N 3.08Å; L22-A24 PolarHBondContact O-N 2.99Å; L22-L25 WeakPolarHBondContact O-CB 3.48Å; L22-L25 PolarHBondContact O-N 3.44Å; L22-C26 PolarHBondContact O-N 2.95Å; L22-C26 VanDerWaalsContact O-N 3.09Å; L22-C26 PolarHBondContact O-SG 3.16Å
23V96.9Very high94.5Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-64.2-40.7177.4175.60000111.4W19 L20 L25 C26 F27 Y62 D65 K130W19-V23 HydrophobicContact CZ2-CG2 4.24Å; W19-V23 WeakPolarHBondContact O-CG2 3.2Å; W19-V23 PolarHBondContact O-N 3.31Å; L20-V23 PolarHBondContact O-N 3.05Å; V23-L25 VanDerWaalsContact C-N 3.35Å; V23-C26 WeakPolarHBondContact O-CB 3.34Å; V23-C26 PolarHBondContact O-N 3.48Å; V23-F27 PolarHBondContact O-N 3.14Å; V23-Y62 HydrophobicContact CG1-CD1 4.22Å; V23-Y62 HydrophobicContact CG1-CE1 4.08Å; V23-D65 HydrophobicContact CG2-CB 4.01Å; V23-K130 HydrophobicContact CG1-CG 4.27Å
24A94.9Very high94.8Very high4 Ų441.6 Ų41.63%0.03322%0.223CC..Hα-helixtrans-66.9-35.1176.200000112.3L20 S21 L22 C26 F27 A28 F134 L137L20-A24 VanDerWaalsContact O-CB 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 2.96Å; S21-A24 PolarHBondContact O-N 3.29Å; L22-A24 PolarHBondContact O-N 2.99Å; A24-C26 VanDerWaalsContact C-N 3.35Å; A24-F27 WeakPolarHBondContact O-CB 3.44Å; A24-F27 PolarHBondContact O-N 2.92Å; A24-A28 PolarHBondContact O-N 2.82Å; A24-F134 HydrophobicContact CB-CD2 4.07Å; A24-L137 HydrophobicContact CB-CB 4.25Å; A24-L137 HydrophobicContact CB-CD2 3.38Å; A24-L137 HydrophobicContact CB-CG 4.43Å
25L95.7Very high95.1Very high118 Ų11836.6 Ų36.662%0.61820%0.198SC*.Hα-helixtrans-62.5-42.1172.7-178.363.6000111.2S21 L22 V23 F27 A28 Y29S21-L25 WeakPolarHBondContact O-CB 3.43Å; S21-L25 PolarHBondContact O-N 3.27Å; L22-L25 WeakPolarHBondContact O-CB 3.48Å; L22-L25 PolarHBondContact O-N 3.44Å; V23-L25 VanDerWaalsContact C-N 3.35Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 3.28Å; L25-A28 PolarHBondContact O-N 3.41Å; L25-Y29 WeakPolarHBondContact O-CB 3.27Å; L25-Y29 PolarHBondContact O-N 3.35Å
26C97.4Very high95.4Very high10 Ų1032.4 Ų32.47%0.06818%0.179CC..Hα-helixtrans-62.3-38.3172.6-67.50000112.4L22 V23 A24 N30 C58 L61 Y62L22-C26 PolarHBondContact O-N 2.95Å; L22-C26 VanDerWaalsContact O-N 3.09Å; L22-C26 PolarHBondContact O-SG 3.16Å; V23-C26 WeakPolarHBondContact O-CB 3.34Å; V23-C26 PolarHBondContact O-N 3.48Å; A24-C26 VanDerWaalsContact C-N 3.35Å; C26-N30 PolarHBondContact O-N 3.4Å; C26-N30 PolarHBondContact O-ND2 2.96Å; C26-N30 VanDerWaalsContact O-ND2 3.11Å; C26-C58 HydrophobicContact CB-CB 3.93Å; C26-C58 VanDerWaalsContact SG-SG 3.61Å; C26-L61 WeakPolarHBondContact SG-CD1 3.43Å; C26-Y62 HydrophobicContact CB-CD1 4.41Å; C26-Y62 HydrophobicContact CB-CE1 3.64Å
27F96.5Very high95.4Very high28 Ų2832.9 Ų32.912%0.12318%0.181CC..Hα-helixtrans-63.8-47.4172.5172.7-94.6000112V23 A24 L25 Y29 N30 A31 Y62 L128 K130 F131 F134V23-F27 PolarHBondContact O-N 3.14Å; A24-F27 WeakPolarHBondContact O-CB 3.44Å; A24-F27 PolarHBondContact O-N 2.92Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 3.28Å; F27-Y29 VanDerWaalsContact C-N 3.3Å; F27-Y29 PolarHBondContact O-N 2.67Å; F27-N30 PolarHBondContact O-N 3.11Å; F27-A31 HydrophobicContact CE1-CB 4.42Å; F27-A31 VanDerWaalsContact O-CB 3.28Å; F27-A31 WeakPolarHBondContact O-CB 3.17Å; F27-A31 PolarHBondContact O-N 2.77Å; F27-Y62 WeakPolarHBondContact CA-OH 3.35Å; F27-Y62 WeakPolarHBondContact CB-OH 3.43Å; F27-Y62 PolarHBondContact N-OH 3.01Å; F27-Y62 VanDerWaalsContact N-OH 3.13Å; F27-L128 HydrophobicContact CE2-CD2 4.42Å; F27-L128 WeakPolarHBondContact CE2-O 3.25Å; F27-K130 HydrophobicContact CD2-CB 4.17Å; F27-F131 HydrophobicContact CE2-CB 3.89Å; F27-F131 HydrophobicContact CZ-CB 3.93Å; F27-F134 HydrophobicContact CD1-CB 3.55Å; F27-F134 HydrophobicContact CD1-CD1 4.38Å; F27-F134 AromaticContact CD1-CD2 3.38Å; F27-F134 HydrophobicContact CD1-CD2 3.38Å; F27-F134 HydrophobicContact CD1-CE2 4.1Å; F27-F134 AromaticContact CD1-CG 3.52Å; F27-F134 HydrophobicContact CD1-CG 3.52Å; F27-F134 HydrophobicContact CE1-CB 3.87Å; F27-F134 HydrophobicContact CE1-CD1 4.1Å; F27-F134 AromaticContact CE1-CD2 3.86Å; F27-F134 HydrophobicContact CE1-CD2 3.86Å; F27-F134 HydrophobicContact CE1-CE2 4.36Å; F27-F134 AromaticContact CE1-CG 3.68Å; F27-F134 HydrophobicContact CE1-CG 3.68Å; F27-F134 HydrophobicContact CG-CB 4.05Å; F27-F134 HydrophobicContact CG-CD2 4.4Å; F27-F134 HydrophobicContact CG-CG 4.46Å
28A95.3Very high95.5Very high37 Ų3733.1 Ų33.131%0.30619%0.186SC..Hα-helixtrans-60.6-40.6177.600000111.8A24 L25 A31 V32A24-A28 PolarHBondContact O-N 2.82Å; L25-A28 PolarHBondContact O-N 3.41Å; A28-A31 PolarHBondContact O-N 3.48Å; A28-V32 WeakPolarHBondContact O-CG2 3.49Å; A28-V32 PolarHBondContact O-N 2.99Å; A28-V32 VanDerWaalsContact O-N 3.08Å
29Y96.6Very high95.5Very high42 Ų4228.2 Ų28.217%0.16516%0.161CC..Hα-helixtrans-56.1-56.6171.4171.4-92.3000111L25 F27 A31 V32 V33 F54L25-Y29 WeakPolarHBondContact O-CB 3.27Å; L25-Y29 PolarHBondContact O-N 3.35Å; F27-Y29 VanDerWaalsContact C-N 3.3Å; F27-Y29 PolarHBondContact O-N 2.67Å; Y29-A31 VanDerWaalsContact C-N 3.31Å; Y29-A31 PolarHBondContact O-N 2.94Å; Y29-V32 PolarHBondContact O-N 2.99Å; Y29-V33 HydrophobicContact CD2-CG2 3.73Å; Y29-V33 HydrophobicContact CE1-CB 4.32Å; Y29-V33 HydrophobicContact CE1-CG1 4.29Å; Y29-V33 HydrophobicContact CE1-CG2 4.49Å; Y29-V33 HydrophobicContact CE2-CB 4.26Å; Y29-V33 HydrophobicContact CE2-CG1 4.33Å; Y29-V33 HydrophobicContact CE2-CG2 3.6Å; Y29-V33 HydrophobicContact CG-CG2 4.26Å; Y29-V33 WeakPolarHBondContact O-CB 3.28Å; Y29-V33 VanDerWaalsContact O-CG2 3.28Å; Y29-V33 WeakPolarHBondContact O-CG2 3.45Å; Y29-V33 PolarHBondContact O-N 3.23Å; Y29-F54 HydrophobicContact CE1-CB 4.26Å; Y29-F54 HydrophobicContact CE2-CB 3.89Å; Y29-F54 HydrophobicContact CE2-CG 4.4Å; Y29-F54 VanDerWaalsContact OH-CB 3.29Å; Y29-F54 WeakPolarHBondContact OH-CB 3.42Å
30N96.5Very high95.3Very high0 Ų026.9 Ų26.90%016%0.156CC..Hα-helixtrans-60.5-41.1-179.7-77.3-48.1000111.8C26 F27 V32 I34 Y62 R127 L128C26-N30 PolarHBondContact O-N 3.4Å; C26-N30 PolarHBondContact O-ND2 2.96Å; C26-N30 VanDerWaalsContact O-ND2 3.11Å; F27-N30 PolarHBondContact O-N 3.11Å; N30-V32 VanDerWaalsContact C-N 3.35Å; N30-V32 PolarHBondContact O-N 3.18Å; N30-I34 HydrophobicContact CB-CD1 3.88Å; N30-I34 VanDerWaalsContact O-CB 3.29Å; N30-I34 WeakPolarHBondContact O-CB 3.41Å; N30-I34 VanDerWaalsContact O-CD1 3.32Å; N30-I34 WeakPolarHBondContact O-CD1 3.48Å; N30-I34 WeakPolarHBondContact O-CG1 3.42Å; N30-I34 PolarHBondContact O-N 2.91Å; N30-Y62 PolarHBondContact ND2-OH 3Å; N30-R127 HydrophobicContact CB-CB 4.37Å; N30-L128 HydrophobicContact CB-CD2 4.21Å
31A96.3Very high94.9Very high6 Ų632.4 Ų32.45%0.0519%0.189CC..Hα-helixtrans-59.2-42.5179.300000112.4F27 A28 Y29 P35 L128 Y162F27-A31 HydrophobicContact CE1-CB 4.42Å; F27-A31 VanDerWaalsContact O-CB 3.28Å; F27-A31 WeakPolarHBondContact O-CB 3.17Å; F27-A31 PolarHBondContact O-N 2.77Å; A28-A31 PolarHBondContact O-N 3.48Å; Y29-A31 VanDerWaalsContact C-N 3.31Å; Y29-A31 PolarHBondContact O-N 2.94Å; A31-P35 WeakPolarHBondContact O-CD 3.2Å; A31-P35 VanDerWaalsContact O-CG 3.26Å; A31-P35 WeakPolarHBondContact O-CG 3.37Å; A31-L128 VanDerWaalsContact CA-CD2 3.49Å; A31-L128 HydrophobicContact CB-CD2 4.05Å; A31-Y162 HydrophobicContact CB-CD2 4.48Å; A31-Y162 HydrophobicContact CB-CE2 3.93Å; A31-Y162 WeakPolarHBondContact O-CE2 3.37Å
32V96Very high94.6Very high59 Ų5932.4 Ų32.436%0.35819%0.187SC..Hα-helixtrans-83.9-43.5179.5175.60000111.6A28 Y29 N30 L36 H165A28-V32 WeakPolarHBondContact O-CG2 3.49Å; A28-V32 PolarHBondContact O-N 2.99Å; A28-V32 VanDerWaalsContact O-N 3.08Å; Y29-V32 PolarHBondContact O-N 2.99Å; N30-V32 VanDerWaalsContact C-N 3.35Å; N30-V32 PolarHBondContact O-N 3.18Å; V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.18Å; V32-H165 PolarHBondContact O-NE2 3.33Å
33V95.4Very high94.1Very high13 Ų1330.9 Ų30.98%0.07918%0.178CC..Hα-helixtrans-76.1-33.5-168.71710000112.5Y29 R37 W51Y29-V33 HydrophobicContact CD2-CG2 3.73Å; Y29-V33 HydrophobicContact CE1-CB 4.32Å; Y29-V33 HydrophobicContact CE1-CG1 4.29Å; Y29-V33 HydrophobicContact CE1-CG2 4.49Å; Y29-V33 HydrophobicContact CE2-CB 4.26Å; Y29-V33 HydrophobicContact CE2-CG1 4.33Å; Y29-V33 HydrophobicContact CE2-CG2 3.6Å; Y29-V33 HydrophobicContact CG-CG2 4.26Å; Y29-V33 WeakPolarHBondContact O-CB 3.28Å; Y29-V33 VanDerWaalsContact O-CG2 3.28Å; Y29-V33 WeakPolarHBondContact O-CG2 3.45Å; Y29-V33 PolarHBondContact O-N 3.23Å; V33-R37 HydrophobicContact CG1-CG 4.04Å; V33-R37 WeakPolarHBondContact O-CB 3.36Å; V33-R37 WeakPolarHBondContact O-CG 3.13Å; V33-R37 PolarHBondContact O-N 3.18Å; V33-W51 HydrophobicContact CG1-CE3 3.84Å; V33-W51 HydrophobicContact CG1-CZ3 3.65Å; V33-W51 HydrophobicContact CG2-CZ3 4.09Å
34I95.1Very high93.7Very high0 Ų037.4 Ų37.40%021%0.206CC..Hα-helixtrans-65.6-53.4179.8-63.3164.1000111.2N30 L36 R37 S38 R124 L125 R127 L128N30-I34 HydrophobicContact CB-CD1 3.88Å; N30-I34 VanDerWaalsContact O-CB 3.29Å; N30-I34 WeakPolarHBondContact O-CB 3.41Å; N30-I34 VanDerWaalsContact O-CD1 3.32Å; N30-I34 WeakPolarHBondContact O-CD1 3.48Å; N30-I34 WeakPolarHBondContact O-CG1 3.42Å; N30-I34 PolarHBondContact O-N 2.91Å; I34-L36 VanDerWaalsContact C-N 3.35Å; I34-L36 PolarHBondContact O-N 2.99Å; I34-R37 PolarHBondContact O-N 3.4Å; I34-S38 VanDerWaalsContact O-CB 3.25Å; I34-S38 WeakPolarHBondContact O-CB 3.23Å; I34-S38 PolarHBondContact O-N 3.24Å; I34-S38 PolarHBondContact O-OG 3.15Å; I34-R124 HydrophobicContact CD1-CB 3.98Å; I34-R124 VanDerWaalsContact CD1-O 3.26Å; I34-R124 WeakPolarHBondContact CD1-O 3.39Å; I34-R124 HydrophobicContact CG1-CB 4.15Å; I34-L125 HydrophobicContact CG2-CD2 3.77Å; I34-L125 HydrophobicContact CG2-CG 4.21Å; I34-R127 HydrophobicContact CD1-CB 4.47Å; I34-L128 HydrophobicContact CD1-CD2 4.26Å; I34-L128 HydrophobicContact CD1-CG 4.41Å
35P95.4Very high93.3Very high22 Ų2242.8 Ų42.814%0.14324%0.244CC..Hα-helixtrans-62-40.7175.2-22.835.4000112.6A31 R37 S38 S39 C169A31-P35 WeakPolarHBondContact O-CD 3.2Å; A31-P35 VanDerWaalsContact O-CG 3.26Å; A31-P35 WeakPolarHBondContact O-CG 3.37Å; P35-R37 PolarHBondContact O-N 3.03Å; P35-S38 PolarHBondContact O-N 3.25Å; P35-S39 VanDerWaalsContact O-CB 3.32Å; P35-S39 WeakPolarHBondContact O-CB 3.48Å; P35-S39 PolarHBondContact O-N 3.15Å; P35-S39 PolarHBondContact O-OG 3.35Å; P35-C169 HydrophobicContact CB-CB 4.32Å
36L95.6Very high93Very high26 Ų2641.7 Ų41.714%0.13625%0.246CC..Hα-helixtrans-56.4-53.4177.7-178.868.5000111.7V32 I34 S38 S39 F40 V42 Y194V32-L36 WeakPolarHBondContact O-CB 3.32Å; V32-L36 PolarHBondContact O-N 3.18Å; I34-L36 VanDerWaalsContact C-N 3.35Å; I34-L36 PolarHBondContact O-N 2.99Å; L36-S38 VanDerWaalsContact C-N 3.33Å; L36-S39 PolarHBondContact O-N 3.21Å; L36-F40 HydrophobicContact CD1-CD2 3.77Å; L36-F40 HydrophobicContact CD1-CE2 4.38Å; L36-F40 HydrophobicContact CD1-CG 4.41Å; L36-F40 WeakPolarHBondContact O-CB 3.48Å; L36-F40 PolarHBondContact O-N 3Å; L36-V42 HydrophobicContact CD1-CG2 4.45Å; L36-V42 HydrophobicContact CG-CG2 4.38Å; L36-Y194 HydrophobicContact CD1-CD2 3.48Å; L36-Y194 VanDerWaalsContact CD1-CD2 3.48Å; L36-Y194 HydrophobicContact CD1-CE2 3.69Å; L36-Y194 HydrophobicContact CD1-CG 4.23Å
37R94Very high92.9Very high14 Ų1443 Ų435%0.05325%0.252CS..Hα-helixtrans-73.1-25.6-178.6-69.8165.761.3-167.52.1112.9V33 I34 P35 Q43 D55 P121V33-R37 HydrophobicContact CG1-CG 4.04Å; V33-R37 WeakPolarHBondContact O-CB 3.36Å; V33-R37 WeakPolarHBondContact O-CG 3.13Å; V33-R37 PolarHBondContact O-N 3.18Å; I34-R37 PolarHBondContact O-N 3.4Å; P35-R37 PolarHBondContact O-N 3.03Å; R37-Q43 VanDerWaalsContact CZ-OE1 3.29Å; R37-D55 IonicContact CZ-OD2 2.64Å; R37-D55 VanDerWaalsContact NH1-CG 3.3Å; R37-D55 IonicContact NH1-OD1 3.91Å; R37-D55 PolarHBondContact NH1-OD1 2.77Å; R37-D55 VanDerWaalsContact NH1-OD1 3.14Å; R37-D55 IonicContact NH1-OD2 2.72Å; R37-D55 PolarHBondContact NH1-OD2 3.49Å; R37-D55 IonicContact NH2-OD2 2.77Å; R37-D55 PolarHBondContact NH2-OD2 2.8Å; R37-P121 HydrophobicContact CB-CB 3.83Å; R37-P121 HydrophobicContact CB-CG 3.56Å
38S93.1Very high92.6Very high41 Ų4143 Ų4329%0.28725%0.254SS..Hα-helixtrans-74.7-30.8176.3-59.30000112I34 P35 L36I34-S38 VanDerWaalsContact O-CB 3.25Å; I34-S38 WeakPolarHBondContact O-CB 3.23Å; I34-S38 PolarHBondContact O-N 3.24Å; I34-S38 PolarHBondContact O-OG 3.15Å; P35-S38 PolarHBondContact O-N 3.25Å; L36-S38 VanDerWaalsContact C-N 3.33Å
39S93.5Very high92.5Very high13 Ų1345.4 Ų45.49%0.09127%0.268CS..Hα-helixtrans-97-51.5-175.2-490000111.6P35 L36 C169 Y172 L173P35-S39 VanDerWaalsContact O-CB 3.32Å; P35-S39 WeakPolarHBondContact O-CB 3.48Å; P35-S39 PolarHBondContact O-N 3.15Å; P35-S39 PolarHBondContact O-OG 3.35Å; L36-S39 PolarHBondContact O-N 3.21Å; S39-C169 VanDerWaalsContact OG-CB 3.29Å; S39-C169 WeakPolarHBondContact OG-CB 3.33Å; S39-Y172 WeakPolarHBondContact O-CD1 3.48Å; S39-Y172 WeakPolarHBondContact O-CE1 3.47Å; S39-L173 WeakPolarHBondContact OG-CD1 3.46Å
40F92.4Very high92.4Very high5 Ų550.8 Ų50.82%0.02229%0.289CS..SBendtrans-97.6143.3-175.2-60.6-87.4000111.2L36 V42 C169 Y172 P193 Y194 C197L36-F40 HydrophobicContact CD1-CD2 3.77Å; L36-F40 HydrophobicContact CD1-CE2 4.38Å; L36-F40 HydrophobicContact CD1-CG 4.41Å; L36-F40 WeakPolarHBondContact O-CB 3.48Å; L36-F40 PolarHBondContact O-N 3Å; F40-V42 HydrophobicContact CB-CG2 3.69Å; F40-V42 PolarHBondContact O-N 3.34Å; F40-C169 HydrophobicContact CE2-CB 4.41Å; F40-Y172 AromaticContact CD1-CD1 3.66Å; F40-Y172 HydrophobicContact CD1-CD1 3.66Å; F40-Y172 AromaticContact CD1-CD2 3.91Å; F40-Y172 HydrophobicContact CD1-CD2 3.91Å; F40-Y172 AromaticContact CD1-CE1 3.93Å; F40-Y172 HydrophobicContact CD1-CE1 3.93Å; F40-Y172 HydrophobicContact CD1-CE2 4.17Å; F40-Y172 AromaticContact CD1-CG 3.63Å; F40-Y172 HydrophobicContact CD1-CG 3.63Å; F40-Y172 VanDerWaalsContact CE1-CB 3.49Å; F40-Y172 AromaticContact CE1-CD1 3.84Å; F40-Y172 HydrophobicContact CE1-CD1 3.84Å; F40-Y172 AromaticContact CE1-CD2 3.57Å; F40-Y172 HydrophobicContact CE1-CD2 3.57Å; F40-Y172 HydrophobicContact CE1-CE1 4.47Å; F40-Y172 HydrophobicContact CE1-CE2 4.25Å; F40-Y172 AromaticContact CE1-CG 3.32Å; F40-Y172 HydrophobicContact CE1-CG 3.32Å; F40-Y172 HydrophobicContact CG-CD1 4.14Å; F40-Y172 HydrophobicContact CG-CE1 4.44Å; F40-Y172 HydrophobicContact CG-CG 4.45Å; F40-Y172 HydrophobicContact CZ-CD1 4.46Å; F40-Y172 HydrophobicContact CZ-CD2 4.5Å; F40-Y172 AromaticContact CZ-CG 3.94Å; F40-Y172 HydrophobicContact CZ-CG 3.94Å; F40-P193 HydrophobicContact CD1-CB 4.06Å; F40-P193 HydrophobicContact CD1-CG 4.31Å; F40-P193 HydrophobicContact CE1-CB 4.15Å; F40-Y194 HydrophobicContact CD2-CD2 4.13Å; F40-Y194 AromaticContact CE2-CD2 3.7Å; F40-Y194 HydrophobicContact CE2-CD2 3.7Å; F40-Y194 HydrophobicContact CE2-CE2 4.4Å; F40-Y194 AromaticContact CZ-CD2 3.94Å; F40-Y194 HydrophobicContact CZ-CD2 3.94Å; F40-C197 HydrophobicContact CE1-CB 4.23Å; F40-C197 HydrophobicContact CZ-CB 3.97Å
41V86.2Confident92.2Very high116 Ų11652.9 Ų52.970%0.70330%0.297SS*.THydrogen-bonded Turntrans-78.157177.2-164.20000111.1
42V87.6Confident92.1Very high49 Ų4954.5 Ų54.530%0.29731%0.305SS..THydrogen-bonded Turntrans-83.4-28.8178.9-175.90000111L36 F40 K44 N47 W51L36-V42 HydrophobicContact CD1-CG2 4.45Å; L36-V42 HydrophobicContact CG-CG2 4.38Å; F40-V42 HydrophobicContact CB-CG2 3.69Å; F40-V42 PolarHBondContact O-N 3.34Å; V42-K44 PolarHBondContact O-N 3.3Å; V42-N47 PolarHBondContact O-ND2 2.86Å; V42-W51 HydrophobicContact CG1-CZ2 3.92Å
43Q86.1Confident92Very high46 Ų4656.8 Ų56.822%0.21531%0.314CS..  trans-79.3109178.8-172.5176.5-55.800110.3R37 L48 F119R37-Q43 VanDerWaalsContact CZ-OE1 3.29Å; Q43-L48 HydrophobicContact CG-CD1 3.88Å; Q43-F119 PolarHBondContact NE2-O 3.44Å
44K87.7Confident92.1Very high136 Ų13661.4 Ų61.459%0.59133%0.334SS*.  trans-112.8163.2175.3-63.6-179.6-179.6179.90109.2V42 S46 N47 L48V42-K44 PolarHBondContact O-N 3.3Å; K44-S46 PolarHBondContact O-N 2.85Å; K44-N47 PolarHBondContact N-OD1 3.46Å; K44-N47 PolarHBondContact O-N 3.11Å; K44-N47 PolarHBondContact O-OD1 2.64Å; K44-L48 WeakPolarHBondContact O-CB 3.42Å; K44-L48 PolarHBondContact O-N 2.7Å; K44-L48 VanDerWaalsContact O-N 3.1Å
45S86Confident92.1Very high118 Ų11861.6 Ų61.683%0.82533%0.334SS*.THydrogen-bonded Turntrans-57-34.1176.651.60000112.9
46S91.4Very high92.1Very high94 Ų9466 Ų6666%0.65735%0.349SS*.THydrogen-bonded Turntrans-71.8-31.1-179580000114.7K44K44-S46 PolarHBondContact O-N 2.85Å
47N93.2Very high92.1Very high37 Ų3767.9 Ų67.920%0.19836%0.361CS..THydrogen-bonded Turntrans-105.6-3.5-176.7704.4000113.8V42 K44 S49 Y50 W51V42-N47 PolarHBondContact O-ND2 2.86Å; K44-N47 PolarHBondContact N-OD1 3.46Å; K44-N47 PolarHBondContact O-N 3.11Å; K44-N47 PolarHBondContact O-OD1 2.64Å; N47-S49 VanDerWaalsContact C-N 3.28Å; N47-S49 PolarHBondContact O-N 3.3Å; N47-Y50 HydrophobicContact CB-CD2 4.39Å; N47-Y50 PolarHBondContact O-N 2.7Å; N47-Y50 VanDerWaalsContact O-N 3.13Å; N47-W51 PolarHBondContact ND2-NE1 3.41Å; N47-W51 PolarHBondContact O-N 2.86Å; N47-W51 PolarHBondContact OD1-NE1 2.97Å
48L91.7Very high92.3Very high30 Ų3067.5 Ų67.516%0.15736%0.361CS..Hα-helixtrans-53.7-42.7-177.4-179.962.3000112.8Q43 K44 Y50 W51 I52 F119Q43-L48 HydrophobicContact CG-CD1 3.88Å; K44-L48 WeakPolarHBondContact O-CB 3.42Å; K44-L48 PolarHBondContact O-N 2.7Å; K44-L48 VanDerWaalsContact O-N 3.1Å; L48-Y50 VanDerWaalsContact C-N 3.29Å; L48-Y50 PolarHBondContact O-N 2.72Å; L48-W51 PolarHBondContact O-N 2.93Å; L48-I52 HydrophobicContact CD1-CD1 3.89Å; L48-I52 HydrophobicContact CD1-CG1 4.16Å; L48-I52 HydrophobicContact CD2-CD1 4.33Å; L48-I52 HydrophobicContact CG-CD1 3.72Å; L48-I52 HydrophobicContact CG-CG1 4.37Å; L48-I52 WeakPolarHBondContact O-CG1 3.12Å; L48-I52 PolarHBondContact O-N 3.2Å; L48-F119 HydrophobicContact CD1-CB 4.25Å; L48-F119 HydrophobicContact CD1-CD1 4.29Å; L48-F119 HydrophobicContact CD1-CD2 4.31Å; L48-F119 HydrophobicContact CD1-CG 4.04Å; L48-F119 HydrophobicContact CD2-CD2 3.73Å; L48-F119 HydrophobicContact CD2-CE1 4.49Å; L48-F119 HydrophobicContact CD2-CE2 3.61Å; L48-F119 HydrophobicContact CD2-CG 4.25Å; L48-F119 HydrophobicContact CD2-CZ 4.03Å
49S92.1Very high92.5Very high87 Ų8766.4 Ų66.461%0.60835%0.352SS*.Hα-helixtrans-60.2-37.9-179-53.90000112.7N47 L53N47-S49 VanDerWaalsContact C-N 3.28Å; N47-S49 PolarHBondContact O-N 3.3Å; S49-L53 WeakPolarHBondContact O-CB 3.37Å; S49-L53 PolarHBondContact O-N 2.96Å
50Y94.3Very high92.6Very high155 Ų15570.6 Ų70.661%0.60837%0.373SS*.Hα-helixtrans-67.3-43.8177.7-60.3-68.5000111.4N47 L48 I52 L53 F54N47-Y50 HydrophobicContact CB-CD2 4.39Å; N47-Y50 PolarHBondContact O-N 2.7Å; N47-Y50 VanDerWaalsContact O-N 3.13Å; L48-Y50 VanDerWaalsContact C-N 3.29Å; L48-Y50 PolarHBondContact O-N 2.72Å; Y50-I52 VanDerWaalsContact C-N 3.35Å; Y50-I52 PolarHBondContact O-N 3.3Å; Y50-L53 PolarHBondContact O-N 2.94Å; Y50-F54 WeakPolarHBondContact O-CD2 3.45Å; Y50-F54 PolarHBondContact O-N 3.32Å; Y50-F54 VanDerWaalsContact O-N 3.1Å
51W93.9Very high92.9Very high44 Ų4472.1 Ų72.117%0.16738%0.381CS..Hα-helixtrans-59.5-47.3177.1-65.5115000111.7V33 V42 N47 L48 L53 F54 D55V33-W51 HydrophobicContact CG1-CE3 3.84Å; V33-W51 HydrophobicContact CG1-CZ3 3.65Å; V33-W51 HydrophobicContact CG2-CZ3 4.09Å; V42-W51 HydrophobicContact CG1-CZ2 3.92Å; N47-W51 PolarHBondContact ND2-NE1 3.41Å; N47-W51 PolarHBondContact O-N 2.86Å; N47-W51 PolarHBondContact OD1-NE1 2.97Å; L48-W51 PolarHBondContact O-N 2.93Å; W51-L53 VanDerWaalsContact C-N 3.32Å; W51-L53 PolarHBondContact O-N 3.45Å; W51-F54 PolarHBondContact O-N 3.44Å; W51-D55 VanDerWaalsContact O-CB 3.26Å; W51-D55 WeakPolarHBondContact O-CB 3.41Å; W51-D55 PolarHBondContact O-N 2.85Å
52I92.4Very high93.4Very high40 Ų4066.6 Ų66.621%0.20535%0.347CS..Hα-helixtrans-61.6-40.7178.6-69.2175.3000111.5L48 Y50 Y56 F119L48-I52 HydrophobicContact CD1-CD1 3.89Å; L48-I52 HydrophobicContact CD1-CG1 4.16Å; L48-I52 HydrophobicContact CD2-CD1 4.33Å; L48-I52 HydrophobicContact CG-CD1 3.72Å; L48-I52 HydrophobicContact CG-CG1 4.37Å; L48-I52 WeakPolarHBondContact O-CG1 3.12Å; L48-I52 PolarHBondContact O-N 3.2Å; Y50-I52 VanDerWaalsContact C-N 3.35Å; Y50-I52 PolarHBondContact O-N 3.3Å; I52-Y56 HydrophobicContact CG2-CD2 3.47Å; I52-Y56 VanDerWaalsContact CG2-CD2 3.47Å; I52-Y56 HydrophobicContact CG2-CE2 3.34Å; I52-Y56 WeakPolarHBondContact O-CD2 3.46Å; I52-Y56 PolarHBondContact O-N 3.25Å; I52-F119 HydrophobicContact CD1-CD1 3.91Å; I52-F119 HydrophobicContact CD1-CE1 3.51Å; I52-F119 HydrophobicContact CD1-CZ 4.19Å
53L95.2Very high93.8Very high107 Ų10768.5 Ų68.556%0.5636%0.355SS*.Hα-helixtrans-59.9-52.7177178.465.9000111.2S49 Y50 W51 D55 Y56 V57S49-L53 WeakPolarHBondContact O-CB 3.37Å; S49-L53 PolarHBondContact O-N 2.96Å; Y50-L53 PolarHBondContact O-N 2.94Å; W51-L53 VanDerWaalsContact C-N 3.32Å; W51-L53 PolarHBondContact O-N 3.45Å; L53-D55 PolarHBondContact O-N 3.09Å; L53-Y56 PolarHBondContact O-N 2.84Å; L53-V57 HydrophobicContact CD1-CG2 4.36Å; L53-V57 WeakPolarHBondContact O-CB 3.35Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.16Å
54F96.2Very high94.3Very high110 Ų11069.3 Ų69.348%0.48236%0.36SS..Hα-helixtrans-65.5-38.3-179.6-74.5-66.7000112.7Y29 Y50 W51 V57 C58Y29-F54 HydrophobicContact CE1-CB 4.26Å; Y29-F54 HydrophobicContact CE2-CB 3.89Å; Y29-F54 HydrophobicContact CE2-CG 4.4Å; Y29-F54 VanDerWaalsContact OH-CB 3.29Å; Y29-F54 WeakPolarHBondContact OH-CB 3.42Å; Y50-F54 WeakPolarHBondContact O-CD2 3.45Å; Y50-F54 PolarHBondContact O-N 3.32Å; Y50-F54 VanDerWaalsContact O-N 3.1Å; W51-F54 PolarHBondContact O-N 3.44Å; F54-V57 PolarHBondContact O-N 2.78Å; F54-C58 PolarHBondContact O-N 3.17Å; F54-C58 PolarHBondContact O-SG 2.99Å
55D95.4Very high94.7Very high3 Ų362.9 Ų62.92%0.01633%0.332CS..Hα-helixtrans-54.9-53174.2-82.8-20.6000111.2R37 W51 L53 C58 D59 R124R37-D55 IonicContact CZ-OD2 2.64Å; R37-D55 VanDerWaalsContact NH1-CG 3.3Å; R37-D55 IonicContact NH1-OD1 3.91Å; R37-D55 PolarHBondContact NH1-OD1 2.77Å; R37-D55 VanDerWaalsContact NH1-OD1 3.14Å; R37-D55 IonicContact NH1-OD2 2.72Å; R37-D55 PolarHBondContact NH1-OD2 3.49Å; R37-D55 IonicContact NH2-OD2 2.77Å; R37-D55 PolarHBondContact NH2-OD2 2.8Å; W51-D55 VanDerWaalsContact O-CB 3.26Å; W51-D55 WeakPolarHBondContact O-CB 3.41Å; W51-D55 PolarHBondContact O-N 2.85Å; L53-D55 PolarHBondContact O-N 3.09Å; D55-C58 PolarHBondContact O-N 2.76Å; D55-D59 PolarHBondContact O-N 3.41Å; D55-R124 PolarHBondContact O-NH2 3.37Å; D55-R124 IonicContact OD1-CZ 3.17Å; D55-R124 IonicContact OD1-NE 2.7Å; D55-R124 PolarHBondContact OD1-NE 3.34Å; D55-R124 VanDerWaalsContact OD1-NE 3.17Å; D55-R124 IonicContact OD1-NH2 3.97Å; D55-R124 IonicContact OD2-NE 3.75Å
56Y95.3Very high95.1Very high114 Ų11458 Ų5845%0.44730%0.297SS..Hα-helixtrans-75.9-26.6-178.2-69.7-52.3000113.8I52 L53 C58 D59 L60I52-Y56 HydrophobicContact CG2-CD2 3.47Å; I52-Y56 VanDerWaalsContact CG2-CD2 3.47Å; I52-Y56 HydrophobicContact CG2-CE2 3.34Å; I52-Y56 WeakPolarHBondContact O-CD2 3.46Å; I52-Y56 PolarHBondContact O-N 3.25Å; L53-Y56 PolarHBondContact O-N 2.84Å; Y56-C58 VanDerWaalsContact C-N 3.33Å; Y56-D59 PolarHBondContact O-N 3.17Å; Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 PolarHBondContact O-N 3.43Å
57V97.3Very high95.2Very high66 Ų6657.5 Ų57.540%0.429%0.289SS..Hα-helixtrans-62.7-42.6169.3167.50000110.4L53 F54 L60 L61L53-V57 HydrophobicContact CD1-CG2 4.36Å; L53-V57 WeakPolarHBondContact O-CB 3.35Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 3.16Å; F54-V57 PolarHBondContact O-N 2.78Å; V57-L60 PolarHBondContact O-N 3.32Å; V57-L61 HydrophobicContact CG1-CD1 4.18Å; V57-L61 WeakPolarHBondContact O-CG 3.44Å; V57-L61 PolarHBondContact O-N 3.21Å
58C97.2Very high95.1Very high7 Ų757.7 Ų57.75%0.04729%0.29CS..Hα-helixtrans-64.7-43.1175.2-65.80000111.9C26 F54 D55 Y56 L60 L61 Y62C26-C58 HydrophobicContact CB-CB 3.93Å; C26-C58 VanDerWaalsContact SG-SG 3.61Å; F54-C58 PolarHBondContact O-N 3.17Å; F54-C58 PolarHBondContact O-SG 2.99Å; D55-C58 PolarHBondContact O-N 2.76Å; Y56-C58 VanDerWaalsContact C-N 3.33Å; C58-L60 VanDerWaalsContact C-N 3.33Å; C58-L60 PolarHBondContact O-N 3.17Å; C58-L61 PolarHBondContact O-N 3.16Å; C58-Y62 PolarHBondContact O-N 3.27Å
59D96.3Very high95.2Very high18 Ų1856.4 Ų56.410%0.09628%0.283CS..Hα-helixtrans-62.9-40.1177.7-67.4-13.1000111.4D55 Y56 Y62 L63 R124 R127D55-D59 PolarHBondContact O-N 3.41Å; Y56-D59 PolarHBondContact O-N 3.17Å; D59-Y62 PolarHBondContact O-N 3.16Å; D59-L63 PolarHBondContact O-N 3.06Å; D59-R124 VanDerWaalsContact CG-NH2 3.32Å; D59-R124 IonicContact OD1-CZ 2.78Å; D59-R124 IonicContact OD1-NH1 3.22Å; D59-R124 IonicContact OD1-NH2 3.91Å; D59-R124 PolarHBondContact OD1-NH2 3.41Å; D59-R124 IonicContact OD2-CZ 3.96Å; D59-R124 IonicContact OD2-NH1 3.71Å; D59-R124 PolarHBondContact OD2-NH1 3.29Å; D59-R124 IonicContact OD2-NH2 3.15Å; D59-R124 PolarHBondContact OD2-NH2 2.94Å; D59-R127 IonicContact OD1-NE 3.17Å; D59-R127 PolarHBondContact OD1-NE 3.1Å; D59-R127 IonicContact OD1-NH2 2.81Å; D59-R127 IonicContact OD2-CZ 2.72Å; D59-R127 IonicContact OD2-NE 3.4Å; D59-R127 IonicContact OD2-NH2 3.99Å; D59-R127 PolarHBondContact OD2-NH2 3.3Å; D59-R127 VanDerWaalsContact OD2-NH2 3.15Å
60L96.9Very high95.3Very high101 Ų10152.7 Ų52.753%0.52926%0.257SS..Hα-helixtrans-62.4-44.4174.8-179.865.3000111.4Y56 V57 C58 Y62 L63 M64Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 PolarHBondContact O-N 3.43Å; V57-L60 PolarHBondContact O-N 3.32Å; C58-L60 VanDerWaalsContact C-N 3.33Å; C58-L60 PolarHBondContact O-N 3.17Å; L60-Y62 VanDerWaalsContact C-N 3.33Å; L60-Y62 PolarHBondContact O-N 3.23Å; L60-L63 PolarHBondContact O-N 2.81Å; L60-M64 HydrophobicContact CG-SD 4.2Å; L60-M64 WeakPolarHBondContact O-CB 3.4Å; L60-M64 VanDerWaalsContact O-CG 3.31Å; L60-M64 WeakPolarHBondContact O-CG 3.35Å; L60-M64 PolarHBondContact O-N 3.15Å
61L97.4Very high95.2Very high36 Ų3645.8 Ų45.819%0.18823%0.23CC..Hα-helixtrans-64.6-37.2177.7-73.8170.4000112W19 C26 V57 C58 M64 D65W19-L61 HydrophobicContact CH2-CD2 3.86Å; W19-L61 HydrophobicContact CZ3-CD2 4.19Å; C26-L61 WeakPolarHBondContact SG-CD1 3.43Å; V57-L61 HydrophobicContact CG1-CD1 4.18Å; V57-L61 WeakPolarHBondContact O-CG 3.44Å; V57-L61 PolarHBondContact O-N 3.21Å; C58-L61 PolarHBondContact O-N 3.16Å; L61-M64 PolarHBondContact O-N 3.22Å; L61-D65 WeakPolarHBondContact O-CB 3.15Å; L61-D65 PolarHBondContact O-N 2.94Å
62Y97.1Very high95.1Very high0 Ų044.7 Ų44.70%023%0.226CC..Hα-helixtrans-65.2-40.9173.2-75.85.4000112.4V23 C26 F27 N30 C58 D59 L60 D65 I66 L105 R127 K130V23-Y62 HydrophobicContact CG1-CD1 4.22Å; V23-Y62 HydrophobicContact CG1-CE1 4.08Å; C26-Y62 HydrophobicContact CB-CD1 4.41Å; C26-Y62 HydrophobicContact CB-CE1 3.64Å; F27-Y62 WeakPolarHBondContact CA-OH 3.35Å; F27-Y62 WeakPolarHBondContact CB-OH 3.43Å; F27-Y62 PolarHBondContact N-OH 3.01Å; F27-Y62 VanDerWaalsContact N-OH 3.13Å; N30-Y62 PolarHBondContact ND2-OH 3Å; C58-Y62 PolarHBondContact O-N 3.27Å; D59-Y62 PolarHBondContact O-N 3.16Å; L60-Y62 VanDerWaalsContact C-N 3.33Å; L60-Y62 PolarHBondContact O-N 3.23Å; Y62-D65 WeakPolarHBondContact O-CB 3.17Å; Y62-D65 PolarHBondContact O-N 3.06Å; Y62-I66 WeakPolarHBondContact O-CG1 3.49Å; Y62-I66 PolarHBondContact O-N 3.03Å; Y62-L105 HydrophobicContact CD2-CD2 4.46Å; Y62-R127 HydrophobicContact CE2-CB 4.28Å; Y62-R127 HydrophobicContact CE2-CG 4.47Å; Y62-K130 HydrophobicContact CD1-CD 4.23Å; Y62-K130 HydrophobicContact CD1-CG 4.13Å; Y62-K130 HydrophobicContact CD2-CB 4.47Å; Y62-K130 HydrophobicContact CD2-CD 4.28Å; Y62-K130 HydrophobicContact CD2-CG 4.32Å; Y62-K130 HydrophobicContact CE1-CB 4.33Å; Y62-K130 HydrophobicContact CE1-CD 4.3Å; Y62-K130 HydrophobicContact CE1-CG 3.69Å; Y62-K130 HydrophobicContact CE2-CB 3.77Å; Y62-K130 HydrophobicContact CE2-CD 4.35Å; Y62-K130 HydrophobicContact CE2-CG 3.91Å; Y62-K130 HydrophobicContact CG-CD 4.22Å; Y62-K130 HydrophobicContact CG-CG 4.43Å
63L96.6Very high95.2Very high89 Ų8943.8 Ų43.847%0.46622%0.222SC..Hα-helixtrans-64.7-45.3175.4-178.364.6000111.3D59 L60 D65 I66 V67 L105D59-L63 PolarHBondContact O-N 3.06Å; L60-L63 PolarHBondContact O-N 2.81Å; L63-D65 VanDerWaalsContact C-N 3.27Å; L63-D65 PolarHBondContact O-N 3.45Å; L63-I66 PolarHBondContact O-N 3.17Å; L63-V67 HydrophobicContact CD1-CG2 4.06Å; L63-V67 HydrophobicContact CG-CG2 4.44Å; L63-V67 WeakPolarHBondContact O-CG2 3.44Å; L63-V67 PolarHBondContact O-N 2.78Å; L63-L105 HydrophobicContact CB-CD1 4.18Å; L63-L105 HydrophobicContact CD1-CD1 4.17Å
64M96.1Very high95Very high64 Ų6440 Ų4032%0.31520%0.201SC..Hα-helixtrans-59.9-39174.5-74178.668.500111.4W19 L60 L61 I66 V67 L68 V69W19-M64 HydrophobicContact CH2-CB 3.76Å; W19-M64 HydrophobicContact CH2-CE 4.02Å; W19-M64 HydrophobicContact CH2-SD 4.48Å; W19-M64 HydrophobicContact CZ2-CB 3.98Å; W19-M64 HydrophobicContact CZ3-CE 4.38Å; L60-M64 HydrophobicContact CG-SD 4.2Å; L60-M64 WeakPolarHBondContact O-CB 3.4Å; L60-M64 VanDerWaalsContact O-CG 3.31Å; L60-M64 WeakPolarHBondContact O-CG 3.35Å; L60-M64 PolarHBondContact O-N 3.15Å; L61-M64 PolarHBondContact O-N 3.22Å; M64-I66 PolarHBondContact O-N 3.1Å; M64-V67 PolarHBondContact O-N 3.29Å; M64-L68 HydrophobicContact CB-CD1 4.15Å; M64-L68 HydrophobicContact CE-CD1 3.83Å; M64-L68 HydrophobicContact CG-CD1 4.07Å; M64-L68 WeakPolarHBondContact O-CA 3.31Å; M64-L68 WeakPolarHBondContact O-CB 3.49Å; M64-L68 PolarHBondContact O-N 3.28Å; M64-V69 PolarHBondContact O-N 3.01Å
65D96.1Very high94.7Very high0 Ų036 Ų360%019%0.185CC..Iπ-helixtrans-61.2-44178.6-178.159.1000111.6W19 V23 L61 Y62 L63 V69 K70 K130W19-D65 HydrophobicContact CZ2-CB 4.03Å; W19-D65 PolarHBondContact NE1-OD1 2.77Å; V23-D65 HydrophobicContact CG2-CB 4.01Å; L61-D65 WeakPolarHBondContact O-CB 3.15Å; L61-D65 PolarHBondContact O-N 2.94Å; Y62-D65 WeakPolarHBondContact O-CB 3.17Å; Y62-D65 PolarHBondContact O-N 3.06Å; L63-D65 VanDerWaalsContact C-N 3.27Å; L63-D65 PolarHBondContact O-N 3.45Å; D65-V69 CarbonylContact O-C 3.54Å; D65-V69 WeakPolarHBondContact O-CA 3.21Å; D65-V69 WeakPolarHBondContact O-CB 3.35Å; D65-V69 PolarHBondContact O-N 2.85Å; D65-V69 VanDerWaalsContact O-N 3.09Å; D65-K70 PolarHBondContact O-N 2.74Å; D65-K70 WeakPolarHBondContact OD2-CE 3.17Å; D65-K70 IonicContact OD2-NZ 2.7Å; D65-K130 WeakPolarHBondContact OD2-CE 3.35Å; D65-K130 IonicContact OD2-NZ 3.82Å; D65-K130 PolarHBondContact OD2-NZ 3.04Å
66I94.7Very high94.3Very high17 Ų1740.5 Ų40.59%0.08721%0.205CC..Iπ-helixtrans-66.9-54.7176.5-62173.7000110.9Y62 L63 M64 T71 Y92 D101 L105Y62-I66 WeakPolarHBondContact O-CG1 3.49Å; Y62-I66 PolarHBondContact O-N 3.03Å; L63-I66 PolarHBondContact O-N 3.17Å; M64-I66 PolarHBondContact O-N 3.1Å; I66-T71 WeakPolarHBondContact O-CG2 3.42Å; I66-T71 PolarHBondContact O-N 3.26Å; I66-T71 PolarHBondContact O-OG1 3.19Å; I66-Y92 HydrophobicContact CG2-CE1 4.11Å; I66-D101 HydrophobicContact CD1-CB 3.69Å; I66-D101 HydrophobicContact CG1-CB 3.87Å; I66-L105 HydrophobicContact CD1-CD1 3.45Å; I66-L105 VanDerWaalsContact CD1-CD1 3.45Å; I66-L105 HydrophobicContact CD1-CG 4.48Å
67V93.5Very high93.7Very high82 Ų8239 Ų3950%0.49720%0.202SC..Iπ-helixtrans-74.6-37.2-169176.70000112L63 M64 T71L63-V67 HydrophobicContact CD1-CG2 4.06Å; L63-V67 HydrophobicContact CG-CG2 4.44Å; L63-V67 WeakPolarHBondContact O-CG2 3.44Å; L63-V67 PolarHBondContact O-N 2.78Å; M64-V67 PolarHBondContact O-N 3.29Å; V67-T71 PolarHBondContact O-OG1 2.89Å
68L92.2Very high93.2Very high42 Ų4243.9 Ų43.922%0.2223%0.226CC..Iπ-helixtrans-105.3-26.5-171.8-55.9177.2000113.6M64 R72M64-L68 HydrophobicContact CB-CD1 4.15Å; M64-L68 HydrophobicContact CE-CD1 3.83Å; M64-L68 HydrophobicContact CG-CD1 4.07Å; M64-L68 WeakPolarHBondContact O-CA 3.31Å; M64-L68 WeakPolarHBondContact O-CB 3.49Å; M64-L68 PolarHBondContact O-N 3.28Å; L68-R72 VanDerWaalsContact C-NH2 3.32Å; L68-R72 VanDerWaalsContact CB-NH2 3.28Å; L68-R72 PolarHBondContact O-NE 3.35Å; L68-R72 PolarHBondContact O-NH2 2.86Å
69V93.8Very high92.6Very high2 Ų246.9 Ų46.91%0.01226%0.259CS..Iπ-helixtrans-112-64.6-171.7-179.60000112I9 Y16 W19 M64 D65 T71 R72 L73I9-V69 HydrophobicContact CD1-CB 4.25Å; I9-V69 HydrophobicContact CD1-CG1 3.99Å; I9-V69 HydrophobicContact CD1-CG2 4.21Å; Y16-V69 HydrophobicContact CD2-CG1 3.66Å; Y16-V69 HydrophobicContact CE2-CG1 3.47Å; Y16-V69 VanDerWaalsContact CE2-CG1 3.47Å; W19-V69 HydrophobicContact CD2-CG2 3.97Å; W19-V69 HydrophobicContact CG-CG2 4.11Å; W19-V69 HydrophobicContact CZ2-CG2 4.1Å; M64-V69 PolarHBondContact O-N 3.01Å; D65-V69 CarbonylContact O-C 3.54Å; D65-V69 WeakPolarHBondContact O-CA 3.21Å; D65-V69 WeakPolarHBondContact O-CB 3.35Å; D65-V69 PolarHBondContact O-N 2.85Å; D65-V69 VanDerWaalsContact O-N 3.09Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 2.88Å; V69-R72 CarbonylContact O-C 3.52Å; V69-R72 WeakPolarHBondContact O-CA 3.34Å; V69-R72 PolarHBondContact O-N 3.18Å; V69-L73 PolarHBondContact O-N 3.26Å; V69-L73 VanDerWaalsContact O-N 3.14Å
70K93.1Very high92.3Very high10 Ų1051.8 Ų51.84%0.04328%0.284CS..G310 helixtrans-61.8-35.8-173.8-71.5-166.2173.4-177.10114D65 R72 L73 Y92 D101 S133D65-K70 PolarHBondContact O-N 2.74Å; D65-K70 WeakPolarHBondContact OD2-CE 3.17Å; D65-K70 IonicContact OD2-NZ 2.7Å; K70-R72 PolarHBondContact O-N 3.03Å; K70-R72 VanDerWaalsContact O-N 3.16Å; K70-L73 PolarHBondContact O-N 3.04Å; K70-Y92 HydrophobicContact CB-CD2 4.09Å; K70-Y92 HydrophobicContact CB-CE1 4.28Å; K70-Y92 HydrophobicContact CB-CE2 3.71Å; K70-Y92 HydrophobicContact CD-CE2 3.7Å; K70-Y92 HydrophobicContact CG-CE2 4.32Å; K70-D101 WeakPolarHBondContact CD-OD2 3.34Å; K70-D101 WeakPolarHBondContact CE-OD2 3.26Å; K70-D101 IonicContact NZ-OD1 3.48Å; K70-D101 PolarHBondContact NZ-OD1 3.04Å; K70-D101 IonicContact NZ-OD2 3.14Å; K70-D101 PolarHBondContact NZ-OD2 3.12Å; K70-S133 WeakPolarHBondContact CE-OG 3.33Å; K70-S133 PolarHBondContact NZ-OG 3.4Å
71T93.3Very high91.8Very high9 Ų952.9 Ų52.96%0.05528%0.281CS..G310 helixtrans-66.6-11.1174.752.30000114.2I66 V67 V69 R89 Y92 F93I66-T71 WeakPolarHBondContact O-CG2 3.42Å; I66-T71 PolarHBondContact O-N 3.26Å; I66-T71 PolarHBondContact O-OG1 3.19Å; V67-T71 PolarHBondContact O-OG1 2.89Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 2.88Å; T71-R89 HydrophobicContact CG2-CG 4.26Å; T71-R89 WeakPolarHBondContact O-CG 3.17Å; T71-Y92 HydrophobicContact CG2-CD1 3.89Å; T71-Y92 HydrophobicContact CG2-CE1 4.11Å; T71-F93 HydrophobicContact CG2-CZ 4.34Å
72R92Very high91.5Very high21 Ų2152.8 Ų52.88%0.07928%0.28CS..G310 helixtrans-121.43.4-177.8-66.4-168.5-77.1-131.93.9113.2F5 S8 I9 L68 V69 K70 Q74 V85F5-R72 PolarHBondContact O-NH1 2.95Å; F5-R72 VanDerWaalsContact O-NH1 3.11Å; S8-R72 CarbonylContact C-O 3.56Å; S8-R72 WeakPolarHBondContact CA-O 3.43Å; S8-R72 WeakPolarHBondContact CB-O 3.43Å; I9-R72 HydrophobicContact CD1-CB 4.3Å; I9-R72 HydrophobicContact CG1-CB 4.39Å; I9-R72 PolarHBondContact N-O 2.7Å; L68-R72 VanDerWaalsContact C-NH2 3.32Å; L68-R72 VanDerWaalsContact CB-NH2 3.28Å; L68-R72 PolarHBondContact O-NE 3.35Å; L68-R72 PolarHBondContact O-NH2 2.86Å; V69-R72 CarbonylContact O-C 3.52Å; V69-R72 WeakPolarHBondContact O-CA 3.34Å; V69-R72 PolarHBondContact O-N 3.18Å; K70-R72 PolarHBondContact O-N 3.03Å; K70-R72 VanDerWaalsContact O-N 3.16Å; R72-Q74 PolarHBondContact O-N 3.47Å; R72-V85 HydrophobicContact CG-CG1 4Å; R72-V85 HydrophobicContact CG-CG2 4.45Å
73L92.8Very high91.1Very high21 Ų2156.8 Ų56.811%0.1130%0.304CS..BIsolated β-bridgetrans-70.9122.9-177.8-173.465.4000110.5C11 Y16 V69 K70 L88C11-L73 HydrophobicContact CB-CD1 3.86Å; C11-L73 HydrophobicContact CB-CG 4.36Å; Y16-L73 HydrophobicContact CD2-CD1 3.82Å; Y16-L73 HydrophobicContact CE1-CD1 4.35Å; Y16-L73 HydrophobicContact CE2-CD1 3.6Å; Y16-L73 HydrophobicContact CE2-CD2 4.31Å; Y16-L73 HydrophobicContact CG-CD1 4.24Å; V69-L73 PolarHBondContact O-N 3.26Å; V69-L73 VanDerWaalsContact O-N 3.14Å; K70-L73 PolarHBondContact O-N 3.04Å; L73-L88 VanDerWaalsContact O-CD2 3.27Å; L73-L88 WeakPolarHBondContact O-CD2 3.2Å
74Q92Very high90.8Very high27 Ų2756.7 Ų56.713%0.12630%0.304CS..  trans-64.9145.7177.2-67.8175.56.400110.8S8 I9 R72 L88S8-Q74 PolarHBondContact OG-NE2 3.39Å; I9-Q74 WeakPolarHBondContact O-CB 3.23Å; I9-Q74 VanDerWaalsContact O-CG 3.31Å; I9-Q74 WeakPolarHBondContact O-CG 3.42Å; I9-Q74 PolarHBondContact O-N 3.02Å; R72-Q74 PolarHBondContact O-N 3.47Å; Q74-L88 HydrophobicContact CG-CD1 4.48Å
75I89.8Confident90.6Very high28 Ų2855.1 Ų55.114%0.14430%0.298CS..EExtended strand (participates in β ladder)trans-124144.8175.765.2-178.6000109.1Q77 I82 L88 Y91I75-Q77 HydrophobicContact CD1-CG 4.22Å; I75-Q77 HydrophobicContact CG1-CG 4.41Å; I75-I82 HydrophobicContact CD1-CD1 4.15Å; I75-I82 HydrophobicContact CG1-CB 4.04Å; I75-I82 HydrophobicContact CG1-CD1 4.11Å; I75-I82 HydrophobicContact CG1-CG1 4.42Å; I75-I82 PolarHBondContact O-N 3.46Å; I75-L88 HydrophobicContact CB-CD2 4.44Å; I75-L88 HydrophobicContact CD1-CD2 4.18Å; I75-L88 HydrophobicContact CG1-CD2 3.77Å; I75-L88 HydrophobicContact CG2-CD2 4.26Å; I75-Y91 HydrophobicContact CD1-CD1 3.64Å; I75-Y91 HydrophobicContact CD1-CD2 3.84Å; I75-Y91 HydrophobicContact CD1-CE1 3.85Å; I75-Y91 HydrophobicContact CD1-CE2 4.06Å; I75-Y91 HydrophobicContact CD1-CG 3.62Å; I75-Y91 HydrophobicContact CG2-CD1 4.03Å; I75-Y91 HydrophobicContact CG2-CE1 3.87Å
76E86.8Confident90.4Very high96 Ų9656.9 Ų56.945%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-97.2118.9169.7-71.1-173.5171.300109I80 R81E76-I80 WeakPolarHBondContact CA-O 3.39Å; E76-R81 HydrophobicContact CG-CG 3.64Å; E76-R81 IonicContact OE1-CZ 3.47Å; E76-R81 IonicContact OE1-NE 3.08Å; E76-R81 PolarHBondContact OE1-NE 3.42Å; E76-R81 IonicContact OE1-NH2 3.74Å; E76-R81 PolarHBondContact OE1-NH2 2.92Å
77Q82.6Confident90.3Very high83 Ų8360.3 Ų60.339%0.38833%0.334SS..EExtended strand (participates in β ladder)trans-120.2124.7171.5-70-172.4-600108.2I75 G79 I80 I82I75-Q77 HydrophobicContact CD1-CG 4.22Å; I75-Q77 HydrophobicContact CG1-CG 4.41Å; Q77-G79 PolarHBondContact O-N 3.47Å; Q77-I80 PolarHBondContact N-O 2.64Å; Q77-I80 PolarHBondContact O-N 3.34Å; Q77-I82 HydrophobicContact CB-CD1 4.1Å; Q77-I82 HydrophobicContact CG-CD1 3.97Å
78N86.8Confident90.3Very high169 Ų16956.5 Ų56.590%0.90431%0.311SS*.THydrogen-bonded Turntrans52.736.3-179-54.9-30.6000113.3I80N78-I80 VanDerWaalsContact C-N 3.25Å; N78-I80 PolarHBondContact O-N 2.82Å
79G85.2Confident90.4Very high70 Ų7060 Ų6072%0.72232%0.321SS*.THydrogen-bonded Turntrans77.8-2.2-17800000115.4Q77Q77-G79 PolarHBondContact O-N 3.47Å
80I89Confident90.4Very high121 Ų12167.3 Ų67.362%0.62135%0.352SS*.EExtended strand (participates in β ladder)trans-100.5130.3178.2-56.8173.8000109.7E76 Q77 N78 I82E76-I80 WeakPolarHBondContact CA-O 3.39Å; Q77-I80 PolarHBondContact N-O 2.64Å; Q77-I80 PolarHBondContact O-N 3.34Å; N78-I80 VanDerWaalsContact C-N 3.25Å; N78-I80 PolarHBondContact O-N 2.82Å; I80-I82 PolarHBondContact O-N 3.49Å
81R87.6Confident90.4Very high124 Ų12471.5 Ų71.547%0.46837%0.369SS..EExtended strand (participates in β ladder)trans-79.4115.4174.2-71.7178-175.9-1740.7110.9D10 E76D10-R81 IonicContact OD2-NH1 3.84Å; E76-R81 HydrophobicContact CG-CG 3.64Å; E76-R81 IonicContact OE1-CZ 3.47Å; E76-R81 IonicContact OE1-NE 3.08Å; E76-R81 PolarHBondContact OE1-NE 3.42Å; E76-R81 IonicContact OE1-NH2 3.74Å; E76-R81 PolarHBondContact OE1-NH2 2.92Å
82I90Very high90.4Very high34 Ų3471.8 Ų71.817%0.17437%0.369CS..EExtended strand (participates in β ladder)trans-84.5118.1174.7-60174.8000108.6I75 Q77 I80 I87 L88I75-I82 HydrophobicContact CD1-CD1 4.15Å; I75-I82 HydrophobicContact CG1-CB 4.04Å; I75-I82 HydrophobicContact CG1-CD1 4.11Å; I75-I82 HydrophobicContact CG1-CG1 4.42Å; I75-I82 PolarHBondContact O-N 3.46Å; Q77-I82 HydrophobicContact CB-CD1 4.1Å; Q77-I82 HydrophobicContact CG-CD1 3.97Å; I80-I82 PolarHBondContact O-N 3.49Å; I82-I87 HydrophobicContact CG2-CB 4.28Å; I82-I87 HydrophobicContact CG2-CG2 4.04Å; I82-L88 HydrophobicContact CB-CD2 4.37Å; I82-L88 HydrophobicContact CG2-CD2 4.12Å
83T89.3Confident90.6Very high83 Ų8375.8 Ų75.851%0.50939%0.387SS..  trans-107.1-12.6-177.157.90000113.8S8 V85S8-T83 VanDerWaalsContact CB-O 3.28Å; S8-T83 WeakPolarHBondContact CB-O 3.32Å; S8-T83 PolarHBondContact OG-O 2.64Å; T83-V85 PolarHBondContact O-N 3.25Å
84D90.7Very high90.7Very high87 Ų8783.8 Ų83.847%0.46542%0.421SS..  trans-68.1113.9-179.2-174.7-53.1000111.5G86 I87 L88D84-G86 VanDerWaalsContact C-N 3.29Å; D84-G86 PolarHBondContact O-N 2.61Å; D84-G86 VanDerWaalsContact OD1-CA 3.32Å; D84-G86 WeakPolarHBondContact OD1-CA 3.32Å; D84-G86 PolarHBondContact OD1-N 3.21Å; D84-I87 HydrophobicContact CB-CB 4.24Å; D84-I87 HydrophobicContact CB-CD1 3.96Å; D84-I87 HydrophobicContact CB-CG1 4.05Å; D84-I87 PolarHBondContact O-N 3.21Å; D84-I87 PolarHBondContact OD1-N 3.34Å; D84-I87 VanDerWaalsContact OD1-N 3.12Å; D84-L88 VanDerWaalsContact O-CG 3.24Å; D84-L88 WeakPolarHBondContact O-CG 3.26Å; D84-L88 PolarHBondContact O-N 2.92Å
85V91Very high90.7Very high32 Ų3288.5 Ų88.519%0.19444%0.438CS..Hα-helixtrans-61.6-33.5-177.2176.40000113R72 T83 R89R72-V85 HydrophobicContact CG-CG1 4Å; R72-V85 HydrophobicContact CG-CG2 4.45Å; T83-V85 PolarHBondContact O-N 3.25Å; V85-R89 HydrophobicContact CG1-CG 4.38Å; V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 VanDerWaalsContact O-CG 3.22Å; V85-R89 WeakPolarHBondContact O-CG 3.5Å; V85-R89 PolarHBondContact O-N 3.18Å
86G91.7Very high90.9Very high36 Ų3695 Ų9537%0.37146%0.461SS..Hα-helixtrans-66.2-40.3177.600000112.2D84 K90D84-G86 VanDerWaalsContact C-N 3.29Å; D84-G86 PolarHBondContact O-N 2.61Å; D84-G86 VanDerWaalsContact OD1-CA 3.32Å; D84-G86 WeakPolarHBondContact OD1-CA 3.32Å; D84-G86 PolarHBondContact OD1-N 3.21Å; G86-K90 WeakPolarHBondContact O-CG 3.34Å; G86-K90 PolarHBondContact O-N 2.67Å
87I92.4Very high91.3Very high89 Ų8991.3 Ų91.346%0.45644%0.444SS..Hα-helixtrans-69.9-46.1175.2-59.4178.3000110.4I82 D84 R89 K90 Y91I82-I87 HydrophobicContact CG2-CB 4.28Å; I82-I87 HydrophobicContact CG2-CG2 4.04Å; D84-I87 HydrophobicContact CB-CB 4.24Å; D84-I87 HydrophobicContact CB-CD1 3.96Å; D84-I87 HydrophobicContact CB-CG1 4.05Å; D84-I87 PolarHBondContact O-N 3.21Å; D84-I87 PolarHBondContact OD1-N 3.34Å; D84-I87 VanDerWaalsContact OD1-N 3.12Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.14Å; I87-K90 PolarHBondContact O-N 2.7Å; I87-Y91 WeakPolarHBondContact O-CB 3.41Å; I87-Y91 PolarHBondContact O-N 3.14Å
88L93.6Very high91.9Very high3 Ų389.6 Ų89.62%0.01644%0.436CS..Hα-helixtrans-57.9-42.2178.6-66.8176.4000112.2L73 Q74 I75 I82 D84 Y91 Y92L73-L88 VanDerWaalsContact O-CD2 3.27Å; L73-L88 WeakPolarHBondContact O-CD2 3.2Å; Q74-L88 HydrophobicContact CG-CD1 4.48Å; I75-L88 HydrophobicContact CB-CD2 4.44Å; I75-L88 HydrophobicContact CD1-CD2 4.18Å; I75-L88 HydrophobicContact CG1-CD2 3.77Å; I75-L88 HydrophobicContact CG2-CD2 4.26Å; I82-L88 HydrophobicContact CB-CD2 4.37Å; I82-L88 HydrophobicContact CG2-CD2 4.12Å; D84-L88 VanDerWaalsContact O-CG 3.24Å; D84-L88 WeakPolarHBondContact O-CG 3.26Å; D84-L88 PolarHBondContact O-N 2.92Å; L88-Y91 WeakPolarHBondContact O-CB 3.46Å; L88-Y91 PolarHBondContact O-N 3.42Å; L88-Y92 WeakPolarHBondContact O-CB 3.34Å; L88-Y92 PolarHBondContact O-N 3.22Å
89R94.3Very high92.3Very high115 Ų11584.8 Ų84.843%0.43441%0.409SS..Hα-helixtrans-58.8-52174.2-78.8172.7-174177.84.3112.3T71 V85 I87 Y91 Y92 F93T71-R89 HydrophobicContact CG2-CG 4.26Å; T71-R89 WeakPolarHBondContact O-CG 3.17Å; V85-R89 HydrophobicContact CG1-CG 4.38Å; V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 VanDerWaalsContact O-CG 3.22Å; V85-R89 WeakPolarHBondContact O-CG 3.5Å; V85-R89 PolarHBondContact O-N 3.18Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.14Å; R89-Y91 PolarHBondContact O-N 3.34Å; R89-Y92 PolarHBondContact O-N 3.17Å; R89-F93 HydrophobicContact CB-CD2 4.41Å; R89-F93 HydrophobicContact CB-CE2 4.22Å; R89-F93 WeakPolarHBondContact O-CD2 3.45Å; R89-F93 PolarHBondContact O-N 3.05Å
90K94.1Very high92.8Very high155 Ų15581.6 Ų81.667%0.67438%0.376SS*.Hα-helixtrans-60.7-38.2179.5-72.7177.5-178.61780111.5G86 I87 K94G86-K90 WeakPolarHBondContact O-CG 3.34Å; G86-K90 PolarHBondContact O-N 2.67Å; I87-K90 PolarHBondContact O-N 2.7Å; K90-K94 WeakPolarHBondContact O-CG 3.34Å; K90-K94 PolarHBondContact O-N 3.47Å
91Y92.9Very high93.1Very high99 Ų9975.8 Ų75.839%0.38835%0.346SS..Hα-helixtrans-64.1-49.5175.7-178.5-97.4000111.6I75 I87 L88 R89 F93 K94 R95I75-Y91 HydrophobicContact CD1-CD1 3.64Å; I75-Y91 HydrophobicContact CD1-CD2 3.84Å; I75-Y91 HydrophobicContact CD1-CE1 3.85Å; I75-Y91 HydrophobicContact CD1-CE2 4.06Å; I75-Y91 HydrophobicContact CD1-CG 3.62Å; I75-Y91 HydrophobicContact CG2-CD1 4.03Å; I75-Y91 HydrophobicContact CG2-CE1 3.87Å; I87-Y91 WeakPolarHBondContact O-CB 3.41Å; I87-Y91 PolarHBondContact O-N 3.14Å; L88-Y91 WeakPolarHBondContact O-CB 3.46Å; L88-Y91 PolarHBondContact O-N 3.42Å; R89-Y91 PolarHBondContact O-N 3.34Å; Y91-F93 PolarHBondContact O-N 3.28Å; Y91-K94 PolarHBondContact O-N 2.92Å; Y91-R95 PolarHBondContact O-N 2.99Å
92Y94.3Very high93.5Very high14 Ų1473.9 Ų73.96%0.05535%0.345CS..Hα-helixtrans-59.1-47.4178.3171-113.6000112.4I66 K70 T71 L88 R89 K94 R95 V97 F98 D101I66-Y92 HydrophobicContact CG2-CE1 4.11Å; K70-Y92 HydrophobicContact CB-CD2 4.09Å; K70-Y92 HydrophobicContact CB-CE1 4.28Å; K70-Y92 HydrophobicContact CB-CE2 3.71Å; K70-Y92 HydrophobicContact CD-CE2 3.7Å; K70-Y92 HydrophobicContact CG-CE2 4.32Å; T71-Y92 HydrophobicContact CG2-CD1 3.89Å; T71-Y92 HydrophobicContact CG2-CE1 4.11Å; L88-Y92 WeakPolarHBondContact O-CB 3.34Å; L88-Y92 PolarHBondContact O-N 3.22Å; R89-Y92 PolarHBondContact O-N 3.17Å; Y92-K94 PolarHBondContact O-N 3.36Å; Y92-R95 WeakPolarHBondContact O-CB 3.38Å; Y92-R95 PolarHBondContact O-N 2.8Å; Y92-V97 HydrophobicContact CE2-CG1 4.5Å; Y92-F98 HydrophobicContact CD1-CD2 4.29Å; Y92-F98 HydrophobicContact CD2-CB 4.39Å; Y92-F98 HydrophobicContact CE1-CB 4.15Å; Y92-F98 AromaticContact CE1-CD2 3.51Å; Y92-F98 HydrophobicContact CE1-CD2 3.51Å; Y92-F98 HydrophobicContact CE1-CE2 4.37Å; Y92-F98 HydrophobicContact CE1-CG 4.21Å; Y92-F98 HydrophobicContact CE2-CB 3.99Å; Y92-F98 AromaticContact CZ-CD2 3.74Å; Y92-F98 WeakPolarHBondContact O-CB 3.45Å; Y92-D101 PolarHBondContact OH-OD2 3.35Å
93F95.7Very high93.8Very high106 Ų10676.3 Ų76.347%0.46535%0.354SS..Hα-helixtrans-63.9-21.6-179.6-72.5-55.6000114.3T71 R89 Y91 F98T71-F93 HydrophobicContact CG2-CZ 4.34Å; R89-F93 HydrophobicContact CB-CD2 4.41Å; R89-F93 HydrophobicContact CB-CE2 4.22Å; R89-F93 WeakPolarHBondContact O-CD2 3.45Å; R89-F93 PolarHBondContact O-N 3.05Å; Y91-F93 PolarHBondContact O-N 3.28Å; F93-F98 AromaticContact CD1-CD1 3.97Å; F93-F98 HydrophobicContact CD1-CD1 3.97Å; F93-F98 AromaticContact CD1-CD2 3.7Å; F93-F98 HydrophobicContact CD1-CD2 3.7Å; F93-F98 AromaticContact CD1-CE1 3.83Å; F93-F98 HydrophobicContact CD1-CE1 3.83Å; F93-F98 AromaticContact CD1-CE2 3.55Å; F93-F98 HydrophobicContact CD1-CE2 3.55Å; F93-F98 AromaticContact CD1-CG 3.91Å; F93-F98 HydrophobicContact CD1-CG 3.91Å; F93-F98 AromaticContact CD1-CZ 3.61Å; F93-F98 HydrophobicContact CD1-CZ 3.61Å; F93-F98 AromaticContact CE1-CD2 3.95Å; F93-F98 HydrophobicContact CE1-CD2 3.95Å; F93-F98 HydrophobicContact CE1-CE1 4.45Å; F93-F98 AromaticContact CE1-CE2 3.49Å; F93-F98 HydrophobicContact CE1-CE2 3.49Å; F93-F98 VanDerWaalsContact CE1-CE2 3.49Å; F93-F98 AromaticContact CE1-CZ 3.78Å; F93-F98 HydrophobicContact CE1-CZ 3.78Å
94K94.1Very high94.1Very high188 Ų18872.3 Ų72.382%0.81733%0.33SS*.Hα-helixtrans-84.9-19.3174.1-72.9-177.1177.6-171.50113.1K90 Y91 Y92K90-K94 WeakPolarHBondContact O-CG 3.34Å; K90-K94 PolarHBondContact O-N 3.47Å; Y91-K94 PolarHBondContact O-N 2.92Å; Y92-K94 PolarHBondContact O-N 3.36Å
95R93.3Very high94.3Very high127 Ų12770.1 Ų70.148%0.47932%0.318SS..SBendtrans-80.4141.4-175.3-165.7177173.9-162.3-3.3109.9Y91 Y92 V97 F98Y91-R95 PolarHBondContact O-N 2.99Å; Y92-R95 WeakPolarHBondContact O-CB 3.38Å; Y92-R95 PolarHBondContact O-N 2.8Å; R95-V97 HydrophobicContact CG-CB 4.19Å; R95-V97 HydrophobicContact CG-CG2 4.05Å; R95-V97 PolarHBondContact O-N 3.2Å; R95-F98 WeakPolarHBondContact O-CB 3.33Å; R95-F98 PolarHBondContact O-N 3.4Å
96W94.6Very high94.5Very high165 Ų16571.6 Ų71.663%0.62533%0.325SS*.Hα-helixtrans-57.3-25176.7-172.870.1000113.7F98 L99 T100 F131W96-F98 VanDerWaalsContact C-N 3.26Å; W96-F98 PolarHBondContact O-N 3.11Å; W96-L99 WeakPolarHBondContact O-CB 3.31Å; W96-L99 PolarHBondContact O-N 3.21Å; W96-T100 HydrophobicContact CD2-CG2 4.08Å; W96-T100 HydrophobicContact CE3-CG2 3.94Å; W96-T100 HydrophobicContact CH2-CG2 3.75Å; W96-T100 HydrophobicContact CZ2-CG2 3.86Å; W96-T100 HydrophobicContact CZ3-CG2 3.78Å; W96-T100 PolarHBondContact O-N 3.4Å; W96-T100 VanDerWaalsContact O-N 3.12Å; W96-F131 HydrophobicContact CH2-CZ 4.05Å; W96-F131 HydrophobicContact CZ3-CZ 4.21Å
97V93.4Very high94.6Very high17 Ų1774 Ų7410%0.10333%0.334CS..Hα-helixtrans-57.4-37.7173.6178.80000112Y92 R95 L99 T100 D101Y92-V97 HydrophobicContact CE2-CG1 4.5Å; R95-V97 HydrophobicContact CG-CB 4.19Å; R95-V97 HydrophobicContact CG-CG2 4.05Å; R95-V97 PolarHBondContact O-N 3.2Å; V97-L99 VanDerWaalsContact C-N 3.29Å; V97-L99 PolarHBondContact O-N 3.31Å; V97-T100 WeakPolarHBondContact CA-OG1 3.48Å; V97-T100 PolarHBondContact O-N 2.95Å; V97-T100 PolarHBondContact O-OG1 3.4Å; V97-D101 WeakPolarHBondContact O-CB 3.49Å; V97-D101 VanDerWaalsContact O-CG 3.23Å; V97-D101 PolarHBondContact O-N 3.48Å; V97-D101 VanDerWaalsContact O-OD2 3.06Å
98F95.2Very high94.6Very high48 Ų4872.5 Ų72.521%0.21133%0.326CS..Hα-helixtrans-62.1-38.9174.8168.5-110.9000111.7Y92 F93 R95 W96 D101 L102Y92-F98 HydrophobicContact CD1-CD2 4.29Å; Y92-F98 HydrophobicContact CD2-CB 4.39Å; Y92-F98 HydrophobicContact CE1-CB 4.15Å; Y92-F98 AromaticContact CE1-CD2 3.51Å; Y92-F98 HydrophobicContact CE1-CD2 3.51Å; Y92-F98 HydrophobicContact CE1-CE2 4.37Å; Y92-F98 HydrophobicContact CE1-CG 4.21Å; Y92-F98 HydrophobicContact CE2-CB 3.99Å; Y92-F98 AromaticContact CZ-CD2 3.74Å; Y92-F98 WeakPolarHBondContact O-CB 3.45Å; F93-F98 AromaticContact CD1-CD1 3.97Å; F93-F98 HydrophobicContact CD1-CD1 3.97Å; F93-F98 AromaticContact CD1-CD2 3.7Å; F93-F98 HydrophobicContact CD1-CD2 3.7Å; F93-F98 AromaticContact CD1-CE1 3.83Å; F93-F98 HydrophobicContact CD1-CE1 3.83Å; F93-F98 AromaticContact CD1-CE2 3.55Å; F93-F98 HydrophobicContact CD1-CE2 3.55Å; F93-F98 AromaticContact CD1-CG 3.91Å; F93-F98 HydrophobicContact CD1-CG 3.91Å; F93-F98 AromaticContact CD1-CZ 3.61Å; F93-F98 HydrophobicContact CD1-CZ 3.61Å; F93-F98 AromaticContact CE1-CD2 3.95Å; F93-F98 HydrophobicContact CE1-CD2 3.95Å; F93-F98 HydrophobicContact CE1-CE1 4.45Å; F93-F98 AromaticContact CE1-CE2 3.49Å; F93-F98 HydrophobicContact CE1-CE2 3.49Å; F93-F98 VanDerWaalsContact CE1-CE2 3.49Å; F93-F98 AromaticContact CE1-CZ 3.78Å; F93-F98 HydrophobicContact CE1-CZ 3.78Å; R95-F98 WeakPolarHBondContact O-CB 3.33Å; R95-F98 PolarHBondContact O-N 3.4Å; W96-F98 VanDerWaalsContact C-N 3.26Å; W96-F98 PolarHBondContact O-N 3.11Å; F98-D101 PolarHBondContact O-N 3Å; F98-L102 HydrophobicContact CE1-CD2 4.49Å; F98-L102 HydrophobicContact CZ-CD2 4.41Å; F98-L102 WeakPolarHBondContact O-CB 3.4Å; F98-L102 PolarHBondContact O-N 3.13Å
99L95.8Very high94.4Very high67 Ų6773.1 Ų73.135%0.35133%0.329SS..Hα-helixtrans-66.1-41.5178.5-173.662.5000111.4W96 V97 D101 L102 F103W96-L99 WeakPolarHBondContact O-CB 3.31Å; W96-L99 PolarHBondContact O-N 3.21Å; V97-L99 VanDerWaalsContact C-N 3.29Å; V97-L99 PolarHBondContact O-N 3.31Å; L99-D101 VanDerWaalsContact C-N 3.33Å; L99-L102 PolarHBondContact O-N 3.02Å; L99-F103 HydrophobicContact CD1-CD2 4.15Å; L99-F103 HydrophobicContact CD1-CE2 3.57Å; L99-F103 HydrophobicContact CD1-CZ 3.81Å; L99-F103 HydrophobicContact CD2-CE2 3.88Å; L99-F103 HydrophobicContact CG-CD2 3.87Å; L99-F103 HydrophobicContact CG-CE2 3.42Å; L99-F103 VanDerWaalsContact CG-CE2 3.42Å; L99-F103 HydrophobicContact CG-CZ 4.17Å; L99-F103 WeakPolarHBondContact O-CD2 3.43Å; L99-F103 WeakPolarHBondContact O-CG 3.35Å; L99-F103 PolarHBondContact O-N 3.41Å
100T96Very high94.2Very high3 Ų373.1 Ų73.12%0.01834%0.338CS..Hα-helixtrans-64.4-38.417455.30000112.4W96 V97 F103 S104 F129 P132W96-T100 HydrophobicContact CD2-CG2 4.08Å; W96-T100 HydrophobicContact CE3-CG2 3.94Å; W96-T100 HydrophobicContact CH2-CG2 3.75Å; W96-T100 HydrophobicContact CZ2-CG2 3.86Å; W96-T100 HydrophobicContact CZ3-CG2 3.78Å; W96-T100 PolarHBondContact O-N 3.4Å; W96-T100 VanDerWaalsContact O-N 3.12Å; V97-T100 WeakPolarHBondContact CA-OG1 3.48Å; V97-T100 PolarHBondContact O-N 2.95Å; V97-T100 PolarHBondContact O-OG1 3.4Å; T100-F103 PolarHBondContact O-N 3Å; T100-S104 PolarHBondContact O-N 3.29Å; T100-F129 WeakPolarHBondContact CB-O 3.36Å; T100-F129 WeakPolarHBondContact O-CB 3.49Å; T100-P132 HydrophobicContact CG2-CG 4.41Å
101D95.7Very high94.1Very high0 Ų069.3 Ų69.30%032%0.324CS..Hα-helixtrans-66.2-40.6176-72.9-42.3000111.5I66 K70 Y92 V97 F98 L99 S104 K130I66-D101 HydrophobicContact CD1-CB 3.69Å; I66-D101 HydrophobicContact CG1-CB 3.87Å; K70-D101 WeakPolarHBondContact CD-OD2 3.34Å; K70-D101 WeakPolarHBondContact CE-OD2 3.26Å; K70-D101 IonicContact NZ-OD1 3.48Å; K70-D101 PolarHBondContact NZ-OD1 3.04Å; K70-D101 IonicContact NZ-OD2 3.14Å; K70-D101 PolarHBondContact NZ-OD2 3.12Å; Y92-D101 PolarHBondContact OH-OD2 3.35Å; V97-D101 WeakPolarHBondContact O-CB 3.49Å; V97-D101 VanDerWaalsContact O-CG 3.23Å; V97-D101 PolarHBondContact O-N 3.48Å; V97-D101 VanDerWaalsContact O-OD2 3.06Å; F98-D101 PolarHBondContact O-N 3Å; L99-D101 VanDerWaalsContact C-N 3.33Å; D101-S104 PolarHBondContact O-N 3.09Å; D101-S104 PolarHBondContact O-OG 3.09Å; D101-K130 WeakPolarHBondContact OD1-CD 3.26Å; D101-K130 WeakPolarHBondContact OD1-CE 3.36Å; D101-K130 IonicContact OD1-NZ 2.8Å; D101-K130 PolarHBondContact OD1-NZ 3.06Å
102L95.7Very high94Very high84 Ų8465.7 Ų65.744%0.4431%0.31SS..Hα-helixtrans-64.4-45.7176-177.563.1000111.6F98 L99 S104 L105F98-L102 HydrophobicContact CE1-CD2 4.49Å; F98-L102 HydrophobicContact CZ-CD2 4.41Å; F98-L102 WeakPolarHBondContact O-CB 3.4Å; F98-L102 PolarHBondContact O-N 3.13Å; L99-L102 PolarHBondContact O-N 3.02Å; L102-S104 PolarHBondContact O-N 3.43Å; L102-L105 PolarHBondContact O-N 3.04Å; L102-L105 VanDerWaalsContact O-N 3.11Å
103F96.3Very high93.8Very high84 Ų8472.3 Ų72.337%0.36835%0.345SS..Hα-helixtrans-63.3-31.5176.4-72.5-47.1000112.6L99 T100 L105 L106 P126 F129L99-F103 HydrophobicContact CD1-CD2 4.15Å; L99-F103 HydrophobicContact CD1-CE2 3.57Å; L99-F103 HydrophobicContact CD1-CZ 3.81Å; L99-F103 HydrophobicContact CD2-CE2 3.88Å; L99-F103 HydrophobicContact CG-CD2 3.87Å; L99-F103 HydrophobicContact CG-CE2 3.42Å; L99-F103 VanDerWaalsContact CG-CE2 3.42Å; L99-F103 HydrophobicContact CG-CZ 4.17Å; L99-F103 WeakPolarHBondContact O-CD2 3.43Å; L99-F103 WeakPolarHBondContact O-CG 3.35Å; L99-F103 PolarHBondContact O-N 3.41Å; T100-F103 PolarHBondContact O-N 3Å; F103-L105 PolarHBondContact O-N 3.47Å; F103-L106 HydrophobicContact CD1-CD1 4.02Å; F103-L106 HydrophobicContact CD1-CG 4.34Å; F103-L106 WeakPolarHBondContact O-CG 3.18Å; F103-L106 PolarHBondContact O-N 3.2Å; F103-P126 VanDerWaalsContact O-CB 3.23Å; F103-P126 WeakPolarHBondContact O-CB 3.48Å; F103-F129 HydrophobicContact CB-CB 4.28Å; F103-F129 HydrophobicContact CB-CD2 3.73Å; F103-F129 HydrophobicContact CB-CE2 4.34Å; F103-F129 HydrophobicContact CB-CG 4.11Å
104S96.1Very high93.6Very high0 Ų074.1 Ų74.10%035%0.35CS..Hα-helixtrans-64.2-19.7175.979.80000114.3T100 D101 L102 P126 R127T100-S104 PolarHBondContact O-N 3.29Å; D101-S104 PolarHBondContact O-N 3.09Å; D101-S104 PolarHBondContact O-OG 3.09Å; L102-S104 PolarHBondContact O-N 3.43Å; S104-P126 WeakPolarHBondContact CA-O 3.36Å; S104-R127 WeakPolarHBondContact O-CD 3.49Å; S104-R127 WeakPolarHBondContact O-CG 3.32Å
105L95Very high93.4Very high41 Ų4170 Ų7022%0.21534%0.342CS..THydrogen-bonded Turntrans-112.517.5-178.2-73.1176.7000113.7Y62 L63 I66 L102 F103Y62-L105 HydrophobicContact CD2-CD2 4.46Å; L63-L105 HydrophobicContact CB-CD1 4.18Å; L63-L105 HydrophobicContact CD1-CD1 4.17Å; I66-L105 HydrophobicContact CD1-CD1 3.45Å; I66-L105 VanDerWaalsContact CD1-CD1 3.45Å; I66-L105 HydrophobicContact CD1-CG 4.48Å; L102-L105 PolarHBondContact O-N 3.04Å; L102-L105 VanDerWaalsContact O-N 3.11Å; F103-L105 PolarHBondContact O-N 3.47Å
106L94.5Very high93.3Very high63 Ų6367.3 Ų67.333%0.3334%0.342SS..  trans-54.7127.2174.9-75.5175000110.4F103 L108 P126F103-L106 HydrophobicContact CD1-CD1 4.02Å; F103-L106 HydrophobicContact CD1-CG 4.34Å; F103-L106 WeakPolarHBondContact O-CG 3.18Å; F103-L106 PolarHBondContact O-N 3.2Å; L106-L108 HydrophobicContact CB-CG 4.15Å; L106-L108 PolarHBondContact O-N 3.28Å; L106-P126 HydrophobicContact CD1-CB 4.34Å; L106-P126 HydrophobicContact CD1-CG 4.42Å
107P92.9Very high93Very high86 Ų8662.3 Ų62.356%0.55833%0.327SS*.  trans-79.447.9-174.534.5-37.9000112.1D109 L110P107-D109 PolarHBondContact O-N 3.49Å; P107-D109 VanDerWaalsContact O-N 3.15Å; P107-L110 HydrophobicContact CB-CD1 4.01Å; P107-L110 HydrophobicContact CB-CG 4.27Å; P107-L110 HydrophobicContact CG-CD1 4.33Å; P107-L110 WeakPolarHBondContact O-CB 3.29Å; P107-L110 WeakPolarHBondContact O-CG 3.28Å; P107-L110 PolarHBondContact O-N 3.34Å; P107-L110 VanDerWaalsContact O-N 3.15Å
108L93.4Very high92.7Very high58 Ų5869.1 Ų69.130%0.30435%0.35SS..G310 helixtrans-64.5-15.9177.9-63.1-172.9000112.6L106 L110 L111 L123 P126L106-L108 HydrophobicContact CB-CG 4.15Å; L106-L108 PolarHBondContact O-N 3.28Å; L108-L110 PolarHBondContact O-N 3.13Å; L108-L111 HydrophobicContact CD2-CD1 4.37Å; L108-L111 WeakPolarHBondContact O-CB 3.22Å; L108-L111 WeakPolarHBondContact O-CG 3.46Å; L108-L111 PolarHBondContact O-N 2.85Å; L108-L123 HydrophobicContact CB-CB 4.32Å; L108-P126 HydrophobicContact CD1-CG 3.61Å
109D88.6Confident92.2Very high15 Ų1569.1 Ų69.18%0.0835%0.351CS..G310 helixtrans-65.6-19.7175.6-65.827.9000112P107 L111 Y112 R124 R127P107-D109 PolarHBondContact O-N 3.49Å; P107-D109 VanDerWaalsContact O-N 3.15Å; D109-L111 PolarHBondContact O-N 3.46Å; D109-Y112 HydrophobicContact CB-CD2 4.19Å; D109-Y112 HydrophobicContact CB-CE2 4.08Å; D109-Y112 WeakPolarHBondContact O-CB 3.42Å; D109-Y112 VanDerWaalsContact O-CG 3.26Å; D109-Y112 PolarHBondContact O-N 3.08Å; D109-R124 IonicContact OD1-NH1 3.72Å; D109-R124 IonicContact OD2-CZ 3.45Å; D109-R124 IonicContact OD2-NH1 3.46Å; D109-R124 PolarHBondContact OD2-NH1 3.1Å; D109-R127 IonicContact OD1-CZ 2.86Å; D109-R127 VanDerWaalsContact OD1-CZ 3.23Å; D109-R127 IonicContact OD1-NH1 3.89Å; D109-R127 PolarHBondContact OD1-NH1 2.81Å; D109-R127 IonicContact OD1-NH2 3.23Å; D109-R127 PolarHBondContact OD1-NH2 3.5Å; D109-R127 IonicContact OD2-NH2 2.76Å; D109-R127 PolarHBondContact OD2-NH2 2.7Å
110L90.4Very high92Very high116 Ų11671.1 Ų71.161%0.60736%0.356SS*.G310 helixtrans-58.9-25.9169.7-65.3174.9000112P107 L108 Y112 L113P107-L110 HydrophobicContact CB-CD1 4.01Å; P107-L110 HydrophobicContact CB-CG 4.27Å; P107-L110 HydrophobicContact CG-CD1 4.33Å; P107-L110 WeakPolarHBondContact O-CB 3.29Å; P107-L110 WeakPolarHBondContact O-CG 3.28Å; P107-L110 PolarHBondContact O-N 3.34Å; P107-L110 VanDerWaalsContact O-N 3.15Å; L108-L110 PolarHBondContact O-N 3.13Å; L110-Y112 PolarHBondContact O-N 3.09Å; L110-L113 WeakPolarHBondContact O-CB 3.26Å; L110-L113 VanDerWaalsContact O-CG 3.32Å; L110-L113 WeakPolarHBondContact O-CG 3.4Å; L110-L113 PolarHBondContact O-N 3.49Å
111L93Very high91.8Very high75 Ų7571.6 Ų71.639%0.39336%0.36SS..G310 helixtrans-68.7-11.9174.5-59.3171.7000112.7L108 D109 L113 Y114 L117 L123L108-L111 HydrophobicContact CD2-CD1 4.37Å; L108-L111 WeakPolarHBondContact O-CB 3.22Å; L108-L111 WeakPolarHBondContact O-CG 3.46Å; L108-L111 PolarHBondContact O-N 2.85Å; D109-L111 PolarHBondContact O-N 3.46Å; L111-L113 PolarHBondContact O-N 3.39Å; L111-Y114 WeakPolarHBondContact O-CB 3.45Å; L111-Y114 PolarHBondContact O-N 2.98Å; L111-L117 HydrophobicContact CB-CD1 4.12Å; L111-L123 HydrophobicContact CB-CD1 3.85Å; L111-L123 HydrophobicContact CD1-CD1 4.44Å; L111-L123 HydrophobicContact CD1-CD2 3.93Å
112Y89.9Confident91.6Very high23 Ų2376 Ų769%0.0938%0.382CS..G310 helixtrans-65.3-17.9171-65.6-14.3000113.2D109 L110 Y114 L117 F119 L123D109-Y112 HydrophobicContact CB-CD2 4.19Å; D109-Y112 HydrophobicContact CB-CE2 4.08Å; D109-Y112 WeakPolarHBondContact O-CB 3.42Å; D109-Y112 VanDerWaalsContact O-CG 3.26Å; D109-Y112 PolarHBondContact O-N 3.08Å; L110-Y112 PolarHBondContact O-N 3.09Å; Y112-Y114 PolarHBondContact O-N 3.35Å; Y112-L117 WeakPolarHBondContact CD1-O 3.36Å; Y112-F119 HydrophobicContact CD2-CD1 4.03Å; Y112-F119 HydrophobicContact CD2-CE1 4.48Å; Y112-F119 HydrophobicContact CE2-CD1 4.28Å; Y112-F119 HydrophobicContact CG-CD1 4.48Å; Y112-L123 HydrophobicContact CD1-CD1 3.8Å; Y112-L123 HydrophobicContact CE1-CB 4.24Å; Y112-L123 HydrophobicContact CE1-CD1 3.68Å; Y112-L123 HydrophobicContact CE1-CG 4.46Å
113L90.7Very high91.6Very high152 Ų15273 Ų7380%0.79637%0.367SS*.G310 helixtrans-64.9-25.9171.4-62.9174.7000111.7L110 L111 P115L110-L113 WeakPolarHBondContact O-CB 3.26Å; L110-L113 VanDerWaalsContact O-CG 3.32Å; L110-L113 WeakPolarHBondContact O-CG 3.4Å; L110-L113 PolarHBondContact O-N 3.49Å; L111-L113 PolarHBondContact O-N 3.39Å; L113-P115 WeakPolarHBondContact O-CD 3.07Å
114Y92Very high91.5Very high145 Ų14569.1 Ų69.157%0.56935%0.349SS*.SBendtrans-82.3118.4175.9-173.9-130.7000110.2L111 Y112 P116 L117 R118L111-Y114 WeakPolarHBondContact O-CB 3.45Å; L111-Y114 PolarHBondContact O-N 2.98Å; Y112-Y114 PolarHBondContact O-N 3.35Å; Y114-P116 VanDerWaalsContact C-CD 3.45Å; Y114-P116 HydrophobicContact CD1-CG 3.4Å; Y114-P116 HydrophobicContact CD2-CG 4.37Å; Y114-P116 HydrophobicContact CE1-CB 4.42Å; Y114-P116 HydrophobicContact CE1-CG 3.01Å; Y114-P116 HydrophobicContact CE2-CG 4.03Å; Y114-P116 HydrophobicContact CG-CG 4.06Å; Y114-L117 HydrophobicContact CD1-CB 4.33Å; Y114-L117 HydrophobicContact CD1-CD1 3.9Å; Y114-L117 HydrophobicContact CD1-CG 3.86Å; Y114-L117 CarbonylContact O-C 3.59Å; Y114-L117 PolarHBondContact O-N 3.45Å; Y114-R118 PolarHBondContact O-N 3.08Å; Y114-R118 VanDerWaalsContact O-N 3.17Å
115P89.7Confident91.4Very high100 Ų10072.6 Ų72.665%0.64937%0.368SS*.G310 helixtrans-49.8-43.4-171.1-28.834.7000117L113 L117 R118L113-P115 WeakPolarHBondContact O-CD 3.07Å; P115-L117 VanDerWaalsContact C-N 3.29Å; P115-L117 PolarHBondContact O-N 3.45Å; P115-R118 WeakPolarHBondContact O-CB 3.48Å; P115-R118 PolarHBondContact O-N 3.3Å
116P90.4Very high91.5Very high72 Ų7271.4 Ų71.447%0.46836%0.363SS..G310 helixtrans-74.8-18.5-17931.1-37.3000113.6Y114 K120Y114-P116 VanDerWaalsContact C-CD 3.45Å; Y114-P116 HydrophobicContact CD1-CG 3.4Å; Y114-P116 HydrophobicContact CD2-CG 4.37Å; Y114-P116 HydrophobicContact CE1-CB 4.42Å; Y114-P116 HydrophobicContact CE1-CG 3.01Å; Y114-P116 HydrophobicContact CE2-CG 4.03Å; Y114-P116 HydrophobicContact CG-CG 4.06Å; P116-K120 WeakPolarHBondContact O-CE 3.41Å
117L88.1Confident91.6Very high59 Ų5968.7 Ų68.731%0.30935%0.348SS..G310 helixtrans-97.52.5175.8-65-178.3000112.9L111 Y112 Y114 P115 F119 K120 L123L111-L117 HydrophobicContact CB-CD1 4.12Å; Y112-L117 WeakPolarHBondContact CD1-O 3.36Å; Y114-L117 HydrophobicContact CD1-CB 4.33Å; Y114-L117 HydrophobicContact CD1-CD1 3.9Å; Y114-L117 HydrophobicContact CD1-CG 3.86Å; Y114-L117 CarbonylContact O-C 3.59Å; Y114-L117 PolarHBondContact O-N 3.45Å; P115-L117 VanDerWaalsContact C-N 3.29Å; P115-L117 PolarHBondContact O-N 3.45Å; L117-F119 PolarHBondContact O-N 2.91Å; L117-K120 WeakPolarHBondContact O-CG 3.38Å; L117-K120 PolarHBondContact O-N 3.24Å; L117-L123 HydrophobicContact CB-CD1 4.26Å
118R86.9Confident91.7Very high160 Ų16066.5 Ų66.560%0.60433%0.331SS*.THydrogen-bonded Turntrans-58.5120.4-176-166.6178.2-176.8176.81.5111.2Y114 P115 K120Y114-R118 PolarHBondContact O-N 3.08Å; Y114-R118 VanDerWaalsContact O-N 3.17Å; P115-R118 WeakPolarHBondContact O-CB 3.48Å; P115-R118 PolarHBondContact O-N 3.3Å; R118-K120 PolarHBondContact O-N 2.8Å
119F85.9Confident91.9Very high49 Ų4968.2 Ų68.222%0.21534%0.336CS..THydrogen-bonded Turntrans5530.4179.2-48.9-60.1000115.2Q43 L48 I52 Y112 L117 P121Q43-F119 PolarHBondContact NE2-O 3.44Å; L48-F119 HydrophobicContact CD1-CB 4.25Å; L48-F119 HydrophobicContact CD1-CD1 4.29Å; L48-F119 HydrophobicContact CD1-CD2 4.31Å; L48-F119 HydrophobicContact CD1-CG 4.04Å; L48-F119 HydrophobicContact CD2-CD2 3.73Å; L48-F119 HydrophobicContact CD2-CE1 4.49Å; L48-F119 HydrophobicContact CD2-CE2 3.61Å; L48-F119 HydrophobicContact CD2-CG 4.25Å; L48-F119 HydrophobicContact CD2-CZ 4.03Å; I52-F119 HydrophobicContact CD1-CD1 3.91Å; I52-F119 HydrophobicContact CD1-CE1 3.51Å; I52-F119 HydrophobicContact CD1-CZ 4.19Å; Y112-F119 HydrophobicContact CD2-CD1 4.03Å; Y112-F119 HydrophobicContact CD2-CE1 4.48Å; Y112-F119 HydrophobicContact CE2-CD1 4.28Å; Y112-F119 HydrophobicContact CG-CD1 4.48Å; L117-F119 PolarHBondContact O-N 2.91Å; F119-P121 VanDerWaalsContact O-CD 3.26Å; F119-P121 WeakPolarHBondContact O-CD 3.25Å
120K91.3Very high92.2Very high108 Ų10867.5 Ų67.547%0.4733%0.332SS..  trans-73.8112.9173-71.2-68.5-175.31780110.4P116 L117 R118 I122 L123P116-K120 WeakPolarHBondContact O-CE 3.41Å; L117-K120 WeakPolarHBondContact O-CG 3.38Å; L117-K120 PolarHBondContact O-N 3.24Å; R118-K120 PolarHBondContact O-N 2.8Å; K120-I122 HydrophobicContact CB-CG2 4.29Å; K120-I122 PolarHBondContact O-N 3.26Å; K120-I122 VanDerWaalsContact O-N 3.14Å; K120-L123 HydrophobicContact CB-CD1 4.4Å; K120-L123 HydrophobicContact CB-CG 4.45Å; K120-L123 PolarHBondContact O-N 3.43Å
121P91.7Very high92.4Very high14 Ų1464.3 Ų64.39%0.09131%0.314CS..G310 helixtrans-63.2-24.7-174.1-21.633.5000114.1R37 F119 L123 R124R37-P121 HydrophobicContact CB-CB 3.83Å; R37-P121 HydrophobicContact CB-CG 3.56Å; F119-P121 VanDerWaalsContact O-CD 3.26Å; F119-P121 WeakPolarHBondContact O-CD 3.25Å; P121-L123 PolarHBondContact O-N 2.9Å; P121-L123 VanDerWaalsContact O-N 3.16Å; P121-R124 WeakPolarHBondContact O-CB 3.42Å; P121-R124 PolarHBondContact O-N 2.77Å
122I92.1Very high92.4Very high91 Ų9161.8 Ų61.847%0.46730%0.302SS..G310 helixtrans-58-28.5178.9-160.672000113.1K120 R124 L125K120-I122 HydrophobicContact CB-CG2 4.29Å; K120-I122 PolarHBondContact O-N 3.26Å; K120-I122 VanDerWaalsContact O-N 3.14Å; I122-R124 PolarHBondContact O-N 3.05Å; I122-R124 VanDerWaalsContact O-N 3.16Å; I122-L125 HydrophobicContact CD1-CD1 3.32Å; I122-L125 HydrophobicContact CD1-CG 3.84Å; I122-L125 HydrophobicContact CG1-CD1 3.81Å; I122-L125 HydrophobicContact CG1-CG 4.31Å; I122-L125 WeakPolarHBondContact O-CB 3.33Å; I122-L125 WeakPolarHBondContact O-CG 3.45Å; I122-L125 PolarHBondContact O-N 2.97Å
123L94Very high92.6Very high23 Ų2360.7 Ų60.712%0.1230%0.298CS..G310 helixtrans-65.9-16.1176.8-64.6177.6000112.4L108 L111 Y112 L117 K120 P121 P126 R127L108-L123 HydrophobicContact CB-CB 4.32Å; L111-L123 HydrophobicContact CB-CD1 3.85Å; L111-L123 HydrophobicContact CD1-CD1 4.44Å; L111-L123 HydrophobicContact CD1-CD2 3.93Å; Y112-L123 HydrophobicContact CD1-CD1 3.8Å; Y112-L123 HydrophobicContact CE1-CB 4.24Å; Y112-L123 HydrophobicContact CE1-CD1 3.68Å; Y112-L123 HydrophobicContact CE1-CG 4.46Å; L117-L123 HydrophobicContact CB-CD1 4.26Å; K120-L123 HydrophobicContact CB-CD1 4.4Å; K120-L123 HydrophobicContact CB-CG 4.45Å; K120-L123 PolarHBondContact O-N 3.43Å; P121-L123 PolarHBondContact O-N 2.9Å; P121-L123 VanDerWaalsContact O-N 3.16Å; L123-P126 WeakPolarHBondContact O-CD 3.4Å; L123-R127 PolarHBondContact O-NH1 3.47Å
124R94.9Very high92.7Very high1 Ų154.8 Ų54.80%0.00427%0.266CS..G310 helixtrans-89.1-1.9175.3-59.9-176.162.678.97113.8I34 D55 D59 D109 P121 I122 P126 R127I34-R124 HydrophobicContact CD1-CB 3.98Å; I34-R124 VanDerWaalsContact CD1-O 3.26Å; I34-R124 WeakPolarHBondContact CD1-O 3.39Å; I34-R124 HydrophobicContact CG1-CB 4.15Å; D55-R124 PolarHBondContact O-NH2 3.37Å; D55-R124 IonicContact OD1-CZ 3.17Å; D55-R124 IonicContact OD1-NE 2.7Å; D55-R124 PolarHBondContact OD1-NE 3.34Å; D55-R124 VanDerWaalsContact OD1-NE 3.17Å; D55-R124 IonicContact OD1-NH2 3.97Å; D55-R124 IonicContact OD2-NE 3.75Å; D59-R124 VanDerWaalsContact CG-NH2 3.32Å; D59-R124 IonicContact OD1-CZ 2.78Å; D59-R124 IonicContact OD1-NH1 3.22Å; D59-R124 IonicContact OD1-NH2 3.91Å; D59-R124 PolarHBondContact OD1-NH2 3.41Å; D59-R124 IonicContact OD2-CZ 3.96Å; D59-R124 IonicContact OD2-NH1 3.71Å; D59-R124 PolarHBondContact OD2-NH1 3.29Å; D59-R124 IonicContact OD2-NH2 3.15Å; D59-R124 PolarHBondContact OD2-NH2 2.94Å; D109-R124 IonicContact OD1-NH1 3.72Å; D109-R124 IonicContact OD2-CZ 3.45Å; D109-R124 IonicContact OD2-NH1 3.46Å; D109-R124 PolarHBondContact OD2-NH1 3.1Å; P121-R124 WeakPolarHBondContact O-CB 3.42Å; P121-R124 PolarHBondContact O-N 2.77Å; I122-R124 PolarHBondContact O-N 3.05Å; I122-R124 VanDerWaalsContact O-N 3.16Å; R124-P126 VanDerWaalsContact C-N 3.3Å; R124-P126 VanDerWaalsContact O-N 3.15Å; R124-R127 WeakPolarHBondContact O-CB 3.26Å; R124-R127 VanDerWaalsContact O-CD 3.23Å; R124-R127 WeakPolarHBondContact O-CD 3.29Å; R124-R127 PolarHBondContact O-N 3.21Å
125L94.4Very high92.7Very high74 Ų7453.4 Ų53.439%0.38726%0.26SS..G310 helixtrans-50-38.1176.9-83-178.7000115.4I34 I122 R127 L128I34-L125 HydrophobicContact CG2-CD2 3.77Å; I34-L125 HydrophobicContact CG2-CG 4.21Å; I122-L125 HydrophobicContact CD1-CD1 3.32Å; I122-L125 HydrophobicContact CD1-CG 3.84Å; I122-L125 HydrophobicContact CG1-CD1 3.81Å; I122-L125 HydrophobicContact CG1-CG 4.31Å; I122-L125 WeakPolarHBondContact O-CB 3.33Å; I122-L125 WeakPolarHBondContact O-CG 3.45Å; I122-L125 PolarHBondContact O-N 2.97Å; L125-R127 PolarHBondContact O-N 3.27Å; L125-L128 HydrophobicContact CD2-CD1 4.03Å; L125-L128 WeakPolarHBondContact O-CB 3.46Å; L125-L128 WeakPolarHBondContact O-CG 3.47Å; L125-L128 PolarHBondContact O-N 2.88Å
126P96.3Very high92.9Very high16 Ų1649.8 Ų49.810%0.10423%0.234CC..G310 helixtrans-57.4-23.7178.6-26.835.4000114.1F103 S104 L106 L108 L123 R124 L128 F129F103-P126 VanDerWaalsContact O-CB 3.23Å; F103-P126 WeakPolarHBondContact O-CB 3.48Å; S104-P126 WeakPolarHBondContact CA-O 3.36Å; L106-P126 HydrophobicContact CD1-CB 4.34Å; L106-P126 HydrophobicContact CD1-CG 4.42Å; L108-P126 HydrophobicContact CD1-CG 3.61Å; L123-P126 WeakPolarHBondContact O-CD 3.4Å; R124-P126 VanDerWaalsContact C-N 3.3Å; R124-P126 VanDerWaalsContact O-N 3.15Å; P126-L128 PolarHBondContact O-N 2.97Å; P126-F129 HydrophobicContact CB-CD2 4.12Å; P126-F129 HydrophobicContact CB-CE2 4.35Å; P126-F129 WeakPolarHBondContact O-CB 3.36Å; P126-F129 WeakPolarHBondContact O-CD2 3.26Å; P126-F129 PolarHBondContact O-N 2.91Å
127R96.4Very high93Very high6 Ų647.5 Ų47.52%0.02322%0.218CC..G310 helixtrans-58.7-22.9178.2-77.360.9177.3-154.3-9.6112.3N30 I34 D59 Y62 S104 D109 L123 R124 L125 F129 K130N30-R127 HydrophobicContact CB-CB 4.37Å; I34-R127 HydrophobicContact CD1-CB 4.47Å; D59-R127 IonicContact OD1-NE 3.17Å; D59-R127 PolarHBondContact OD1-NE 3.1Å; D59-R127 IonicContact OD1-NH2 2.81Å; D59-R127 IonicContact OD2-CZ 2.72Å; D59-R127 IonicContact OD2-NE 3.4Å; D59-R127 IonicContact OD2-NH2 3.99Å; D59-R127 PolarHBondContact OD2-NH2 3.3Å; D59-R127 VanDerWaalsContact OD2-NH2 3.15Å; Y62-R127 HydrophobicContact CE2-CB 4.28Å; Y62-R127 HydrophobicContact CE2-CG 4.47Å; S104-R127 WeakPolarHBondContact O-CD 3.49Å; S104-R127 WeakPolarHBondContact O-CG 3.32Å; D109-R127 IonicContact OD1-CZ 2.86Å; D109-R127 VanDerWaalsContact OD1-CZ 3.23Å; D109-R127 IonicContact OD1-NH1 3.89Å; D109-R127 PolarHBondContact OD1-NH1 2.81Å; D109-R127 IonicContact OD1-NH2 3.23Å; D109-R127 PolarHBondContact OD1-NH2 3.5Å; D109-R127 IonicContact OD2-NH2 2.76Å; D109-R127 PolarHBondContact OD2-NH2 2.7Å; L123-R127 PolarHBondContact O-NH1 3.47Å; R124-R127 WeakPolarHBondContact O-CB 3.26Å; R124-R127 VanDerWaalsContact O-CD 3.23Å; R124-R127 WeakPolarHBondContact O-CD 3.29Å; R124-R127 PolarHBondContact O-N 3.21Å; L125-R127 PolarHBondContact O-N 3.27Å; R127-F129 PolarHBondContact O-N 3.47Å; R127-K130 WeakPolarHBondContact O-CB 3.46Å; R127-K130 PolarHBondContact O-N 3.4Å
128L95.6Very high93Very high39 Ų3946.1 Ų46.120%0.20421%0.209CC..G310 helixtrans-69.5-12.9174.9-55.7-176.5000113.6F27 N30 A31 I34 L125 P126 K130 F131F27-L128 HydrophobicContact CE2-CD2 4.42Å; F27-L128 WeakPolarHBondContact CE2-O 3.25Å; N30-L128 HydrophobicContact CB-CD2 4.21Å; A31-L128 VanDerWaalsContact CA-CD2 3.49Å; A31-L128 HydrophobicContact CB-CD2 4.05Å; I34-L128 HydrophobicContact CD1-CD2 4.26Å; I34-L128 HydrophobicContact CD1-CG 4.41Å; L125-L128 HydrophobicContact CD2-CD1 4.03Å; L125-L128 WeakPolarHBondContact O-CB 3.46Å; L125-L128 WeakPolarHBondContact O-CG 3.47Å; L125-L128 PolarHBondContact O-N 2.88Å; P126-L128 PolarHBondContact O-N 2.97Å; L128-K130 PolarHBondContact O-N 3.38Å; L128-K130 VanDerWaalsContact O-N 3.1Å; L128-F131 WeakPolarHBondContact O-CD1 3.16Å; L128-F131 PolarHBondContact O-N 3.5Å
129F96.5Very high93Very high94 Ų9444.5 Ų44.541%0.41221%0.209SC..G310 helixtrans-65.2-8.4170.7-71.2-62.7000113.3T100 F103 P126 R127 F131 P132T100-F129 WeakPolarHBondContact CB-O 3.36Å; T100-F129 WeakPolarHBondContact O-CB 3.49Å; F103-F129 HydrophobicContact CB-CB 4.28Å; F103-F129 HydrophobicContact CB-CD2 3.73Å; F103-F129 HydrophobicContact CB-CE2 4.34Å; F103-F129 HydrophobicContact CB-CG 4.11Å; P126-F129 HydrophobicContact CB-CD2 4.12Å; P126-F129 HydrophobicContact CB-CE2 4.35Å; P126-F129 WeakPolarHBondContact O-CB 3.36Å; P126-F129 WeakPolarHBondContact O-CD2 3.26Å; P126-F129 PolarHBondContact O-N 2.91Å; R127-F129 PolarHBondContact O-N 3.47Å; F129-F131 HydrophobicContact CD1-CE1 4.33Å; F129-F131 PolarHBondContact O-N 3.18Å; F129-P132 WeakPolarHBondContact O-CD 2.98Å
130K95.6Very high93.2Very high0 Ų045 Ų450%021%0.209CC..G310 helixtrans-73.24.9172.5-15772177.6179.10114.3V23 F27 Y62 D65 D101 R127 L128 P132 S133V23-K130 HydrophobicContact CG1-CG 4.27Å; F27-K130 HydrophobicContact CD2-CB 4.17Å; Y62-K130 HydrophobicContact CD1-CD 4.23Å; Y62-K130 HydrophobicContact CD1-CG 4.13Å; Y62-K130 HydrophobicContact CD2-CB 4.47Å; Y62-K130 HydrophobicContact CD2-CD 4.28Å; Y62-K130 HydrophobicContact CD2-CG 4.32Å; Y62-K130 HydrophobicContact CE1-CB 4.33Å; Y62-K130 HydrophobicContact CE1-CD 4.3Å; Y62-K130 HydrophobicContact CE1-CG 3.69Å; Y62-K130 HydrophobicContact CE2-CB 3.77Å; Y62-K130 HydrophobicContact CE2-CD 4.35Å; Y62-K130 HydrophobicContact CE2-CG 3.91Å; Y62-K130 HydrophobicContact CG-CD 4.22Å; Y62-K130 HydrophobicContact CG-CG 4.43Å; D65-K130 WeakPolarHBondContact OD2-CE 3.35Å; D65-K130 IonicContact OD2-NZ 3.82Å; D65-K130 PolarHBondContact OD2-NZ 3.04Å; D101-K130 WeakPolarHBondContact OD1-CD 3.26Å; D101-K130 WeakPolarHBondContact OD1-CE 3.36Å; D101-K130 IonicContact OD1-NZ 2.8Å; D101-K130 PolarHBondContact OD1-NZ 3.06Å; R127-K130 WeakPolarHBondContact O-CB 3.46Å; R127-K130 PolarHBondContact O-N 3.4Å; L128-K130 PolarHBondContact O-N 3.38Å; L128-K130 VanDerWaalsContact O-N 3.1Å; K130-P132 VanDerWaalsContact C-N 3.28Å; K130-P132 WeakPolarHBondContact O-CD 3.29Å; K130-P132 VanDerWaalsContact O-N 3.13Å; K130-S133 PolarHBondContact O-N 3.22Å
131F93.9Very high93Very high50 Ų5040.4 Ų40.422%0.21919%0.192CC..Hα-helixtrans-51.2-31.7178.870.7-98.1000115.6F27 W96 L128 F129 S133 F134 W135F27-F131 HydrophobicContact CE2-CB 3.89Å; F27-F131 HydrophobicContact CZ-CB 3.93Å; W96-F131 HydrophobicContact CH2-CZ 4.05Å; W96-F131 HydrophobicContact CZ3-CZ 4.21Å; L128-F131 WeakPolarHBondContact O-CD1 3.16Å; L128-F131 PolarHBondContact O-N 3.5Å; F129-F131 HydrophobicContact CD1-CE1 4.33Å; F129-F131 PolarHBondContact O-N 3.18Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.33Å; F131-F134 WeakPolarHBondContact O-CB 3.28Å; F131-F134 PolarHBondContact O-N 3.4Å; F131-F134 VanDerWaalsContact O-N 3.12Å; F131-W135 HydrophobicContact CD2-CD2 4.33Å; F131-W135 AromaticContact CD2-CE3 3.45Å; F131-W135 HydrophobicContact CD2-CE3 3.45Å; F131-W135 VanDerWaalsContact CD2-CE3 3.45Å; F131-W135 AromaticContact CD2-CH2 3.63Å; F131-W135 HydrophobicContact CD2-CH2 3.63Å; F131-W135 HydrophobicContact CD2-CZ2 4.48Å; F131-W135 AromaticContact CD2-CZ3 3.06Å; F131-W135 HydrophobicContact CD2-CZ3 3.06Å; F131-W135 AromaticContact CE2-CE3 3.94Å; F131-W135 HydrophobicContact CE2-CE3 3.94Å; F131-W135 HydrophobicContact CE2-CH2 4.04Å; F131-W135 AromaticContact CE2-CZ3 3.31Å; F131-W135 HydrophobicContact CE2-CZ3 3.31Å; F131-W135 HydrophobicContact CG-CH2 4.4Å; F131-W135 HydrophobicContact CG-CZ3 4.18Å; F131-W135 PolarHBondContact O-N 3.13Å
132P94.8Very high92.7Very high21 Ų2141.8 Ų41.814%0.13620%0.198CC..Hα-helixtrans-62-38.4179.6-24.235.6000112.7T100 F129 K130 F134 W135 E136T100-P132 HydrophobicContact CG2-CG 4.41Å; F129-P132 WeakPolarHBondContact O-CD 2.98Å; K130-P132 VanDerWaalsContact C-N 3.28Å; K130-P132 WeakPolarHBondContact O-CD 3.29Å; K130-P132 VanDerWaalsContact O-N 3.13Å; P132-F134 VanDerWaalsContact C-N 3.31Å; P132-F134 PolarHBondContact O-N 3.26Å; P132-W135 PolarHBondContact O-N 3.43Å; P132-E136 WeakPolarHBondContact O-CB 3.4Å; P132-E136 PolarHBondContact O-N 3.06Å
133S93.7Very high92.4Very high1 Ų142.7 Ų42.71%0.00721%0.212CC..Hα-helixtrans-66.2-34.8176.4-71.60000112L20 K70 K130 F131 L137L20-S133 WeakPolarHBondContact CD1-O 3.38Å; K70-S133 WeakPolarHBondContact CE-OG 3.33Å; K70-S133 PolarHBondContact NZ-OG 3.4Å; K130-S133 PolarHBondContact O-N 3.22Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.33Å; S133-L137 PolarHBondContact O-N 2.81Å; S133-L137 VanDerWaalsContact O-N 3.13Å
134F92.8Very high91.9Very high28 Ų2844.6 Ų44.612%0.12323%0.231CC..Hα-helixtrans-65.4-44.5174.6177.6-90.5000111.4A24 F27 F131 P132 L137 F138 Y159A24-F134 HydrophobicContact CB-CD2 4.07Å; F27-F134 HydrophobicContact CD1-CB 3.55Å; F27-F134 HydrophobicContact CD1-CD1 4.38Å; F27-F134 AromaticContact CD1-CD2 3.38Å; F27-F134 HydrophobicContact CD1-CD2 3.38Å; F27-F134 HydrophobicContact CD1-CE2 4.1Å; F27-F134 AromaticContact CD1-CG 3.52Å; F27-F134 HydrophobicContact CD1-CG 3.52Å; F27-F134 HydrophobicContact CE1-CB 3.87Å; F27-F134 HydrophobicContact CE1-CD1 4.1Å; F27-F134 AromaticContact CE1-CD2 3.86Å; F27-F134 HydrophobicContact CE1-CD2 3.86Å; F27-F134 HydrophobicContact CE1-CE2 4.36Å; F27-F134 AromaticContact CE1-CG 3.68Å; F27-F134 HydrophobicContact CE1-CG 3.68Å; F27-F134 HydrophobicContact CG-CB 4.05Å; F27-F134 HydrophobicContact CG-CD2 4.4Å; F27-F134 HydrophobicContact CG-CG 4.46Å; F131-F134 WeakPolarHBondContact O-CB 3.28Å; F131-F134 PolarHBondContact O-N 3.4Å; F131-F134 VanDerWaalsContact O-N 3.12Å; P132-F134 VanDerWaalsContact C-N 3.31Å; P132-F134 PolarHBondContact O-N 3.26Å; F134-L137 WeakPolarHBondContact O-CB 3.14Å; F134-L137 PolarHBondContact O-N 3.01Å; F134-F138 HydrophobicContact CD1-CD2 4.2Å; F134-F138 HydrophobicContact CD1-CE2 4.19Å; F134-F138 HydrophobicContact CD2-CE2 4.25Å; F134-F138 AromaticContact CE1-CD2 3.83Å; F134-F138 HydrophobicContact CE1-CD2 3.83Å; F134-F138 AromaticContact CE1-CE2 3.53Å; F134-F138 HydrophobicContact CE1-CE2 3.53Å; F134-F138 AromaticContact CE2-CE2 3.65Å; F134-F138 HydrophobicContact CE2-CE2 3.65Å; F134-F138 HydrophobicContact CE2-CZ 4.5Å; F134-F138 HydrophobicContact CZ-CD2 4.05Å; F134-F138 AromaticContact CZ-CE2 3.26Å; F134-F138 HydrophobicContact CZ-CE2 3.26Å; F134-F138 HydrophobicContact CZ-CZ 4.07Å; F134-F138 WeakPolarHBondContact O-CD2 3.44Å; F134-F138 PolarHBondContact O-N 3.41Å; F134-Y159 AromaticContact CE1-CE1 3.82Å; F134-Y159 HydrophobicContact CE1-CE1 3.82Å; F134-Y159 HydrophobicContact CZ-CE1 4.46Å
135W91.9Very high91.3Very high116 Ų11647.1 Ų47.144%0.43925%0.249SC..Hα-helixtrans-67.5-39.2176.4-73.4-38000113.1F131 P132 L137 F138 E139 Y159F131-W135 HydrophobicContact CD2-CD2 4.33Å; F131-W135 AromaticContact CD2-CE3 3.45Å; F131-W135 HydrophobicContact CD2-CE3 3.45Å; F131-W135 VanDerWaalsContact CD2-CE3 3.45Å; F131-W135 AromaticContact CD2-CH2 3.63Å; F131-W135 HydrophobicContact CD2-CH2 3.63Å; F131-W135 HydrophobicContact CD2-CZ2 4.48Å; F131-W135 AromaticContact CD2-CZ3 3.06Å; F131-W135 HydrophobicContact CD2-CZ3 3.06Å; F131-W135 AromaticContact CE2-CE3 3.94Å; F131-W135 HydrophobicContact CE2-CE3 3.94Å; F131-W135 HydrophobicContact CE2-CH2 4.04Å; F131-W135 AromaticContact CE2-CZ3 3.31Å; F131-W135 HydrophobicContact CE2-CZ3 3.31Å; F131-W135 HydrophobicContact CG-CH2 4.4Å; F131-W135 HydrophobicContact CG-CZ3 4.18Å; F131-W135 PolarHBondContact O-N 3.13Å; P132-W135 PolarHBondContact O-N 3.43Å; W135-L137 PolarHBondContact O-N 3.1Å; W135-F138 PolarHBondContact O-N 3.29Å; W135-F138 VanDerWaalsContact O-N 3.09Å; W135-E139 PolarHBondContact O-N 3.08Å; W135-Y159 VanDerWaalsContact CD1-OH 3.23Å; W135-Y159 AromaticContact NE1-CZ 3.97Å; W135-Y159 PolarHBondContact NE1-OH 3.36Å
136E92.7Very high90.7Very high24 Ų2453.3 Ų53.311%0.11228%0.276CS..Hα-helixtrans-57.2-36.9174.9-171.4-178.2164.800111.8Y16 L20 P132 E139 R140Y16-E136 WeakPolarHBondContact CE1-OE1 3.42Å; Y16-E136 PolarHBondContact OH-OE1 3.42Å; L20-E136 HydrophobicContact CD2-CB 4.06Å; L20-E136 HydrophobicContact CD2-CG 3.81Å; P132-E136 WeakPolarHBondContact O-CB 3.4Å; P132-E136 PolarHBondContact O-N 3.06Å; E136-E139 PolarHBondContact O-N 3.29Å; E136-R140 WeakPolarHBondContact O-CG 2.97Å; E136-R140 PolarHBondContact O-N 3.27Å; E136-R140 VanDerWaalsContact O-N 3.08Å; E136-R140 IonicContact OE1-CZ 3.24Å; E136-R140 IonicContact OE1-NE 2.74Å; E136-R140 PolarHBondContact OE1-NE 2.88Å; E136-R140 IonicContact OE1-NH1 3.84Å; E136-R140 IonicContact OE1-NH2 2.85Å; E136-R140 PolarHBondContact OE1-NH2 2.83Å
137L92.6Very high90Very high24 Ų2456.9 Ų56.913%0.12629%0.294CS..Hα-helixtrans-58.7-51.2174.8175.263000110.9L17 L20 S21 A24 S133 F134 W135 E139 R140 A141L17-L137 HydrophobicContact CD1-CD1 3.75Å; L20-L137 HydrophobicContact CB-CD1 4.44Å; L20-L137 VanDerWaalsContact CD2-CA 3.49Å; L20-L137 HydrophobicContact CD2-CB 4.07Å; L20-L137 HydrophobicContact CG-CB 3.98Å; L20-L137 HydrophobicContact CG-CD1 4.38Å; S21-L137 WeakPolarHBondContact OG-CD1 3.24Å; A24-L137 HydrophobicContact CB-CB 4.25Å; A24-L137 HydrophobicContact CB-CD2 3.38Å; A24-L137 HydrophobicContact CB-CG 4.43Å; S133-L137 PolarHBondContact O-N 2.81Å; S133-L137 VanDerWaalsContact O-N 3.13Å; F134-L137 WeakPolarHBondContact O-CB 3.14Å; F134-L137 PolarHBondContact O-N 3.01Å; W135-L137 PolarHBondContact O-N 3.1Å; L137-E139 VanDerWaalsContact C-N 3.33Å; L137-E139 PolarHBondContact O-N 2.83Å; L137-R140 PolarHBondContact O-N 2.77Å; L137-A141 WeakPolarHBondContact O-CB 3.29Å; L137-A141 PolarHBondContact O-N 3.16Å
138F88.6Confident89.3Confident29 Ų2958.2 Ų58.213%0.12730%0.303CS..Hα-helixtrans-66.7-35.5-176.4-80.8-80.1000112.3F134 W135 D142 L151 K155F134-F138 HydrophobicContact CD1-CD2 4.2Å; F134-F138 HydrophobicContact CD1-CE2 4.19Å; F134-F138 HydrophobicContact CD2-CE2 4.25Å; F134-F138 AromaticContact CE1-CD2 3.83Å; F134-F138 HydrophobicContact CE1-CD2 3.83Å; F134-F138 AromaticContact CE1-CE2 3.53Å; F134-F138 HydrophobicContact CE1-CE2 3.53Å; F134-F138 AromaticContact CE2-CE2 3.65Å; F134-F138 HydrophobicContact CE2-CE2 3.65Å; F134-F138 HydrophobicContact CE2-CZ 4.5Å; F134-F138 HydrophobicContact CZ-CD2 4.05Å; F134-F138 AromaticContact CZ-CE2 3.26Å; F134-F138 HydrophobicContact CZ-CE2 3.26Å; F134-F138 HydrophobicContact CZ-CZ 4.07Å; F134-F138 WeakPolarHBondContact O-CD2 3.44Å; F134-F138 PolarHBondContact O-N 3.41Å; W135-F138 PolarHBondContact O-N 3.29Å; W135-F138 VanDerWaalsContact O-N 3.09Å; F138-D142 VanDerWaalsContact O-CB 3.24Å; F138-D142 WeakPolarHBondContact O-CB 3.17Å; F138-D142 PolarHBondContact O-N 2.86Å; F138-L151 HydrophobicContact CD1-CD1 4.42Å; F138-L151 HydrophobicContact CD1-CG 4.32Å; F138-L151 HydrophobicContact CE1-CD1 4.42Å; F138-K155 HydrophobicContact CB-CD 4.01Å; F138-K155 HydrophobicContact CD1-CB 3.71Å; F138-K155 HydrophobicContact CD1-CD 3.85Å; F138-K155 HydrophobicContact CD1-CG 3.75Å; F138-K155 HydrophobicContact CE1-CB 3.63Å; F138-K155 HydrophobicContact CE1-CG 3.93Å; F138-K155 HydrophobicContact CG-CD 3.92Å; F138-K155 HydrophobicContact CG-CG 4.05Å; F138-K155 HydrophobicContact CZ-CB 4.41Å; F138-K155 HydrophobicContact CZ-CG 4.42Å
139E87.9Confident88.5Confident127 Ų12761.2 Ų61.259%0.59332%0.315SS*.Hα-helixtrans-63.5-42.2175.4-71.4171.8-171.200111.7W135 E136 L137 S143W135-E139 PolarHBondContact O-N 3.08Å; E136-E139 PolarHBondContact O-N 3.29Å; L137-E139 VanDerWaalsContact C-N 3.33Å; L137-E139 PolarHBondContact O-N 2.83Å; E139-S143 PolarHBondContact O-N 2.92Å; E139-S143 PolarHBondContact O-OG 3.27Å; E139-S143 VanDerWaalsContact O-OG 3.05Å
140R88.7Confident87.8Confident58 Ų5858.8 Ų58.822%0.21931%0.312CS..Hα-helixtrans-75.5-40.5178.9-67-172.4-174.1-166.310.9112.5C11 L17 E136 L137 D142 S143 A144C11-R140 VanDerWaalsContact C-NH1 3.31Å; C11-R140 VanDerWaalsContact CA-NH1 3.31Å; C11-R140 PolarHBondContact O-NH1 2.8Å; L17-R140 HydrophobicContact CD1-CB 3.86Å; E136-R140 WeakPolarHBondContact O-CG 2.97Å; E136-R140 PolarHBondContact O-N 3.27Å; E136-R140 VanDerWaalsContact O-N 3.08Å; E136-R140 IonicContact OE1-CZ 3.24Å; E136-R140 IonicContact OE1-NE 2.74Å; E136-R140 PolarHBondContact OE1-NE 2.88Å; E136-R140 IonicContact OE1-NH1 3.84Å; E136-R140 IonicContact OE1-NH2 2.85Å; E136-R140 PolarHBondContact OE1-NH2 2.83Å; L137-R140 PolarHBondContact O-N 2.77Å; R140-D142 VanDerWaalsContact C-N 3.3Å; R140-D142 PolarHBondContact O-N 3.34Å; R140-S143 PolarHBondContact O-N 3.2Å; R140-A144 WeakPolarHBondContact O-CB 3.36Å; R140-A144 PolarHBondContact O-N 2.96Å
141A88.5Confident87.3Confident13 Ų1360.4 Ų60.411%0.10732%0.321CS..Hα-helixtrans-62.1-38.3173.800000111.1L137 S143 A144 C145 L151L137-A141 WeakPolarHBondContact O-CB 3.29Å; L137-A141 PolarHBondContact O-N 3.16Å; A141-S143 PolarHBondContact O-N 3.46Å; A141-A144 PolarHBondContact O-N 3.37Å; A141-A144 VanDerWaalsContact O-N 3.16Å; A141-C145 VanDerWaalsContact O-CB 3.29Å; A141-C145 WeakPolarHBondContact O-CB 3.38Å; A141-C145 PolarHBondContact O-N 2.92Å; A141-C145 PolarHBondContact O-SG 2.97Å; A141-L151 HydrophobicContact CB-CD1 4.21Å; A141-L151 HydrophobicContact CB-CD2 3.56Å
142D85.4Confident86.8Confident43 Ų4363 Ų6323%0.2333%0.329CS..Hα-helixtrans-63.1-34176.9-163.351.2000111.3F138 R140 P148 L151 R152F138-D142 VanDerWaalsContact O-CB 3.24Å; F138-D142 WeakPolarHBondContact O-CB 3.17Å; F138-D142 PolarHBondContact O-N 2.86Å; R140-D142 VanDerWaalsContact C-N 3.3Å; R140-D142 PolarHBondContact O-N 3.34Å; D142-P148 WeakPolarHBondContact OD1-CA 3.47Å; D142-P148 WeakPolarHBondContact OD1-CB 3.38Å; D142-L151 VanDerWaalsContact CA-CD2 3.41Å; D142-L151 HydrophobicContact CB-CD2 3.92Å; D142-R152 IonicContact OD1-CZ 3.71Å; D142-R152 IonicContact OD1-NE 3.73Å; D142-R152 PolarHBondContact OD1-NE 3.42Å; D142-R152 VanDerWaalsContact OD1-NE 3.08Å; D142-R152 IonicContact OD1-NH2 3.07Å; D142-R152 IonicContact OD2-CZ 2.7Å; D142-R152 IonicContact OD2-NE 3.94Å; D142-R152 PolarHBondContact OD2-NE 2.86Å; D142-R152 IonicContact OD2-NH2 3.49Å; D142-R152 PolarHBondContact OD2-NH2 3.19Å
143S84.2Confident86.3Confident109 Ų10964.2 Ų64.276%0.76233%0.334SS*.Hα-helixtrans-79.1-25.2177.1-540000113.4E139 R140 A141E139-S143 PolarHBondContact O-N 2.92Å; E139-S143 PolarHBondContact O-OG 3.27Å; E139-S143 VanDerWaalsContact O-OG 3.05Å; R140-S143 PolarHBondContact O-N 3.2Å; A141-S143 PolarHBondContact O-N 3.46Å
144A84.4Confident85.8Confident63 Ų6368.1 Ų68.152%0.52136%0.36SS..Hα-helixtrans-95.1-28-176.700000113.4L17 R140 A141L17-A144 HydrophobicContact CD2-CB 4.1Å; R140-A144 WeakPolarHBondContact O-CB 3.36Å; R140-A144 PolarHBondContact O-N 2.96Å; A141-A144 PolarHBondContact O-N 3.37Å; A141-A144 VanDerWaalsContact O-N 3.16Å
145C82.6Confident85.5Confident55 Ų5569.6 Ų69.637%0.37237%0.367SS..  trans-74.6133.7179.6-750000111.3A141 N147A141-C145 VanDerWaalsContact O-CB 3.29Å; A141-C145 WeakPolarHBondContact O-CB 3.38Å; A141-C145 PolarHBondContact O-N 2.92Å; A141-C145 PolarHBondContact O-SG 2.97Å; C145-N147 PolarHBondContact O-N 3.03Å
146E81.3Confident85.3Confident203 Ų20364.4 Ų64.495%0.94935%0.348SS*.SBendtrans-59.4-34.3172.1-62.8178.1176.200112.1P148E146-P148 VanDerWaalsContact O-CD 3.24Å; E146-P148 WeakPolarHBondContact O-CD 3.47Å
147N82.5Confident85Confident91 Ų9169.7 Ų69.749%0.48737%0.367SS..  trans-112.686.1176.7-169-15.6000111.5C145 F149 A150C145-N147 PolarHBondContact O-N 3.03Å; N147-F149 PolarHBondContact O-N 3.3Å; N147-F149 WeakPolarHBondContact OD1-CB 3.4Å; N147-F149 PolarHBondContact OD1-N 3.17Å; N147-F149 VanDerWaalsContact OD1-N 3.16Å; N147-A150 HydrophobicContact CB-CB 4.3Å; N147-A150 PolarHBondContact O-N 3.49Å; N147-A150 PolarHBondContact OD1-N 3.4Å; N147-A150 VanDerWaalsContact OD1-N 3.16Å
148P80.7Confident84.8Confident34 Ų3470.5 Ų70.522%0.22138%0.375CS..Hα-helixtrans-61.5-28.1177.223-33.4000112.6D142 E146 L151 R152D142-P148 WeakPolarHBondContact OD1-CA 3.47Å; D142-P148 WeakPolarHBondContact OD1-CB 3.38Å; E146-P148 VanDerWaalsContact O-CD 3.24Å; E146-P148 WeakPolarHBondContact O-CD 3.47Å; P148-L151 PolarHBondContact O-N 2.95Å; P148-R152 WeakPolarHBondContact O-CD 3.48Å; P148-R152 WeakPolarHBondContact O-CG 3.4Å; P148-R152 PolarHBondContact O-N 3.17Å
149F78.2Confident84.8Confident102 Ų10272.7 Ų72.745%0.44738%0.383SS..Hα-helixtrans-67.1-44.3-179.8-65.2-81.7000112.7N147 L151 R152 I153N147-F149 PolarHBondContact O-N 3.3Å; N147-F149 WeakPolarHBondContact OD1-CB 3.4Å; N147-F149 PolarHBondContact OD1-N 3.17Å; N147-F149 VanDerWaalsContact OD1-N 3.16Å; F149-L151 VanDerWaalsContact C-N 3.27Å; F149-L151 PolarHBondContact O-N 2.82Å; F149-R152 PolarHBondContact O-N 2.87Å; F149-I153 WeakPolarHBondContact O-CG1 3.47Å; F149-I153 PolarHBondContact O-N 3.5Å
150A81.8Confident84.9Confident44 Ų4467.8 Ų67.836%0.36436%0.362SS..Hα-helixtrans-59.1-42.2176.600000111.2N147 I153 C154N147-A150 HydrophobicContact CB-CB 4.3Å; N147-A150 PolarHBondContact O-N 3.49Å; N147-A150 PolarHBondContact OD1-N 3.4Å; N147-A150 VanDerWaalsContact OD1-N 3.16Å; A150-I153 PolarHBondContact O-N 2.91Å; A150-C154 PolarHBondContact O-N 3.31Å; A150-C154 PolarHBondContact O-SG 3.41Å; A150-C154 VanDerWaalsContact O-SG 3.33Å
151L85.1Confident85Confident33 Ų3369.4 Ų69.417%0.17337%0.374CS..Hα-helixtrans-64.5-42.4176.6-172.377.4000112.2F138 A141 D142 P148 F149 I153 C154 K155F138-L151 HydrophobicContact CD1-CD1 4.42Å; F138-L151 HydrophobicContact CD1-CG 4.32Å; F138-L151 HydrophobicContact CE1-CD1 4.42Å; A141-L151 HydrophobicContact CB-CD1 4.21Å; A141-L151 HydrophobicContact CB-CD2 3.56Å; D142-L151 VanDerWaalsContact CA-CD2 3.41Å; D142-L151 HydrophobicContact CB-CD2 3.92Å; P148-L151 PolarHBondContact O-N 2.95Å; F149-L151 VanDerWaalsContact C-N 3.27Å; F149-L151 PolarHBondContact O-N 2.82Å; L151-I153 VanDerWaalsContact C-N 3.32Å; L151-I153 PolarHBondContact O-N 3.42Å; L151-C154 PolarHBondContact O-N 3.39Å; L151-K155 WeakPolarHBondContact O-CB 3.37Å; L151-K155 PolarHBondContact O-N 3.36Å
152R85Confident85.2Confident106 Ų10672.3 Ų72.340%0.438%0.383SS..Hα-helixtrans-61.8-39.6177-71.8165.9-171.4-169-2.3112.1D142 P148 F149 K155 L156D142-R152 IonicContact OD1-CZ 3.71Å; D142-R152 IonicContact OD1-NE 3.73Å; D142-R152 PolarHBondContact OD1-NE 3.42Å; D142-R152 VanDerWaalsContact OD1-NE 3.08Å; D142-R152 IonicContact OD1-NH2 3.07Å; D142-R152 IonicContact OD2-CZ 2.7Å; D142-R152 IonicContact OD2-NE 3.94Å; D142-R152 PolarHBondContact OD2-NE 2.86Å; D142-R152 IonicContact OD2-NH2 3.49Å; D142-R152 PolarHBondContact OD2-NH2 3.19Å; P148-R152 WeakPolarHBondContact O-CD 3.48Å; P148-R152 WeakPolarHBondContact O-CG 3.4Å; P148-R152 PolarHBondContact O-N 3.17Å; F149-R152 PolarHBondContact O-N 2.87Å; R152-K155 WeakPolarHBondContact O-CB 3.31Å; R152-K155 PolarHBondContact O-N 3.32Å; R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 PolarHBondContact O-N 3.34Å
153I82.8Confident85.5Confident45 Ų4573.7 Ų73.723%0.23139%0.389CS..Hα-helixtrans-63.9-50.5173.9-67.8168.1000110F149 A150 L151 K155 L156 Y157F149-I153 WeakPolarHBondContact O-CG1 3.47Å; F149-I153 PolarHBondContact O-N 3.5Å; A150-I153 PolarHBondContact O-N 2.91Å; L151-I153 VanDerWaalsContact C-N 3.32Å; L151-I153 PolarHBondContact O-N 3.42Å; I153-K155 VanDerWaalsContact C-N 3.29Å; I153-K155 PolarHBondContact O-N 3.44Å; I153-L156 PolarHBondContact O-N 2.99Å; I153-L156 VanDerWaalsContact O-N 3.09Å; I153-Y157 HydrophobicContact CG2-CD2 3.53Å; I153-Y157 HydrophobicContact CG2-CE2 3.61Å; I153-Y157 WeakPolarHBondContact O-CD2 3.32Å; I153-Y157 PolarHBondContact O-N 3.02Å
154C84.8Confident85.9Confident83 Ų8369.4 Ų69.456%0.56136%0.357SS*.Hα-helixtrans-56.5-43.5176.5-71.60000112.2A150 L151 L156 Y157 S158A150-C154 PolarHBondContact O-N 3.31Å; A150-C154 PolarHBondContact O-SG 3.41Å; A150-C154 VanDerWaalsContact O-SG 3.33Å; L151-C154 PolarHBondContact O-N 3.39Å; C154-L156 PolarHBondContact O-N 2.83Å; C154-Y157 PolarHBondContact O-N 3.35Å; C154-S158 WeakPolarHBondContact O-CB 3.07Å; C154-S158 PolarHBondContact O-N 2.81Å
155K86.7Confident86.4Confident59 Ų5966.6 Ų66.626%0.25733%0.333SS..Hα-helixtrans-57.4-48.7174.1-176.3-177.6-178.3176.50111F138 L151 R152 I153 S158 Y159F138-K155 HydrophobicContact CB-CD 4.01Å; F138-K155 HydrophobicContact CD1-CB 3.71Å; F138-K155 HydrophobicContact CD1-CD 3.85Å; F138-K155 HydrophobicContact CD1-CG 3.75Å; F138-K155 HydrophobicContact CE1-CB 3.63Å; F138-K155 HydrophobicContact CE1-CG 3.93Å; F138-K155 HydrophobicContact CG-CD 3.92Å; F138-K155 HydrophobicContact CG-CG 4.05Å; F138-K155 HydrophobicContact CZ-CB 4.41Å; F138-K155 HydrophobicContact CZ-CG 4.42Å; L151-K155 WeakPolarHBondContact O-CB 3.37Å; L151-K155 PolarHBondContact O-N 3.36Å; R152-K155 WeakPolarHBondContact O-CB 3.31Å; R152-K155 PolarHBondContact O-N 3.32Å; I153-K155 VanDerWaalsContact C-N 3.29Å; I153-K155 PolarHBondContact O-N 3.44Å; K155-S158 PolarHBondContact O-N 2.84Å; K155-S158 PolarHBondContact O-OG 2.79Å; K155-Y159 HydrophobicContact CD-CE2 4.24Å; K155-Y159 WeakPolarHBondContact CE-OH 3.35Å; K155-Y159 HydrophobicContact CG-CD2 4.43Å; K155-Y159 HydrophobicContact CG-CE2 3.72Å; K155-Y159 PolarHBondContact O-N 3.32Å; K155-Y159 VanDerWaalsContact O-N 3.14Å
156L86.3Confident87Confident8 Ų865 Ų654%0.04232%0.323CS..Hα-helixtrans-66.4-44-179.6-176.556.3000112.5R152 I153 C154 S158 Y159 V160 M236 L237 Q240R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 PolarHBondContact O-N 3.34Å; I153-L156 PolarHBondContact O-N 2.99Å; I153-L156 VanDerWaalsContact O-N 3.09Å; C154-L156 PolarHBondContact O-N 2.83Å; L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.43Å; L156-Y159 WeakPolarHBondContact O-CB 3.42Å; L156-Y159 PolarHBondContact O-N 3.22Å; L156-Y159 VanDerWaalsContact O-N 3.12Å; L156-V160 HydrophobicContact CD1-CG2 4.38Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.12Å; L156-V160 PolarHBondContact O-N 3.32Å; L156-M236 HydrophobicContact CD1-CB 4.26Å; L156-M236 HydrophobicContact CD2-CB 4.47Å; L156-L237 HydrophobicContact CD2-CB 4.27Å; L156-L237 HydrophobicContact CD2-CD2 3.5Å; L156-L237 VanDerWaalsContact CD2-CD2 3.5Å; L156-L237 HydrophobicContact CD2-CG 3.82Å; L156-L237 HydrophobicContact CG-CD2 3.61Å; L156-L237 HydrophobicContact CG-CG 4.06Å; L156-Q240 HydrophobicContact CD2-CB 4.31Å; L156-Q240 HydrophobicContact CD2-CG 4.1Å; L156-Q240 VanDerWaalsContact CD2-OE1 3.23Å
157Y87.2Confident87.5Confident135 Ų13556.2 Ų56.253%0.52928%0.282SS..Hα-helixtrans-58.9-38.5173.7-90.8-85.1000111.8I153 C154 Y159 V160 L161 L237I153-Y157 HydrophobicContact CG2-CD2 3.53Å; I153-Y157 HydrophobicContact CG2-CE2 3.61Å; I153-Y157 WeakPolarHBondContact O-CD2 3.32Å; I153-Y157 PolarHBondContact O-N 3.02Å; C154-Y157 PolarHBondContact O-N 3.35Å; Y157-Y159 VanDerWaalsContact C-N 3.33Å; Y157-Y159 PolarHBondContact O-N 3.44Å; Y157-V160 PolarHBondContact O-N 3.41Å; Y157-L161 WeakPolarHBondContact O-CB 3.35Å; Y157-L161 VanDerWaalsContact O-CG 3.25Å; Y157-L161 WeakPolarHBondContact O-CG 3.33Å; Y157-L161 PolarHBondContact O-N 3.03Å; Y157-L237 HydrophobicContact CD2-CD2 4.44Å; Y157-L237 HydrophobicContact CE2-CD2 4.28Å
158S87.6Confident88.2Confident41 Ų4151.9 Ų51.929%0.28726%0.259SS..Hα-helixtrans-62.2-39.4175.579.80000112.4C154 K155 L156 Y162C154-S158 WeakPolarHBondContact O-CB 3.07Å; C154-S158 PolarHBondContact O-N 2.81Å; K155-S158 PolarHBondContact O-N 2.84Å; K155-S158 PolarHBondContact O-OG 2.79Å; L156-S158 VanDerWaalsContact C-N 3.26Å; L156-S158 PolarHBondContact O-N 3.43Å; S158-Y162 WeakPolarHBondContact O-CB 3.44Å; S158-Y162 PolarHBondContact O-N 3.32Å
159Y89.4Confident88.9Confident74 Ų7450.4 Ų50.429%0.2925%0.249SC..Hα-helixtrans-66.8-44.8174.9-64.4-30.9000112.1F134 W135 K155 L156 Y157 Y162 M163F134-Y159 AromaticContact CE1-CE1 3.82Å; F134-Y159 HydrophobicContact CE1-CE1 3.82Å; F134-Y159 HydrophobicContact CZ-CE1 4.46Å; W135-Y159 VanDerWaalsContact CD1-OH 3.23Å; W135-Y159 AromaticContact NE1-CZ 3.97Å; W135-Y159 PolarHBondContact NE1-OH 3.36Å; K155-Y159 HydrophobicContact CD-CE2 4.24Å; K155-Y159 WeakPolarHBondContact CE-OH 3.35Å; K155-Y159 HydrophobicContact CG-CD2 4.43Å; K155-Y159 HydrophobicContact CG-CE2 3.72Å; K155-Y159 PolarHBondContact O-N 3.32Å; K155-Y159 VanDerWaalsContact O-N 3.14Å; L156-Y159 WeakPolarHBondContact O-CB 3.42Å; L156-Y159 PolarHBondContact O-N 3.22Å; L156-Y159 VanDerWaalsContact O-N 3.12Å; Y157-Y159 VanDerWaalsContact C-N 3.33Å; Y157-Y159 PolarHBondContact O-N 3.44Å; Y159-Y162 PolarHBondContact O-N 2.96Å; Y159-M163 WeakPolarHBondContact O-CG 3.15Å; Y159-M163 PolarHBondContact O-N 3.45Å
160V88.8Confident89.7Confident24 Ų2449.6 Ų49.615%0.14525%0.249CC..Hα-helixtrans-62-46.9179.2173.90000110.8L156 Y157 Y162 M163 I164 A233 L237L156-V160 HydrophobicContact CD1-CG2 4.38Å; L156-V160 VanDerWaalsContact O-CG2 3.31Å; L156-V160 WeakPolarHBondContact O-CG2 3.12Å; L156-V160 PolarHBondContact O-N 3.32Å; Y157-V160 PolarHBondContact O-N 3.41Å; V160-Y162 VanDerWaalsContact C-N 3.31Å; V160-Y162 PolarHBondContact O-N 3.32Å; V160-M163 PolarHBondContact O-N 3.35Å; V160-I164 HydrophobicContact CG1-CD1 4Å; V160-I164 WeakPolarHBondContact O-CG1 3.32Å; V160-I164 PolarHBondContact O-N 3.44Å; V160-A233 HydrophobicContact CG2-CB 4.34Å; V160-L237 HydrophobicContact CG1-CD1 4.41Å; V160-L237 HydrophobicContact CG2-CD1 3.78Å; V160-L237 HydrophobicContact CG2-CD2 4.38Å; V160-L237 HydrophobicContact CG2-CG 4.08Å
161L91.1Very high90.4Very high92 Ų9248 Ų4848%0.48223%0.233SC..Hα-helixtrans-60.8-40.4176.5-72.9171.7000112Y157 I164 H165 F198Y157-L161 WeakPolarHBondContact O-CB 3.35Å; Y157-L161 VanDerWaalsContact O-CG 3.25Å; Y157-L161 WeakPolarHBondContact O-CG 3.33Å; Y157-L161 PolarHBondContact O-N 3.03Å; L161-I164 PolarHBondContact O-N 3.21Å; L161-H165 VanDerWaalsContact O-CB 3.31Å; L161-H165 WeakPolarHBondContact O-CB 3.38Å; L161-H165 PolarHBondContact O-N 3.21Å; L161-F198 HydrophobicContact CD2-CZ 4.29Å
162Y92.7Very high90.9Very high75 Ų7547.6 Ų47.629%0.29423%0.23SC..Hα-helixtrans-64.3-43.5175.8179.5-112.9000112.3A31 S158 Y159 V160 I164 H165 C166A31-Y162 HydrophobicContact CB-CD2 4.48Å; A31-Y162 HydrophobicContact CB-CE2 3.93Å; A31-Y162 WeakPolarHBondContact O-CE2 3.37Å; S158-Y162 WeakPolarHBondContact O-CB 3.44Å; S158-Y162 PolarHBondContact O-N 3.32Å; Y159-Y162 PolarHBondContact O-N 2.96Å; V160-Y162 VanDerWaalsContact C-N 3.31Å; V160-Y162 PolarHBondContact O-N 3.32Å; Y162-I164 PolarHBondContact O-N 2.94Å; Y162-H165 WeakPolarHBondContact O-CB 3.38Å; Y162-H165 PolarHBondContact O-N 3.48Å; Y162-C166 VanDerWaalsContact CE2-SG 3.58Å; Y162-C166 PolarHBondContact O-N 2.83Å; Y162-C166 PolarHBondContact O-SG 3.22Å
163M91.4Very high91.4Very high71 Ų7146.3 Ų46.335%0.3523%0.231SC..Hα-helixtrans-63-42.6176.5-66.2-53.1-67.800112Y159 V160 H165 C166 N167 V229Y159-M163 WeakPolarHBondContact O-CG 3.15Å; Y159-M163 PolarHBondContact O-N 3.45Å; V160-M163 PolarHBondContact O-N 3.35Å; M163-H165 VanDerWaalsContact C-N 3.31Å; M163-H165 PolarHBondContact O-N 2.92Å; M163-C166 PolarHBondContact O-N 2.98Å; M163-N167 WeakPolarHBondContact O-CB 3.44Å; M163-N167 VanDerWaalsContact O-CG 3.29Å; M163-N167 PolarHBondContact O-N 3.12Å; M163-N167 PolarHBondContact O-ND2 3.47Å; M163-V229 HydrophobicContact CB-CG1 4.17Å; M163-V229 HydrophobicContact CE-CB 4.42Å; M163-V229 HydrophobicContact CE-CG1 3.39Å; M163-V229 HydrophobicContact CE-CG2 4.11Å; M163-V229 HydrophobicContact CG-CG1 4.39Å
164I92.8Very high91.9Very high19 Ų1945 Ų4510%0.09722%0.224CC..Hα-helixtrans-61-43.5174.4-66.9168.3000110.4V160 L161 Y162 N167 A168 F198 A201 T202V160-I164 HydrophobicContact CG1-CD1 4Å; V160-I164 WeakPolarHBondContact O-CG1 3.32Å; V160-I164 PolarHBondContact O-N 3.44Å; L161-I164 PolarHBondContact O-N 3.21Å; Y162-I164 PolarHBondContact O-N 2.94Å; I164-N167 PolarHBondContact O-N 3.49Å; I164-A168 WeakPolarHBondContact O-CB 3.42Å; I164-A168 PolarHBondContact O-N 3.2Å; I164-F198 HydrophobicContact CB-CE2 4.28Å; I164-F198 HydrophobicContact CB-CZ 4.31Å; I164-F198 HydrophobicContact CG2-CD1 4.27Å; I164-F198 HydrophobicContact CG2-CD2 3.93Å; I164-F198 HydrophobicContact CG2-CE1 3.95Å; I164-F198 HydrophobicContact CG2-CE2 3.59Å; I164-F198 HydrophobicContact CG2-CG 4.26Å; I164-F198 HydrophobicContact CG2-CZ 3.6Å; I164-A201 HydrophobicContact CG2-CB 4.19Å; I164-T202 HydrophobicContact CD1-CG2 4.42Å; I164-T202 WeakPolarHBondContact CG2-OG1 3.35Å
165H95Very high92.4Very high4 Ų441.1 Ų41.12%0.01920%0.197CC..Hα-helixtrans-60.1-46.917717376.2000112.2V32 L161 Y162 M163 A168 C169 Y194 F198V32-H165 PolarHBondContact O-NE2 3.33Å; L161-H165 VanDerWaalsContact O-CB 3.31Å; L161-H165 WeakPolarHBondContact O-CB 3.38Å; L161-H165 PolarHBondContact O-N 3.21Å; Y162-H165 WeakPolarHBondContact O-CB 3.38Å; Y162-H165 PolarHBondContact O-N 3.48Å; M163-H165 VanDerWaalsContact C-N 3.31Å; M163-H165 PolarHBondContact O-N 2.92Å; H165-A168 PolarHBondContact O-N 3.48Å; H165-C169 PolarHBondContact O-N 3.13Å; H165-C169 PolarHBondContact O-SG 3.09Å; H165-Y194 AromaticContact CE1-CE2 3.84Å; H165-Y194 AromaticContact ND1-CE2 3.53Å; H165-Y194 AromaticContact ND1-CZ 3.8Å; H165-Y194 PolarHBondContact ND1-OH 2.98Å; H165-Y194 VanDerWaalsContact ND1-OH 3.13Å; H165-F198 HydrophobicContact CB-CE2 4.34Å
166C94.6Very high92.8Very high23 Ų2341.2 Ų41.216%0.15521%0.205CC..Hα-helixtrans-62.1-44.6175.7-71.40000111.9Y162 M163 A168 C169 I170Y162-C166 VanDerWaalsContact CE2-SG 3.58Å; Y162-C166 PolarHBondContact O-N 2.83Å; Y162-C166 PolarHBondContact O-SG 3.22Å; M163-C166 PolarHBondContact O-N 2.98Å; C166-A168 VanDerWaalsContact C-N 3.32Å; C166-A168 PolarHBondContact O-N 3.45Å; C166-C169 WeakPolarHBondContact O-CB 3.31Å; C166-C169 PolarHBondContact O-N 3.41Å; C166-I170 WeakPolarHBondContact O-CG1 3.34Å; C166-I170 PolarHBondContact O-N 3.4Å
167N93.7Very high93.2Very high17 Ų1749.1 Ų49.19%0.09123%0.234CC..Hα-helixtrans-61.3-41.6176.2-73.2-16.5000111.6M163 I164 C169 I170 Y171 A201 Y222M163-N167 WeakPolarHBondContact O-CB 3.44Å; M163-N167 VanDerWaalsContact O-CG 3.29Å; M163-N167 PolarHBondContact O-N 3.12Å; M163-N167 PolarHBondContact O-ND2 3.47Å; I164-N167 PolarHBondContact O-N 3.49Å; N167-C169 VanDerWaalsContact C-N 3.33Å; N167-C169 PolarHBondContact O-N 3.36Å; N167-I170 PolarHBondContact O-N 2.92Å; N167-Y171 VanDerWaalsContact O-CB 3.28Å; N167-Y171 WeakPolarHBondContact O-CB 3.5Å; N167-Y171 PolarHBondContact O-N 3.41Å; N167-A201 HydrophobicContact CB-CB 4.01Å; N167-Y222 PolarHBondContact O-OH 2.88Å
168A95.7Very high93.5Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-62.4-39.9175.900000112.4I164 H165 C166 Y172 C197 F198 A201I164-A168 WeakPolarHBondContact O-CB 3.42Å; I164-A168 PolarHBondContact O-N 3.2Å; H165-A168 PolarHBondContact O-N 3.48Å; C166-A168 VanDerWaalsContact C-N 3.32Å; C166-A168 PolarHBondContact O-N 3.45Å; A168-Y172 PolarHBondContact O-N 3.01Å; A168-Y172 VanDerWaalsContact O-N 3.08Å; A168-C197 HydrophobicContact CB-CB 4.2Å; A168-F198 HydrophobicContact CB-CB 4.3Å; A168-F198 HydrophobicContact CB-CD2 4.39Å; A168-A201 HydrophobicContact CB-CB 4.01Å
169C96Very high93.8Very high3 Ų344.5 Ų44.52%0.0222%0.221CC..Hα-helixtrans-62.7-48.6174.6-71.60000111.7P35 S39 F40 H165 C166 N167 Y172 L173P35-C169 HydrophobicContact CB-CB 4.32Å; S39-C169 VanDerWaalsContact OG-CB 3.29Å; S39-C169 WeakPolarHBondContact OG-CB 3.33Å; F40-C169 HydrophobicContact CE2-CB 4.41Å; H165-C169 PolarHBondContact O-N 3.13Å; H165-C169 PolarHBondContact O-SG 3.09Å; C166-C169 WeakPolarHBondContact O-CB 3.31Å; C166-C169 PolarHBondContact O-N 3.41Å; N167-C169 VanDerWaalsContact C-N 3.33Å; N167-C169 PolarHBondContact O-N 3.36Å; C169-Y172 PolarHBondContact O-N 3.48Å; C169-L173 WeakPolarHBondContact O-CG 3.36Å; C169-L173 PolarHBondContact O-N 2.96Å
170I95.1Very high94Very high86 Ų8644.7 Ų44.744%0.44123%0.226SC..Hα-helixtrans-63.5-42.9178.6-65.9165.6000110.7C166 N167 Y172 L173 L174 Y222C166-I170 WeakPolarHBondContact O-CG1 3.34Å; C166-I170 PolarHBondContact O-N 3.4Å; N167-I170 PolarHBondContact O-N 2.92Å; I170-Y172 VanDerWaalsContact C-N 3.33Å; I170-Y172 PolarHBondContact O-N 3.25Å; I170-L173 WeakPolarHBondContact O-CB 3.33Å; I170-L173 PolarHBondContact O-N 3.26Å; I170-L174 WeakPolarHBondContact O-CB 3.2Å; I170-L174 PolarHBondContact O-N 3.14Å; I170-Y222 HydrophobicContact CB-CE2 4.35Å; I170-Y222 HydrophobicContact CG2-CD2 3.89Å; I170-Y222 HydrophobicContact CG2-CE2 3.86Å
171Y95.5Very high94.1Very high10 Ų1045.7 Ų45.74%0.03924%0.241CC..Hα-helixtrans-60.5-41.9177.7177.6-112.5000112.8N167 L174 S175 F185 L186 Y187 C197 F200 Y222N167-Y171 VanDerWaalsContact O-CB 3.28Å; N167-Y171 WeakPolarHBondContact O-CB 3.5Å; N167-Y171 PolarHBondContact O-N 3.41Å; Y171-L174 PolarHBondContact O-N 3.45Å; Y171-S175 WeakPolarHBondContact O-CB 3.24Å; Y171-S175 PolarHBondContact O-N 2.94Å; Y171-S175 PolarHBondContact O-OG 3.09Å; Y171-F185 HydrophobicContact CE2-CD1 4.44Å; Y171-F185 HydrophobicContact CE2-CE1 4.08Å; Y171-F185 PolarHBondContact OH-O 3.48Å; Y171-L186 WeakPolarHBondContact OH-CA 3.43Å; Y171-Y187 PolarHBondContact OH-N 2.7Å; Y171-Y187 VanDerWaalsContact OH-N 3.09Å; Y171-C197 HydrophobicContact CD1-CB 3.82Å; Y171-C197 HydrophobicContact CE1-CB 4.43Å; Y171-F200 AromaticContact CD1-CD1 3.83Å; Y171-F200 HydrophobicContact CD1-CD1 3.83Å; Y171-F200 HydrophobicContact CD1-CE1 4.45Å; Y171-F200 HydrophobicContact CD1-CG 4.44Å; Y171-F200 AromaticContact CD2-CD1 3.74Å; Y171-F200 HydrophobicContact CD2-CD1 3.74Å; Y171-F200 AromaticContact CD2-CE1 3.5Å; Y171-F200 HydrophobicContact CD2-CE1 3.5Å; Y171-F200 HydrophobicContact CD2-CZ 4.4Å; Y171-F200 HydrophobicContact CE1-CB 4.17Å; Y171-F200 AromaticContact CE1-CD1 3.71Å; Y171-F200 HydrophobicContact CE1-CD1 3.71Å; Y171-F200 HydrophobicContact CE1-CE1 4.29Å; Y171-F200 AromaticContact CE1-CG 3.97Å; Y171-F200 HydrophobicContact CE1-CG 3.97Å; Y171-F200 AromaticContact CE2-CD1 3.61Å; Y171-F200 HydrophobicContact CE2-CD1 3.61Å; Y171-F200 AromaticContact CE2-CE1 3.3Å; Y171-F200 HydrophobicContact CE2-CE1 3.3Å; Y171-F200 HydrophobicContact CE2-CG 4.35Å; Y171-F200 AromaticContact CE2-CZ 3.81Å; Y171-F200 HydrophobicContact CE2-CZ 3.81Å; Y171-F200 AromaticContact CG-CD1 3.84Å; Y171-F200 HydrophobicContact CG-CD1 3.84Å; Y171-F200 HydrophobicContact CG-CE1 4.08Å; Y171-F200 AromaticContact CZ-CD1 3.59Å; Y171-F200 AromaticContact CZ-CE1 3.73Å; Y171-F200 AromaticContact CZ-CG 3.91Å; Y171-Y222 WeakPolarHBondContact CB-OH 3.31Å; Y171-Y222 HydrophobicContact CD2-CE1 4.02Å
172Y96.4Very high94.2Very high24 Ų2444.7 Ų44.79%0.09424%0.242CC..Hα-helixtrans-65.4-44.1175.1-175.6-102.2000111.5S39 F40 A168 C169 I170 L174 S175 C176 Y187 P193S39-Y172 WeakPolarHBondContact O-CD1 3.48Å; S39-Y172 WeakPolarHBondContact O-CE1 3.47Å; F40-Y172 AromaticContact CD1-CD1 3.66Å; F40-Y172 HydrophobicContact CD1-CD1 3.66Å; F40-Y172 AromaticContact CD1-CD2 3.91Å; F40-Y172 HydrophobicContact CD1-CD2 3.91Å; F40-Y172 AromaticContact CD1-CE1 3.93Å; F40-Y172 HydrophobicContact CD1-CE1 3.93Å; F40-Y172 HydrophobicContact CD1-CE2 4.17Å; F40-Y172 AromaticContact CD1-CG 3.63Å; F40-Y172 HydrophobicContact CD1-CG 3.63Å; F40-Y172 VanDerWaalsContact CE1-CB 3.49Å; F40-Y172 AromaticContact CE1-CD1 3.84Å; F40-Y172 HydrophobicContact CE1-CD1 3.84Å; F40-Y172 AromaticContact CE1-CD2 3.57Å; F40-Y172 HydrophobicContact CE1-CD2 3.57Å; F40-Y172 HydrophobicContact CE1-CE1 4.47Å; F40-Y172 HydrophobicContact CE1-CE2 4.25Å; F40-Y172 AromaticContact CE1-CG 3.32Å; F40-Y172 HydrophobicContact CE1-CG 3.32Å; F40-Y172 HydrophobicContact CG-CD1 4.14Å; F40-Y172 HydrophobicContact CG-CE1 4.44Å; F40-Y172 HydrophobicContact CG-CG 4.45Å; F40-Y172 HydrophobicContact CZ-CD1 4.46Å; F40-Y172 HydrophobicContact CZ-CD2 4.5Å; F40-Y172 AromaticContact CZ-CG 3.94Å; F40-Y172 HydrophobicContact CZ-CG 3.94Å; A168-Y172 PolarHBondContact O-N 3.01Å; A168-Y172 VanDerWaalsContact O-N 3.08Å; C169-Y172 PolarHBondContact O-N 3.48Å; I170-Y172 VanDerWaalsContact C-N 3.33Å; I170-Y172 PolarHBondContact O-N 3.25Å; Y172-L174 VanDerWaalsContact C-N 3.32Å; Y172-L174 PolarHBondContact O-N 2.63Å; Y172-S175 WeakPolarHBondContact O-CB 3.45Å; Y172-S175 PolarHBondContact O-N 3.33Å; Y172-C176 VanDerWaalsContact CE1-SG 3.53Å; Y172-C176 PolarHBondContact O-N 3.44Å; Y172-C176 PolarHBondContact O-SG 3.33Å; Y172-C176 VanDerWaalsContact O-SG 3.42Å; Y172-Y187 HydrophobicContact CD2-CD1 4.06Å; Y172-Y187 HydrophobicContact CD2-CE1 4.5Å; Y172-Y187 AromaticContact CE2-CD1 3.92Å; Y172-Y187 HydrophobicContact CE2-CD1 3.92Å; Y172-Y187 HydrophobicContact CE2-CE1 4.05Å; Y172-P193 HydrophobicContact CD2-CB 4.09Å; Y172-P193 HydrophobicContact CE2-CB 3.61Å
173L95.1Very high94.2Very high80 Ų8042.7 Ų42.742%0.41924%0.236SC..Hα-helixtrans-59.4-42.2174.6-74.7172.9000112.1S39 C169 I170 C176 W177S39-L173 WeakPolarHBondContact OG-CD1 3.46Å; C169-L173 WeakPolarHBondContact O-CG 3.36Å; C169-L173 PolarHBondContact O-N 2.96Å; I170-L173 WeakPolarHBondContact O-CB 3.33Å; I170-L173 PolarHBondContact O-N 3.26Å; L173-C176 PolarHBondContact O-N 3.12Å; L173-W177 VanDerWaalsContact O-CB 3.31Å; L173-W177 WeakPolarHBondContact O-CB 3.09Å; L173-W177 PolarHBondContact O-N 3.35Å
174L94.9Very high94.2Very high18 Ų1845.5 Ų45.59%0.09426%0.257CS..Hα-helixtrans-62.1-44175.4-177.867000111.2I170 Y171 Y172 C176 W177 I178 F185 L186 I218 E219 Y222I170-L174 WeakPolarHBondContact O-CB 3.2Å; I170-L174 PolarHBondContact O-N 3.14Å; Y171-L174 PolarHBondContact O-N 3.45Å; Y172-L174 VanDerWaalsContact C-N 3.32Å; Y172-L174 PolarHBondContact O-N 2.63Å; L174-C176 VanDerWaalsContact C-N 3.35Å; L174-C176 PolarHBondContact O-N 3.27Å; L174-W177 HydrophobicContact CD1-CE3 4.19Å; L174-W177 PolarHBondContact O-N 2.91Å; L174-W177 VanDerWaalsContact O-N 3.17Å; L174-I178 HydrophobicContact CD1-CD1 3.84Å; L174-I178 HydrophobicContact CD1-CG1 4.25Å; L174-I178 HydrophobicContact CG-CD1 4.17Å; L174-I178 PolarHBondContact O-N 2.82Å; L174-F185 HydrophobicContact CD2-CE1 4.49Å; L174-L186 HydrophobicContact CD2-CD2 4.37Å; L174-L186 HydrophobicContact CG-CD2 4.2Å; L174-I218 HydrophobicContact CD1-CG2 3.74Å; L174-E219 HydrophobicContact CD2-CG 4.45Å; L174-Y222 HydrophobicContact CD2-CD1 4.18Å; L174-Y222 HydrophobicContact CD2-CD2 4.4Å; L174-Y222 HydrophobicContact CD2-CG 3.92Å
175S95.3Very high94.2Very high0 Ų044.6 Ų44.60%025%0.252CS..Hα-helixtrans-63-39.9175.9-58.60000112Y171 Y172 G179 I180 Y187Y171-S175 WeakPolarHBondContact O-CB 3.24Å; Y171-S175 PolarHBondContact O-N 2.94Å; Y171-S175 PolarHBondContact O-OG 3.09Å; Y172-S175 WeakPolarHBondContact O-CB 3.45Å; Y172-S175 PolarHBondContact O-N 3.33Å; S175-G179 CarbonylContact O-C 3.55Å; S175-G179 VanDerWaalsContact O-CA 3.32Å; S175-G179 WeakPolarHBondContact O-CA 3.3Å; S175-G179 PolarHBondContact O-N 3.08Å; S175-I180 PolarHBondContact O-N 3.39Å; S175-Y187 PolarHBondContact OG-N 3.5Å; S175-Y187 VanDerWaalsContact OG-N 3.12Å
176C94.1Very high94.2Very high61 Ų6144.8 Ų44.841%0.41225%0.254SS..Hα-helixtrans-67.4-35.2173.1-71.30000112.8Y172 L173 L174Y172-C176 VanDerWaalsContact CE1-SG 3.53Å; Y172-C176 PolarHBondContact O-N 3.44Å; Y172-C176 PolarHBondContact O-SG 3.33Å; Y172-C176 VanDerWaalsContact O-SG 3.42Å; L173-C176 PolarHBondContact O-N 3.12Å; L174-C176 VanDerWaalsContact C-N 3.35Å; L174-C176 PolarHBondContact O-N 3.27Å
177W94.2Very high94.1Very high174 Ų17444.4 Ų44.466%0.65925%0.249SC*.Hα-helixtrans-74.6-44.1-176.5-178.469.1000112.9L173 L174 I218L173-W177 VanDerWaalsContact O-CB 3.31Å; L173-W177 WeakPolarHBondContact O-CB 3.09Å; L173-W177 PolarHBondContact O-N 3.35Å; L174-W177 HydrophobicContact CD1-CE3 4.19Å; L174-W177 PolarHBondContact O-N 2.91Å; L174-W177 VanDerWaalsContact O-N 3.17Å; W177-I218 HydrophobicContact CH2-CD1 3.37Å; W177-I218 HydrophobicContact CZ3-CD1 3.36Å; W177-I218 HydrophobicContact CZ3-CG2 4.21Å
178I93.9Very high94.1Very high55 Ų5547.5 Ų47.528%0.28227%0.266SS..Hα-helixtrans-78.8-39.5176.8-59.7179.6000110.9L174 L186 E219L174-I178 HydrophobicContact CD1-CD1 3.84Å; L174-I178 HydrophobicContact CD1-CG1 4.25Å; L174-I178 HydrophobicContact CG-CD1 4.17Å; L174-I178 PolarHBondContact O-N 2.82Å; I178-L186 HydrophobicContact CB-CD1 3.66Å; I178-L186 HydrophobicContact CD1-CD1 4.19Å; I178-L186 HydrophobicContact CD1-CD2 4.4Å; I178-L186 HydrophobicContact CG1-CD1 4.46Å; I178-L186 HydrophobicContact CG2-CD1 3.6Å; I178-E219 HydrophobicContact CD1-CG 4.01Å; I178-E219 WeakPolarHBondContact CD1-OE1 3.43Å
179G93.5Very high93.9Very high24 Ų2449.6 Ų49.625%0.24729%0.287CS..  trans131.6120.7-176.800000111S175 G181 S182S175-G179 CarbonylContact O-C 3.55Å; S175-G179 VanDerWaalsContact O-CA 3.32Å; S175-G179 WeakPolarHBondContact O-CA 3.3Å; S175-G179 PolarHBondContact O-N 3.08Å; G179-G181 PolarHBondContact O-N 3.24Å; G179-S182 VanDerWaalsContact O-CB 3.25Å; G179-S182 WeakPolarHBondContact O-CB 3.45Å; G179-S182 PolarHBondContact O-N 2.96Å; G179-S182 VanDerWaalsContact O-N 3.16Å; G179-S182 PolarHBondContact O-OG 3.38Å
180I93.6Very high93.8Very high78 Ų7852.8 Ų52.840%0.431%0.308SS..THydrogen-bonded Turntrans-62.9128.8180-61.9178.3000108.8S175 S182 Y187 G189S175-I180 PolarHBondContact O-N 3.39Å; I180-S182 PolarHBondContact O-N 3.45Å; I180-Y187 CarbonylContact C-O 3.56Å; I180-Y187 HydrophobicContact CG2-CD1 4.08Å; I180-Y187 WeakPolarHBondContact CG2-O 3.28Å; I180-G189 VanDerWaalsContact CG2-CA 3.46Å
181G91.3Very high93.6Very high45 Ų4551.8 Ų51.846%0.46432%0.32SS..THydrogen-bonded Turntrans69.611.8-17900000115.1G179 N183 Y187G179-G181 PolarHBondContact O-N 3.24Å; G181-N183 VanDerWaalsContact C-N 3.32Å; G181-N183 PolarHBondContact O-N 3.16Å; G181-Y187 PolarHBondContact N-O 3.2Å
182S92.7Very high93.6Very high71 Ų7155.3 Ų55.350%0.49734%0.339SS..SBendtrans-68.4-30.2-179.958.20000113.4G179 I180 L186G179-S182 VanDerWaalsContact O-CB 3.25Å; G179-S182 WeakPolarHBondContact O-CB 3.45Å; G179-S182 PolarHBondContact O-N 2.96Å; G179-S182 VanDerWaalsContact O-N 3.16Å; G179-S182 PolarHBondContact O-OG 3.38Å; I180-S182 PolarHBondContact O-N 3.45Å; S182-L186 VanDerWaalsContact OG-CD1 3.3Å; S182-L186 WeakPolarHBondContact OG-CD1 3.25Å
183N93Very high93.5Very high33 Ų3356.1 Ų56.118%0.17635%0.347CS..SBendtrans-143.8175.1174.965.426.5000110.7G181 F185 L186 T215 E219G181-N183 VanDerWaalsContact C-N 3.32Å; G181-N183 PolarHBondContact O-N 3.16Å; N183-F185 VanDerWaalsContact C-N 3.26Å; N183-F185 PolarHBondContact O-N 3.25Å; N183-F185 PolarHBondContact OD1-N 3.19Å; N183-F185 VanDerWaalsContact OD1-N 3.13Å; N183-L186 WeakPolarHBondContact OD1-CB 3.25Å; N183-L186 WeakPolarHBondContact OD1-CD1 3.36Å; N183-L186 WeakPolarHBondContact OD1-CG 3.32Å; N183-L186 PolarHBondContact OD1-N 2.99Å; N183-T215 HydrophobicContact CB-CG2 4.33Å; N183-T215 PolarHBondContact ND2-OG1 3.44Å; N183-E219 PolarHBondContact ND2-OE1 3.44Å; N183-E219 PolarHBondContact ND2-OE2 3.29Å
184V91.8Very high93.5Very high130 Ų13055.3 Ų55.379%0.78834%0.339SS*.SBendtrans-71.2-23-177.4-172.70000112.3P212V184-P212 HydrophobicContact CG1-CB 4.1Å; V184-P212 WeakPolarHBondContact O-CB 3.42Å; V184-P212 WeakPolarHBondContact O-CG 3.49Å
185F93.1Very high93.6Very high1 Ų159.6 Ų59.60%0.00436%0.362CS..SBendtrans-73.8-36.8-179.6-177.9-96.6000112.7Y171 L174 N183 F200 P212 P214 E219 Y222 M223Y171-F185 HydrophobicContact CE2-CD1 4.44Å; Y171-F185 HydrophobicContact CE2-CE1 4.08Å; Y171-F185 PolarHBondContact OH-O 3.48Å; L174-F185 HydrophobicContact CD2-CE1 4.49Å; N183-F185 VanDerWaalsContact C-N 3.26Å; N183-F185 PolarHBondContact O-N 3.25Å; N183-F185 PolarHBondContact OD1-N 3.19Å; N183-F185 VanDerWaalsContact OD1-N 3.13Å; F185-F200 HydrophobicContact CD2-CZ 4.41Å; F185-F200 AromaticContact CE2-CZ 3.81Å; F185-F200 HydrophobicContact CE2-CZ 3.81Å; F185-F200 HydrophobicContact CZ-CE1 4.32Å; F185-F200 AromaticContact CZ-CZ 3.86Å; F185-F200 HydrophobicContact CZ-CZ 3.86Å; F185-P212 HydrophobicContact CD2-CB 4.49Å; F185-P212 HydrophobicContact CD2-CG 4.21Å; F185-P212 VanDerWaalsContact CD2-O 3.31Å; F185-P212 WeakPolarHBondContact CD2-O 3.42Å; F185-P214 HydrophobicContact CD2-CB 4.32Å; F185-P214 HydrophobicContact CE2-CB 4.31Å; F185-E219 HydrophobicContact CD1-CB 3.94Å; F185-E219 HydrophobicContact CD1-CG 3.71Å; F185-E219 HydrophobicContact CE1-CB 3.91Å; F185-E219 HydrophobicContact CE1-CG 3.97Å; F185-E219 HydrophobicContact CZ-CB 4.45Å; F185-Y222 HydrophobicContact CE1-CD1 4.13Å; F185-Y222 HydrophobicContact CE1-CE1 4.43Å; F185-Y222 AromaticContact CZ-CD1 3.9Å; F185-Y222 HydrophobicContact CZ-CD1 3.9Å; F185-Y222 HydrophobicContact CZ-CE1 4.1Å; F185-M223 HydrophobicContact CE2-SD 4.34Å
186L94.2Very high93.5Very high8 Ų865.4 Ų65.44%0.04238%0.383CS..SBendtrans-86.1165.7-171.3-63.4169.9000112.6Y171 L174 I178 S182 N183 D188Y171-L186 WeakPolarHBondContact OH-CA 3.43Å; L174-L186 HydrophobicContact CD2-CD2 4.37Å; L174-L186 HydrophobicContact CG-CD2 4.2Å; I178-L186 HydrophobicContact CB-CD1 3.66Å; I178-L186 HydrophobicContact CD1-CD1 4.19Å; I178-L186 HydrophobicContact CD1-CD2 4.4Å; I178-L186 HydrophobicContact CG1-CD1 4.46Å; I178-L186 HydrophobicContact CG2-CD1 3.6Å; S182-L186 VanDerWaalsContact OG-CD1 3.3Å; S182-L186 WeakPolarHBondContact OG-CD1 3.25Å; N183-L186 WeakPolarHBondContact OD1-CB 3.25Å; N183-L186 WeakPolarHBondContact OD1-CD1 3.36Å; N183-L186 WeakPolarHBondContact OD1-CG 3.32Å; N183-L186 PolarHBondContact OD1-N 2.99Å; L186-D188 PolarHBondContact O-N 2.77Å
187Y94.1Very high93.6Very high14 Ų1462.5 Ų62.56%0.05536%0.364CS..  trans-59.6129.7176.9175.4-127.9000110.7Y171 Y172 S175 I180 G181 G189 C190 G191 P193 R196Y171-Y187 PolarHBondContact OH-N 2.7Å; Y171-Y187 VanDerWaalsContact OH-N 3.09Å; Y172-Y187 HydrophobicContact CD2-CD1 4.06Å; Y172-Y187 HydrophobicContact CD2-CE1 4.5Å; Y172-Y187 AromaticContact CE2-CD1 3.92Å; Y172-Y187 HydrophobicContact CE2-CD1 3.92Å; Y172-Y187 HydrophobicContact CE2-CE1 4.05Å; S175-Y187 PolarHBondContact OG-N 3.5Å; S175-Y187 VanDerWaalsContact OG-N 3.12Å; I180-Y187 CarbonylContact C-O 3.56Å; I180-Y187 HydrophobicContact CG2-CD1 4.08Å; I180-Y187 WeakPolarHBondContact CG2-O 3.28Å; G181-Y187 PolarHBondContact N-O 3.2Å; Y187-G189 VanDerWaalsContact C-N 3.28Å; Y187-G189 VanDerWaalsContact CE1-CA 3.43Å; Y187-G189 PolarHBondContact O-N 3.38Å; Y187-G189 VanDerWaalsContact OH-C 3.29Å; Y187-C190 WeakPolarHBondContact CE2-O 3.45Å; Y187-C190 VanDerWaalsContact OH-C 3.31Å; Y187-C190 PolarHBondContact OH-N 2.95Å; Y187-C190 PolarHBondContact OH-O 3.16Å; Y187-G191 PolarHBondContact OH-O 3.36Å; Y187-P193 HydrophobicContact CE1-CB 3.74Å; Y187-P193 WeakPolarHBondContact OH-CA 3.43Å; Y187-R196 HydrophobicContact CD2-CB 4.03Å; Y187-R196 HydrophobicContact CE2-CB 3.65Å; Y187-R196 HydrophobicContact CE2-CG 3.91Å
188D92.3Very high93.6Very high83 Ų8356.5 Ų56.544%0.44434%0.342SS..  trans-75.7-10.2-175.564.6-7.7000114.4L186 C190L186-D188 PolarHBondContact O-N 2.77Å; D188-C190 VanDerWaalsContact C-N 3.3Å; D188-C190 PolarHBondContact OD1-N 3.05Å; D188-C190 WeakPolarHBondContact OD2-CB 3.26Å
189G92.4Very high93.6Very high43 Ų4360.1 Ų60.144%0.44335%0.354SS..SBendtrans83.60.9-175.900000114.4I180 Y187I180-G189 VanDerWaalsContact CG2-CA 3.46Å; Y187-G189 VanDerWaalsContact C-N 3.28Å; Y187-G189 VanDerWaalsContact CE1-CA 3.43Å; Y187-G189 PolarHBondContact O-N 3.38Å; Y187-G189 VanDerWaalsContact OH-C 3.29Å
190C92.4Very high93.6Very high70 Ų7059.8 Ų59.847%0.47335%0.345SS..  trans-95.5142.2-176.3-68.10000112.5Y187 D188Y187-C190 WeakPolarHBondContact CE2-O 3.45Å; Y187-C190 VanDerWaalsContact OH-C 3.31Å; Y187-C190 PolarHBondContact OH-N 2.95Å; Y187-C190 PolarHBondContact OH-O 3.16Å; D188-C190 VanDerWaalsContact C-N 3.3Å; D188-C190 PolarHBondContact OD1-N 3.05Å; D188-C190 WeakPolarHBondContact OD2-CB 3.26Å
191G92.6Very high93.5Very high66 Ų6656.2 Ų56.268%0.6833%0.327SS*.SBendtrans72.6-154.3175.900000113.9Y187 P193Y187-G191 PolarHBondContact OH-O 3.36Å; G191-P193 WeakPolarHBondContact O-CD 3.15Å
192N94.2Very high93.5Very high83 Ų8355.7 Ų55.744%0.44432%0.315SS..  trans-80.1117.5178.8-178.4-42.6000110Y194 L195 R196N192-Y194 VanDerWaalsContact C-N 3.33Å; N192-Y194 PolarHBondContact O-N 2.72Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.34Å; N192-Y194 PolarHBondContact OD1-N 3.12Å; N192-L195 HydrophobicContact CB-CB 4.12Å; N192-L195 HydrophobicContact CB-CD1 4.01Å; N192-L195 HydrophobicContact CB-CG 4.21Å; N192-L195 PolarHBondContact O-N 3.25Å; N192-L195 PolarHBondContact OD1-N 2.87Å; N192-R196 WeakPolarHBondContact O-CB 3.27Å; N192-R196 WeakPolarHBondContact O-CG 3.35Å; N192-R196 PolarHBondContact O-N 3.08Å
193P94.7Very high93.3Very high42 Ų4254.8 Ų54.827%0.27330%0.302SS..Hα-helixtrans-61.8-40.6-174.224.2-34.2000112.2F40 Y172 Y187 G191 C197F40-P193 HydrophobicContact CD1-CB 4.06Å; F40-P193 HydrophobicContact CD1-CG 4.31Å; F40-P193 HydrophobicContact CE1-CB 4.15Å; Y172-P193 HydrophobicContact CD2-CB 4.09Å; Y172-P193 HydrophobicContact CE2-CB 3.61Å; Y187-P193 HydrophobicContact CE1-CB 3.74Å; Y187-P193 WeakPolarHBondContact OH-CA 3.43Å; G191-P193 WeakPolarHBondContact O-CD 3.15Å; P193-C197 VanDerWaalsContact O-CB 3.26Å; P193-C197 WeakPolarHBondContact O-CB 3.31Å; P193-C197 PolarHBondContact O-N 2.94Å; P193-C197 PolarHBondContact O-SG 2.86Å
194Y96Very high93.1Very high63 Ų6353.3 Ų53.325%0.24730%0.295CS..Hα-helixtrans-63.6-51.3178.8177.9-102.4000111.3L36 F40 H165 N192 R196 C197 F198L36-Y194 HydrophobicContact CD1-CD2 3.48Å; L36-Y194 VanDerWaalsContact CD1-CD2 3.48Å; L36-Y194 HydrophobicContact CD1-CE2 3.69Å; L36-Y194 HydrophobicContact CD1-CG 4.23Å; F40-Y194 HydrophobicContact CD2-CD2 4.13Å; F40-Y194 AromaticContact CE2-CD2 3.7Å; F40-Y194 HydrophobicContact CE2-CD2 3.7Å; F40-Y194 HydrophobicContact CE2-CE2 4.4Å; F40-Y194 AromaticContact CZ-CD2 3.94Å; F40-Y194 HydrophobicContact CZ-CD2 3.94Å; H165-Y194 AromaticContact CE1-CE2 3.84Å; H165-Y194 AromaticContact ND1-CE2 3.53Å; H165-Y194 AromaticContact ND1-CZ 3.8Å; H165-Y194 PolarHBondContact ND1-OH 2.98Å; H165-Y194 VanDerWaalsContact ND1-OH 3.13Å; N192-Y194 VanDerWaalsContact C-N 3.33Å; N192-Y194 PolarHBondContact O-N 2.72Å; N192-Y194 WeakPolarHBondContact OD1-CB 3.34Å; N192-Y194 PolarHBondContact OD1-N 3.12Å; Y194-R196 VanDerWaalsContact C-N 3.33Å; Y194-R196 PolarHBondContact O-N 2.87Å; Y194-C197 PolarHBondContact O-N 2.9Å; Y194-F198 HydrophobicContact CE1-CD2 4.39Å; Y194-F198 HydrophobicContact CE2-CD2 4.43Å; Y194-F198 AromaticContact CZ-CD2 3.89Å; Y194-F198 WeakPolarHBondContact O-CB 3.45Å; Y194-F198 PolarHBondContact O-N 2.88Å
195L95.8Very high92.8Very high108 Ų10847.8 Ų47.857%0.56526%0.263SS*.Hα-helixtrans-63.4-39-178.4-69175.7000112.2N192 Y199N192-L195 HydrophobicContact CB-CB 4.12Å; N192-L195 HydrophobicContact CB-CD1 4.01Å; N192-L195 HydrophobicContact CB-CG 4.21Å; N192-L195 PolarHBondContact O-N 3.25Å; N192-L195 PolarHBondContact OD1-N 2.87Å; L195-Y199 WeakPolarHBondContact O-CB 3.45Å; L195-Y199 PolarHBondContact O-N 3.45Å
196R94.6Very high92.3Very high121 Ų12152.1 Ų52.146%0.45729%0.286SS..Hα-helixtrans-66-47.2177.3-73-68.9-149.8-169.57.2112Y187 N192 Y194 F198 Y199 F200Y187-R196 HydrophobicContact CD2-CB 4.03Å; Y187-R196 HydrophobicContact CE2-CB 3.65Å; Y187-R196 HydrophobicContact CE2-CG 3.91Å; N192-R196 WeakPolarHBondContact O-CB 3.27Å; N192-R196 WeakPolarHBondContact O-CG 3.35Å; N192-R196 PolarHBondContact O-N 3.08Å; Y194-R196 VanDerWaalsContact C-N 3.33Å; Y194-R196 PolarHBondContact O-N 2.87Å; R196-F198 VanDerWaalsContact C-N 3.35Å; R196-Y199 PolarHBondContact O-N 2.87Å; R196-F200 PolarHBondContact O-N 3.32Å
197C95.2Very high91.6Very high0 Ų055.2 Ų55.20%031%0.308CS..Hα-helixtrans-66-39.2177.6-65.30000111.5F40 A168 Y171 P193 Y194 F200 A201F40-C197 HydrophobicContact CE1-CB 4.23Å; F40-C197 HydrophobicContact CZ-CB 3.97Å; A168-C197 HydrophobicContact CB-CB 4.2Å; Y171-C197 HydrophobicContact CD1-CB 3.82Å; Y171-C197 HydrophobicContact CE1-CB 4.43Å; P193-C197 VanDerWaalsContact O-CB 3.26Å; P193-C197 WeakPolarHBondContact O-CB 3.31Å; P193-C197 PolarHBondContact O-N 2.94Å; P193-C197 PolarHBondContact O-SG 2.86Å; Y194-C197 PolarHBondContact O-N 2.9Å; C197-F200 PolarHBondContact O-N 3.06Å; C197-A201 VanDerWaalsContact O-CB 3.31Å; C197-A201 WeakPolarHBondContact O-CB 3.34Å; C197-A201 PolarHBondContact O-N 2.97Å
198F95.1Very high90.8Very high48 Ų4858.7 Ų58.721%0.21133%0.33CS..Hα-helixtrans-64.4-43.4175.8-167-85.5000111.7L161 I164 H165 A168 Y194 R196 A201 T202L161-F198 HydrophobicContact CD2-CZ 4.29Å; I164-F198 HydrophobicContact CB-CE2 4.28Å; I164-F198 HydrophobicContact CB-CZ 4.31Å; I164-F198 HydrophobicContact CG2-CD1 4.27Å; I164-F198 HydrophobicContact CG2-CD2 3.93Å; I164-F198 HydrophobicContact CG2-CE1 3.95Å; I164-F198 HydrophobicContact CG2-CE2 3.59Å; I164-F198 HydrophobicContact CG2-CG 4.26Å; I164-F198 HydrophobicContact CG2-CZ 3.6Å; H165-F198 HydrophobicContact CB-CE2 4.34Å; A168-F198 HydrophobicContact CB-CB 4.3Å; A168-F198 HydrophobicContact CB-CD2 4.39Å; Y194-F198 HydrophobicContact CE1-CD2 4.39Å; Y194-F198 HydrophobicContact CE2-CD2 4.43Å; Y194-F198 AromaticContact CZ-CD2 3.89Å; Y194-F198 WeakPolarHBondContact O-CB 3.45Å; Y194-F198 PolarHBondContact O-N 2.88Å; R196-F198 VanDerWaalsContact C-N 3.35Å; F198-A201 PolarHBondContact O-N 3.4Å; F198-T202 WeakPolarHBondContact O-CB 3.34Å; F198-T202 PolarHBondContact O-N 2.99Å; F198-T202 PolarHBondContact O-OG1 3.35Å
199Y93.3Very high89.8Confident131 Ų13157 Ų5751%0.51433%0.333SS..Hα-helixtrans-62.2-43.9175.6175.6-113.4000112.1L195 R196 T202 K203L195-Y199 WeakPolarHBondContact O-CB 3.45Å; L195-Y199 PolarHBondContact O-N 3.45Å; R196-Y199 PolarHBondContact O-N 2.87Å; Y199-T202 PolarHBondContact O-N 3.41Å; Y199-K203 HydrophobicContact CE1-CD 4.22Å; Y199-K203 HydrophobicContact CE2-CD 4.21Å; Y199-K203 HydrophobicContact CE2-CG 4.37Å; Y199-K203 PolarHBondContact O-N 2.85Å; Y199-K203 WeakPolarHBondContact OH-CE 3.36Å; Y199-K203 PolarHBondContact OH-NZ 2.87Å
200F93Very high89.1Confident18 Ų1863.1 Ų63.18%0.07936%0.356CS..Hα-helixtrans-61.6-50.8174.6178.2-96000111.9Y171 F185 R196 C197 T202 K203 L204 N211 P212 Y222Y171-F200 AromaticContact CD1-CD1 3.83Å; Y171-F200 HydrophobicContact CD1-CD1 3.83Å; Y171-F200 HydrophobicContact CD1-CE1 4.45Å; Y171-F200 HydrophobicContact CD1-CG 4.44Å; Y171-F200 AromaticContact CD2-CD1 3.74Å; Y171-F200 HydrophobicContact CD2-CD1 3.74Å; Y171-F200 AromaticContact CD2-CE1 3.5Å; Y171-F200 HydrophobicContact CD2-CE1 3.5Å; Y171-F200 HydrophobicContact CD2-CZ 4.4Å; Y171-F200 HydrophobicContact CE1-CB 4.17Å; Y171-F200 AromaticContact CE1-CD1 3.71Å; Y171-F200 HydrophobicContact CE1-CD1 3.71Å; Y171-F200 HydrophobicContact CE1-CE1 4.29Å; Y171-F200 AromaticContact CE1-CG 3.97Å; Y171-F200 HydrophobicContact CE1-CG 3.97Å; Y171-F200 AromaticContact CE2-CD1 3.61Å; Y171-F200 HydrophobicContact CE2-CD1 3.61Å; Y171-F200 AromaticContact CE2-CE1 3.3Å; Y171-F200 HydrophobicContact CE2-CE1 3.3Å; Y171-F200 HydrophobicContact CE2-CG 4.35Å; Y171-F200 AromaticContact CE2-CZ 3.81Å; Y171-F200 HydrophobicContact CE2-CZ 3.81Å; Y171-F200 AromaticContact CG-CD1 3.84Å; Y171-F200 HydrophobicContact CG-CD1 3.84Å; Y171-F200 HydrophobicContact CG-CE1 4.08Å; Y171-F200 AromaticContact CZ-CD1 3.59Å; Y171-F200 AromaticContact CZ-CE1 3.73Å; Y171-F200 AromaticContact CZ-CG 3.91Å; F185-F200 HydrophobicContact CD2-CZ 4.41Å; F185-F200 AromaticContact CE2-CZ 3.81Å; F185-F200 HydrophobicContact CE2-CZ 3.81Å; F185-F200 HydrophobicContact CZ-CE1 4.32Å; F185-F200 AromaticContact CZ-CZ 3.86Å; F185-F200 HydrophobicContact CZ-CZ 3.86Å; R196-F200 PolarHBondContact O-N 3.32Å; C197-F200 PolarHBondContact O-N 3.06Å; F200-T202 VanDerWaalsContact C-N 3.27Å; F200-T202 PolarHBondContact O-N 2.81Å; F200-K203 PolarHBondContact O-N 3.37Å; F200-L204 HydrophobicContact CE1-CD2 4.2Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 3.32Å; F200-N211 HydrophobicContact CE2-CB 4.43Å; F200-P212 HydrophobicContact CE2-CG 3.93Å; F200-Y222 HydrophobicContact CE1-CE1 4.24Å
201A92.5Very high88.8Confident2 Ų261.2 Ų61.22%0.01734%0.341CS..Hα-helixtrans-60.6-36.1178.500000112.7I164 N167 A168 C197 F198 G205I164-A201 HydrophobicContact CG2-CB 4.19Å; N167-A201 HydrophobicContact CB-CB 4.01Å; A168-A201 HydrophobicContact CB-CB 4.01Å; C197-A201 VanDerWaalsContact O-CB 3.31Å; C197-A201 WeakPolarHBondContact O-CB 3.34Å; C197-A201 PolarHBondContact O-N 2.97Å; F198-A201 PolarHBondContact O-N 3.4Å; A201-G205 PolarHBondContact O-N 2.91Å
202T90.8Very high88.5Confident34 Ų3459.8 Ų59.821%0.20932%0.32CS..Hα-helixtrans-65.1-49.9175.5-57.30000111.1I164 F198 Y199 F200 L204 G205 I206I164-T202 HydrophobicContact CD1-CG2 4.42Å; I164-T202 WeakPolarHBondContact CG2-OG1 3.35Å; F198-T202 WeakPolarHBondContact O-CB 3.34Å; F198-T202 PolarHBondContact O-N 2.99Å; F198-T202 PolarHBondContact O-OG1 3.35Å; Y199-T202 PolarHBondContact O-N 3.41Å; F200-T202 VanDerWaalsContact C-N 3.27Å; F200-T202 PolarHBondContact O-N 2.81Å; T202-L204 VanDerWaalsContact C-N 3.27Å; T202-L204 PolarHBondContact O-N 2.82Å; T202-G205 PolarHBondContact O-N 3.46Å; T202-I206 HydrophobicContact CG2-CD1 3.71Å; T202-I206 HydrophobicContact CG2-CG1 4.47Å; T202-I206 WeakPolarHBondContact O-CG1 3.34Å; T202-I206 PolarHBondContact O-N 2.98Å
203K88.7Confident88.3Confident53 Ų5362.2 Ų62.223%0.2333%0.333CS..Hα-helixtrans-60-40.4177.3-83-164.5-74.9-175.10112.2Y199 F200 S207 V208 N211Y199-K203 HydrophobicContact CE1-CD 4.22Å; Y199-K203 HydrophobicContact CE2-CD 4.21Å; Y199-K203 HydrophobicContact CE2-CG 4.37Å; Y199-K203 PolarHBondContact O-N 2.85Å; Y199-K203 WeakPolarHBondContact OH-CE 3.36Å; Y199-K203 PolarHBondContact OH-NZ 2.87Å; F200-K203 PolarHBondContact O-N 3.37Å; K203-S207 PolarHBondContact O-N 3.48Å; K203-S207 VanDerWaalsContact O-N 3.14Å; K203-V208 WeakPolarHBondContact CB-O 3.4Å; K203-V208 WeakPolarHBondContact CG-O 3.25Å; K203-V208 PolarHBondContact O-N 2.73Å; K203-V208 VanDerWaalsContact O-N 3.08Å; K203-N211 WeakPolarHBondContact CB-OD1 3.36Å
204L88.4Confident88.1Confident2 Ų261.5 Ų61.51%0.0133%0.328CS..Hα-helixtrans-64.7-44.2176.8-172.863.2000111.9F200 T202 S207 Y222 M223 C226F200-L204 HydrophobicContact CE1-CD2 4.2Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 3.32Å; T202-L204 VanDerWaalsContact C-N 3.27Å; T202-L204 PolarHBondContact O-N 2.82Å; L204-S207 PolarHBondContact O-N 2.89Å; L204-Y222 HydrophobicContact CD2-CE1 3.94Å; L204-M223 HydrophobicContact CD1-CG 3.93Å; L204-M223 HydrophobicContact CD1-SD 4.41Å; L204-C226 HydrophobicContact CD2-CB 3.46Å; L204-C226 VanDerWaalsContact CD2-CB 3.46Å; L204-C226 HydrophobicContact CG-CB 4.08Å
205G85.2Confident87.9Confident13 Ų1362.3 Ų62.313%0.13434%0.34CS..Hα-helixtrans-67.3-37.7-179.200000114.1A201 T202 S207 G230A201-G205 PolarHBondContact O-N 2.91Å; T202-G205 PolarHBondContact O-N 3.46Å; G205-S207 VanDerWaalsContact C-N 3.25Å; G205-G230 WeakPolarHBondContact O-CA 3.22Å
206I82.9Confident87.7Confident92 Ų9260.7 Ų60.747%0.47233%0.331SS..Hα-helixtrans-82.8-7.5178.1-52171.4000110.8T202 V208T202-I206 HydrophobicContact CG2-CD1 3.71Å; T202-I206 HydrophobicContact CG2-CG1 4.47Å; T202-I206 WeakPolarHBondContact O-CG1 3.34Å; T202-I206 PolarHBondContact O-N 2.98Å; I206-V208 HydrophobicContact CB-CB 4.37Å; I206-V208 HydrophobicContact CB-CG2 4.21Å; I206-V208 HydrophobicContact CG2-CB 4.21Å; I206-V208 HydrophobicContact CG2-CG2 3.56Å; I206-V208 PolarHBondContact O-N 2.94Å
207S79.6Confident87.7Confident74 Ų7460.2 Ų60.252%0.51734%0.342SS..THydrogen-bonded Turntrans55.834.6-172.3-51.80000112.3K203 L204 G205K203-S207 PolarHBondContact O-N 3.48Å; K203-S207 VanDerWaalsContact O-N 3.14Å; L204-S207 PolarHBondContact O-N 2.89Å; G205-S207 VanDerWaalsContact C-N 3.25Å
208V76.5Confident87.6Confident86 Ų8664 Ų6452%0.52136%0.361SS..  trans-112.8128-177.51690000110.3K203 I206K203-V208 WeakPolarHBondContact CB-O 3.4Å; K203-V208 WeakPolarHBondContact CG-O 3.25Å; K203-V208 PolarHBondContact O-N 2.73Å; K203-V208 VanDerWaalsContact O-N 3.08Å; I206-V208 HydrophobicContact CB-CB 4.37Å; I206-V208 HydrophobicContact CB-CG2 4.21Å; I206-V208 HydrophobicContact CG2-CB 4.21Å; I206-V208 HydrophobicContact CG2-CG2 3.56Å; I206-V208 PolarHBondContact O-N 2.94Å
209G71.1Confident87.6Confident49 Ų4961.7 Ų61.751%0.50535%0.351SS..SBendtrans93.9162.6177.900000113.4N211G209-N211 VanDerWaalsContact C-N 3.34Å; G209-N211 PolarHBondContact O-N 3.27Å
210N78.9Confident87.6Confident170 Ų17057.7 Ų57.791%0.90934%0.342SS*.  trans-80.683.9177.2-64.8-16.1000108.9
211N84.7Confident87.7Confident30 Ų3061.7 Ų61.716%0.1636%0.363CS..PPolyproline II helixtrans-70.1145.7169.7-63.2-45.6000109.2F200 K203 G209F200-N211 HydrophobicContact CE2-CB 4.43Å; K203-N211 WeakPolarHBondContact CB-OD1 3.36Å; G209-N211 VanDerWaalsContact C-N 3.34Å; G209-N211 PolarHBondContact O-N 3.27Å
212P87.6Confident87.7Confident37 Ų3762.5 Ų62.524%0.2437%0.366CS..PPolyproline II helixtrans-58.6144.2174.326.4-36.7000111.1V184 F185 F200V184-P212 HydrophobicContact CG1-CB 4.1Å; V184-P212 WeakPolarHBondContact O-CB 3.42Å; V184-P212 WeakPolarHBondContact O-CG 3.49Å; F185-P212 HydrophobicContact CD2-CB 4.49Å; F185-P212 HydrophobicContact CD2-CG 4.21Å; F185-P212 VanDerWaalsContact CD2-O 3.31Å; F185-P212 WeakPolarHBondContact CD2-O 3.42Å; F200-P212 HydrophobicContact CE2-CG 3.93Å
213D88.9Confident87.7Confident134 Ų13461.8 Ų61.872%0.71736%0.361SS*.PPolyproline II helixtrans-72.8144175.3-65.2-54.2000110.8
214P91.5Very high87.9Confident26 Ų2663.2 Ų63.217%0.16937%0.37CS..PPolyproline II helixtrans-66.6138.6173.331.8-37.7000109.9F185 E219 C220 M223F185-P214 HydrophobicContact CD2-CB 4.32Å; F185-P214 HydrophobicContact CE2-CB 4.31Å; P214-E219 HydrophobicContact CB-CB 3.51Å; P214-C220 HydrophobicContact CG-CB 4.37Å; P214-C220 WeakPolarHBondContact CG-SG 3.12Å; P214-M223 HydrophobicContact CG-CE 3.46Å; P214-M223 VanDerWaalsContact CG-CE 3.46Å; P214-M223 HydrophobicContact CG-SD 4.14Å
215T91.3Very high88Confident81 Ų8166.9 Ų66.950%0.49740%0.395SS..  trans-96.8-27-179.563.60000112.3N183 E219N183-T215 HydrophobicContact CB-CG2 4.33Å; N183-T215 PolarHBondContact ND2-OG1 3.44Å; T215-E219 WeakPolarHBondContact CA-OE2 3.38Å; T215-E219 PolarHBondContact N-OE2 3.45Å; T215-E219 PolarHBondContact OG1-OE1 2.84Å; T215-E219 PolarHBondContact OG1-OE2 2.89Å
216N91.8Very high88.3Confident73 Ų7366.4 Ų66.439%0.3939%0.389SS..SBendtrans-120.6156.3-174-63.6-49000112I218 E219 C220N216-I218 PolarHBondContact O-N 3.15Å; N216-E219 HydrophobicContact CB-CG 4.27Å; N216-E219 PolarHBondContact N-OE2 2.98Å; N216-E219 PolarHBondContact ND2-OE1 3.45Å; N216-E219 WeakPolarHBondContact O-CB 3.37Å; N216-E219 PolarHBondContact O-N 3.37Å; N216-C220 PolarHBondContact O-N 3.44Å; N216-C220 PolarHBondContact O-SG 2.94Å; N216-C220 VanDerWaalsContact O-SG 3.36Å
217V94.4Very high88.4Confident112 Ų11267.3 Ų67.368%0.67939%0.387SS*.Hα-helixtrans-55.4-38.4179.1179.50000112.3C220 L221V217-C220 WeakPolarHBondContact O-CB 3.42Å; V217-C220 PolarHBondContact O-N 2.96Å; V217-L221 HydrophobicContact CG1-CD1 4.43Å; V217-L221 WeakPolarHBondContact O-CG 3.39Å; V217-L221 PolarHBondContact O-N 3.26Å
218I94.2Very high88.8Confident78 Ų7870 Ų7040%0.439%0.393SS..Hα-helixtrans-68.5-38.6-179.8-60.8174.3000110.9L174 W177 N216 C220 L221 Y222L174-I218 HydrophobicContact CD1-CG2 3.74Å; W177-I218 HydrophobicContact CH2-CD1 3.37Å; W177-I218 HydrophobicContact CZ3-CD1 3.36Å; W177-I218 HydrophobicContact CZ3-CG2 4.21Å; N216-I218 PolarHBondContact O-N 3.15Å; I218-C220 VanDerWaalsContact C-N 3.35Å; I218-L221 PolarHBondContact O-N 3.3Å; I218-Y222 WeakPolarHBondContact O-CB 3.48Å; I218-Y222 PolarHBondContact O-N 3.15Å
219E93.6Very high89.3Confident0 Ų068 Ų680%038%0.381CS..Hα-helixtrans-66.5-39174.3-64.7162.5-162.600110.7L174 I178 N183 F185 P214 T215 N216 Y222 M223L174-E219 HydrophobicContact CD2-CG 4.45Å; I178-E219 HydrophobicContact CD1-CG 4.01Å; I178-E219 WeakPolarHBondContact CD1-OE1 3.43Å; N183-E219 PolarHBondContact ND2-OE1 3.44Å; N183-E219 PolarHBondContact ND2-OE2 3.29Å; F185-E219 HydrophobicContact CD1-CB 3.94Å; F185-E219 HydrophobicContact CD1-CG 3.71Å; F185-E219 HydrophobicContact CE1-CB 3.91Å; F185-E219 HydrophobicContact CE1-CG 3.97Å; F185-E219 HydrophobicContact CZ-CB 4.45Å; P214-E219 HydrophobicContact CB-CB 3.51Å; T215-E219 WeakPolarHBondContact CA-OE2 3.38Å; T215-E219 PolarHBondContact N-OE2 3.45Å; T215-E219 PolarHBondContact OG1-OE1 2.84Å; T215-E219 PolarHBondContact OG1-OE2 2.89Å; N216-E219 HydrophobicContact CB-CG 4.27Å; N216-E219 PolarHBondContact N-OE2 2.98Å; N216-E219 PolarHBondContact ND2-OE1 3.45Å; N216-E219 WeakPolarHBondContact O-CB 3.37Å; N216-E219 PolarHBondContact O-N 3.37Å; E219-Y222 PolarHBondContact O-N 3.28Å; E219-M223 WeakPolarHBondContact O-CB 3.19Å; E219-M223 PolarHBondContact O-N 3.23Å
220C93.6Very high90Very high48 Ų4866 Ų6632%0.32436%0.36SS..Hα-helixtrans-60.7-46.8172.9-63.80000111.6P214 N216 V217 I218 M223 I224P214-C220 HydrophobicContact CG-CB 4.37Å; P214-C220 WeakPolarHBondContact CG-SG 3.12Å; N216-C220 PolarHBondContact O-N 3.44Å; N216-C220 PolarHBondContact O-SG 2.94Å; N216-C220 VanDerWaalsContact O-SG 3.36Å; V217-C220 WeakPolarHBondContact O-CB 3.42Å; V217-C220 PolarHBondContact O-N 2.96Å; I218-C220 VanDerWaalsContact C-N 3.35Å; C220-M223 PolarHBondContact O-N 3.16Å; C220-I224 VanDerWaalsContact O-CG1 3.25Å; C220-I224 WeakPolarHBondContact O-CG1 3.32Å; C220-I224 PolarHBondContact O-N 2.98Å
221L94.5Very high90.1Very high101 Ų10161.7 Ų61.753%0.52934%0.34SS..Hα-helixtrans-61.6-45.9177.7-71.8174.6000111.6V217 I218 M223 I224 C225V217-L221 HydrophobicContact CG1-CD1 4.43Å; V217-L221 WeakPolarHBondContact O-CG 3.39Å; V217-L221 PolarHBondContact O-N 3.26Å; I218-L221 PolarHBondContact O-N 3.3Å; L221-M223 VanDerWaalsContact C-N 3.32Å; L221-M223 PolarHBondContact O-N 3.1Å; L221-I224 PolarHBondContact O-N 3.34Å; L221-C225 PolarHBondContact O-N 3.33Å; L221-C225 PolarHBondContact O-SG 2.98Å; L221-C225 VanDerWaalsContact O-SG 3.34Å
222Y93.3Very high90.1Very high20 Ų2066.9 Ų66.98%0.07836%0.362CS..Hα-helixtrans-56.3-47.5174166-95.6000111.1N167 I170 Y171 L174 F185 F200 L204 I218 E219 I224 C225 C226N167-Y222 PolarHBondContact O-OH 2.88Å; I170-Y222 HydrophobicContact CB-CE2 4.35Å; I170-Y222 HydrophobicContact CG2-CD2 3.89Å; I170-Y222 HydrophobicContact CG2-CE2 3.86Å; Y171-Y222 WeakPolarHBondContact CB-OH 3.31Å; Y171-Y222 HydrophobicContact CD2-CE1 4.02Å; L174-Y222 HydrophobicContact CD2-CD1 4.18Å; L174-Y222 HydrophobicContact CD2-CD2 4.4Å; L174-Y222 HydrophobicContact CD2-CG 3.92Å; F185-Y222 HydrophobicContact CE1-CD1 4.13Å; F185-Y222 HydrophobicContact CE1-CE1 4.43Å; F185-Y222 AromaticContact CZ-CD1 3.9Å; F185-Y222 HydrophobicContact CZ-CD1 3.9Å; F185-Y222 HydrophobicContact CZ-CE1 4.1Å; F200-Y222 HydrophobicContact CE1-CE1 4.24Å; L204-Y222 HydrophobicContact CD2-CE1 3.94Å; I218-Y222 WeakPolarHBondContact O-CB 3.48Å; I218-Y222 PolarHBondContact O-N 3.15Å; E219-Y222 PolarHBondContact O-N 3.28Å; Y222-I224 PolarHBondContact O-N 2.72Å; Y222-C225 PolarHBondContact O-N 3.11Å; Y222-C226 WeakPolarHBondContact CE2-SG 3.45Å; Y222-C226 WeakPolarHBondContact O-CB 3.31Å; Y222-C226 PolarHBondContact O-N 3Å; Y222-C226 PolarHBondContact O-SG 3.35Å; Y222-C226 VanDerWaalsContact O-SG 3.39Å; Y222-C226 PolarHBondContact OH-SG 3.13Å
223M91.9Very high89.8Confident18 Ų1865.7 Ų65.79%0.08936%0.355CS..Hα-helixtrans-64.7-41.7-179.2-165.3169.270.900112.5F185 L204 P214 E219 C220 L221 C226 W227F185-M223 HydrophobicContact CE2-SD 4.34Å; L204-M223 HydrophobicContact CD1-CG 3.93Å; L204-M223 HydrophobicContact CD1-SD 4.41Å; P214-M223 HydrophobicContact CG-CE 3.46Å; P214-M223 VanDerWaalsContact CG-CE 3.46Å; P214-M223 HydrophobicContact CG-SD 4.14Å; E219-M223 WeakPolarHBondContact O-CB 3.19Å; E219-M223 PolarHBondContact O-N 3.23Å; C220-M223 PolarHBondContact O-N 3.16Å; L221-M223 VanDerWaalsContact C-N 3.32Å; L221-M223 PolarHBondContact O-N 3.1Å; M223-C226 PolarHBondContact O-N 2.84Å; M223-W227 HydrophobicContact CE-CE3 4.48Å; M223-W227 HydrophobicContact CE-CH2 3.39Å; M223-W227 HydrophobicContact CE-CZ2 3.72Å; M223-W227 HydrophobicContact CE-CZ3 3.8Å; M223-W227 HydrophobicContact CG-CD2 4.06Å; M223-W227 HydrophobicContact CG-CE3 4.42Å; M223-W227 HydrophobicContact CG-CH2 4.42Å; M223-W227 HydrophobicContact CG-CZ2 4.02Å; M223-W227 WeakPolarHBondContact O-CB 3.42Å; M223-W227 PolarHBondContact O-N 2.93Å; M223-W227 HydrophobicContact SD-CH2 4.06Å; M223-W227 HydrophobicContact SD-CZ2 3.73Å
224I91.4Very high89.2Confident84 Ų8464.3 Ų64.343%0.43134%0.343SS..Hα-helixtrans-58.8-49.7174.4-69.9163.8000110.3C220 L221 Y222 C226 W227 M228C220-I224 VanDerWaalsContact O-CG1 3.25Å; C220-I224 WeakPolarHBondContact O-CG1 3.32Å; C220-I224 PolarHBondContact O-N 2.98Å; L221-I224 PolarHBondContact O-N 3.34Å; Y222-I224 PolarHBondContact O-N 2.72Å; I224-C226 VanDerWaalsContact C-N 3.34Å; I224-C226 PolarHBondContact O-N 2.75Å; I224-W227 PolarHBondContact O-N 3.37Å; I224-M228 HydrophobicContact CG2-SD 4.19Å; I224-M228 WeakPolarHBondContact O-CG 3.5Å; I224-M228 PolarHBondContact O-N 3.16Å
225C91.2Very high88.7Confident78 Ų7865.9 Ų65.953%0.52736%0.358SS..Hα-helixtrans-60-44.3178.2-69.90000111.8L221 Y222 M228 V229L221-C225 PolarHBondContact O-N 3.33Å; L221-C225 PolarHBondContact O-SG 2.98Å; L221-C225 VanDerWaalsContact O-SG 3.34Å; Y222-C225 PolarHBondContact O-N 3.11Å; C225-M228 PolarHBondContact O-N 3.39Å; C225-V229 WeakPolarHBondContact O-CG2 3.44Å; C225-V229 PolarHBondContact O-N 3.46Å
226C90.4Very high88.1Confident3 Ų365.8 Ų65.82%0.0235%0.352CS..Hα-helixtrans-65.9-39.2178.3-73.60000113L204 Y222 M223 I224 V229 G230L204-C226 HydrophobicContact CD2-CB 3.46Å; L204-C226 VanDerWaalsContact CD2-CB 3.46Å; L204-C226 HydrophobicContact CG-CB 4.08Å; Y222-C226 WeakPolarHBondContact CE2-SG 3.45Å; Y222-C226 WeakPolarHBondContact O-CB 3.31Å; Y222-C226 PolarHBondContact O-N 3Å; Y222-C226 PolarHBondContact O-SG 3.35Å; Y222-C226 VanDerWaalsContact O-SG 3.39Å; Y222-C226 PolarHBondContact OH-SG 3.13Å; M223-C226 PolarHBondContact O-N 2.84Å; I224-C226 VanDerWaalsContact C-N 3.34Å; I224-C226 PolarHBondContact O-N 2.75Å; C226-V229 PolarHBondContact O-N 3.48Å; C226-G230 PolarHBondContact O-N 3.09Å
227W87.1Confident87.4Confident112 Ų11264.1 Ų64.142%0.42434%0.344SS..Hα-helixtrans-65.3-42.4174.7-78-18000112.2M223 I224 V229 G230 T231M223-W227 HydrophobicContact CE-CE3 4.48Å; M223-W227 HydrophobicContact CE-CH2 3.39Å; M223-W227 HydrophobicContact CE-CZ2 3.72Å; M223-W227 HydrophobicContact CE-CZ3 3.8Å; M223-W227 HydrophobicContact CG-CD2 4.06Å; M223-W227 HydrophobicContact CG-CE3 4.42Å; M223-W227 HydrophobicContact CG-CH2 4.42Å; M223-W227 HydrophobicContact CG-CZ2 4.02Å; M223-W227 WeakPolarHBondContact O-CB 3.42Å; M223-W227 PolarHBondContact O-N 2.93Å; M223-W227 HydrophobicContact SD-CH2 4.06Å; M223-W227 HydrophobicContact SD-CZ2 3.73Å; I224-W227 PolarHBondContact O-N 3.37Å; W227-V229 VanDerWaalsContact C-N 3.33Å; W227-V229 PolarHBondContact O-N 3.32Å; W227-G230 PolarHBondContact O-N 3.32Å; W227-T231 WeakPolarHBondContact O-CB 3.35Å; W227-T231 VanDerWaalsContact O-CG2 3.27Å; W227-T231 WeakPolarHBondContact O-CG2 3.35Å; W227-T231 PolarHBondContact O-N 2.76Å; W227-T231 PolarHBondContact O-OG1 2.93Å
228M87.2Confident86.3Confident131 Ų13163 Ų6365%0.64533%0.333SS*.Hα-helixtrans-60.4-43.5175-70.6-17976.300111.6I224 C225 T231 F232I224-M228 HydrophobicContact CG2-SD 4.19Å; I224-M228 WeakPolarHBondContact O-CG 3.5Å; I224-M228 PolarHBondContact O-N 3.16Å; C225-M228 PolarHBondContact O-N 3.39Å; M228-T231 PolarHBondContact O-OG1 3.45Å; M228-T231 VanDerWaalsContact O-OG1 3.12Å; M228-F232 WeakPolarHBondContact O-CB 3.45Å; M228-F232 PolarHBondContact O-N 3.41Å
229V86.8Confident85.3Confident44 Ų4461.1 Ų61.127%0.26733%0.333SS..Hα-helixtrans-64.7-46.2175.7167.50000111.7M163 C225 C226 W227 A233M163-V229 HydrophobicContact CB-CG1 4.17Å; M163-V229 HydrophobicContact CE-CB 4.42Å; M163-V229 HydrophobicContact CE-CG1 3.39Å; M163-V229 HydrophobicContact CE-CG2 4.11Å; M163-V229 HydrophobicContact CG-CG1 4.39Å; C225-V229 WeakPolarHBondContact O-CG2 3.44Å; C225-V229 PolarHBondContact O-N 3.46Å; C226-V229 PolarHBondContact O-N 3.48Å; W227-V229 VanDerWaalsContact C-N 3.33Å; W227-V229 PolarHBondContact O-N 3.32Å; V229-A233 VanDerWaalsContact O-CB 3.32Å; V229-A233 WeakPolarHBondContact O-CB 3.42Å; V229-A233 PolarHBondContact O-N 2.79Å
230G84.9Confident84.3Confident7 Ų764.8 Ų64.87%0.07235%0.35CS..Hα-helixtrans-65.5-48-177.100000112.9G205 C226 W227 F232 A233 F234G205-G230 WeakPolarHBondContact O-CA 3.22Å; C226-G230 PolarHBondContact O-N 3.09Å; W227-G230 PolarHBondContact O-N 3.32Å; G230-F232 VanDerWaalsContact C-N 3.35Å; G230-F232 PolarHBondContact O-N 3.35Å; G230-A233 PolarHBondContact O-N 3.22Å; G230-F234 WeakPolarHBondContact O-CB 3.36Å; G230-F234 PolarHBondContact O-N 3.31Å
231T82.1Confident83.2Confident79 Ų7964.1 Ų64.149%0.48535%0.348SS..Hα-helixtrans-60.3-42.8176.951.80000112.1W227 M228 F234 A235W227-T231 WeakPolarHBondContact O-CB 3.35Å; W227-T231 VanDerWaalsContact O-CG2 3.27Å; W227-T231 WeakPolarHBondContact O-CG2 3.35Å; W227-T231 PolarHBondContact O-N 2.76Å; W227-T231 PolarHBondContact O-OG1 2.93Å; M228-T231 PolarHBondContact O-OG1 3.45Å; M228-T231 VanDerWaalsContact O-OG1 3.12Å; T231-F234 PolarHBondContact O-N 3.37Å; T231-A235 WeakPolarHBondContact O-CB 3.36Å; T231-A235 PolarHBondContact O-N 3.38Å
232F84Confident82Confident139 Ų13962.3 Ų62.361%0.6134%0.343SS*.Hα-helixtrans-65.1-44.4176.3-172.3-100.3000112.1M228 G230 F234 A235 M236M228-F232 WeakPolarHBondContact O-CB 3.45Å; M228-F232 PolarHBondContact O-N 3.41Å; G230-F232 VanDerWaalsContact C-N 3.35Å; G230-F232 PolarHBondContact O-N 3.35Å; F232-F234 PolarHBondContact O-N 2.88Å; F232-A235 PolarHBondContact O-N 2.92Å; F232-M236 HydrophobicContact CD1-CE 3.45Å; F232-M236 VanDerWaalsContact CD1-CE 3.45Å; F232-M236 HydrophobicContact CD1-SD 4.04Å; F232-M236 HydrophobicContact CE1-CE 3.43Å; F232-M236 VanDerWaalsContact CE1-CE 3.43Å; F232-M236 HydrophobicContact CE1-CG 4.2Å; F232-M236 HydrophobicContact CE1-SD 3.44Å; F232-M236 WeakPolarHBondContact CE1-SD 3.37Å; F232-M236 HydrophobicContact CZ-CE 4.47Å; F232-M236 HydrophobicContact CZ-CG 4.43Å; F232-M236 HydrophobicContact CZ-SD 3.99Å; F232-M236 WeakPolarHBondContact O-CG 3.12Å; F232-M236 PolarHBondContact O-N 3.38Å; F232-M236 VanDerWaalsContact O-N 3.09Å
233A80.7Confident80.8Confident12 Ų1268.3 Ų68.310%0.09937%0.37CS..Hα-helixtrans-61.3-43.2177.200000112.4V160 V229 G230 M236 L237V160-A233 HydrophobicContact CG2-CB 4.34Å; V229-A233 VanDerWaalsContact O-CB 3.32Å; V229-A233 WeakPolarHBondContact O-CB 3.42Å; V229-A233 PolarHBondContact O-N 2.79Å; G230-A233 PolarHBondContact O-N 3.22Å; A233-M236 PolarHBondContact O-N 2.97Å; A233-L237 PolarHBondContact O-N 3.05Å; A233-L237 VanDerWaalsContact O-N 3.15Å
234F77.2Confident79.6Confident105 Ų10572.6 Ų72.646%0.46139%0.389SS..Hα-helixtrans-67.9-41.6177.6-177.3-109.9000112.6G230 T231 F232 M236 L237 L238G230-F234 WeakPolarHBondContact O-CB 3.36Å; G230-F234 PolarHBondContact O-N 3.31Å; T231-F234 PolarHBondContact O-N 3.37Å; F232-F234 PolarHBondContact O-N 2.88Å; F234-M236 VanDerWaalsContact C-N 3.29Å; F234-M236 PolarHBondContact O-N 3.44Å; F234-L237 WeakPolarHBondContact O-CB 3.24Å; F234-L237 PolarHBondContact O-N 3.38Å; F234-L237 VanDerWaalsContact O-N 3.15Å; F234-L238 HydrophobicContact CD1-CD1 3.84Å; F234-L238 HydrophobicContact CD1-CG 4.33Å; F234-L238 HydrophobicContact CE1-CD1 3.25Å; F234-L238 HydrophobicContact CE1-CG 3.89Å; F234-L238 HydrophobicContact CE2-CD1 4.43Å; F234-L238 HydrophobicContact CE2-CD2 4.4Å; F234-L238 HydrophobicContact CE2-CG 4.2Å; F234-L238 HydrophobicContact CZ-CD1 3.59Å; F234-L238 HydrophobicContact CZ-CD2 4.01Å; F234-L238 HydrophobicContact CZ-CG 3.81Å; F234-L238 PolarHBondContact O-N 2.89Å
235A80.5Confident78.5Confident59 Ų5976.5 Ų76.549%0.48840%0.404SS..Hα-helixtrans-59.9-39.6175.500000112.1T231 F232 G239T231-A235 WeakPolarHBondContact O-CB 3.36Å; T231-A235 PolarHBondContact O-N 3.38Å; F232-A235 PolarHBondContact O-N 2.92Å; A235-G239 PolarHBondContact O-N 3.43Å
236M78.9Confident77.4Confident78 Ų7875.6 Ų75.638%0.38441%0.408SS..Hα-helixtrans-64.2-41.2174.1-71.6-171.8-66.500112.7L156 F232 A233 F234 G239 Q240L156-M236 HydrophobicContact CD1-CB 4.26Å; L156-M236 HydrophobicContact CD2-CB 4.47Å; F232-M236 HydrophobicContact CD1-CE 3.45Å; F232-M236 VanDerWaalsContact CD1-CE 3.45Å; F232-M236 HydrophobicContact CD1-SD 4.04Å; F232-M236 HydrophobicContact CE1-CE 3.43Å; F232-M236 VanDerWaalsContact CE1-CE 3.43Å; F232-M236 HydrophobicContact CE1-CG 4.2Å; F232-M236 HydrophobicContact CE1-SD 3.44Å; F232-M236 WeakPolarHBondContact CE1-SD 3.37Å; F232-M236 HydrophobicContact CZ-CE 4.47Å; F232-M236 HydrophobicContact CZ-CG 4.43Å; F232-M236 HydrophobicContact CZ-SD 3.99Å; F232-M236 WeakPolarHBondContact O-CG 3.12Å; F232-M236 PolarHBondContact O-N 3.38Å; F232-M236 VanDerWaalsContact O-N 3.09Å; A233-M236 PolarHBondContact O-N 2.97Å; F234-M236 VanDerWaalsContact C-N 3.29Å; F234-M236 PolarHBondContact O-N 3.44Å; M236-G239 PolarHBondContact O-N 3.21Å; M236-Q240 PolarHBondContact O-N 3.26Å; M236-Q240 VanDerWaalsContact O-N 3.1Å
237L76.8Confident76.5Confident39 Ų3977.2 Ų77.220%0.20442%0.417CS..Hα-helixtrans-62-49.7176.6-78.8165.9000111.8L156 Y157 V160 A233 F234 G239 Q240 A241L156-L237 HydrophobicContact CD2-CB 4.27Å; L156-L237 HydrophobicContact CD2-CD2 3.5Å; L156-L237 VanDerWaalsContact CD2-CD2 3.5Å; L156-L237 HydrophobicContact CD2-CG 3.82Å; L156-L237 HydrophobicContact CG-CD2 3.61Å; L156-L237 HydrophobicContact CG-CG 4.06Å; Y157-L237 HydrophobicContact CD2-CD2 4.44Å; Y157-L237 HydrophobicContact CE2-CD2 4.28Å; V160-L237 HydrophobicContact CG1-CD1 4.41Å; V160-L237 HydrophobicContact CG2-CD1 3.78Å; V160-L237 HydrophobicContact CG2-CD2 4.38Å; V160-L237 HydrophobicContact CG2-CG 4.08Å; A233-L237 PolarHBondContact O-N 3.05Å; A233-L237 VanDerWaalsContact O-N 3.15Å; F234-L237 WeakPolarHBondContact O-CB 3.24Å; F234-L237 PolarHBondContact O-N 3.38Å; F234-L237 VanDerWaalsContact O-N 3.15Å; L237-G239 VanDerWaalsContact C-N 3.34Å; L237-G239 PolarHBondContact O-N 3.32Å; L237-Q240 PolarHBondContact O-N 3.14Å; L237-A241 WeakPolarHBondContact O-CB 3.29Å; L237-A241 PolarHBondContact O-N 3.23Å
238L72.7Confident76.2Confident87 Ų8775.8 Ų75.846%0.45542%0.423SS..Hα-helixtrans-59.7-44.6176.6-74.2-179.5000111.7F234 Q240 A241 C242F234-L238 HydrophobicContact CD1-CD1 3.84Å; F234-L238 HydrophobicContact CD1-CG 4.33Å; F234-L238 HydrophobicContact CE1-CD1 3.25Å; F234-L238 HydrophobicContact CE1-CG 3.89Å; F234-L238 HydrophobicContact CE2-CD1 4.43Å; F234-L238 HydrophobicContact CE2-CD2 4.4Å; F234-L238 HydrophobicContact CE2-CG 4.2Å; F234-L238 HydrophobicContact CZ-CD1 3.59Å; F234-L238 HydrophobicContact CZ-CD2 4.01Å; F234-L238 HydrophobicContact CZ-CG 3.81Å; F234-L238 PolarHBondContact O-N 2.89Å; L238-Q240 VanDerWaalsContact C-N 3.3Å; L238-Q240 PolarHBondContact O-N 3.31Å; L238-A241 PolarHBondContact O-N 2.92Å; L238-C242 PolarHBondContact O-N 3Å; L238-C242 PolarHBondContact O-SG 2.88Å; L238-C242 VanDerWaalsContact O-SG 3.39Å
239G72.4Confident75.8Confident39 Ų3975.1 Ų75.140%0.40242%0.421SS..Hα-helixtrans-60.5-36.6179.200000113.5A235 M236 L237A235-G239 PolarHBondContact O-N 3.43Å; M236-G239 PolarHBondContact O-N 3.21Å; L237-G239 VanDerWaalsContact C-N 3.34Å; L237-G239 PolarHBondContact O-N 3.32Å
240Q72.9Confident75.6Confident78 Ų7879.4 Ų79.436%0.36444%0.439SS..Hα-helixtrans-76.9-39.3175.3-70.7-167.4-1.500112.8L156 M236 L237 L238 C242 K243 Q244L156-Q240 HydrophobicContact CD2-CB 4.31Å; L156-Q240 HydrophobicContact CD2-CG 4.1Å; L156-Q240 VanDerWaalsContact CD2-OE1 3.23Å; M236-Q240 PolarHBondContact O-N 3.26Å; M236-Q240 VanDerWaalsContact O-N 3.1Å; L237-Q240 PolarHBondContact O-N 3.14Å; L238-Q240 VanDerWaalsContact C-N 3.3Å; L238-Q240 PolarHBondContact O-N 3.31Å; Q240-C242 PolarHBondContact O-N 3.08Å; Q240-K243 PolarHBondContact O-N 3.15Å; Q240-Q244 PolarHBondContact O-N 3.03Å; Q240-Q244 VanDerWaalsContact O-N 3.16Å
241A71Confident75.5Confident33 Ų3383.3 Ų83.327%0.27346%0.457SS..Hα-helixtrans-61.3-42.4177.500000112L237 L238 K243 Q244 F245L237-A241 WeakPolarHBondContact O-CB 3.29Å; L237-A241 PolarHBondContact O-N 3.23Å; L238-A241 PolarHBondContact O-N 2.92Å; A241-K243 VanDerWaalsContact C-N 3.3Å; A241-K243 PolarHBondContact O-N 3.1Å; A241-Q244 WeakPolarHBondContact O-CB 3.5Å; A241-Q244 PolarHBondContact O-N 3.48Å; A241-F245 WeakPolarHBondContact O-CD2 3.48Å; A241-F245 PolarHBondContact O-N 2.89Å
242C69.5Low75.4Confident64 Ų6480.9 Ų80.943%0.43244%0.44SS..Hα-helixtrans-60.5-37.4176.1-69.30000113L238 Q240 Q244L238-C242 PolarHBondContact O-N 3Å; L238-C242 PolarHBondContact O-SG 2.88Å; L238-C242 VanDerWaalsContact O-SG 3.39Å; Q240-C242 PolarHBondContact O-N 3.08Å; C242-Q244 VanDerWaalsContact C-N 3.31Å; C242-Q244 PolarHBondContact O-N 2.71Å
243K67Low75.4Confident145 Ų14577.7 Ų77.763%0.6343%0.43SS*.Hα-helixtrans-67.1-32.1174.8-71.3-177.7178.9-175.60112.3Q240 A241 G246Q240-K243 PolarHBondContact O-N 3.15Å; A241-K243 VanDerWaalsContact C-N 3.3Å; A241-K243 PolarHBondContact O-N 3.1Å; K243-G246 PolarHBondContact O-N 3.12Å
244Q66.6Low75.6Confident108 Ų10880.7 Ų80.751%0.50544%0.441SS..Hα-helixtrans-69.3-39-179.7-175.7-172.4000112.8Q240 A241 C242 G246Q240-Q244 PolarHBondContact O-N 3.03Å; Q240-Q244 VanDerWaalsContact O-N 3.16Å; A241-Q244 WeakPolarHBondContact O-CB 3.5Å; A241-Q244 PolarHBondContact O-N 3.48Å; C242-Q244 VanDerWaalsContact C-N 3.31Å; C242-Q244 PolarHBondContact O-N 2.71Å; Q244-G246 PolarHBondContact O-N 3.33Å
245F69.5Low75.7Confident167 Ų16778.8 Ų78.873%0.73244%0.438SS*.THydrogen-bonded Turntrans-66.52.8179.9-72.8-68.6000113.5A241 V247A241-F245 WeakPolarHBondContact O-CD2 3.48Å; A241-F245 PolarHBondContact O-N 2.89Å; F245-V247 HydrophobicContact CB-CG2 3.79Å; F245-V247 PolarHBondContact O-N 2.75Å; F245-V247 VanDerWaalsContact O-N 3.16Å
246G67.2Low75.9Confident59 Ų5982.2 Ų82.261%0.60844%0.438SS*.THydrogen-bonded Turntrans61.625.6179.200000111.9K243 Q244 P248K243-G246 PolarHBondContact O-N 3.12Å; Q244-G246 PolarHBondContact O-N 3.33Å; G246-P248 VanDerWaalsContact O-CD 3.29Å; G246-P248 WeakPolarHBondContact O-CD 3.45Å; G246-P248 VanDerWaalsContact O-N 3.17Å
247V71Confident76.2Confident37 Ų3782.9 Ų82.922%0.22444%0.44CS..  trans-61.3118.2-1791780000107.4F245 L251 Q252F245-V247 HydrophobicContact CB-CG2 3.79Å; F245-V247 PolarHBondContact O-N 2.75Å; F245-V247 VanDerWaalsContact O-N 3.16Å; V247-L251 HydrophobicContact CG1-CB 3.63Å; V247-L251 HydrophobicContact CG1-CD2 3.81Å; V247-L251 HydrophobicContact CG1-CG 3.66Å; V247-Q252 HydrophobicContact CB-CG 4.19Å; V247-Q252 HydrophobicContact CG1-CG 3.8Å; V247-Q252 PolarHBondContact O-NE2 3.49Å
248P81.7Confident76.6Confident82 Ų8285.7 Ų85.753%0.53245%0.448SS..  trans-52.3144.1177.4-25.733.9000110.6G246 E250 L251 Q252G246-P248 VanDerWaalsContact O-CD 3.29Å; G246-P248 WeakPolarHBondContact O-CD 3.45Å; G246-P248 VanDerWaalsContact O-N 3.17Å; P248-E250 PolarHBondContact O-N 2.88Å; P248-E250 VanDerWaalsContact O-N 3.09Å; P248-L251 WeakPolarHBondContact O-CA 3.3Å; P248-L251 PolarHBondContact O-N 3.27Å; P248-Q252 PolarHBondContact O-N 3.43Å
249D79.4Confident76.8Confident116 Ų11687.5 Ų87.562%0.6245%0.452SS*.Hα-helixtrans-55.7-32.3-178.6-68.6-35.5000111.9L251 Q252 D253D249-L251 PolarHBondContact O-N 3.38Å; D249-Q252 WeakPolarHBondContact O-CB 3.15Å; D249-Q252 PolarHBondContact O-N 2.92Å; D249-Q252 PolarHBondContact OD1-NE2 3.26Å; D249-Q252 VanDerWaalsContact OD1-NE2 3.11Å; D249-D253 PolarHBondContact O-N 2.86Å
250E82.3Confident77.2Confident135 Ų13589.3 Ų89.363%0.63146%0.456SS*.Hα-helixtrans-59.2-43.2172.8-167.1-170158.800112.8P248 D253 K254P248-E250 PolarHBondContact O-N 2.88Å; P248-E250 VanDerWaalsContact O-N 3.09Å; E250-D253 PolarHBondContact O-N 3.45Å; E250-K254 WeakPolarHBondContact O-CG 3.29Å; E250-K254 PolarHBondContact O-N 2.89Å; E250-K254 IonicContact OE1-NZ 3.16Å
251L82.3Confident77.7Confident89 Ų8987.6 Ų87.647%0.46645%0.446SS..Hα-helixtrans-73.3-33.4178-17757.8000111V247 P248 D249 D253 K254 V255V247-L251 HydrophobicContact CG1-CB 3.63Å; V247-L251 HydrophobicContact CG1-CD2 3.81Å; V247-L251 HydrophobicContact CG1-CG 3.66Å; P248-L251 WeakPolarHBondContact O-CA 3.3Å; P248-L251 PolarHBondContact O-N 3.27Å; D249-L251 PolarHBondContact O-N 3.38Å; L251-D253 VanDerWaalsContact C-N 3.33Å; L251-K254 HydrophobicContact CD1-CB 4.44Å; L251-K254 PolarHBondContact O-N 3.33Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.36Å; L251-V255 PolarHBondContact O-N 3.39Å
252Q79.3Confident78.1Confident27 Ų2786.4 Ų86.413%0.12644%0.436CS..Hα-helixtrans-61.8-42.3171.1-63.5178.138.100111.5V247 P248 D249 V255 R256V247-Q252 HydrophobicContact CB-CG 4.19Å; V247-Q252 HydrophobicContact CG1-CG 3.8Å; V247-Q252 PolarHBondContact O-NE2 3.49Å; P248-Q252 PolarHBondContact O-N 3.43Å; D249-Q252 WeakPolarHBondContact O-CB 3.15Å; D249-Q252 PolarHBondContact O-N 2.92Å; D249-Q252 PolarHBondContact OD1-NE2 3.26Å; D249-Q252 VanDerWaalsContact OD1-NE2 3.11Å; Q252-V255 PolarHBondContact O-N 3Å; Q252-R256 WeakPolarHBondContact O-CG 3.49Å; Q252-R256 PolarHBondContact O-N 3.28Å
253D84.1Confident78.3Confident72 Ų7292.4 Ų92.439%0.38545%0.45SS..Hα-helixtrans-67.5-38.3177.5-74.6-22000112.1D249 E250 L251 V255 R256 Q257D249-D253 PolarHBondContact O-N 2.86Å; E250-D253 PolarHBondContact O-N 3.45Å; L251-D253 VanDerWaalsContact C-N 3.33Å; D253-V255 PolarHBondContact O-N 3.47Å; D253-R256 PolarHBondContact O-N 2.94Å; D253-R256 IonicContact OD1-CZ 3.71Å; D253-R256 IonicContact OD1-NH1 2.87Å; D253-R256 PolarHBondContact OD1-NH1 3.27Å; D253-Q257 WeakPolarHBondContact O-CB 3.49Å; D253-Q257 VanDerWaalsContact O-CG 3.29Å; D253-Q257 WeakPolarHBondContact O-CG 3.43Å; D253-Q257 PolarHBondContact O-N 3.37Å
254K85.2Confident78.7Confident76 Ų7692.9 Ų92.933%0.3345%0.452SS..Hα-helixtrans-58.9-46.1170.1-75.8-176.3-178.7-173.80111.7E250 L251 R256 Q257 W258 L322E250-K254 WeakPolarHBondContact O-CG 3.29Å; E250-K254 PolarHBondContact O-N 2.89Å; E250-K254 IonicContact OE1-NZ 3.16Å; L251-K254 HydrophobicContact CD1-CB 4.44Å; L251-K254 PolarHBondContact O-N 3.33Å; K254-R256 VanDerWaalsContact C-N 3.35Å; K254-R256 PolarHBondContact O-N 2.97Å; K254-Q257 PolarHBondContact O-N 3.39Å; K254-W258 WeakPolarHBondContact O-CB 3.48Å; K254-W258 PolarHBondContact O-N 3.04Å; K254-L322 HydrophobicContact CB-CD1 3.82Å; K254-L322 HydrophobicContact CG-CD1 4.22Å; K254-L322 WeakPolarHBondContact O-CD1 3.49Å
255V80.5Confident78.8Confident65 Ų6589.6 Ų89.639%0.39444%0.437SS..Hα-helixtrans-60.7-43.6176.1170.90000111L251 Q252 D253 Q257 W258 F259L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.36Å; L251-V255 PolarHBondContact O-N 3.39Å; Q252-V255 PolarHBondContact O-N 3Å; D253-V255 PolarHBondContact O-N 3.47Å; V255-Q257 PolarHBondContact O-N 2.88Å; V255-W258 WeakPolarHBondContact O-CB 3.49Å; V255-W258 PolarHBondContact O-N 3.5Å; V255-F259 HydrophobicContact CG1-CD2 3.61Å; V255-F259 HydrophobicContact CG1-CE2 3.54Å; V255-F259 VanDerWaalsContact O-CD2 3.24Å; V255-F259 WeakPolarHBondContact O-CD2 3.4Å; V255-F259 PolarHBondContact O-N 3.22Å
256R82.7Confident78.1Confident130 Ų13085.7 Ų85.749%0.49142%0.421SS..Hα-helixtrans-61.6-43.3175.6-72.3175.1-171.5124.59.3112.4Q252 D253 K254 F259 T260Q252-R256 WeakPolarHBondContact O-CG 3.49Å; Q252-R256 PolarHBondContact O-N 3.28Å; D253-R256 PolarHBondContact O-N 2.94Å; D253-R256 IonicContact OD1-CZ 3.71Å; D253-R256 IonicContact OD1-NH1 2.87Å; D253-R256 PolarHBondContact OD1-NH1 3.27Å; K254-R256 VanDerWaalsContact C-N 3.35Å; K254-R256 PolarHBondContact O-N 2.97Å; R256-F259 PolarHBondContact O-N 3.5Å; R256-T260 WeakPolarHBondContact O-CB 3.35Å; R256-T260 PolarHBondContact O-N 3.26Å; R256-T260 PolarHBondContact O-OG1 3.43Å
257Q85.9Confident77.5Confident93 Ų9394.8 Ų94.844%0.43544%0.437SS..Hα-helixtrans-63.9-43.1176.9-73.1176.240.900111.3D253 K254 V255 T260 Y261 L322D253-Q257 WeakPolarHBondContact O-CB 3.49Å; D253-Q257 VanDerWaalsContact O-CG 3.29Å; D253-Q257 WeakPolarHBondContact O-CG 3.43Å; D253-Q257 PolarHBondContact O-N 3.37Å; K254-Q257 PolarHBondContact O-N 3.39Å; V255-Q257 PolarHBondContact O-N 2.88Å; Q257-T260 PolarHBondContact O-N 3.06Å; Q257-Y261 WeakPolarHBondContact O-CB 3.35Å; Q257-Y261 PolarHBondContact O-N 2.86Å; Q257-L322 HydrophobicContact CB-CD2 4.38Å
258W84.8Confident76.2Confident97 Ų9794.6 Ų94.637%0.36744%0.439SS..Hα-helixtrans-58.4-51.2174.7-176.891.3000111.2K254 V255 T260 Y261 A262 L322K254-W258 WeakPolarHBondContact O-CB 3.48Å; K254-W258 PolarHBondContact O-N 3.04Å; V255-W258 WeakPolarHBondContact O-CB 3.49Å; V255-W258 PolarHBondContact O-N 3.5Å; W258-T260 VanDerWaalsContact C-N 3.32Å; W258-T260 PolarHBondContact O-N 3.09Å; W258-Y261 PolarHBondContact O-N 3.16Å; W258-A262 HydrophobicContact CD2-CB 4.46Å; W258-A262 HydrophobicContact CE3-CB 4.39Å; W258-A262 HydrophobicContact CH2-CB 4.39Å; W258-A262 HydrophobicContact CZ2-CB 4.47Å; W258-A262 HydrophobicContact CZ3-CB 4.35Å; W258-A262 WeakPolarHBondContact O-CB 3.41Å; W258-A262 PolarHBondContact O-N 2.92Å; W258-L322 HydrophobicContact CB-CD1 4.24Å; W258-L322 HydrophobicContact CB-CD2 4.02Å; W258-L322 HydrophobicContact CB-CG 4.41Å
259F78.2Confident74.4Confident125 Ų12593.3 Ų93.355%0.54843%0.428SS..Hα-helixtrans-61.4-39.8176.9-85.2-68.9000112.2V255 R256 W263V255-F259 HydrophobicContact CG1-CD2 3.61Å; V255-F259 HydrophobicContact CG1-CE2 3.54Å; V255-F259 VanDerWaalsContact O-CD2 3.24Å; V255-F259 WeakPolarHBondContact O-CD2 3.4Å; V255-F259 PolarHBondContact O-N 3.22Å; R256-F259 PolarHBondContact O-N 3.5Å; F259-W263 WeakPolarHBondContact O-CB 3.45Å; F259-W263 PolarHBondContact O-N 3.04Å
260T79.9Confident72.9Confident78 Ų7891.6 Ų91.648%0.47943%0.425SS..Hα-helixtrans-65.9-42.4179.7-58.10000111.7R256 Q257 W258 K264R256-T260 WeakPolarHBondContact O-CB 3.35Å; R256-T260 PolarHBondContact O-N 3.26Å; R256-T260 PolarHBondContact O-OG1 3.43Å; Q257-T260 PolarHBondContact O-N 3.06Å; W258-T260 VanDerWaalsContact C-N 3.32Å; W258-T260 PolarHBondContact O-N 3.09Å; T260-K264 WeakPolarHBondContact O-CG 3.42Å; T260-K264 PolarHBondContact O-N 3.12Å; T260-K264 VanDerWaalsContact O-N 3.1Å
261Y83.3Confident71.4Confident41 Ų4187.4 Ų87.416%0.16141%0.405CS..Hα-helixtrans-70.3-47.6176.2-180-92.8000111.1Q257 W258 W263 K264 E265 I320 F389Q257-Y261 WeakPolarHBondContact O-CB 3.35Å; Q257-Y261 PolarHBondContact O-N 2.86Å; W258-Y261 PolarHBondContact O-N 3.16Å; Y261-W263 PolarHBondContact O-N 3.01Å; Y261-K264 PolarHBondContact O-N 3.36Å; Y261-K264 VanDerWaalsContact O-N 3.15Å; Y261-E265 WeakPolarHBondContact O-CB 3.38Å; Y261-E265 PolarHBondContact O-N 3.39Å; Y261-I320 HydrophobicContact CD1-CD1 4.1Å; Y261-I320 HydrophobicContact CD1-CG1 4.49Å; Y261-I320 HydrophobicContact CD1-CG2 3.56Å; Y261-I320 HydrophobicContact CE1-CD1 4.25Å; Y261-I320 HydrophobicContact CE1-CG1 4.31Å; Y261-I320 HydrophobicContact CE1-CG2 3.78Å; Y261-F389 HydrophobicContact CD1-CB 4.38Å; Y261-F389 AromaticContact CD1-CD1 3.91Å; Y261-F389 HydrophobicContact CD1-CD1 3.91Å; Y261-F389 HydrophobicContact CD1-CG 4.48Å; Y261-F389 HydrophobicContact CD2-CB 3.65Å; Y261-F389 AromaticContact CD2-CD1 3.46Å; Y261-F389 HydrophobicContact CD2-CD1 3.46Å; Y261-F389 VanDerWaalsContact CD2-CD1 3.46Å; Y261-F389 HydrophobicContact CD2-CD2 4.17Å; Y261-F389 HydrophobicContact CD2-CE1 4.12Å; Y261-F389 AromaticContact CD2-CG 3.49Å; Y261-F389 HydrophobicContact CD2-CG 3.49Å; Y261-F389 VanDerWaalsContact CD2-CG 3.49Å; Y261-F389 HydrophobicContact CE1-CB 4.11Å; Y261-F389 HydrophobicContact CE1-CD1 4.46Å; Y261-F389 HydrophobicContact CE2-CB 3.32Å; Y261-F389 HydrophobicContact CE2-CD1 4.08Å; Y261-F389 HydrophobicContact CE2-CD2 4.48Å; Y261-F389 AromaticContact CE2-CG 3.73Å; Y261-F389 HydrophobicContact CE2-CG 3.73Å; Y261-F389 HydrophobicContact CG-CB 4.17Å; Y261-F389 AromaticContact CG-CD1 3.36Å; Y261-F389 HydrophobicContact CG-CD1 3.36Å; Y261-F389 AromaticContact CG-CE1 3.91Å; Y261-F389 HydrophobicContact CG-CE1 3.91Å; Y261-F389 AromaticContact CG-CG 3.9Å; Y261-F389 HydrophobicContact CG-CG 3.9Å
262A78.8Confident69.9Low8 Ų886.9 Ų86.97%0.06641%0.409CS..Hα-helixtrans-57.5-37.7175.600000111.6W258 E265 Q266 I320W258-A262 HydrophobicContact CD2-CB 4.46Å; W258-A262 HydrophobicContact CE3-CB 4.39Å; W258-A262 HydrophobicContact CH2-CB 4.39Å; W258-A262 HydrophobicContact CZ2-CB 4.47Å; W258-A262 HydrophobicContact CZ3-CB 4.35Å; W258-A262 WeakPolarHBondContact O-CB 3.41Å; W258-A262 PolarHBondContact O-N 2.92Å; A262-E265 CarbonylContact O-C 3.56Å; A262-E265 PolarHBondContact O-N 2.71Å; A262-Q266 WeakPolarHBondContact O-CA 3.26Å; A262-Q266 WeakPolarHBondContact O-CB 3.17Å; A262-Q266 PolarHBondContact O-N 3.43Å; A262-I320 HydrophobicContact CB-CD1 3.75Å
263W74.6Confident68.8Low190 Ų19091.7 Ų91.772%0.7244%0.435SS*.Hα-helixtrans-67.3-44.1175.4-173.8-93.5000112.6F259 Y261 E265 Q266F259-W263 WeakPolarHBondContact O-CB 3.45Å; F259-W263 PolarHBondContact O-N 3.04Å; Y261-W263 PolarHBondContact O-N 3.01Å; W263-E265 VanDerWaalsContact C-N 3.3Å; W263-E265 PolarHBondContact O-N 3.08Å; W263-Q266 WeakPolarHBondContact O-CB 3.14Å; W263-Q266 PolarHBondContact O-N 2.74Å; W263-Q266 VanDerWaalsContact O-N 3.12Å
264K74.7Confident67.7Low155 Ų15590.5 Ų90.567%0.67444%0.436SS*.Hα-helixtrans-61.7-40.9173.9-74.8175.7-177.81800111.3T260 Y261 Q266T260-K264 WeakPolarHBondContact O-CG 3.42Å; T260-K264 PolarHBondContact O-N 3.12Å; T260-K264 VanDerWaalsContact O-N 3.1Å; Y261-K264 PolarHBondContact O-N 3.36Å; Y261-K264 VanDerWaalsContact O-N 3.15Å; K264-Q266 VanDerWaalsContact C-N 3.3Å
265E69.6Low66.6Low39 Ų3988 Ų8818%0.18243%0.426CS..Hα-helixtrans-76.2-17.5175.7-157.567.5-16800111.8Y261 A262 W263 R267 A268 L269 K342Y261-E265 WeakPolarHBondContact O-CB 3.38Å; Y261-E265 PolarHBondContact O-N 3.39Å; A262-E265 CarbonylContact O-C 3.56Å; A262-E265 PolarHBondContact O-N 2.71Å; W263-E265 VanDerWaalsContact C-N 3.3Å; W263-E265 PolarHBondContact O-N 3.08Å; E265-R267 PolarHBondContact O-N 3.29Å; E265-R267 VanDerWaalsContact O-N 3.12Å; E265-A268 WeakPolarHBondContact O-CA 3.43Å; E265-A268 VanDerWaalsContact O-CB 3.28Å; E265-A268 WeakPolarHBondContact O-CB 3.34Å; E265-A268 PolarHBondContact O-N 2.77Å; E265-L269 HydrophobicContact CB-CD1 4.4Å; E265-L269 PolarHBondContact O-N 3.04Å; E265-K342 IonicContact OE1-NZ 3.34Å; E265-K342 PolarHBondContact OE1-NZ 3.25Å
266Q55.6Low65.9Low85 Ų8588.9 Ų88.940%0.39743%0.434SS..Hα-helixtrans-68.9-9.3-176.7-121.9179.5-2200114.2A262 W263 K264 A268 L269 S270A262-Q266 WeakPolarHBondContact O-CA 3.26Å; A262-Q266 WeakPolarHBondContact O-CB 3.17Å; A262-Q266 PolarHBondContact O-N 3.43Å; W263-Q266 WeakPolarHBondContact O-CB 3.14Å; W263-Q266 PolarHBondContact O-N 2.74Å; W263-Q266 VanDerWaalsContact O-N 3.12Å; K264-Q266 VanDerWaalsContact C-N 3.3Å; Q266-A268 PolarHBondContact O-N 2.86Å; Q266-A268 VanDerWaalsContact O-N 3.08Å; Q266-L269 HydrophobicContact CB-CB 4.42Å; Q266-L269 HydrophobicContact CG-CB 3.62Å; Q266-L269 HydrophobicContact CG-CD1 4.26Å; Q266-L269 PolarHBondContact O-N 2.85Å; Q266-S270 PolarHBondContact O-N 2.78Å
267R52.7Low65.4Low250 Ų25091.6 Ų91.694%0.94345%0.45SS*.Hα-helixtrans-56.6-12.8157.1-77.3-173.9171.5-172.8-2.5112.7E265E265-R267 PolarHBondContact O-N 3.29Å; E265-R267 VanDerWaalsContact O-N 3.12Å
268A45.1Very low65Low34 Ų3490.2 Ų90.228%0.28145%0.445SS..Hα-helixtrans-110.9-37.7168.100000114E265 Q266 S270 E271E265-A268 WeakPolarHBondContact O-CA 3.43Å; E265-A268 VanDerWaalsContact O-CB 3.28Å; E265-A268 WeakPolarHBondContact O-CB 3.34Å; E265-A268 PolarHBondContact O-N 2.77Å; Q266-A268 PolarHBondContact O-N 2.86Å; Q266-A268 VanDerWaalsContact O-N 3.08Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 3.34Å; A268-E271 VanDerWaalsContact O-CB 3.26Å; A268-E271 WeakPolarHBondContact O-CB 3.15Å; A268-E271 VanDerWaalsContact O-CD 3.23Å; A268-E271 WeakPolarHBondContact O-CG 3.07Å; A268-E271 PolarHBondContact O-N 3.27Å
269L44Very low64.9Low54 Ų5489.6 Ų89.628%0.28345%0.453SS..Hα-helixtrans-75.6-7-173.7-70.9149000116.2E265 Q266 E271 I320E265-L269 HydrophobicContact CB-CD1 4.4Å; E265-L269 PolarHBondContact O-N 3.04Å; Q266-L269 HydrophobicContact CB-CB 4.42Å; Q266-L269 HydrophobicContact CG-CB 3.62Å; Q266-L269 HydrophobicContact CG-CD1 4.26Å; Q266-L269 PolarHBondContact O-N 2.85Å; L269-E271 PolarHBondContact O-N 3.3Å; L269-I320 HydrophobicContact CD1-CD1 4.04Å
270S47.5Very low65Low81 Ų8187.5 Ų87.557%0.56645%0.451SS*.THydrogen-bonded Turntrans-63.5-2.3167.21040000112.5Q266 A268 A274Q266-S270 PolarHBondContact O-N 2.78Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 3.34Å; S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 3.47Å
271E50Low65Low47 Ų4789.2 Ų89.222%0.2246%0.457CS..Hα-helixtrans-67.1-46.2175.3-78.8172.1-16700112.8A268 L269 D273 A274 L275 M286 V290A268-E271 VanDerWaalsContact O-CB 3.26Å; A268-E271 WeakPolarHBondContact O-CB 3.15Å; A268-E271 VanDerWaalsContact O-CD 3.23Å; A268-E271 WeakPolarHBondContact O-CG 3.07Å; A268-E271 PolarHBondContact O-N 3.27Å; L269-E271 PolarHBondContact O-N 3.3Å; E271-D273 PolarHBondContact O-N 3.29Å; E271-A274 PolarHBondContact O-N 2.7Å; E271-L275 HydrophobicContact CB-CD1 3.59Å; E271-L275 HydrophobicContact CB-CG 3.96Å; E271-L275 HydrophobicContact CG-CD1 4.41Å; E271-L275 VanDerWaalsContact O-CA 3.31Å; E271-L275 WeakPolarHBondContact O-CA 3.42Å; E271-L275 WeakPolarHBondContact O-CB 3.48Å; E271-L275 VanDerWaalsContact O-CD1 3.29Å; E271-L275 WeakPolarHBondContact O-CD1 3.41Å; E271-L275 WeakPolarHBondContact O-CG 3.36Å; E271-L275 PolarHBondContact O-N 2.9Å; E271-M286 HydrophobicContact CG-CE 4.35Å; E271-V290 WeakPolarHBondContact OE1-CG2 3.26Å
272S52.1Low65Low77 Ų7791.5 Ų91.554%0.53847%0.471SS..Hα-helixtrans-63-41.7-171.161.80000114.5C276S272-C276 PolarHBondContact O-N 2.71Å
273D55.9Low64.9Low128 Ų12893 Ų9368%0.68448%0.477SS*.Hα-helixtrans-84.4-21.4179.7-70.8-11.4000113.3E271 C276E271-D273 PolarHBondContact O-N 3.29Å; D273-C276 PolarHBondContact O-SG 2.98Å
274A60Low65Low48 Ų4884.4 Ų84.440%0.39745%0.445SS..Hα-helixtrans-87-39172.500000112S270 E271 C276 K277S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 3.47Å; E271-A274 PolarHBondContact O-N 2.7Å; A274-C276 VanDerWaalsContact C-N 3.27Å; A274-C276 PolarHBondContact O-N 3.41Å; A274-K277 WeakPolarHBondContact O-CB 3.39Å; A274-K277 PolarHBondContact O-N 3.03Å; A274-K277 VanDerWaalsContact O-N 3.1Å
275L62Low65.3Low23 Ų2380.4 Ų80.412%0.1243%0.431CS..Hα-helixtrans-58-41.3173.1-72.1166.6000109.6E271 K277 L278 Q283 M286E271-L275 HydrophobicContact CB-CD1 3.59Å; E271-L275 HydrophobicContact CB-CG 3.96Å; E271-L275 HydrophobicContact CG-CD1 4.41Å; E271-L275 VanDerWaalsContact O-CA 3.31Å; E271-L275 WeakPolarHBondContact O-CA 3.42Å; E271-L275 WeakPolarHBondContact O-CB 3.48Å; E271-L275 VanDerWaalsContact O-CD1 3.29Å; E271-L275 WeakPolarHBondContact O-CD1 3.41Å; E271-L275 WeakPolarHBondContact O-CG 3.36Å; E271-L275 PolarHBondContact O-N 2.9Å; L275-K277 PolarHBondContact O-N 2.6Å; L275-L278 HydrophobicContact CD2-CD1 4.22Å; L275-L278 WeakPolarHBondContact O-CA 3.33Å; L275-L278 WeakPolarHBondContact O-CB 3.36Å; L275-L278 PolarHBondContact O-N 2.87Å; L275-Q283 HydrophobicContact CB-CB 4.46Å; L275-Q283 HydrophobicContact CB-CG 4.07Å; L275-Q283 HydrophobicContact CD2-CB 4.26Å; L275-Q283 HydrophobicContact CD2-CG 4.47Å; L275-Q283 WeakPolarHBondContact O-CG 3.27Å; L275-Q283 PolarHBondContact O-NE2 3.42Å; L275-M286 HydrophobicContact CD2-CB 3.64Å; L275-M286 HydrophobicContact CD2-CE 4.19Å; L275-M286 HydrophobicContact CD2-CG 4.22Å; L275-M286 HydrophobicContact CD2-SD 3.72Å
276C66.7Low65.5Low84 Ų8481.7 Ų81.757%0.56844%0.438SS*.THydrogen-bonded Turntrans-61.3-19.2179.877.60000113.6S272 D273 A274S272-C276 PolarHBondContact O-N 2.71Å; D273-C276 PolarHBondContact O-SG 2.98Å; A274-C276 VanDerWaalsContact C-N 3.27Å; A274-C276 PolarHBondContact O-N 3.41Å
277K72.6Confident66.4Low187 Ų18778.4 Ų78.481%0.81343%0.425SS*.THydrogen-bonded Turntrans-84.4-19.6170.8-61.6-173.6177.7-177.30113.7A274 L275A274-K277 WeakPolarHBondContact O-CB 3.39Å; A274-K277 PolarHBondContact O-N 3.03Å; A274-K277 VanDerWaalsContact O-N 3.1Å; L275-K277 PolarHBondContact O-N 2.6Å
278L76.3Confident67.4Low63 Ų6367.9 Ų67.933%0.3339%0.387SS..SBendtrans-79.6149.2176.4-68.5171.3000110.7L275 L282 Q283 M286L275-L278 HydrophobicContact CD2-CD1 4.22Å; L275-L278 WeakPolarHBondContact O-CA 3.33Å; L275-L278 WeakPolarHBondContact O-CB 3.36Å; L275-L278 PolarHBondContact O-N 2.87Å; L278-L282 HydrophobicContact CB-CB 4.23Å; L278-L282 HydrophobicContact CD2-CD1 4.3Å; L278-Q283 HydrophobicContact CB-CG 4.14Å; L278-Q283 PolarHBondContact O-NE2 2.87Å; L278-M286 HydrophobicContact CD1-SD 3.5Å; L278-M286 VanDerWaalsContact CD1-SD 3.5Å
279P82.8Confident68.8Low84 Ų8470.1 Ų70.155%0.54540%0.401SS..  trans-52.2142.4166.9-24.431.1000112.2N281 L282 Q283P279-N281 PolarHBondContact O-N 2.95Å; P279-L282 HydrophobicContact CG-CD1 4.38Å; P279-L282 PolarHBondContact O-N 3.12Å; P279-Q283 PolarHBondContact O-N 3.43Å; P279-Q283 VanDerWaalsContact O-N 3.1Å
280V80.5Confident70.2Confident82 Ų8270.6 Ų70.650%0.49741%0.406SS..Hα-helixtrans-48.8-40.7-175.1179.10000113L282 Q283 V284 L314V280-L282 PolarHBondContact O-N 3.49Å; V280-Q283 WeakPolarHBondContact O-CB 3.29Å; V280-Q283 PolarHBondContact O-N 2.91Å; V280-V284 WeakPolarHBondContact O-CG2 3.43Å; V280-V284 PolarHBondContact O-N 3.35Å; V280-L314 HydrophobicContact CG1-CD1 3.74Å; V280-L314 HydrophobicContact CG1-CD2 4.38Å
281N80.9Confident71.4Confident114 Ų11467.6 Ų67.661%0.6138%0.384SS*.Hα-helixtrans-62.4-41178.4-65.9-24.5000113P279 Q283 V284 D285P279-N281 PolarHBondContact O-N 2.95Å; N281-Q283 VanDerWaalsContact C-N 3.32Å; N281-V284 PolarHBondContact O-N 2.83Å; N281-D285 WeakPolarHBondContact O-CB 3.29Å; N281-D285 PolarHBondContact O-N 3.29Å
282L82.1Confident72.5Confident88 Ų8871.2 Ų71.246%0.46140%0.396SS..Hα-helixtrans-70.6-32.6176.3-69.8-179.4000111.4L278 P279 V280 V284 M286L278-L282 HydrophobicContact CB-CB 4.23Å; L278-L282 HydrophobicContact CD2-CD1 4.3Å; P279-L282 HydrophobicContact CG-CD1 4.38Å; P279-L282 PolarHBondContact O-N 3.12Å; V280-L282 PolarHBondContact O-N 3.49Å; L282-V284 VanDerWaalsContact C-N 3.34Å; L282-M286 VanDerWaalsContact O-CB 3.3Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 2.92Å; L282-M286 PolarHBondContact O-N 2.8Å
283Q78.5Confident73.5Confident41 Ų4174.5 Ų74.519%0.19240%0.403CS..Hα-helixtrans-60.6-48.2173.9-59.2-177.817.400111.2L275 L278 P279 V280 N281 M286 A287 L314L275-Q283 HydrophobicContact CB-CB 4.46Å; L275-Q283 HydrophobicContact CB-CG 4.07Å; L275-Q283 HydrophobicContact CD2-CB 4.26Å; L275-Q283 HydrophobicContact CD2-CG 4.47Å; L275-Q283 WeakPolarHBondContact O-CG 3.27Å; L275-Q283 PolarHBondContact O-NE2 3.42Å; L278-Q283 HydrophobicContact CB-CG 4.14Å; L278-Q283 PolarHBondContact O-NE2 2.87Å; P279-Q283 PolarHBondContact O-N 3.43Å; P279-Q283 VanDerWaalsContact O-N 3.1Å; V280-Q283 WeakPolarHBondContact O-CB 3.29Å; V280-Q283 PolarHBondContact O-N 2.91Å; N281-Q283 VanDerWaalsContact C-N 3.32Å; Q283-M286 PolarHBondContact O-N 2.75Å; Q283-A287 VanDerWaalsContact O-CB 3.3Å; Q283-A287 WeakPolarHBondContact O-CB 3.44Å; Q283-A287 PolarHBondContact O-N 3.26Å; Q283-L314 HydrophobicContact CB-CD2 4.29Å
284V74.9Confident74.5Confident8 Ų869 Ų695%0.04837%0.374CS..Hα-helixtrans-62.2-49.9178.2171.80000111.3V280 N281 L282 M286 A287 I288 R310 L314V280-V284 WeakPolarHBondContact O-CG2 3.43Å; V280-V284 PolarHBondContact O-N 3.35Å; N281-V284 PolarHBondContact O-N 2.83Å; L282-V284 VanDerWaalsContact C-N 3.34Å; V284-M286 VanDerWaalsContact C-N 3.3Å; V284-M286 PolarHBondContact O-N 3.29Å; V284-A287 PolarHBondContact O-N 3.03Å; V284-I288 HydrophobicContact CG1-CD1 3.79Å; V284-I288 HydrophobicContact CG1-CG1 4.44Å; V284-I288 WeakPolarHBondContact O-CB 2.92Å; V284-I288 WeakPolarHBondContact O-CG1 3.28Å; V284-I288 PolarHBondContact O-N 3.1Å; V284-R310 HydrophobicContact CG1-CB 3.59Å; V284-R310 HydrophobicContact CG1-CG 3.37Å; V284-L314 HydrophobicContact CG2-CD1 3.71Å; V284-L314 HydrophobicContact CG2-CD2 3.58Å; V284-L314 HydrophobicContact CG2-CG 3.57Å
285D81.1Confident75.1Confident71 Ų7167 Ų6738%0.3836%0.357SS..Hα-helixtrans-65.3-36.8-177.3-72.3-22.2000111.1N281 S289 R310N281-D285 WeakPolarHBondContact O-CB 3.29Å; N281-D285 PolarHBondContact O-N 3.29Å; D285-S289 VanDerWaalsContact O-CB 3.28Å; D285-S289 WeakPolarHBondContact O-CB 3.21Å; D285-S289 PolarHBondContact O-N 2.91Å; D285-S289 PolarHBondContact O-OG 3.21Å; D285-R310 IonicContact OD1-CZ 3.54Å; D285-R310 IonicContact OD1-NH2 3.17Å; D285-R310 PolarHBondContact OD1-NH2 3.47Å
286M75.5Confident75.6Confident67 Ų6774.2 Ų74.233%0.3338%0.383SS..Hα-helixtrans-63.7-51.1170.7-78.4-169.668.100111.7E271 L275 L278 L282 Q283 V284 I288 S289 V290E271-M286 HydrophobicContact CG-CE 4.35Å; L275-M286 HydrophobicContact CD2-CB 3.64Å; L275-M286 HydrophobicContact CD2-CE 4.19Å; L275-M286 HydrophobicContact CD2-CG 4.22Å; L275-M286 HydrophobicContact CD2-SD 3.72Å; L278-M286 HydrophobicContact CD1-SD 3.5Å; L278-M286 VanDerWaalsContact CD1-SD 3.5Å; L282-M286 VanDerWaalsContact O-CB 3.3Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 2.92Å; L282-M286 PolarHBondContact O-N 2.8Å; Q283-M286 PolarHBondContact O-N 2.75Å; V284-M286 VanDerWaalsContact C-N 3.3Å; V284-M286 PolarHBondContact O-N 3.29Å; M286-I288 VanDerWaalsContact C-N 3.27Å; M286-I288 PolarHBondContact O-N 3.02Å; M286-S289 WeakPolarHBondContact CA-OG 3.47Å; M286-S289 PolarHBondContact O-N 2.65Å; M286-S289 PolarHBondContact O-OG 3.09Å; M286-V290 VanDerWaalsContact O-CG2 3.29Å; M286-V290 WeakPolarHBondContact O-CG2 3.35Å; M286-V290 PolarHBondContact O-N 2.76Å
287A73.4Confident76.1Confident15 Ų1575.4 Ų75.412%0.12438%0.378CS..Hα-helixtrans-57.4-40.8179.700000112.3Q283 V284 N291 M313Q283-A287 VanDerWaalsContact O-CB 3.3Å; Q283-A287 WeakPolarHBondContact O-CB 3.44Å; Q283-A287 PolarHBondContact O-N 3.26Å; V284-A287 PolarHBondContact O-N 3.03Å; A287-N291 WeakPolarHBondContact O-CB 3.24Å; A287-N291 PolarHBondContact O-N 2.92Å; A287-N291 PolarHBondContact O-ND2 2.86Å; A287-N291 VanDerWaalsContact O-ND2 3.09Å; A287-M313 HydrophobicContact CB-CB 4.43Å; A287-M313 HydrophobicContact CB-SD 4.41Å
288I73.5Confident76.2Confident29 Ų2966.5 Ų66.515%0.14934%0.339CS..Hα-helixtrans-65.8-47.4173.4-69.5173.2000110.1V284 M286 V290 N291 Y292 R310 M313V284-I288 HydrophobicContact CG1-CD1 3.79Å; V284-I288 HydrophobicContact CG1-CG1 4.44Å; V284-I288 WeakPolarHBondContact O-CB 2.92Å; V284-I288 WeakPolarHBondContact O-CG1 3.28Å; V284-I288 PolarHBondContact O-N 3.1Å; M286-I288 VanDerWaalsContact C-N 3.27Å; M286-I288 PolarHBondContact O-N 3.02Å; I288-V290 PolarHBondContact O-N 3.07Å; I288-N291 CarbonylContact O-C 3.5Å; I288-N291 PolarHBondContact O-N 3.42Å; I288-Y292 HydrophobicContact CG2-CD2 4.09Å; I288-Y292 WeakPolarHBondContact O-CA 3.31Å; I288-Y292 WeakPolarHBondContact O-CB 3.09Å; I288-Y292 PolarHBondContact O-N 3.24Å; I288-R310 HydrophobicContact CD1-CG 3.76Å; I288-M313 HydrophobicContact CG1-CG 3.88Å; I288-M313 HydrophobicContact CG1-SD 4.34Å
289S74.4Confident75.8Confident81 Ų8169.5 Ų69.557%0.56635%0.352SS*.Hα-helixtrans-61.8-41.3-177.272.40000113D285 M286D285-S289 VanDerWaalsContact O-CB 3.28Å; D285-S289 WeakPolarHBondContact O-CB 3.21Å; D285-S289 PolarHBondContact O-N 2.91Å; D285-S289 PolarHBondContact O-OG 3.21Å; M286-S289 WeakPolarHBondContact CA-OG 3.47Å; M286-S289 PolarHBondContact O-N 2.65Å; M286-S289 PolarHBondContact O-OG 3.09Å
290V72.8Confident75Confident64 Ų6466.5 Ų66.539%0.38833%0.331SS..Hα-helixtrans-71-37.4-178.2174.70000110.9E271 M286 I288E271-V290 WeakPolarHBondContact OE1-CG2 3.26Å; M286-V290 VanDerWaalsContact O-CG2 3.29Å; M286-V290 WeakPolarHBondContact O-CG2 3.35Å; M286-V290 PolarHBondContact O-N 2.76Å; I288-V290 PolarHBondContact O-N 3.07Å
291N73Confident74.5Confident19 Ų1963.4 Ų63.410%0.10231%0.311CS..Hα-helixtrans-107.810.6-173.9-57.9-54.3000113.8A287 I288 E293 T294 L295 F393A287-N291 WeakPolarHBondContact O-CB 3.24Å; A287-N291 PolarHBondContact O-N 2.92Å; A287-N291 PolarHBondContact O-ND2 2.86Å; A287-N291 VanDerWaalsContact O-ND2 3.09Å; I288-N291 CarbonylContact O-C 3.5Å; I288-N291 PolarHBondContact O-N 3.42Å; N291-E293 VanDerWaalsContact C-N 3.28Å; N291-E293 PolarHBondContact O-N 2.9Å; N291-T294 PolarHBondContact O-N 3.21Å; N291-L295 HydrophobicContact CB-CD1 3.92Å; N291-L295 HydrophobicContact CB-CG 4.34Å; N291-L295 WeakPolarHBondContact O-CG 3.46Å; N291-L295 PolarHBondContact O-N 2.85Å; N291-F393 HydrophobicContact CB-CE2 4.13Å; N291-F393 HydrophobicContact CB-CZ 4.15Å; N291-F393 WeakPolarHBondContact OD1-CZ 3.3Å
292Y72.7Confident74Confident122 Ų12265.5 Ų65.548%0.47831%0.31SS..Hα-helixtrans-55.6-44.1-172.2-175.2-105.2000111.9I288 T294 L295 R296I288-Y292 HydrophobicContact CG2-CD2 4.09Å; I288-Y292 WeakPolarHBondContact O-CA 3.31Å; I288-Y292 WeakPolarHBondContact O-CB 3.09Å; I288-Y292 PolarHBondContact O-N 3.24Å; Y292-T294 PolarHBondContact O-N 2.89Å; Y292-L295 PolarHBondContact O-N 2.86Å; Y292-R296 VanDerWaalsContact O-CB 3.3Å; Y292-R296 WeakPolarHBondContact O-CB 3.44Å; Y292-R296 PolarHBondContact O-N 2.88Å
293E74.8Confident73.4Confident146 Ų14667.4 Ų67.468%0.68232%0.321SS*.Hα-helixtrans-65.3-39.1-177-64-168.2168.900112.9N291 K297N291-E293 VanDerWaalsContact C-N 3.28Å; N291-E293 PolarHBondContact O-N 2.9Å; E293-K297 WeakPolarHBondContact O-CD 3.43Å; E293-K297 VanDerWaalsContact O-CG 3.28Å; E293-K297 WeakPolarHBondContact O-CG 3.36Å
294T75.7Confident73Confident13 Ų1366.8 Ų66.88%0.0832%0.321CS..Hα-helixtrans-71-46.5177.6-57.60000110N291 Y292 R296 K297 V298 I339 V340 N341N291-T294 PolarHBondContact O-N 3.21Å; Y292-T294 PolarHBondContact O-N 2.89Å; T294-R296 PolarHBondContact O-N 3.46Å; T294-K297 WeakPolarHBondContact O-CB 3.44Å; T294-K297 PolarHBondContact O-N 2.79Å; T294-K297 VanDerWaalsContact O-N 3.12Å; T294-V298 WeakPolarHBondContact O-CG2 3.41Å; T294-V298 PolarHBondContact O-N 3.44Å; T294-I339 HydrophobicContact CG2-CG2 4.35Å; T294-V340 VanDerWaalsContact CG2-O 3.29Å; T294-V340 WeakPolarHBondContact CG2-O 3.48Å; T294-N341 WeakPolarHBondContact CB-OD1 3.29Å; T294-N341 HydrophobicContact CG2-CB 4.46Å; T294-N341 PolarHBondContact OG1-OD1 3Å
295L72.6Confident73.1Confident6 Ų672.4 Ų72.43%0.03135%0.347CS..Hα-helixtrans-69.2-34.7-175.3-65.3165.4000112.9N291 Y292 K297 V298 F301 L309 M313N291-L295 HydrophobicContact CB-CD1 3.92Å; N291-L295 HydrophobicContact CB-CG 4.34Å; N291-L295 WeakPolarHBondContact O-CG 3.46Å; N291-L295 PolarHBondContact O-N 2.85Å; Y292-L295 PolarHBondContact O-N 2.86Å; L295-K297 PolarHBondContact O-N 2.93Å; L295-V298 WeakPolarHBondContact O-CB 3.37Å; L295-V298 PolarHBondContact O-N 3.43Å; L295-F301 HydrophobicContact CB-CD2 4.48Å; L295-F301 HydrophobicContact CD2-CD2 3.74Å; L295-F301 HydrophobicContact CD2-CE2 3.59Å; L295-L309 HydrophobicContact CD1-CD1 4.46Å; L295-M313 HydrophobicContact CD1-CE 3.62Å; L295-M313 HydrophobicContact CD1-CG 4.49Å; L295-M313 HydrophobicContact CD1-SD 3.26Å; L295-M313 WeakPolarHBondContact CD1-SD 3.27Å; L295-M313 HydrophobicContact CD2-CE 3.83Å; L295-M313 HydrophobicContact CG-CE 4.35Å
296R72.9Confident72.9Confident175 Ų17577.7 Ų77.766%0.6637%0.366SS*.Hα-helixtrans-63.8-30.9173.1-177.4177.3167.2-171.4-3.5112.2Y292 T294 R302Y292-R296 VanDerWaalsContact O-CB 3.3Å; Y292-R296 WeakPolarHBondContact O-CB 3.44Å; Y292-R296 PolarHBondContact O-N 2.88Å; T294-R296 PolarHBondContact O-N 3.46Å; R296-R302 PolarHBondContact O-NE 2.77Å
297K76.6Confident73.1Confident108 Ų10875.8 Ų75.847%0.4736%0.363SS..Hα-helixtrans-72.8-32.3177.2-70.4168.9-174.1172.90111.7E293 T294 L295 E299 R302E293-K297 WeakPolarHBondContact O-CD 3.43Å; E293-K297 VanDerWaalsContact O-CG 3.28Å; E293-K297 WeakPolarHBondContact O-CG 3.36Å; T294-K297 WeakPolarHBondContact O-CB 3.44Å; T294-K297 PolarHBondContact O-N 2.79Å; T294-K297 VanDerWaalsContact O-N 3.12Å; L295-K297 PolarHBondContact O-N 2.93Å; K297-E299 PolarHBondContact O-N 2.95Å; K297-R302 PolarHBondContact O-NH2 2.88Å
298V74.7Confident73.5Confident0 Ų075 Ų750%036%0.357CS..  trans-63.4115.2-179.5172.30000110.7T294 L295 L300 F301 I339 G363 V365T294-V298 WeakPolarHBondContact O-CG2 3.41Å; T294-V298 PolarHBondContact O-N 3.44Å; L295-V298 WeakPolarHBondContact O-CB 3.37Å; L295-V298 PolarHBondContact O-N 3.43Å; V298-L300 HydrophobicContact CG1-CB 3.49Å; V298-L300 VanDerWaalsContact CG1-CB 3.49Å; V298-L300 PolarHBondContact O-N 3.1Å; V298-F301 HydrophobicContact CB-CD2 3.79Å; V298-F301 HydrophobicContact CB-CE2 4.4Å; V298-F301 HydrophobicContact CG1-CD2 3.48Å; V298-F301 VanDerWaalsContact CG1-CD2 3.48Å; V298-F301 HydrophobicContact CG1-CE2 3.87Å; V298-F301 HydrophobicContact CG1-CG 4.1Å; V298-F301 HydrophobicContact CG2-CD2 4.39Å; V298-F301 PolarHBondContact O-N 3.18Å; V298-F301 VanDerWaalsContact O-N 3.11Å; V298-I339 HydrophobicContact CG2-CG2 3.53Å; V298-G363 WeakPolarHBondContact CG2-O 3.38Å; V298-V365 HydrophobicContact CB-CG2 4.29Å; V298-V365 HydrophobicContact CG1-CG2 3.42Å; V298-V365 VanDerWaalsContact CG1-CG2 3.42Å; V298-V365 HydrophobicContact CG2-CG2 4.07Å
299E68.1Low73.8Confident127 Ų12775.2 Ų75.259%0.59336%0.359SS*.THydrogen-bonded Turntrans-62.3-24.9179-62.8-174.4173.400113.3K297 F301K297-E299 PolarHBondContact O-N 2.95Å; E299-F301 PolarHBondContact O-N 3.43Å
300L67.2Low74Confident21 Ų2176.3 Ų76.311%0.1135%0.35CS..THydrogen-bonded Turntrans-60.9-31175.9-155.682000112.4V298 C304 M337 L414V298-L300 HydrophobicContact CG1-CB 3.49Å; V298-L300 VanDerWaalsContact CG1-CB 3.49Å; V298-L300 PolarHBondContact O-N 3.1Å; L300-C304 PolarHBondContact O-SG 2.89Å; L300-M337 HydrophobicContact CD2-CE 3.76Å; L300-M337 HydrophobicContact CD2-SD 4.44Å; L300-L414 HydrophobicContact CD1-CD1 4.22Å; L300-L414 HydrophobicContact CD1-CD2 3.13Å; L300-L414 HydrophobicContact CD1-CG 4.27Å; L300-L414 HydrophobicContact CG-CD1 4.42Å; L300-L414 HydrophobicContact CG-CD2 3.77Å
301F70.1Confident74.5Confident16 Ų1675.9 Ų75.97%0.0735%0.346CS..THydrogen-bonded Turntrans-108.9-3.2-170.1-60.7-43.9000114.5L295 V298 E299 D303 L309 L312 I339L295-F301 HydrophobicContact CB-CD2 4.48Å; L295-F301 HydrophobicContact CD2-CD2 3.74Å; L295-F301 HydrophobicContact CD2-CE2 3.59Å; V298-F301 HydrophobicContact CB-CD2 3.79Å; V298-F301 HydrophobicContact CB-CE2 4.4Å; V298-F301 HydrophobicContact CG1-CD2 3.48Å; V298-F301 VanDerWaalsContact CG1-CD2 3.48Å; V298-F301 HydrophobicContact CG1-CE2 3.87Å; V298-F301 HydrophobicContact CG1-CG 4.1Å; V298-F301 HydrophobicContact CG2-CD2 4.39Å; V298-F301 PolarHBondContact O-N 3.18Å; V298-F301 VanDerWaalsContact O-N 3.11Å; E299-F301 PolarHBondContact O-N 3.43Å; F301-D303 PolarHBondContact O-N 3.06Å; F301-L309 HydrophobicContact CB-CD1 4.11Å; F301-L309 HydrophobicContact CD1-CD1 4.13Å; F301-L309 HydrophobicContact CD2-CD1 4.08Å; F301-L309 HydrophobicContact CG-CD1 3.85Å; F301-L312 HydrophobicContact CD1-CD1 4.39Å; F301-L312 HydrophobicContact CE1-CD1 3.45Å; F301-L312 VanDerWaalsContact CE1-CD1 3.45Å; F301-L312 HydrophobicContact CZ-CD1 4.11Å; F301-I339 HydrophobicContact CE2-CD1 3.65Å; F301-I339 HydrophobicContact CZ-CD1 3.93Å
302R69.4Low74.9Confident158 Ų15875 Ų7560%0.59634%0.341SS*.THydrogen-bonded Turntrans-64.5-39-177.7-74.9-170.6-174.3170.111113.2R296 K297R296-R302 PolarHBondContact O-NE 2.77Å; K297-R302 PolarHBondContact O-NH2 2.88Å
303D69Low75.1Confident128 Ų12869.7 Ų69.768%0.68432%0.321SS*.THydrogen-bonded Turntrans-105.411.7-174.4-57.9-33.6000112.7F301F301-D303 PolarHBondContact O-N 3.06Å
304C70.8Confident75.3Confident29 Ų2966.5 Ų66.520%0.19631%0.308CS..SBendtrans-88.5148.5-178-70.70000112.6L300 L308L300-C304 PolarHBondContact O-SG 2.89Å; C304-L308 HydrophobicContact CB-CD2 3.93Å
305E77.7Confident75.7Confident126 Ų12668.9 Ų68.959%0.58932%0.317SS*.  trans-58.4143.2169.5-66.8-179.2-174.900110.9G307 L308 L309E305-G307 PolarHBondContact O-N 2.88Å; E305-G307 VanDerWaalsContact O-N 3.14Å; E305-L308 PolarHBondContact O-N 2.77Å; E305-L308 VanDerWaalsContact O-N 3.12Å; E305-L309 PolarHBondContact O-N 3.38Å
306K76.6Confident76.2Confident182 Ų18269.7 Ų69.779%0.79132%0.321SS*.Hα-helixtrans-56.8-31.5177.8-67.3-177.1-178.9178.40112L309 R310K306-L309 PolarHBondContact O-N 2.86Å; K306-R310 VanDerWaalsContact O-CG 3.25Å; K306-R310 WeakPolarHBondContact O-CG 3.3Å; K306-R310 PolarHBondContact O-N 3.24Å; K306-R310 VanDerWaalsContact O-N 3.14Å
307G79.1Confident76.8Confident26 Ų2668 Ų6827%0.26832%0.319SS..Hα-helixtrans-60.7-50.1175.600000112.6E305 L309 R310 D311 Y407E305-G307 PolarHBondContact O-N 2.88Å; E305-G307 VanDerWaalsContact O-N 3.14Å; G307-L309 VanDerWaalsContact C-N 3.3Å; G307-L309 PolarHBondContact O-N 3.42Å; G307-R310 WeakPolarHBondContact O-CB 3.48Å; G307-R310 PolarHBondContact O-N 3.5Å; G307-D311 PolarHBondContact O-N 3.02Å; G307-Y407 WeakPolarHBondContact CA-OH 3.23Å; G307-Y407 PolarHBondContact O-OH 3.24Å
308L81.6Confident77.2Confident0 Ų065.3 Ų65.30%031%0.314CS..Hα-helixtrans-58.3-42.7177.8174.960.9000112C304 E305 R310 D311 L312 T403 M404 Y407 A410C304-L308 HydrophobicContact CB-CD2 3.93Å; E305-L308 PolarHBondContact O-N 2.77Å; E305-L308 VanDerWaalsContact O-N 3.12Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 2.94Å; L308-D311 PolarHBondContact O-N 3.02Å; L308-L312 HydrophobicContact CD1-CD1 3.81Å; L308-L312 HydrophobicContact CD1-CG 3.93Å; L308-L312 HydrophobicContact CG-CD1 4.02Å; L308-L312 HydrophobicContact CG-CG 4.47Å; L308-L312 WeakPolarHBondContact O-CB 3.48Å; L308-L312 VanDerWaalsContact O-CG 3.31Å; L308-L312 WeakPolarHBondContact O-CG 3.41Å; L308-L312 PolarHBondContact O-N 3.17Å; L308-T403 HydrophobicContact CD1-CG2 3.71Å; L308-M404 HydrophobicContact CD1-CE 4.04Å; L308-M404 HydrophobicContact CD1-SD 4.39Å; L308-M404 HydrophobicContact CD2-CE 4.05Å; L308-M404 HydrophobicContact CD2-SD 4.49Å; L308-Y407 HydrophobicContact CB-CD1 3.97Å; L308-Y407 HydrophobicContact CB-CD2 3.96Å; L308-Y407 HydrophobicContact CB-CE1 4.09Å; L308-Y407 HydrophobicContact CB-CE2 4.1Å; L308-Y407 HydrophobicContact CB-CG 3.9Å; L308-Y407 HydrophobicContact CD1-CD2 3.62Å; L308-Y407 HydrophobicContact CD1-CE2 4.16Å; L308-Y407 HydrophobicContact CD1-CG 4.06Å; L308-Y407 HydrophobicContact CG-CD2 4.33Å; L308-Y407 HydrophobicContact CG-CG 4.4Å; L308-Y407 PolarHBondContact N-OH 3.48Å; L308-A410 HydrophobicContact CD2-CB 3.36Å
309L79.4Confident77.8Confident33 Ų3367.8 Ų67.817%0.17333%0.328CS..Hα-helixtrans-60.2-43.9176.8-17566.2000110.9L295 F301 E305 K306 G307 M313L295-L309 HydrophobicContact CD1-CD1 4.46Å; F301-L309 HydrophobicContact CB-CD1 4.11Å; F301-L309 HydrophobicContact CD1-CD1 4.13Å; F301-L309 HydrophobicContact CD2-CD1 4.08Å; F301-L309 HydrophobicContact CG-CD1 3.85Å; E305-L309 PolarHBondContact O-N 3.38Å; K306-L309 PolarHBondContact O-N 2.86Å; G307-L309 VanDerWaalsContact C-N 3.3Å; G307-L309 PolarHBondContact O-N 3.42Å; L309-M313 WeakPolarHBondContact O-CB 3.13Å; L309-M313 WeakPolarHBondContact O-CG 3.33Å; L309-M313 PolarHBondContact O-N 3.21Å
310R79.3Confident78.8Confident103 Ų10362.5 Ų62.539%0.38930%0.304SS..Hα-helixtrans-62.3-44.9178.6-70.9-177.8160-166-10.6112.4V284 D285 I288 K306 G307 L308 M313 L314V284-R310 HydrophobicContact CG1-CB 3.59Å; V284-R310 HydrophobicContact CG1-CG 3.37Å; D285-R310 IonicContact OD1-CZ 3.54Å; D285-R310 IonicContact OD1-NH2 3.17Å; D285-R310 PolarHBondContact OD1-NH2 3.47Å; I288-R310 HydrophobicContact CD1-CG 3.76Å; K306-R310 VanDerWaalsContact O-CG 3.25Å; K306-R310 WeakPolarHBondContact O-CG 3.3Å; K306-R310 PolarHBondContact O-N 3.24Å; K306-R310 VanDerWaalsContact O-N 3.14Å; G307-R310 WeakPolarHBondContact O-CB 3.48Å; G307-R310 PolarHBondContact O-N 3.5Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 2.94Å; R310-M313 WeakPolarHBondContact O-CB 3.46Å; R310-M313 PolarHBondContact O-N 3.33Å; R310-L314 PolarHBondContact O-N 3.42Å
311D82.4Confident80Confident55 Ų5563.1 Ų63.129%0.29431%0.305SS..Hα-helixtrans-69.8-37.3-178.1-64.9-23.8000112.1G307 L308 M313 T403 Y407G307-D311 PolarHBondContact O-N 3.02Å; L308-D311 PolarHBondContact O-N 3.02Å; D311-M313 VanDerWaalsContact C-N 3.33Å; D311-T403 HydrophobicContact CB-CG2 3.57Å; D311-Y407 VanDerWaalsContact OD2-CE2 3.26Å; D311-Y407 WeakPolarHBondContact OD2-CE2 3.14Å; D311-Y407 PolarHBondContact OD2-OH 3.02Å
312L81.6Confident81.1Confident1 Ų162.9 Ų62.91%0.00531%0.305CS..Hα-helixtrans-67.2-34.9173.3-70.9178.7000111.9F301 L308 L314 K315 L316 L395 T403 M404F301-L312 HydrophobicContact CD1-CD1 4.39Å; F301-L312 HydrophobicContact CE1-CD1 3.45Å; F301-L312 VanDerWaalsContact CE1-CD1 3.45Å; F301-L312 HydrophobicContact CZ-CD1 4.11Å; L308-L312 HydrophobicContact CD1-CD1 3.81Å; L308-L312 HydrophobicContact CD1-CG 3.93Å; L308-L312 HydrophobicContact CG-CD1 4.02Å; L308-L312 HydrophobicContact CG-CG 4.47Å; L308-L312 WeakPolarHBondContact O-CB 3.48Å; L308-L312 VanDerWaalsContact O-CG 3.31Å; L308-L312 WeakPolarHBondContact O-CG 3.41Å; L308-L312 PolarHBondContact O-N 3.17Å; L312-L314 PolarHBondContact O-N 2.95Å; L312-K315 PolarHBondContact O-N 3.05Å; L312-K315 VanDerWaalsContact O-N 3.08Å; L312-L316 WeakPolarHBondContact O-CG 3.3Å; L312-L316 PolarHBondContact O-N 3.34Å; L312-L395 HydrophobicContact CD2-CD1 4.31Å; L312-L395 HydrophobicContact CD2-CD2 3.7Å; L312-T403 HydrophobicContact CD2-CG2 3.88Å; L312-T403 HydrophobicContact CG-CG2 4.06Å; L312-M404 HydrophobicContact CD1-CE 4.46Å
313M77.9Confident82.2Confident11 Ų1158 Ų585%0.05429%0.294CS..Hα-helixtrans-60.5-42.4179.3-75.9-77.882.600113.7A287 I288 L295 L309 R310 D311 K315 L316A287-M313 HydrophobicContact CB-CB 4.43Å; A287-M313 HydrophobicContact CB-SD 4.41Å; I288-M313 HydrophobicContact CG1-CG 3.88Å; I288-M313 HydrophobicContact CG1-SD 4.34Å; L295-M313 HydrophobicContact CD1-CE 3.62Å; L295-M313 HydrophobicContact CD1-CG 4.49Å; L295-M313 HydrophobicContact CD1-SD 3.26Å; L295-M313 WeakPolarHBondContact CD1-SD 3.27Å; L295-M313 HydrophobicContact CD2-CE 3.83Å; L295-M313 HydrophobicContact CG-CE 4.35Å; L309-M313 WeakPolarHBondContact O-CB 3.13Å; L309-M313 WeakPolarHBondContact O-CG 3.33Å; L309-M313 PolarHBondContact O-N 3.21Å; R310-M313 WeakPolarHBondContact O-CB 3.46Å; R310-M313 PolarHBondContact O-N 3.33Å; D311-M313 VanDerWaalsContact C-N 3.33Å; M313-K315 PolarHBondContact O-N 3.26Å; M313-L316 HydrophobicContact CE-CB 4.29Å; M313-L316 HydrophobicContact CE-CD1 3.05Å; M313-L316 HydrophobicContact CE-CG 3.73Å; M313-L316 PolarHBondContact O-N 3.12Å
314L78.4Confident83.2Confident78 Ų7854 Ų5441%0.40828%0.282SS..Hα-helixtrans-63.9-22.5177.3-69.7173.4000113V280 Q283 V284 R310 L312V280-L314 HydrophobicContact CG1-CD1 3.74Å; V280-L314 HydrophobicContact CG1-CD2 4.38Å; Q283-L314 HydrophobicContact CB-CD2 4.29Å; V284-L314 HydrophobicContact CG2-CD1 3.71Å; V284-L314 HydrophobicContact CG2-CD2 3.58Å; V284-L314 HydrophobicContact CG2-CG 3.57Å; R310-L314 PolarHBondContact O-N 3.42Å; L312-L314 PolarHBondContact O-N 2.95Å
315K84.1Confident84.2Confident64 Ų6454.5 Ų54.528%0.27828%0.283SS..Hα-helixtrans-100.6-10.4-177.1-58.5-173.8-171.21760113.4L312 M313 L395 D399 T403L312-K315 PolarHBondContact O-N 3.05Å; L312-K315 VanDerWaalsContact O-N 3.08Å; M313-K315 PolarHBondContact O-N 3.26Å; K315-L395 HydrophobicContact CB-CD1 3.89Å; K315-D399 HydrophobicContact CB-CB 4.06Å; K315-D399 HydrophobicContact CD-CB 3.67Å; K315-D399 HydrophobicContact CG-CB 4.4Å; K315-T403 PolarHBondContact NZ-OG1 3.28Å
316L83.9Confident84.9Confident23 Ų2353 Ų5312%0.1227%0.273CS..  trans-71.5130.1175.7-72.1-164.7000111.1L312 M313 I339 F393 L395L312-L316 WeakPolarHBondContact O-CG 3.3Å; L312-L316 PolarHBondContact O-N 3.34Å; M313-L316 HydrophobicContact CE-CB 4.29Å; M313-L316 HydrophobicContact CE-CD1 3.05Å; M313-L316 HydrophobicContact CE-CG 3.73Å; M313-L316 PolarHBondContact O-N 3.12Å; L316-I339 HydrophobicContact CD1-CD1 4.07Å; L316-I339 HydrophobicContact CD2-CD1 4.44Å; L316-F393 HydrophobicContact CB-CB 4.26Å; L316-F393 HydrophobicContact CB-CD1 4.2Å; L316-F393 HydrophobicContact CB-CG 4.45Å; L316-F393 HydrophobicContact CD1-CB 3.63Å; L316-F393 HydrophobicContact CD1-CD1 4.3Å; L316-F393 HydrophobicContact CD1-CD2 4.26Å; L316-F393 HydrophobicContact CD1-CG 3.81Å; L316-F393 HydrophobicContact CD2-CB 4.25Å; L316-F393 HydrophobicContact CG-CB 4.27Å; L316-L395 HydrophobicContact CD2-CB 3.59Å; L316-L395 HydrophobicContact CD2-CD1 4.01Å; L316-L395 HydrophobicContact CD2-CD2 4.45Å; L316-L395 HydrophobicContact CD2-CG 4.21Å
317K84.1Confident85.6Confident139 Ų13945 Ų4560%0.60424%0.239SC*.EExtended strand (participates in β ladder)trans-105.3128.9173.1-64.7177.6-176.4172.60109.6F393 V394K317-F393 CarbonylContact O-C 3.57Å; K317-F393 WeakPolarHBondContact O-CA 3.26Å; K317-V394 HydrophobicContact CB-CB 4.46Å; K317-V394 PolarHBondContact N-O 2.82Å; K317-V394 PolarHBondContact O-N 3.28Å
318S84.8Confident86.2Confident52 Ų5244 Ų4436%0.36423%0.227SC..EExtended strand (participates in β ladder)trans-81.8125.9174.1-176.80000110.1T391S318-T391 WeakPolarHBondContact OG-CG2 3.36Å
319V88.1Confident86.6Confident51 Ų5150.4 Ų50.431%0.30925%0.251SS..EExtended strand (participates in β ladder)trans-128.5138.7178.4-179.70000109.9Y321 L392 V394V319-Y321 HydrophobicContact CB-CE2 4.13Å; V319-Y321 HydrophobicContact CG1-CD2 4.21Å; V319-Y321 HydrophobicContact CG1-CE2 3.6Å; V319-L392 PolarHBondContact N-O 3.35Å; V319-L392 PolarHBondContact O-N 3.27Å; V319-V394 HydrophobicContact CB-CG2 3.86Å; V319-V394 HydrophobicContact CG2-CB 4.46Å; V319-V394 HydrophobicContact CG2-CG2 3.47Å; V319-V394 VanDerWaalsContact CG2-CG2 3.47Å
320I90.1Very high87Confident16 Ų1652.5 Ų52.58%0.08226%0.259CS..EExtended strand (participates in β ladder)trans-105131.9179.6-65.4168.1000109.2Y261 A262 L269 S390Y261-I320 HydrophobicContact CD1-CD1 4.1Å; Y261-I320 HydrophobicContact CD1-CG1 4.49Å; Y261-I320 HydrophobicContact CD1-CG2 3.56Å; Y261-I320 HydrophobicContact CE1-CD1 4.25Å; Y261-I320 HydrophobicContact CE1-CG1 4.31Å; Y261-I320 HydrophobicContact CE1-CG2 3.78Å; A262-I320 HydrophobicContact CB-CD1 3.75Å; L269-I320 HydrophobicContact CD1-CD1 4.04Å; I320-S390 WeakPolarHBondContact CA-O 3.35Å
321Y92.3Very high87.4Confident34 Ų3452.1 Ų52.113%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-115.4141173.6-68.4-89.6000110.9V319 D325 I327 S390 L392V319-Y321 HydrophobicContact CB-CE2 4.13Å; V319-Y321 HydrophobicContact CG1-CD2 4.21Å; V319-Y321 HydrophobicContact CG1-CE2 3.6Å; Y321-D325 HydrophobicContact CD1-CB 4.16Å; Y321-I327 HydrophobicContact CD1-CG1 3.57Å; Y321-I327 HydrophobicContact CD2-CG1 3.95Å; Y321-I327 HydrophobicContact CE1-CB 4.15Å; Y321-I327 HydrophobicContact CE1-CG1 3.66Å; Y321-I327 HydrophobicContact CE1-CG2 4.24Å; Y321-I327 HydrophobicContact CE2-CG1 4.05Å; Y321-I327 HydrophobicContact CE2-CG2 4.26Å; Y321-I327 HydrophobicContact CG-CD1 4.43Å; Y321-I327 HydrophobicContact CG-CG1 3.7Å; Y321-S390 PolarHBondContact N-O 2.82Å; Y321-S390 PolarHBondContact O-N 3.11Å; Y321-L392 HydrophobicContact CD2-CD1 3.68Å; Y321-L392 HydrophobicContact CD2-CG 3.92Å; Y321-L392 HydrophobicContact CE2-CB 4.33Å; Y321-L392 HydrophobicContact CE2-CD1 3.6Å; Y321-L392 HydrophobicContact CE2-CG 4.09Å
322L92.6Very high87.6Confident11 Ų1153.6 Ų53.66%0.05827%0.27CS..  trans-86.1163.2178.1-60.1174.4000111.4K254 Q257 W258 G324 D325 S386 G388 F389K254-L322 HydrophobicContact CB-CD1 3.82Å; K254-L322 HydrophobicContact CG-CD1 4.22Å; K254-L322 WeakPolarHBondContact O-CD1 3.49Å; Q257-L322 HydrophobicContact CB-CD2 4.38Å; W258-L322 HydrophobicContact CB-CD1 4.24Å; W258-L322 HydrophobicContact CB-CD2 4.02Å; W258-L322 HydrophobicContact CB-CG 4.41Å; L322-G324 PolarHBondContact O-N 2.91Å; L322-D325 VanDerWaalsContact CB-OD2 3.26Å; L322-D325 WeakPolarHBondContact CB-OD2 3.3Å; L322-D325 PolarHBondContact N-OD2 3.12Å; L322-D325 WeakPolarHBondContact O-CB 3.26Å; L322-D325 PolarHBondContact O-N 2.89Å; L322-D325 VanDerWaalsContact O-N 3.12Å; L322-S386 WeakPolarHBondContact O-CB 3.4Å; L322-G388 CarbonylContact C-O 2.99Å; L322-F389 HydrophobicContact CD2-CD1 3.84Å; L322-F389 HydrophobicContact CD2-CE1 3.39Å; L322-F389 HydrophobicContact CD2-CZ 4.36Å
323P91.9Very high87.8Confident56 Ų5659 Ų5936%0.36430%0.297SS..THydrogen-bonded Turntrans-56.3127.4172.2-19.729.4000111.7D325 F389P323-D325 VanDerWaalsContact C-N 3.34Å; P323-F389 HydrophobicContact CG-CD2 4.09Å; P323-F389 HydrophobicContact CG-CE2 4.02Å; P323-F389 HydrophobicContact CG-CZ 4.43Å
324G89.7Confident88Confident43 Ų4358.5 Ų58.544%0.44330%0.296SS..THydrogen-bonded Turntrans86.4-4.9-179.300000115.1L322 Y326 S386L322-G324 PolarHBondContact O-N 2.91Å; G324-Y326 PolarHBondContact O-N 2.85Å; G324-S386 PolarHBondContact N-O 2.66Å
325D92.6Very high88.4Confident41 Ų4160.2 Ų60.222%0.21930%0.304CS..  trans-69.3132.6175.8-74-12000110.8Y321 L322 P323 L385 S386Y321-D325 HydrophobicContact CD1-CB 4.16Å; L322-D325 VanDerWaalsContact CB-OD2 3.26Å; L322-D325 WeakPolarHBondContact CB-OD2 3.3Å; L322-D325 PolarHBondContact N-OD2 3.12Å; L322-D325 WeakPolarHBondContact O-CB 3.26Å; L322-D325 PolarHBondContact O-N 2.89Å; L322-D325 VanDerWaalsContact O-N 3.12Å; P323-D325 VanDerWaalsContact C-N 3.34Å; D325-L385 CarbonylContact O-C 3.54Å; D325-L385 VanDerWaalsContact O-CA 3.23Å; D325-L385 WeakPolarHBondContact O-CA 3.5Å; D325-L385 WeakPolarHBondContact O-CB 3.33Å; D325-S386 PolarHBondContact O-N 3.11Å
326Y92.3Very high88.6Confident95 Ų9560.2 Ų60.237%0.37331%0.305SS..EExtended strand (participates in β ladder)trans-79.5123168.1-74.3-94.1000109.1G324 R329 D383 L385G324-Y326 PolarHBondContact O-N 2.85Å; Y326-R329 HydrophobicContact CD1-CG 4.15Å; Y326-R329 HydrophobicContact CG-CG 4.46Å; Y326-D383 HydrophobicContact CD1-CB 4.44Å; Y326-D383 HydrophobicContact CE1-CB 4.24Å; Y326-L385 HydrophobicContact CD1-CB 4.31Å
327I92.5Very high88.8Confident14 Ų1459.3 Ų59.37%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-84.4-39.9175.7-63.8146000110.2Y321 Y338 L345 F366 V384 L392Y321-I327 HydrophobicContact CD1-CG1 3.57Å; Y321-I327 HydrophobicContact CD2-CG1 3.95Å; Y321-I327 HydrophobicContact CE1-CB 4.15Å; Y321-I327 HydrophobicContact CE1-CG1 3.66Å; Y321-I327 HydrophobicContact CE1-CG2 4.24Å; Y321-I327 HydrophobicContact CE2-CG1 4.05Å; Y321-I327 HydrophobicContact CE2-CG2 4.26Å; Y321-I327 HydrophobicContact CG-CD1 4.43Å; Y321-I327 HydrophobicContact CG-CG1 3.7Å; I327-Y338 HydrophobicContact CG2-CD1 4.29Å; I327-Y338 HydrophobicContact CG2-CD2 4.13Å; I327-Y338 HydrophobicContact CG2-CE1 4.23Å; I327-Y338 HydrophobicContact CG2-CE2 4Å; I327-Y338 HydrophobicContact CG2-CG 4.28Å; I327-L345 HydrophobicContact CD1-CD1 3.75Å; I327-L345 HydrophobicContact CD1-CD2 3.39Å; I327-L345 HydrophobicContact CD1-CG 4.14Å; I327-F366 HydrophobicContact CD1-CZ 4.45Å; I327-F366 HydrophobicContact CG2-CE2 3.99Å; I327-F366 HydrophobicContact CG2-CZ 3.8Å; I327-V384 HydrophobicContact CD1-CG1 4.05Å; I327-V384 PolarHBondContact N-O 3.4Å; I327-L392 HydrophobicContact CD1-CD1 3.68Å; I327-L392 HydrophobicContact CG1-CD1 3.99Å; I327-L392 HydrophobicContact CG2-CD1 3.95Å
328C90.3Very high89.1Confident5 Ų553.3 Ų53.33%0.03427%0.274CS..EExtended strand (participates in β ladder)trans-150.6150.2169.565.60000110R380 D383 V384C328-R380 HydrophobicContact CB-CG 3.93Å; C328-D383 WeakPolarHBondContact O-CA 3.2Å; C328-V384 PolarHBondContact N-O 3.44Å; C328-V384 PolarHBondContact O-N 3.01Å; C328-V384 VanDerWaalsContact SG-CG2 3.57Å
329R90.5Very high89.3Confident133 Ų13350.9 Ų50.950%0.50226%0.257SS..  trans-107.9148171.8-53.9178.2169.1177.8-2.8110.8Y326 E332 R380 D383Y326-R329 HydrophobicContact CD1-CG 4.15Å; Y326-R329 HydrophobicContact CG-CG 4.46Å; R329-E332 VanDerWaalsContact CB-CD 3.47Å; R329-E332 HydrophobicContact CB-CG 3.93Å; R329-E332 WeakPolarHBondContact CB-OE1 3.39Å; R329-E332 WeakPolarHBondContact CD-OE1 3.28Å; R329-E332 WeakPolarHBondContact CG-OE1 3.39Å; R329-E332 PolarHBondContact N-OE2 2.79Å; R329-E332 VanDerWaalsContact O-CB 3.24Å; R329-E332 WeakPolarHBondContact O-CB 3.28Å; R329-E332 WeakPolarHBondContact O-CG 3.27Å; R329-E332 PolarHBondContact O-N 3.37Å; R329-E332 VanDerWaalsContact O-N 3.1Å; R329-R380 WeakPolarHBondContact O-CB 3.18Å; R329-D383 WeakPolarHBondContact CA-OD1 3.41Å
330K88Confident89.4Confident78 Ų7848.4 Ų48.434%0.33924%0.242SC..THydrogen-bonded Turntrans-51.4141173.7-177.8175.9-178.9176.50109.9E332 A349 G350 D383K330-E332 PolarHBondContact O-N 2.83Å; K330-A349 VanDerWaalsContact CD-O 3.23Å; K330-A349 WeakPolarHBondContact CD-O 3.23Å; K330-A349 WeakPolarHBondContact CE-O 3.47Å; K330-A349 PolarHBondContact NZ-O 3.24Å; K330-G350 WeakPolarHBondContact CD-O 3.29Å; K330-G350 PolarHBondContact NZ-O 2.89Å; K330-D383 WeakPolarHBondContact CB-OD1 3.47Å; K330-D383 PolarHBondContact N-OD1 2.78Å
331N86.4Confident89.3Confident95 Ų9548.4 Ų48.451%0.50824%0.242SC..THydrogen-bonded Turntrans67.7-1.9-177-54.1-40.5000116R379 R380N331-R379 WeakPolarHBondContact O-CD 3.42Å; N331-R379 PolarHBondContact O-NH1 3.38Å; N331-R380 PolarHBondContact N-O 3.3Å
332E87.4Confident89.1Confident86 Ų8651.4 Ų51.440%0.40226%0.256SS..SBendtrans-67.6156.4170-70.2178.416700111.3R329 K330 S334 R379 R380R329-E332 VanDerWaalsContact CB-CD 3.47Å; R329-E332 HydrophobicContact CB-CG 3.93Å; R329-E332 WeakPolarHBondContact CB-OE1 3.39Å; R329-E332 WeakPolarHBondContact CD-OE1 3.28Å; R329-E332 WeakPolarHBondContact CG-OE1 3.39Å; R329-E332 PolarHBondContact N-OE2 2.79Å; R329-E332 VanDerWaalsContact O-CB 3.24Å; R329-E332 WeakPolarHBondContact O-CB 3.28Å; R329-E332 WeakPolarHBondContact O-CG 3.27Å; R329-E332 PolarHBondContact O-N 3.37Å; R329-E332 VanDerWaalsContact O-N 3.1Å; K330-E332 PolarHBondContact O-N 2.83Å; E332-S334 PolarHBondContact O-N 3.22Å; E332-R379 CarbonylContact O-C 3.58Å; E332-R379 WeakPolarHBondContact O-CA 3.23Å; E332-R380 HydrophobicContact CB-CG 4.08Å; E332-R380 WeakPolarHBondContact O-CG 3.24Å; E332-R380 PolarHBondContact O-N 3.47Å
333I85.6Confident89Confident113 Ų11352.2 Ų52.258%0.57927%0.267SS*.BIsolated β-bridgetrans-70.1129.2178.7-60.7171.4000109.2L335 N378I333-L335 HydrophobicContact CG2-CD2 3.85Å; I333-L335 HydrophobicContact CG2-CG 4.15Å; I333-L335 PolarHBondContact O-N 2.94Å; I333-N378 CarbonylContact C-O 3.47Å; I333-N378 WeakPolarHBondContact CA-O 3.4Å
334S82.9Confident89.2Confident2 Ų252.2 Ų52.21%0.01427%0.266CS..  trans-83.8102.6177.3-62.10000110.4E332 N378 R380E332-S334 PolarHBondContact O-N 3.22Å; S334-N378 PolarHBondContact N-O 2.78Å; S334-R380 VanDerWaalsContact OG-CD 3.31Å; S334-R380 WeakPolarHBondContact OG-CD 3.44Å; S334-R380 PolarHBondContact OG-N 2.88Å
335L85.9Confident89.5Confident113 Ų11350.2 Ų50.259%0.59225%0.245SC*.  trans-101.8-18176.9-62.6179.1000113.2I333 K397I333-L335 HydrophobicContact CG2-CD2 3.85Å; I333-L335 HydrophobicContact CG2-CG 4.15Å; I333-L335 PolarHBondContact O-N 2.94Å; L335-K397 VanDerWaalsContact O-CB 3.23Å; L335-K397 WeakPolarHBondContact O-CB 3.16Å; L335-K397 PolarHBondContact O-N 3Å
336E89Confident89.6Confident65 Ų6549.9 Ų49.930%0.30424%0.244SC..EExtended strand (participates in β ladder)trans-146148.6-168.2-56.4177.2153.400110.3Y338 R380 V394 L395E336-Y338 HydrophobicContact CB-CE2 4.45Å; E336-Y338 PolarHBondContact OE2-OH 2.84Å; E336-R380 VanDerWaalsContact O-CZ 3.26Å; E336-R380 PolarHBondContact O-NH1 2.68Å; E336-R380 PolarHBondContact O-NH2 2.84Å; E336-V394 HydrophobicContact CB-CG1 3.78Å; E336-V394 HydrophobicContact CG-CG1 3.95Å; E336-V394 WeakPolarHBondContact OE2-CG1 3.29Å; E336-L395 CarbonylContact C-O 3.58Å; E336-L395 VanDerWaalsContact CA-O 3.24Å; E336-L395 WeakPolarHBondContact CA-O 3.39Å
337M87.7Confident89.6Confident3 Ų346.1 Ų46.12%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-103.3153.9165.461.2171.3-71.400110L300 I339 V365 L371 L395 F400L300-M337 HydrophobicContact CD2-CE 3.76Å; L300-M337 HydrophobicContact CD2-SD 4.44Å; M337-I339 HydrophobicContact CE-CD1 4.27Å; M337-I339 HydrophobicContact CE-CG1 4.08Å; M337-V365 HydrophobicContact CE-CG1 3.56Å; M337-L371 HydrophobicContact CB-CD1 3.92Å; M337-L371 HydrophobicContact CG-CD1 4.01Å; M337-L395 HydrophobicContact CG-CB 3.73Å; M337-L395 HydrophobicContact CG-CD2 4.29Å; M337-L395 HydrophobicContact CG-CG 4.46Å; M337-L395 PolarHBondContact N-O 2.84Å; M337-L395 PolarHBondContact O-N 3.02Å; M337-L395 HydrophobicContact SD-CB 4.35Å; M337-L395 HydrophobicContact SD-CD2 3.88Å; M337-F400 HydrophobicContact SD-CD2 3.98Å; M337-F400 HydrophobicContact SD-CE2 4.19Å
338Y90.5Very high89.6Confident13 Ų1346.2 Ų46.25%0.05123%0.231CC..EExtended strand (participates in β ladder)trans-124.5139.1-176.1-60.4-79.5000110.8I327 E336 V365 F366 L392 F393 V394I327-Y338 HydrophobicContact CG2-CD1 4.29Å; I327-Y338 HydrophobicContact CG2-CD2 4.13Å; I327-Y338 HydrophobicContact CG2-CE1 4.23Å; I327-Y338 HydrophobicContact CG2-CE2 4Å; I327-Y338 HydrophobicContact CG2-CG 4.28Å; E336-Y338 HydrophobicContact CB-CE2 4.45Å; E336-Y338 PolarHBondContact OE2-OH 2.84Å; Y338-V365 WeakPolarHBondContact O-CA 3.22Å; Y338-F366 HydrophobicContact CD2-CD2 4.08Å; Y338-F366 AromaticContact CD2-CE2 3.41Å; Y338-F366 HydrophobicContact CD2-CE2 3.41Å; Y338-F366 VanDerWaalsContact CD2-CE2 3.41Å; Y338-F366 AromaticContact CD2-CZ 3.71Å; Y338-F366 HydrophobicContact CD2-CZ 3.71Å; Y338-F366 HydrophobicContact CE2-CE2 4.31Å; Y338-F366 HydrophobicContact CG-CE1 4.21Å; Y338-F366 AromaticContact CG-CE2 3.87Å; Y338-F366 HydrophobicContact CG-CE2 3.87Å; Y338-F366 AromaticContact CG-CZ 3.64Å; Y338-F366 HydrophobicContact CG-CZ 3.64Å; Y338-F366 PolarHBondContact N-O 3.44Å; Y338-F366 PolarHBondContact O-N 2.81Å; Y338-L392 HydrophobicContact CD1-CD1 4.27Å; Y338-F393 CarbonylContact C-O 3.55Å; Y338-F393 VanDerWaalsContact CA-O 3.28Å; Y338-F393 WeakPolarHBondContact CA-O 3.48Å; Y338-V394 HydrophobicContact CD1-CB 4.32Å; Y338-V394 HydrophobicContact CD1-CG1 4.25Å; Y338-V394 HydrophobicContact CD1-CG2 3.73Å; Y338-V394 HydrophobicContact CE1-CB 4.16Å; Y338-V394 HydrophobicContact CE1-CG1 3.72Å; Y338-V394 HydrophobicContact CE1-CG2 3.57Å
339I88.5Confident89.3Confident1 Ų147.4 Ų47.41%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-118.7124.9172.5-57.7158.9000107.4T294 V298 F301 L316 M337 N341 V365 L392 F393T294-I339 HydrophobicContact CG2-CG2 4.35Å; V298-I339 HydrophobicContact CG2-CG2 3.53Å; F301-I339 HydrophobicContact CE2-CD1 3.65Å; F301-I339 HydrophobicContact CZ-CD1 3.93Å; L316-I339 HydrophobicContact CD1-CD1 4.07Å; L316-I339 HydrophobicContact CD2-CD1 4.44Å; M337-I339 HydrophobicContact CE-CD1 4.27Å; M337-I339 HydrophobicContact CE-CG1 4.08Å; I339-N341 PolarHBondContact O-N 3.46Å; I339-V365 HydrophobicContact CG1-CG1 4.4Å; I339-V365 HydrophobicContact CG1-CG2 4.05Å; I339-V365 HydrophobicContact CG2-CG2 4.48Å; I339-L392 CarbonylContact O-C 3.57Å; I339-L392 WeakPolarHBondContact O-CA 3.42Å; I339-F393 HydrophobicContact CB-CB 4.25Å; I339-F393 PolarHBondContact N-O 3.27Å; I339-F393 PolarHBondContact O-N 2.87Å
340V90.9Very high88.7Confident0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-74.6111.6179.8-173.70000109.3T294 L345 L360 G361 A362 G363 S364 F366 L392T294-V340 VanDerWaalsContact CG2-O 3.29Å; T294-V340 WeakPolarHBondContact CG2-O 3.48Å; V340-L345 HydrophobicContact CG2-CD1 3.59Å; V340-L345 HydrophobicContact CG2-CG 4.17Å; V340-L360 HydrophobicContact CG2-CB 4.35Å; V340-G361 VanDerWaalsContact CB-O 3.27Å; V340-G361 WeakPolarHBondContact CB-O 3.35Å; V340-G361 WeakPolarHBondContact CG1-O 3.4Å; V340-A362 WeakPolarHBondContact O-CA 3.48Å; V340-G363 PolarHBondContact O-N 3Å; V340-S364 PolarHBondContact N-O 2.84Å; V340-F366 HydrophobicContact CG2-CD1 4.3Å; V340-F366 HydrophobicContact CG2-CE1 4.07Å; V340-L392 HydrophobicContact CB-CD2 4.05Å; V340-L392 HydrophobicContact CG1-CD2 4.02Å; V340-L392 HydrophobicContact CG2-CD2 3.92Å
341N86.9Confident88.1Confident15 Ų1540.6 Ų40.68%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-83.1-53.4174.3-168.221.1000111.1T294 I339 A362 T391 F393T294-N341 WeakPolarHBondContact CB-OD1 3.29Å; T294-N341 HydrophobicContact CG2-CB 4.46Å; T294-N341 PolarHBondContact OG1-OD1 3Å; I339-N341 PolarHBondContact O-N 3.46Å; N341-A362 VanDerWaalsContact O-CB 3.3Å; N341-A362 WeakPolarHBondContact O-CB 3.24Å; N341-T391 WeakPolarHBondContact CA-O 3.31Å; N341-T391 HydrophobicContact CB-CG2 4.46Å; N341-T391 VanDerWaalsContact CB-O 3.24Å; N341-T391 WeakPolarHBondContact CB-O 3.4Å; N341-T391 PolarHBondContact N-O 3.38Å; N341-F393 HydrophobicContact CB-CD2 3.96Å; N341-F393 HydrophobicContact CB-CE2 3.56Å; N341-F393 HydrophobicContact CB-CZ 4.15Å; N341-F393 WeakPolarHBondContact ND2-CZ 3.48Å
342K88.7Confident87.3Confident97 Ų9745.8 Ų45.842%0.42226%0.256SS..EExtended strand (participates in β ladder)trans-142.1152.9178.7-66.8-178.3-175.2170.30110.1E265 S390 T391E265-K342 IonicContact OE1-NZ 3.34Å; E265-K342 PolarHBondContact OE1-NZ 3.25Å; K342-S390 CarbonylContact O-C 3.57Å; K342-S390 VanDerWaalsContact O-CA 3.27Å; K342-S390 WeakPolarHBondContact O-CA 3.38Å; K342-S390 WeakPolarHBondContact O-CB 3.44Å; K342-T391 PolarHBondContact N-O 3Å; K342-T391 PolarHBondContact O-N 2.91Å
343G91.6Very high86.1Confident29 Ų2952.5 Ų52.530%0.29928%0.277SS..SBendtrans99.8-167.6178.200000113.2
344T95.1Very high85.5Confident56 Ų5651.2 Ų51.234%0.34427%0.272SS..  trans-140.6126.2-174.8-55.40000109.1V359 L360 K387 S390T344-V359 HydrophobicContact CG2-CG1 3.31Å; T344-L360 WeakPolarHBondContact CA-O 3.47Å; T344-K387 WeakPolarHBondContact O-CB 3.37Å; T344-K387 PolarHBondContact O-N 3.39Å; T344-S390 PolarHBondContact N-OG 3Å
345L95.9Very high85.7Confident0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-109.5148.3178.8-48-178.3000110.4I327 V340 V359 L360 F366 V384 L385 L392I327-L345 HydrophobicContact CD1-CD1 3.75Å; I327-L345 HydrophobicContact CD1-CD2 3.39Å; I327-L345 HydrophobicContact CD1-CG 4.14Å; V340-L345 HydrophobicContact CG2-CD1 3.59Å; V340-L345 HydrophobicContact CG2-CG 4.17Å; L345-V359 CarbonylContact O-C 3.44Å; L345-V359 WeakPolarHBondContact O-CA 3.48Å; L345-L360 HydrophobicContact CB-CB 4.18Å; L345-L360 PolarHBondContact N-O 3.09Å; L345-L360 PolarHBondContact O-N 3.08Å; L345-F366 HydrophobicContact CD1-CD1 4.15Å; L345-F366 HydrophobicContact CD1-CE1 3.29Å; L345-F366 HydrophobicContact CD1-CZ 3.67Å; L345-V384 HydrophobicContact CB-CG1 3.97Å; L345-V384 HydrophobicContact CD1-CG1 3.91Å; L345-L385 WeakPolarHBondContact CA-O 3.32Å; L345-L392 HydrophobicContact CD1-CD1 4.17Å; L345-L392 HydrophobicContact CD1-CD2 3.92Å; L345-L392 HydrophobicContact CD2-CD2 4.43Å
346L94.4Very high85.8Confident35 Ų3556 Ų5618%0.18329%0.293CS..EExtended strand (participates in β ladder)trans-109.9125.8174.6-55.3176.6000108.1L356 V359 V384 L385 K387L346-L356 HydrophobicContact CB-CD1 3.87Å; L346-L356 HydrophobicContact CD2-CD1 3.87Å; L346-L356 HydrophobicContact CG-CD1 4.36Å; L346-V359 HydrophobicContact CD2-CG1 4.28Å; L346-V359 HydrophobicContact CD2-CG2 3.87Å; L346-V384 WeakPolarHBondContact O-CA 3.4Å; L346-L385 HydrophobicContact CB-CD2 4.05Å; L346-L385 HydrophobicContact CB-CG 4.16Å; L346-L385 HydrophobicContact CD1-CD1 4.49Å; L346-L385 PolarHBondContact N-O 3.44Å; L346-L385 PolarHBondContact O-N 3.34Å; L346-K387 HydrophobicContact CD1-CB 4.21Å; L346-K387 HydrophobicContact CD1-CG 4.37Å; L346-K387 HydrophobicContact CD2-CD 4.35Å; L346-K387 HydrophobicContact CG-CB 4.12Å
347V93Very high85.8Confident16 Ų1657.7 Ų57.710%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-97.8117.3173.8-174.60000107.6L357 S358 L360 A382 D383 V384V347-L357 HydrophobicContact CG1-CB 4.4Å; V347-L357 WeakPolarHBondContact O-CB 3.25Å; V347-L357 PolarHBondContact O-N 3.06Å; V347-S358 WeakPolarHBondContact CB-OG 3.08Å; V347-S358 WeakPolarHBondContact CG2-OG 3.44Å; V347-S358 PolarHBondContact N-O 2.65Å; V347-S358 PolarHBondContact O-N 2.94Å; V347-L360 HydrophobicContact CG2-CD1 3.58Å; V347-L360 HydrophobicContact CG2-CD2 4.34Å; V347-L360 HydrophobicContact CG2-CG 3.68Å; V347-A382 HydrophobicContact CG1-CB 3.53Å; V347-D383 CarbonylContact C-O 3.6Å; V347-D383 WeakPolarHBondContact CA-O 3.18Å; V347-V384 HydrophobicContact CG1-CG2 4.48Å; V347-V384 HydrophobicContact CG2-CG2 4.27Å
348L92.1Very high86Confident15 Ų1560 Ų608%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-108.8147.3178.4-50.1-179.4000110.6G350 N354 E355 L356 A382 D383 L385L348-G350 PolarHBondContact O-N 3.47Å; L348-N354 HydrophobicContact CD1-CB 4.18Å; L348-E355 VanDerWaalsContact CA-O 3.29Å; L348-E355 WeakPolarHBondContact CA-O 3.47Å; L348-L356 HydrophobicContact CD2-CB 4.27Å; L348-L356 HydrophobicContact CD2-CD1 3.96Å; L348-A382 VanDerWaalsContact O-CB 3.32Å; L348-A382 WeakPolarHBondContact O-CB 3.38Å; L348-D383 HydrophobicContact CB-CB 4.21Å; L348-D383 PolarHBondContact N-O 3.44Å; L348-D383 PolarHBondContact O-N 3.12Å; L348-L385 HydrophobicContact CD1-CD2 3.32Å; L348-L385 HydrophobicContact CD2-CD2 4.35Å; L348-L385 HydrophobicContact CG-CD2 3.56Å
349A85.4Confident86.1Confident30 Ų3063.3 Ų63.325%0.24834%0.341CS..  trans-61.6-15.1-177.300000115.1K330 E355 L357K330-A349 VanDerWaalsContact CD-O 3.23Å; K330-A349 WeakPolarHBondContact CD-O 3.23Å; K330-A349 WeakPolarHBondContact CE-O 3.47Å; K330-A349 PolarHBondContact NZ-O 3.24Å; A349-E355 HydrophobicContact CB-CB 4.47Å; A349-E355 PolarHBondContact N-O 3.37Å; A349-L357 VanDerWaalsContact CA-CD1 3.47Å; A349-L357 HydrophobicContact CB-CD1 3.84Å; A349-L357 HydrophobicContact CB-CD2 3.94Å; A349-L357 HydrophobicContact CB-CG 3.85Å
350G77.6Confident86.3Confident13 Ų1364.5 Ų64.513%0.13435%0.348CS..  trans66.3116.5-177.600000113.4K330 L348 D383K330-G350 WeakPolarHBondContact CD-O 3.29Å; K330-G350 PolarHBondContact NZ-O 2.89Å; L348-G350 PolarHBondContact O-N 3.47Å; G350-D383 VanDerWaalsContact CA-OD2 3.23Å; G350-D383 WeakPolarHBondContact CA-OD2 3.23Å
351G75.6Confident86.3Confident55 Ų5565.7 Ų65.757%0.56736%0.36SS*.SBendtrans139.8-165.3-175.300000111.9R353G351-R353 VanDerWaalsContact C-N 3.28Å; G351-R353 PolarHBondContact O-N 3.11Å
352E69.7Low86.4Confident204 Ų20467.2 Ų67.295%0.95338%0.375SS*.THydrogen-bonded Turntrans-63-29.2-176.4-66.6-175.3165.700114.2
353R61.4Low86.2Confident227 Ų22763.1 Ų63.186%0.85736%0.36SS*.THydrogen-bonded Turntrans-90.2-5-170.3-75.6-172.4178.4-173.6-0.5116.3G351 E355G351-R353 VanDerWaalsContact C-N 3.28Å; G351-R353 PolarHBondContact O-N 3.11Å; R353-E355 PolarHBondContact O-N 3.23Å
354N72.7Confident86.1Confident87 Ų8763.6 Ų63.647%0.46536%0.359SS..  trans34.143179.9-89.1-6.9000114.4L348 L356L348-N354 HydrophobicContact CD1-CB 4.18Å; N354-L356 PolarHBondContact O-N 3.2Å
355E87.5Confident85.6Confident123 Ų12362.4 Ų62.458%0.57535%0.352SS*.  trans-74.1129.3-175.1-172.9174.8-178.100109.2L348 A349 R353 L357L348-E355 VanDerWaalsContact CA-O 3.29Å; L348-E355 WeakPolarHBondContact CA-O 3.47Å; A349-E355 HydrophobicContact CB-CB 4.47Å; A349-E355 PolarHBondContact N-O 3.37Å; R353-E355 PolarHBondContact O-N 3.23Å; E355-L357 PolarHBondContact O-N 3Å
356L88.8Confident85.2Confident92 Ų9263.2 Ų63.248%0.48236%0.355SS..EExtended strand (participates in β ladder)trans-72.4109178.2-179.168.7000109.6L346 L348 N354 V359L346-L356 HydrophobicContact CB-CD1 3.87Å; L346-L356 HydrophobicContact CD2-CD1 3.87Å; L346-L356 HydrophobicContact CG-CD1 4.36Å; L348-L356 HydrophobicContact CD2-CB 4.27Å; L348-L356 HydrophobicContact CD2-CD1 3.96Å; N354-L356 PolarHBondContact O-N 3.2Å; L356-V359 HydrophobicContact CD1-CG2 4.28Å; L356-V359 HydrophobicContact CD2-CG2 4.1Å
357L88.4Confident84.6Confident101 Ų10162.3 Ų62.353%0.52935%0.354SS..EExtended strand (participates in β ladder)trans-82.7-45178.2-66.6-178.5000111.9V347 A349 E355 A382V347-L357 HydrophobicContact CG1-CB 4.4Å; V347-L357 WeakPolarHBondContact O-CB 3.25Å; V347-L357 PolarHBondContact O-N 3.06Å; A349-L357 VanDerWaalsContact CA-CD1 3.47Å; A349-L357 HydrophobicContact CB-CD1 3.84Å; A349-L357 HydrophobicContact CB-CD2 3.94Å; A349-L357 HydrophobicContact CB-CG 3.85Å; E355-L357 PolarHBondContact O-N 3Å; L357-A382 HydrophobicContact CD1-CB 4.47Å
358S91.1Very high83.7Confident51 Ų5164.4 Ų64.436%0.35736%0.363SS..EExtended strand (participates in β ladder)trans-160.8163.5-179.366.10000112.1V347V347-S358 WeakPolarHBondContact CB-OG 3.08Å; V347-S358 WeakPolarHBondContact CG2-OG 3.44Å; V347-S358 PolarHBondContact N-O 2.65Å; V347-S358 PolarHBondContact O-N 2.94Å
359V93.6Very high82.6Confident82 Ų8266.8 Ų66.850%0.49738%0.375SS..EExtended strand (participates in β ladder)trans-117.3122.5175.5-178.50000108T344 L345 L346 L356T344-V359 HydrophobicContact CG2-CG1 3.31Å; L345-V359 CarbonylContact O-C 3.44Å; L345-V359 WeakPolarHBondContact O-CA 3.48Å; L346-V359 HydrophobicContact CD2-CG1 4.28Å; L346-V359 HydrophobicContact CD2-CG2 3.87Å; L356-V359 HydrophobicContact CD1-CG2 4.28Å; L356-V359 HydrophobicContact CD2-CG2 4.1Å
360L92.4Very high81.6Confident26 Ų2665.5 Ų65.514%0.13637%0.365CS..EExtended strand (participates in β ladder)trans-100132.6179.3-53.4175000109.8V340 T344 L345 V347 F366V340-L360 HydrophobicContact CG2-CB 4.35Å; T344-L360 WeakPolarHBondContact CA-O 3.47Å; L345-L360 HydrophobicContact CB-CB 4.18Å; L345-L360 PolarHBondContact N-O 3.09Å; L345-L360 PolarHBondContact O-N 3.08Å; V347-L360 HydrophobicContact CG2-CD1 3.58Å; V347-L360 HydrophobicContact CG2-CD2 4.34Å; V347-L360 HydrophobicContact CG2-CG 3.68Å; L360-F366 HydrophobicContact CD1-CB 3.86Å; L360-F366 HydrophobicContact CD1-CD1 3.73Å; L360-F366 HydrophobicContact CD1-CE1 4.5Å; L360-F366 HydrophobicContact CD1-CG 3.92Å
361G90.9Very high81Confident26 Ų2664.9 Ų64.927%0.26836%0.358SS..  trans-115.4-175.9177.400000111.8V340 G363 S364V340-G361 VanDerWaalsContact CB-O 3.27Å; V340-G361 WeakPolarHBondContact CB-O 3.35Å; V340-G361 WeakPolarHBondContact CG1-O 3.4Å; G361-G363 PolarHBondContact O-N 2.82Å; G361-S364 PolarHBondContact N-OG 3.33Å; G361-S364 VanDerWaalsContact O-CB 3.23Å; G361-S364 WeakPolarHBondContact O-CB 3.42Å; G361-S364 PolarHBondContact O-N 2.78Å; G361-S364 PolarHBondContact O-OG 2.96Å; G361-S364 VanDerWaalsContact O-OG 3.12Å
362A88.3Confident80.6Confident47 Ų4762.8 Ų62.839%0.38833%0.334SS..THydrogen-bonded Turntrans-55.4129.6177.800000112.3V340 N341V340-A362 WeakPolarHBondContact O-CA 3.48Å; N341-A362 VanDerWaalsContact O-CB 3.3Å; N341-A362 WeakPolarHBondContact O-CB 3.24Å
363G85.2Confident80.1Confident10 Ų1054.1 Ų54.110%0.10330%0.297CS..THydrogen-bonded Turntrans92.1-10.2-175.800000114.7V298 V340 G361V298-G363 WeakPolarHBondContact CG2-O 3.38Å; V340-G363 PolarHBondContact O-N 3Å; G361-G363 PolarHBondContact O-N 2.82Å
364S88.6Confident79.7Confident39 Ų3950 Ų5027%0.27329%0.29SS..  trans-71.3144.1172.1-60.90000111.1V340 G361V340-S364 PolarHBondContact N-O 2.84Å; G361-S364 PolarHBondContact N-OG 3.33Å; G361-S364 VanDerWaalsContact O-CB 3.23Å; G361-S364 WeakPolarHBondContact O-CB 3.42Å; G361-S364 PolarHBondContact O-N 2.78Å; G361-S364 PolarHBondContact O-OG 2.96Å; G361-S364 VanDerWaalsContact O-OG 3.12Å
365V86.1Confident78.7Confident32 Ų3257.5 Ų57.519%0.19431%0.311CS..EExtended strand (participates in β ladder)trans-113.3142.4174.1-175.50000108.4V298 M337 Y338 I339V298-V365 HydrophobicContact CB-CG2 4.29Å; V298-V365 HydrophobicContact CG1-CG2 3.42Å; V298-V365 VanDerWaalsContact CG1-CG2 3.42Å; V298-V365 HydrophobicContact CG2-CG2 4.07Å; M337-V365 HydrophobicContact CE-CG1 3.56Å; Y338-V365 WeakPolarHBondContact O-CA 3.22Å; I339-V365 HydrophobicContact CG1-CG1 4.4Å; I339-V365 HydrophobicContact CG1-CG2 4.05Å; I339-V365 HydrophobicContact CG2-CG2 4.48Å
366F86.7Confident77.3Confident16 Ų1654.4 Ų54.47%0.0731%0.313CS..EExtended strand (participates in β ladder)trans-145.5159.2170.768-81.4000111.4I327 Y338 V340 L345 L360 E368 V384 L392I327-F366 HydrophobicContact CD1-CZ 4.45Å; I327-F366 HydrophobicContact CG2-CE2 3.99Å; I327-F366 HydrophobicContact CG2-CZ 3.8Å; Y338-F366 HydrophobicContact CD2-CD2 4.08Å; Y338-F366 AromaticContact CD2-CE2 3.41Å; Y338-F366 HydrophobicContact CD2-CE2 3.41Å; Y338-F366 VanDerWaalsContact CD2-CE2 3.41Å; Y338-F366 AromaticContact CD2-CZ 3.71Å; Y338-F366 HydrophobicContact CD2-CZ 3.71Å; Y338-F366 HydrophobicContact CE2-CE2 4.31Å; Y338-F366 HydrophobicContact CG-CE1 4.21Å; Y338-F366 AromaticContact CG-CE2 3.87Å; Y338-F366 HydrophobicContact CG-CE2 3.87Å; Y338-F366 AromaticContact CG-CZ 3.64Å; Y338-F366 HydrophobicContact CG-CZ 3.64Å; Y338-F366 PolarHBondContact N-O 3.44Å; Y338-F366 PolarHBondContact O-N 2.81Å; V340-F366 HydrophobicContact CG2-CD1 4.3Å; V340-F366 HydrophobicContact CG2-CE1 4.07Å; L345-F366 HydrophobicContact CD1-CD1 4.15Å; L345-F366 HydrophobicContact CD1-CE1 3.29Å; L345-F366 HydrophobicContact CD1-CZ 3.67Å; L360-F366 HydrophobicContact CD1-CB 3.86Å; L360-F366 HydrophobicContact CD1-CD1 3.73Å; L360-F366 HydrophobicContact CD1-CE1 4.5Å; L360-F366 HydrophobicContact CD1-CG 3.92Å; F366-E368 VanDerWaalsContact C-N 3.34Å; F366-E368 VanDerWaalsContact CA-OE2 3.22Å; F366-E368 WeakPolarHBondContact CA-OE2 3.45Å; F366-V384 HydrophobicContact CD2-CG1 4.4Å; F366-V384 HydrophobicContact CD2-CG2 4Å; F366-V384 HydrophobicContact CE2-CB 4.1Å; F366-V384 HydrophobicContact CE2-CG1 3.9Å; F366-V384 HydrophobicContact CE2-CG2 4.07Å; F366-V384 HydrophobicContact CZ-CG1 3.99Å; F366-L392 HydrophobicContact CE1-CD1 4.26Å; F366-L392 HydrophobicContact CZ-CD1 4Å
367G81.3Confident76.1Confident16 Ų1654.9 Ų54.917%0.16531%0.314CS..SBendtrans86.62.9-176.500000113.9I369 L371G367-I369 VanDerWaalsContact C-N 3.3Å; G367-I369 PolarHBondContact O-N 2.88Å; G367-L371 PolarHBondContact O-N 2.81Å
368E73.6Confident75.5Confident60 Ų6053.1 Ų53.128%0.2831%0.305SS..Hα-helixtrans-62.7-36.2175.469.4-73.6159.500112.3F366 G370 L371 L372F366-E368 VanDerWaalsContact C-N 3.34Å; F366-E368 VanDerWaalsContact CA-OE2 3.22Å; F366-E368 WeakPolarHBondContact CA-OE2 3.45Å; E368-G370 PolarHBondContact O-N 3.1Å; E368-L371 PolarHBondContact O-N 3.2Å; E368-L371 VanDerWaalsContact O-N 3.13Å; E368-L372 HydrophobicContact CB-CD1 4.11Å; E368-L372 VanDerWaalsContact O-CB 3.31Å; E368-L372 WeakPolarHBondContact O-CB 3.23Å; E368-L372 WeakPolarHBondContact O-CG 3.31Å; E368-L372 PolarHBondContact O-N 2.78Å
369I69.5Low75.1Confident65 Ų6557.5 Ų57.533%0.33331%0.313SS..Hα-helixtrans-59.5-49.9-179.1-60.7169.6000110.8G367 L371 L372 A373 M377 T381G367-I369 VanDerWaalsContact C-N 3.3Å; G367-I369 PolarHBondContact O-N 2.88Å; I369-L371 PolarHBondContact O-N 2.96Å; I369-L372 PolarHBondContact O-N 2.77Å; I369-A373 WeakPolarHBondContact O-CB 3.44Å; I369-A373 PolarHBondContact O-N 3.47Å; I369-M377 HydrophobicContact CG2-CE 4.35Å; I369-T381 HydrophobicContact CG2-CG2 4.27Å
370G64.3Low74.8Confident3 Ų354.3 Ų54.33%0.03129%0.292CS..Hα-helixtrans-70.4-16.4-179.200000114E368E368-G370 PolarHBondContact O-N 3.1Å
371L66.4Low74.4Confident1 Ų157 Ų571%0.00531%0.31CS..Hα-helixtrans-91.3-39178.7-154.2145.4000111.6M337 G367 E368 I369 K397 F400 Y401M337-L371 HydrophobicContact CB-CD1 3.92Å; M337-L371 HydrophobicContact CG-CD1 4.01Å; G367-L371 PolarHBondContact O-N 2.81Å; E368-L371 PolarHBondContact O-N 3.2Å; E368-L371 VanDerWaalsContact O-N 3.13Å; I369-L371 PolarHBondContact O-N 2.96Å; L371-K397 HydrophobicContact CD1-CB 4.09Å; L371-K397 HydrophobicContact CD2-CG 4.3Å; L371-K397 HydrophobicContact CG-CB 4.09Å; L371-K397 HydrophobicContact CG-CD 4.48Å; L371-K397 HydrophobicContact CG-CG 3.99Å; L371-F400 HydrophobicContact CD2-CB 3.97Å; L371-F400 HydrophobicContact CD2-CD1 3.19Å; L371-F400 HydrophobicContact CD2-CD2 4.36Å; L371-F400 HydrophobicContact CD2-CE1 3.67Å; L371-F400 HydrophobicContact CD2-CG 3.58Å; L371-F400 HydrophobicContact CD2-CZ 4.4Å; L371-Y401 HydrophobicContact CD2-CE2 4.44Å; L371-Y401 PolarHBondContact O-OH 3.26Å
372L65.8Low74.3Confident11 Ų1156.1 Ų56.16%0.05830%0.3CS..Hα-helixtrans-94.5-15.8-175.4-66.9171.3000114.8E368 I369 M374 F400 L414 A418E368-L372 HydrophobicContact CB-CD1 4.11Å; E368-L372 VanDerWaalsContact O-CB 3.31Å; E368-L372 WeakPolarHBondContact O-CB 3.23Å; E368-L372 WeakPolarHBondContact O-CG 3.31Å; E368-L372 PolarHBondContact O-N 2.78Å; I369-L372 PolarHBondContact O-N 2.77Å; L372-M374 PolarHBondContact O-N 3.14Å; L372-F400 HydrophobicContact CD2-CE1 3.67Å; L372-F400 HydrophobicContact CD2-CZ 3.76Å; L372-L414 HydrophobicContact CD1-CB 4.06Å; L372-L414 HydrophobicContact CD2-CB 4.21Å; L372-A418 HydrophobicContact CB-CB 3.59Å; L372-A418 HydrophobicContact CD1-CB 3.92Å; L372-A418 HydrophobicContact CG-CB 4.4Å
373A60.3Low74.5Confident22 Ų2254.8 Ų54.818%0.18229%0.287CS..  trans-61.1106.5-173.800000112.7I369 R375 M377I369-A373 WeakPolarHBondContact O-CB 3.44Å; I369-A373 PolarHBondContact O-N 3.47Å; A373-R375 PolarHBondContact O-N 3.45Å; A373-M377 HydrophobicContact CB-CB 4.32Å
374M52.3Low74.9Confident140 Ų14054.6 Ų54.669%0.6928%0.283SS*.THydrogen-bonded Turntrans-61.8-22.3171.4-69-156.5-167.500113.4L372 G376 E415L372-M374 PolarHBondContact O-N 3.14Å; M374-G376 PolarHBondContact O-N 2.99Å; M374-E415 HydrophobicContact CE-CB 4.21Å; M374-E415 HydrophobicContact CE-CG 3.93Å; M374-E415 WeakPolarHBondContact CE-OE2 3.42Å
375R51.7Low75.1Confident245 Ų24554 Ų5493%0.92528%0.277SS*.THydrogen-bonded Turntrans-8217.6-174.1-70.9-173.6170.5177.5-1.5114.5A373 M377A373-R375 PolarHBondContact O-N 3.45Å; R375-M377 PolarHBondContact O-N 3.05Å
376G57.8Low75.5Confident58 Ų5852.5 Ų52.560%0.59827%0.268SS*.SBendtrans71.95.5-179.700000114.6M374 N378M374-G376 PolarHBondContact O-N 2.99Å; G376-N378 VanDerWaalsContact C-N 3.27Å; G376-N378 PolarHBondContact O-N 3.32Å
377M64.5Low75.8Confident102 Ų10258.6 Ų58.650%0.50229%0.294SS..  trans-81.571.3177.8-162.1168.775.800110.8I369 A373 R375 R379I369-M377 HydrophobicContact CG2-CE 4.35Å; A373-M377 HydrophobicContact CB-CB 4.32Å; R375-M377 PolarHBondContact O-N 3.05Å; M377-R379 PolarHBondContact O-N 3.14Å; M377-R379 VanDerWaalsContact O-N 3.11Å
378N75.1Confident76.4Confident64 Ų6459 Ų5934%0.34230%0.298SS..  trans-82.132.8178.2-70.1-35.6000112.7I333 S334 G376 K397I333-N378 CarbonylContact C-O 3.47Å; I333-N378 WeakPolarHBondContact CA-O 3.4Å; S334-N378 PolarHBondContact N-O 2.78Å; G376-N378 VanDerWaalsContact C-N 3.27Å; G376-N378 PolarHBondContact O-N 3.32Å; N378-K397 PolarHBondContact OD1-NZ 3.27Å
379R83.6Confident77.3Confident143 Ų14359.5 Ų59.554%0.5430%0.299SS..BIsolated β-bridgetrans-119.8147.5-174.7-72.5-173.5-179.6-117.38.3112N331 E332 M377N331-R379 WeakPolarHBondContact O-CD 3.42Å; N331-R379 PolarHBondContact O-NH1 3.38Å; E332-R379 CarbonylContact O-C 3.58Å; E332-R379 WeakPolarHBondContact O-CA 3.23Å; M377-R379 PolarHBondContact O-N 3.14Å; M377-R379 VanDerWaalsContact O-N 3.11Å
380R86.2Confident78.4Confident15 Ų1556.4 Ų56.46%0.05728%0.284CS..  trans-65135.4176.2-61.5-67.9-177.5-163.82.5110.1C328 R329 N331 E332 S334 E336C328-R380 HydrophobicContact CB-CG 3.93Å; R329-R380 WeakPolarHBondContact O-CB 3.18Å; N331-R380 PolarHBondContact N-O 3.3Å; E332-R380 HydrophobicContact CB-CG 4.08Å; E332-R380 WeakPolarHBondContact O-CG 3.24Å; E332-R380 PolarHBondContact O-N 3.47Å; S334-R380 VanDerWaalsContact OG-CD 3.31Å; S334-R380 WeakPolarHBondContact OG-CD 3.44Å; S334-R380 PolarHBondContact OG-N 2.88Å; E336-R380 VanDerWaalsContact O-CZ 3.26Å; E336-R380 PolarHBondContact O-NH1 2.68Å; E336-R380 PolarHBondContact O-NH2 2.84Å
381T85.3Confident79.6Confident81 Ų8156.4 Ų56.450%0.49728%0.283SS..SBendtrans-84-25.7-176.548.80000113.3I369I369-T381 HydrophobicContact CG2-CG2 4.27Å
382A88.8Confident80.7Confident8 Ų856.3 Ų56.37%0.06628%0.283CS..SBendtrans-148.8161.6-172.400000111V347 L348 L357V347-A382 HydrophobicContact CG1-CB 3.53Å; L348-A382 VanDerWaalsContact O-CB 3.32Å; L348-A382 WeakPolarHBondContact O-CB 3.38Å; L357-A382 HydrophobicContact CD1-CB 4.47Å
383D91Very high81.8Confident20 Ų2056.3 Ų56.311%0.10728%0.282CS..EExtended strand (participates in β ladder)trans-79.5135.8167.6-65.8-25.8000108.7Y326 C328 R329 K330 V347 L348 G350Y326-D383 HydrophobicContact CD1-CB 4.44Å; Y326-D383 HydrophobicContact CE1-CB 4.24Å; C328-D383 WeakPolarHBondContact O-CA 3.2Å; R329-D383 WeakPolarHBondContact CA-OD1 3.41Å; K330-D383 WeakPolarHBondContact CB-OD1 3.47Å; K330-D383 PolarHBondContact N-OD1 2.78Å; V347-D383 CarbonylContact C-O 3.6Å; V347-D383 WeakPolarHBondContact CA-O 3.18Å; L348-D383 HydrophobicContact CB-CB 4.21Å; L348-D383 PolarHBondContact N-O 3.44Å; L348-D383 PolarHBondContact O-N 3.12Å; G350-D383 VanDerWaalsContact CA-OD2 3.23Å; G350-D383 WeakPolarHBondContact CA-OD2 3.23Å
384V93.5Very high83.2Confident6 Ų655.6 Ų55.64%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-123.9121174.1-1750000108I327 C328 L345 L346 V347 F366I327-V384 HydrophobicContact CD1-CG1 4.05Å; I327-V384 PolarHBondContact N-O 3.4Å; C328-V384 PolarHBondContact N-O 3.44Å; C328-V384 PolarHBondContact O-N 3.01Å; C328-V384 VanDerWaalsContact SG-CG2 3.57Å; L345-V384 HydrophobicContact CB-CG1 3.97Å; L345-V384 HydrophobicContact CD1-CG1 3.91Å; L346-V384 WeakPolarHBondContact O-CA 3.4Å; V347-V384 HydrophobicContact CG1-CG2 4.48Å; V347-V384 HydrophobicContact CG2-CG2 4.27Å; F366-V384 HydrophobicContact CD2-CG1 4.4Å; F366-V384 HydrophobicContact CD2-CG2 4Å; F366-V384 HydrophobicContact CE2-CB 4.1Å; F366-V384 HydrophobicContact CE2-CG1 3.9Å; F366-V384 HydrophobicContact CE2-CG2 4.07Å; F366-V384 HydrophobicContact CZ-CG1 3.99Å
385L93.7Very high84.9Confident26 Ų2649 Ų4914%0.13624%0.243CC..EExtended strand (participates in β ladder)trans-122.9153175.370.4141.6000111.8D325 Y326 L345 L346 L348D325-L385 CarbonylContact O-C 3.54Å; D325-L385 VanDerWaalsContact O-CA 3.23Å; D325-L385 WeakPolarHBondContact O-CA 3.5Å; D325-L385 WeakPolarHBondContact O-CB 3.33Å; Y326-L385 HydrophobicContact CD1-CB 4.31Å; L345-L385 WeakPolarHBondContact CA-O 3.32Å; L346-L385 HydrophobicContact CB-CD2 4.05Å; L346-L385 HydrophobicContact CB-CG 4.16Å; L346-L385 HydrophobicContact CD1-CD1 4.49Å; L346-L385 PolarHBondContact N-O 3.44Å; L346-L385 PolarHBondContact O-N 3.34Å; L348-L385 HydrophobicContact CD1-CD2 3.32Å; L348-L385 HydrophobicContact CD2-CD2 4.35Å; L348-L385 HydrophobicContact CG-CD2 3.56Å
386S95.1Very high86.7Confident0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-83.3125176-1670000111L322 G324 D325 G388 S390L322-S386 WeakPolarHBondContact O-CB 3.4Å; G324-S386 PolarHBondContact N-O 2.66Å; D325-S386 PolarHBondContact O-N 3.11Å; S386-G388 PolarHBondContact OG-O 2.89Å; S386-S390 VanDerWaalsContact OG-CB 3.27Å; S386-S390 WeakPolarHBondContact OG-CB 3.44Å; S386-S390 PolarHBondContact OG-OG 3.49Å
387K93Very high88Confident144 Ų14438 Ų3863%0.62619%0.188SC*.SBendtrans-72.4-34.7176-174.8177.2177.9177.90112T344 L346T344-K387 WeakPolarHBondContact O-CB 3.37Å; T344-K387 PolarHBondContact O-N 3.39Å; L346-K387 HydrophobicContact CD1-CB 4.21Å; L346-K387 HydrophobicContact CD1-CG 4.37Å; L346-K387 HydrophobicContact CD2-CD 4.35Å; L346-K387 HydrophobicContact CG-CB 4.12Å
388G92.6Very high89Confident24 Ų2439.3 Ų39.325%0.24719%0.193CC..SBendtrans-137-156.2-178.700000110.9L322 S386 S390L322-G388 CarbonylContact C-O 2.99Å; S386-G388 PolarHBondContact OG-O 2.89Å; G388-S390 PolarHBondContact O-N 3.16Å
389F92Very high89.6Confident71 Ų7138 Ų3831%0.31119%0.186SC..  trans-70.6125.1165.4-66.3-90.8000109Y261 L322 P323Y261-F389 HydrophobicContact CD1-CB 4.38Å; Y261-F389 AromaticContact CD1-CD1 3.91Å; Y261-F389 HydrophobicContact CD1-CD1 3.91Å; Y261-F389 HydrophobicContact CD1-CG 4.48Å; Y261-F389 HydrophobicContact CD2-CB 3.65Å; Y261-F389 AromaticContact CD2-CD1 3.46Å; Y261-F389 HydrophobicContact CD2-CD1 3.46Å; Y261-F389 VanDerWaalsContact CD2-CD1 3.46Å; Y261-F389 HydrophobicContact CD2-CD2 4.17Å; Y261-F389 HydrophobicContact CD2-CE1 4.12Å; Y261-F389 AromaticContact CD2-CG 3.49Å; Y261-F389 HydrophobicContact CD2-CG 3.49Å; Y261-F389 VanDerWaalsContact CD2-CG 3.49Å; Y261-F389 HydrophobicContact CE1-CB 4.11Å; Y261-F389 HydrophobicContact CE1-CD1 4.46Å; Y261-F389 HydrophobicContact CE2-CB 3.32Å; Y261-F389 HydrophobicContact CE2-CD1 4.08Å; Y261-F389 HydrophobicContact CE2-CD2 4.48Å; Y261-F389 AromaticContact CE2-CG 3.73Å; Y261-F389 HydrophobicContact CE2-CG 3.73Å; Y261-F389 HydrophobicContact CG-CB 4.17Å; Y261-F389 AromaticContact CG-CD1 3.36Å; Y261-F389 HydrophobicContact CG-CD1 3.36Å; Y261-F389 AromaticContact CG-CE1 3.91Å; Y261-F389 HydrophobicContact CG-CE1 3.91Å; Y261-F389 AromaticContact CG-CG 3.9Å; Y261-F389 HydrophobicContact CG-CG 3.9Å; L322-F389 HydrophobicContact CD2-CD1 3.84Å; L322-F389 HydrophobicContact CD2-CE1 3.39Å; L322-F389 HydrophobicContact CD2-CZ 4.36Å; P323-F389 HydrophobicContact CG-CD2 4.09Å; P323-F389 HydrophobicContact CG-CE2 4.02Å; P323-F389 HydrophobicContact CG-CZ 4.43Å
390S92.6Very high89.6Confident0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-130.2140.1179.3-57.50000110.6I320 Y321 K342 T344 S386 G388I320-S390 WeakPolarHBondContact CA-O 3.35Å; Y321-S390 PolarHBondContact N-O 2.82Å; Y321-S390 PolarHBondContact O-N 3.11Å; K342-S390 CarbonylContact O-C 3.57Å; K342-S390 VanDerWaalsContact O-CA 3.27Å; K342-S390 WeakPolarHBondContact O-CA 3.38Å; K342-S390 WeakPolarHBondContact O-CB 3.44Å; T344-S390 PolarHBondContact N-OG 3Å; S386-S390 VanDerWaalsContact OG-CB 3.27Å; S386-S390 WeakPolarHBondContact OG-CB 3.44Å; S386-S390 PolarHBondContact OG-OG 3.49Å; G388-S390 PolarHBondContact O-N 3.16Å
391T90.1Very high89.5Confident3 Ų334.5 Ų34.52%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-112122.2174.6-540000107.7S318 N341 K342S318-T391 WeakPolarHBondContact OG-CG2 3.36Å; N341-T391 WeakPolarHBondContact CA-O 3.31Å; N341-T391 HydrophobicContact CB-CG2 4.46Å; N341-T391 VanDerWaalsContact CB-O 3.24Å; N341-T391 WeakPolarHBondContact CB-O 3.4Å; N341-T391 PolarHBondContact N-O 3.38Å; K342-T391 PolarHBondContact N-O 3Å; K342-T391 PolarHBondContact O-N 2.91Å
392L90.8Very high89.5Confident0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-118.5145.6-178.5-52.4-175.1000110.2V319 Y321 I327 Y338 I339 V340 L345 F366V319-L392 PolarHBondContact N-O 3.35Å; V319-L392 PolarHBondContact O-N 3.27Å; Y321-L392 HydrophobicContact CD2-CD1 3.68Å; Y321-L392 HydrophobicContact CD2-CG 3.92Å; Y321-L392 HydrophobicContact CE2-CB 4.33Å; Y321-L392 HydrophobicContact CE2-CD1 3.6Å; Y321-L392 HydrophobicContact CE2-CG 4.09Å; I327-L392 HydrophobicContact CD1-CD1 3.68Å; I327-L392 HydrophobicContact CG1-CD1 3.99Å; I327-L392 HydrophobicContact CG2-CD1 3.95Å; Y338-L392 HydrophobicContact CD1-CD1 4.27Å; I339-L392 CarbonylContact O-C 3.57Å; I339-L392 WeakPolarHBondContact O-CA 3.42Å; V340-L392 HydrophobicContact CB-CD2 4.05Å; V340-L392 HydrophobicContact CG1-CD2 4.02Å; V340-L392 HydrophobicContact CG2-CD2 3.92Å; L345-L392 HydrophobicContact CD1-CD1 4.17Å; L345-L392 HydrophobicContact CD1-CD2 3.92Å; L345-L392 HydrophobicContact CD2-CD2 4.43Å; F366-L392 HydrophobicContact CE1-CD1 4.26Å; F366-L392 HydrophobicContact CZ-CD1 4Å
393F88.6Confident89.2Confident11 Ų1132.6 Ų32.65%0.04816%0.159CC..EExtended strand (participates in β ladder)trans-89.8132.7161.4-64.2-63000110.1N291 L316 K317 Y338 I339 N341N291-F393 HydrophobicContact CB-CE2 4.13Å; N291-F393 HydrophobicContact CB-CZ 4.15Å; N291-F393 WeakPolarHBondContact OD1-CZ 3.3Å; L316-F393 HydrophobicContact CB-CB 4.26Å; L316-F393 HydrophobicContact CB-CD1 4.2Å; L316-F393 HydrophobicContact CB-CG 4.45Å; L316-F393 HydrophobicContact CD1-CB 3.63Å; L316-F393 HydrophobicContact CD1-CD1 4.3Å; L316-F393 HydrophobicContact CD1-CD2 4.26Å; L316-F393 HydrophobicContact CD1-CG 3.81Å; L316-F393 HydrophobicContact CD2-CB 4.25Å; L316-F393 HydrophobicContact CG-CB 4.27Å; K317-F393 CarbonylContact O-C 3.57Å; K317-F393 WeakPolarHBondContact O-CA 3.26Å; Y338-F393 CarbonylContact C-O 3.55Å; Y338-F393 VanDerWaalsContact CA-O 3.28Å; Y338-F393 WeakPolarHBondContact CA-O 3.48Å; I339-F393 HydrophobicContact CB-CB 4.25Å; I339-F393 PolarHBondContact N-O 3.27Å; I339-F393 PolarHBondContact O-N 2.87Å; N341-F393 HydrophobicContact CB-CD2 3.96Å; N341-F393 HydrophobicContact CB-CE2 3.56Å; N341-F393 HydrophobicContact CB-CZ 4.15Å; N341-F393 WeakPolarHBondContact ND2-CZ 3.48Å
394V89.9Confident88.8Confident6 Ų631.8 Ų31.84%0.03616%0.155CC..EExtended strand (participates in β ladder)trans-109.9128.4179.8-171.50000108.4K317 V319 E336 Y338K317-V394 HydrophobicContact CB-CB 4.46Å; K317-V394 PolarHBondContact N-O 2.82Å; K317-V394 PolarHBondContact O-N 3.28Å; V319-V394 HydrophobicContact CB-CG2 3.86Å; V319-V394 HydrophobicContact CG2-CB 4.46Å; V319-V394 HydrophobicContact CG2-CG2 3.47Å; V319-V394 VanDerWaalsContact CG2-CG2 3.47Å; E336-V394 HydrophobicContact CB-CG1 3.78Å; E336-V394 HydrophobicContact CG-CG1 3.95Å; E336-V394 WeakPolarHBondContact OE2-CG1 3.29Å; Y338-V394 HydrophobicContact CD1-CB 4.32Å; Y338-V394 HydrophobicContact CD1-CG1 4.25Å; Y338-V394 HydrophobicContact CD1-CG2 3.73Å; Y338-V394 HydrophobicContact CE1-CB 4.16Å; Y338-V394 HydrophobicContact CE1-CG1 3.72Å; Y338-V394 HydrophobicContact CE1-CG2 3.57Å
395L87.6Confident88.2Confident2 Ų238.5 Ų38.51%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-120.4125.2170.4-173.864.1000109.3L312 K315 L316 E336 M337 D399 F400L312-L395 HydrophobicContact CD2-CD1 4.31Å; L312-L395 HydrophobicContact CD2-CD2 3.7Å; K315-L395 HydrophobicContact CB-CD1 3.89Å; L316-L395 HydrophobicContact CD2-CB 3.59Å; L316-L395 HydrophobicContact CD2-CD1 4.01Å; L316-L395 HydrophobicContact CD2-CD2 4.45Å; L316-L395 HydrophobicContact CD2-CG 4.21Å; E336-L395 CarbonylContact C-O 3.58Å; E336-L395 VanDerWaalsContact CA-O 3.24Å; E336-L395 WeakPolarHBondContact CA-O 3.39Å; M337-L395 HydrophobicContact CG-CB 3.73Å; M337-L395 HydrophobicContact CG-CD2 4.29Å; M337-L395 HydrophobicContact CG-CG 4.46Å; M337-L395 PolarHBondContact N-O 2.84Å; M337-L395 PolarHBondContact O-N 3.02Å; M337-L395 HydrophobicContact SD-CB 4.35Å; M337-L395 HydrophobicContact SD-CD2 3.88Å; L395-D399 HydrophobicContact CD1-CB 3.86Å; L395-F400 HydrophobicContact CD2-CB 3.87Å; L395-F400 HydrophobicContact CD2-CD2 3.66Å; L395-F400 HydrophobicContact CD2-CG 4.26Å; L395-F400 HydrophobicContact CG-CB 4.17Å
396S89.3Confident87.7Confident25 Ų2543 Ų4318%0.17521%0.208CC..EExtended strand (participates in β ladder)trans-73.3150.7177.985.80000111.3H398 D399 F400S396-H398 VanDerWaalsContact C-N 3.25Å; S396-H398 PolarHBondContact O-N 3.13Å; S396-D399 PolarHBondContact O-N 3.44Å; S396-D399 VanDerWaalsContact OG-CB 3.29Å; S396-D399 WeakPolarHBondContact OG-CB 3.41Å; S396-D399 PolarHBondContact OG-N 3.44Å; S396-D399 VanDerWaalsContact OG-N 3.09Å; S396-D399 PolarHBondContact OG-OD2 3.38Å; S396-F400 WeakPolarHBondContact O-CB 3.31Å; S396-F400 PolarHBondContact O-N 2.71Å
397K84.8Confident87.1Confident46 Ų4644.8 Ų44.820%0.222%0.215CC..Hα-helixtrans-56.7-41.1175.3-176.5169.9-1701720111.9L335 L371 N378 F400 Y401L335-K397 VanDerWaalsContact O-CB 3.23Å; L335-K397 WeakPolarHBondContact O-CB 3.16Å; L335-K397 PolarHBondContact O-N 3Å; L371-K397 HydrophobicContact CD1-CB 4.09Å; L371-K397 HydrophobicContact CD2-CG 4.3Å; L371-K397 HydrophobicContact CG-CB 4.09Å; L371-K397 HydrophobicContact CG-CD 4.48Å; L371-K397 HydrophobicContact CG-CG 3.99Å; N378-K397 PolarHBondContact OD1-NZ 3.27Å; K397-F400 PolarHBondContact O-N 3.13Å; K397-Y401 HydrophobicContact CD-CE2 4.18Å; K397-Y401 HydrophobicContact CG-CD2 3.69Å; K397-Y401 HydrophobicContact CG-CE2 3.58Å; K397-Y401 WeakPolarHBondContact O-CD2 3.19Å; K397-Y401 PolarHBondContact O-N 3.43Å
398H86.1Confident86.4Confident130 Ų13042.4 Ų42.460%0.60221%0.214SC*.Hα-helixtrans-61.1-51.5177.6-176.8-84.3000111.2S396 F400 Y401 D402S396-H398 VanDerWaalsContact C-N 3.25Å; S396-H398 PolarHBondContact O-N 3.13Å; H398-F400 VanDerWaalsContact C-N 3.31Å; H398-F400 PolarHBondContact O-N 3.31Å; H398-Y401 PolarHBondContact O-N 3.31Å; H398-D402 IonicContact CE1-OD2 2.74Å; H398-D402 PolarHBondContact CE1-OD2 3.29Å; H398-D402 IonicContact ND1-OD2 3.63Å; H398-D402 PolarHBondContact ND1-OD2 3.1Å; H398-D402 VanDerWaalsContact ND1-OD2 3.16Å; H398-D402 IonicContact NE2-OD2 2.82Å; H398-D402 WeakPolarHBondContact O-CB 3.36Å; H398-D402 PolarHBondContact O-N 3.48Å
399D87.7Confident85.6Confident37 Ų3745.1 Ų45.120%0.19823%0.234CC..Hα-helixtrans-62.6-38.9-179.7-68.8-33.2000112.5K315 L395 S396 T403K315-D399 HydrophobicContact CB-CB 4.06Å; K315-D399 HydrophobicContact CD-CB 3.67Å; K315-D399 HydrophobicContact CG-CB 4.4Å; L395-D399 HydrophobicContact CD1-CB 3.86Å; S396-D399 PolarHBondContact O-N 3.44Å; S396-D399 VanDerWaalsContact OG-CB 3.29Å; S396-D399 WeakPolarHBondContact OG-CB 3.41Å; S396-D399 PolarHBondContact OG-N 3.44Å; S396-D399 VanDerWaalsContact OG-N 3.09Å; S396-D399 PolarHBondContact OG-OD2 3.38Å; D399-T403 WeakPolarHBondContact O-CB 3.49Å; D399-T403 PolarHBondContact O-N 3.11Å; D399-T403 VanDerWaalsContact O-N 3.11Å; D399-T403 PolarHBondContact O-OG1 3.46Å
400F83.7Confident84.6Confident5 Ų542.5 Ų42.52%0.02223%0.226CC..Hα-helixtrans-62.6-52.4174.9179.1-91.8000111.6M337 L371 L372 L395 S396 K397 H398 D402 T403 M404 L414M337-F400 HydrophobicContact SD-CD2 3.98Å; M337-F400 HydrophobicContact SD-CE2 4.19Å; L371-F400 HydrophobicContact CD2-CB 3.97Å; L371-F400 HydrophobicContact CD2-CD1 3.19Å; L371-F400 HydrophobicContact CD2-CD2 4.36Å; L371-F400 HydrophobicContact CD2-CE1 3.67Å; L371-F400 HydrophobicContact CD2-CG 3.58Å; L371-F400 HydrophobicContact CD2-CZ 4.4Å; L372-F400 HydrophobicContact CD2-CE1 3.67Å; L372-F400 HydrophobicContact CD2-CZ 3.76Å; L395-F400 HydrophobicContact CD2-CB 3.87Å; L395-F400 HydrophobicContact CD2-CD2 3.66Å; L395-F400 HydrophobicContact CD2-CG 4.26Å; L395-F400 HydrophobicContact CG-CB 4.17Å; S396-F400 WeakPolarHBondContact O-CB 3.31Å; S396-F400 PolarHBondContact O-N 2.71Å; K397-F400 PolarHBondContact O-N 3.13Å; H398-F400 VanDerWaalsContact C-N 3.31Å; H398-F400 PolarHBondContact O-N 3.31Å; F400-D402 PolarHBondContact O-N 3.09Å; F400-T403 PolarHBondContact O-N 2.89Å; F400-M404 HydrophobicContact CD1-CG 4.05Å; F400-M404 HydrophobicContact CD2-CE 4.2Å; F400-M404 HydrophobicContact CD2-CG 4.45Å; F400-M404 HydrophobicContact CE1-CG 3.73Å; F400-M404 HydrophobicContact CE2-CE 3.47Å; F400-M404 VanDerWaalsContact CE2-CE 3.47Å; F400-M404 HydrophobicContact CE2-CG 4.17Å; F400-M404 HydrophobicContact CG-CG 4.42Å; F400-M404 HydrophobicContact CZ-CE 3.68Å; F400-M404 HydrophobicContact CZ-CG 3.79Å; F400-M404 HydrophobicContact CZ-SD 4.33Å; F400-M404 WeakPolarHBondContact O-CB 3.24Å; F400-M404 VanDerWaalsContact O-CG 3.24Å; F400-M404 WeakPolarHBondContact O-CG 3.4Å; F400-M404 PolarHBondContact O-N 2.74Å; F400-L414 HydrophobicContact CE2-CD1 3.95Å; F400-L414 HydrophobicContact CZ-CD1 3.6Å
401Y82.8Confident83.6Confident80 Ų8046.1 Ų46.131%0.31424%0.242SC..Hα-helixtrans-65-38.9-179.3-84.9-66.6000112.8L371 K397 H398 T403 M404 K405L371-Y401 HydrophobicContact CD2-CE2 4.44Å; L371-Y401 PolarHBondContact O-OH 3.26Å; K397-Y401 HydrophobicContact CD-CE2 4.18Å; K397-Y401 HydrophobicContact CG-CD2 3.69Å; K397-Y401 HydrophobicContact CG-CE2 3.58Å; K397-Y401 WeakPolarHBondContact O-CD2 3.19Å; K397-Y401 PolarHBondContact O-N 3.43Å; H398-Y401 PolarHBondContact O-N 3.31Å; Y401-T403 VanDerWaalsContact C-N 3.3Å; Y401-T403 PolarHBondContact O-N 3.47Å; Y401-M404 PolarHBondContact O-N 2.92Å; Y401-K405 WeakPolarHBondContact O-CG 3.35Å; Y401-K405 PolarHBondContact O-N 3.11Å; Y401-K405 VanDerWaalsContact O-N 3.1Å
402D85Confident82.7Confident47 Ų4747.9 Ų47.925%0.25126%0.26SS..Hα-helixtrans-61.8-42176.7-79.5-13.6000111.6H398 F400 K405H398-D402 IonicContact CE1-OD2 2.74Å; H398-D402 PolarHBondContact CE1-OD2 3.29Å; H398-D402 IonicContact ND1-OD2 3.63Å; H398-D402 PolarHBondContact ND1-OD2 3.1Å; H398-D402 VanDerWaalsContact ND1-OD2 3.16Å; H398-D402 IonicContact NE2-OD2 2.82Å; H398-D402 WeakPolarHBondContact O-CB 3.36Å; H398-D402 PolarHBondContact O-N 3.48Å; F400-D402 PolarHBondContact O-N 3.09Å; D402-K405 PolarHBondContact O-N 3.44Å; D402-K405 IonicContact OD1-NZ 2.7Å; D402-K405 PolarHBondContact OD1-NZ 3.07Å
403T83.6Confident81.8Confident1 Ų151.4 Ų51.41%0.00628%0.276CS..Hα-helixtrans-69.9-38.7176.9-43.70000111.2L308 D311 L312 K315 D399 F400 Y401 K405 D406 Y407L308-T403 HydrophobicContact CD1-CG2 3.71Å; D311-T403 HydrophobicContact CB-CG2 3.57Å; L312-T403 HydrophobicContact CD2-CG2 3.88Å; L312-T403 HydrophobicContact CG-CG2 4.06Å; K315-T403 PolarHBondContact NZ-OG1 3.28Å; D399-T403 WeakPolarHBondContact O-CB 3.49Å; D399-T403 PolarHBondContact O-N 3.11Å; D399-T403 VanDerWaalsContact O-N 3.11Å; D399-T403 PolarHBondContact O-OG1 3.46Å; F400-T403 PolarHBondContact O-N 2.89Å; Y401-T403 VanDerWaalsContact C-N 3.3Å; Y401-T403 PolarHBondContact O-N 3.47Å; T403-K405 PolarHBondContact O-N 3.23Å; T403-D406 PolarHBondContact O-N 3.36Å; T403-Y407 HydrophobicContact CG2-CD2 4.43Å; T403-Y407 HydrophobicContact CG2-CE2 4.37Å; T403-Y407 WeakPolarHBondContact O-CD2 3.44Å
404M81.5Confident80.7Confident4 Ų451.1 Ų51.12%0.0228%0.275CS..Hα-helixtrans-70.2-14.8-180-71.8-6716700114.3L308 L312 F400 Y401 D406 Y407 A410 K411 L414L308-M404 HydrophobicContact CD1-CE 4.04Å; L308-M404 HydrophobicContact CD1-SD 4.39Å; L308-M404 HydrophobicContact CD2-CE 4.05Å; L308-M404 HydrophobicContact CD2-SD 4.49Å; L312-M404 HydrophobicContact CD1-CE 4.46Å; F400-M404 HydrophobicContact CD1-CG 4.05Å; F400-M404 HydrophobicContact CD2-CE 4.2Å; F400-M404 HydrophobicContact CD2-CG 4.45Å; F400-M404 HydrophobicContact CE1-CG 3.73Å; F400-M404 HydrophobicContact CE2-CE 3.47Å; F400-M404 VanDerWaalsContact CE2-CE 3.47Å; F400-M404 HydrophobicContact CE2-CG 4.17Å; F400-M404 HydrophobicContact CG-CG 4.42Å; F400-M404 HydrophobicContact CZ-CE 3.68Å; F400-M404 HydrophobicContact CZ-CG 3.79Å; F400-M404 HydrophobicContact CZ-SD 4.33Å; F400-M404 WeakPolarHBondContact O-CB 3.24Å; F400-M404 VanDerWaalsContact O-CG 3.24Å; F400-M404 WeakPolarHBondContact O-CG 3.4Å; F400-M404 PolarHBondContact O-N 2.74Å; Y401-M404 PolarHBondContact O-N 2.92Å; M404-D406 VanDerWaalsContact C-N 3.26Å; M404-D406 PolarHBondContact O-N 3.19Å; M404-Y407 PolarHBondContact O-N 2.93Å; M404-A410 HydrophobicContact SD-CB 4.34Å; M404-K411 HydrophobicContact CB-CB 4.37Å; M404-K411 HydrophobicContact CB-CD 4.46Å; M404-K411 HydrophobicContact CB-CG 4.46Å; M404-K411 HydrophobicContact SD-CB 4.26Å; M404-L414 HydrophobicContact CE-CD1 3.37Å; M404-L414 HydrophobicContact SD-CD1 4.14Å
405K81.8Confident79.6Confident147 Ų14753.4 Ų53.464%0.63929%0.285SS*.Hα-helixtrans-62.1-37.2171.3-75.7167-173.2161.70111.6Y401 D402 T403Y401-K405 WeakPolarHBondContact O-CG 3.35Å; Y401-K405 PolarHBondContact O-N 3.11Å; Y401-K405 VanDerWaalsContact O-N 3.1Å; D402-K405 PolarHBondContact O-N 3.44Å; D402-K405 IonicContact OD1-NZ 2.7Å; D402-K405 PolarHBondContact OD1-NZ 3.07Å; T403-K405 PolarHBondContact O-N 3.23Å
406D83.1Confident78.6Confident119 Ų11956.3 Ų56.364%0.63631%0.31SS*.Hα-helixtrans-82.6-18.5-175.9-58.7-34.1000112.3T403 M404 P408T403-D406 PolarHBondContact O-N 3.36Å; M404-D406 VanDerWaalsContact C-N 3.26Å; M404-D406 PolarHBondContact O-N 3.19Å; D406-P408 WeakPolarHBondContact O-CD 3.44Å
407Y83.7Confident77.4Confident38 Ų3860.1 Ų60.115%0.14932%0.324CS..  trans-12571.7-177.1-57-86.1000112.7G307 L308 D311 T403 M404 A409 A410 K411G307-Y407 WeakPolarHBondContact CA-OH 3.23Å; G307-Y407 PolarHBondContact O-OH 3.24Å; L308-Y407 HydrophobicContact CB-CD1 3.97Å; L308-Y407 HydrophobicContact CB-CD2 3.96Å; L308-Y407 HydrophobicContact CB-CE1 4.09Å; L308-Y407 HydrophobicContact CB-CE2 4.1Å; L308-Y407 HydrophobicContact CB-CG 3.9Å; L308-Y407 HydrophobicContact CD1-CD2 3.62Å; L308-Y407 HydrophobicContact CD1-CE2 4.16Å; L308-Y407 HydrophobicContact CD1-CG 4.06Å; L308-Y407 HydrophobicContact CG-CD2 4.33Å; L308-Y407 HydrophobicContact CG-CG 4.4Å; L308-Y407 PolarHBondContact N-OH 3.48Å; D311-Y407 VanDerWaalsContact OD2-CE2 3.26Å; D311-Y407 WeakPolarHBondContact OD2-CE2 3.14Å; D311-Y407 PolarHBondContact OD2-OH 3.02Å; T403-Y407 HydrophobicContact CG2-CD2 4.43Å; T403-Y407 HydrophobicContact CG2-CE2 4.37Å; T403-Y407 WeakPolarHBondContact O-CD2 3.44Å; M404-Y407 PolarHBondContact O-N 2.93Å; Y407-A409 VanDerWaalsContact C-N 3.33Å; Y407-A409 PolarHBondContact O-N 2.95Å; Y407-A410 PolarHBondContact O-N 3.2Å; Y407-K411 PolarHBondContact O-N 3.28Å
408P77.5Confident75.9Confident95 Ų9559.4 Ų59.462%0.61733%0.326SS*.Hα-helixtrans-64.8-31-174.424.8-34.4000114.1D406 K411 G412D406-P408 WeakPolarHBondContact O-CD 3.44Å; P408-K411 PolarHBondContact O-N 3.32Å; P408-G412 PolarHBondContact O-N 3.23Å; P408-G412 VanDerWaalsContact O-N 3.11Å
409A75.2Confident74.1Confident80 Ų8064.4 Ų64.466%0.66135%0.346SS*.Hα-helixtrans-63.8-42.6177.600000111.9Y407 G412 H413Y407-A409 VanDerWaalsContact C-N 3.33Å; Y407-A409 PolarHBondContact O-N 2.95Å; A409-G412 PolarHBondContact O-N 2.84Å; A409-H413 PolarHBondContact O-N 2.97Å
410A71.3Confident73.4Confident17 Ų1765.8 Ų65.814%0.1435%0.353CS..Hα-helixtrans-66.9-43176.200000111.2L308 M404 Y407 G412 H413 L414L308-A410 HydrophobicContact CD2-CB 3.36Å; M404-A410 HydrophobicContact SD-CB 4.34Å; Y407-A410 PolarHBondContact O-N 3.2Å; A410-G412 VanDerWaalsContact C-N 3.29Å; A410-G412 PolarHBondContact O-N 3.49Å; A410-H413 WeakPolarHBondContact O-CB 3.19Å; A410-H413 PolarHBondContact O-N 3.5Å; A410-H413 VanDerWaalsContact O-N 3.13Å; A410-L414 WeakPolarHBondContact O-CG 3.12Å; A410-L414 PolarHBondContact O-N 3.23Å; A410-L414 VanDerWaalsContact O-N 3.09Å
411K71.8Confident72.9Confident76 Ų7668.9 Ų68.933%0.3337%0.371SS..Hα-helixtrans-54-44.9175.8-173.9-178.3173.8-174.90112.2M404 Y407 P408 H413 L414 E415M404-K411 HydrophobicContact CB-CB 4.37Å; M404-K411 HydrophobicContact CB-CD 4.46Å; M404-K411 HydrophobicContact CB-CG 4.46Å; M404-K411 HydrophobicContact SD-CB 4.26Å; Y407-K411 PolarHBondContact O-N 3.28Å; P408-K411 PolarHBondContact O-N 3.32Å; K411-H413 PolarHBondContact O-N 3.38Å; K411-L414 PolarHBondContact O-N 3.31Å; K411-E415 WeakPolarHBondContact CE-OE1 3.46Å; K411-E415 WeakPolarHBondContact O-CG 3.41Å; K411-E415 PolarHBondContact O-N 3.49Å
412G70.6Confident72.3Confident39 Ų3968.3 Ų68.340%0.40237%0.374SS..Hα-helixtrans-62.8-39.9177.500000113.8P408 A409 A410 L414 A416P408-G412 PolarHBondContact O-N 3.23Å; P408-G412 VanDerWaalsContact O-N 3.11Å; A409-G412 PolarHBondContact O-N 2.84Å; A410-G412 VanDerWaalsContact C-N 3.29Å; A410-G412 PolarHBondContact O-N 3.49Å; G412-L414 VanDerWaalsContact C-N 3.3Å; G412-L414 PolarHBondContact O-N 3.11Å; G412-A416 WeakPolarHBondContact O-CB 3.07Å; G412-A416 PolarHBondContact O-N 3.45Å; G412-A416 VanDerWaalsContact O-N 3.09Å
413H71.3Confident71.6Confident75 Ų7569.6 Ų69.635%0.34738%0.381SS..Hα-helixtrans-63.1-37.1175.3-174.482.2000112.1A409 A410 K411 K417A409-H413 PolarHBondContact O-N 2.97Å; A410-H413 WeakPolarHBondContact O-CB 3.19Å; A410-H413 PolarHBondContact O-N 3.5Å; A410-H413 VanDerWaalsContact O-N 3.13Å; K411-H413 PolarHBondContact O-N 3.38Å; H413-K417 WeakPolarHBondContact NE2-CE 3.05Å; H413-K417 PolarHBondContact NE2-NZ 3.09Å; H413-K417 VanDerWaalsContact NE2-NZ 3.11Å; H413-K417 PolarHBondContact O-N 3.21Å
414L66.2Low70.8Confident4 Ų473.9 Ų73.92%0.02141%0.405CS..Hα-helixtrans-73.6-42.6179.2-63.5-174.7000112.9L300 L372 F400 M404 A410 K411 G412 A416 K417 A418L300-L414 HydrophobicContact CD1-CD1 4.22Å; L300-L414 HydrophobicContact CD1-CD2 3.13Å; L300-L414 HydrophobicContact CD1-CG 4.27Å; L300-L414 HydrophobicContact CG-CD1 4.42Å; L300-L414 HydrophobicContact CG-CD2 3.77Å; L372-L414 HydrophobicContact CD1-CB 4.06Å; L372-L414 HydrophobicContact CD2-CB 4.21Å; F400-L414 HydrophobicContact CE2-CD1 3.95Å; F400-L414 HydrophobicContact CZ-CD1 3.6Å; M404-L414 HydrophobicContact CE-CD1 3.37Å; M404-L414 HydrophobicContact SD-CD1 4.14Å; A410-L414 WeakPolarHBondContact O-CG 3.12Å; A410-L414 PolarHBondContact O-N 3.23Å; A410-L414 VanDerWaalsContact O-N 3.09Å; K411-L414 PolarHBondContact O-N 3.31Å; G412-L414 VanDerWaalsContact C-N 3.3Å; G412-L414 PolarHBondContact O-N 3.11Å; L414-A416 PolarHBondContact O-N 3.31Å; L414-K417 PolarHBondContact O-N 2.97Å; L414-A418 PolarHBondContact O-N 3.17Å
415E67.5Low70.1Confident54 Ų5478.5 Ų78.525%0.25243%0.43SS..Hα-helixtrans-63.2-31.2174.9-71.9177.1172.300112.2M374 K411M374-E415 HydrophobicContact CE-CB 4.21Å; M374-E415 HydrophobicContact CE-CG 3.93Å; M374-E415 WeakPolarHBondContact CE-OE2 3.42Å; K411-E415 WeakPolarHBondContact CE-OE1 3.46Å; K411-E415 WeakPolarHBondContact O-CG 3.41Å; K411-E415 PolarHBondContact O-N 3.49Å
416A66.8Low69.3Low64 Ų6473.6 Ų73.653%0.52942%0.415SS..Hα-helixtrans-68.8-37174.500000112.8G412 L414G412-A416 WeakPolarHBondContact O-CB 3.07Å; G412-A416 PolarHBondContact O-N 3.45Å; G412-A416 VanDerWaalsContact O-N 3.09Å; L414-A416 PolarHBondContact O-N 3.31Å
417K62.5Low68.2Low105 Ų10570.2 Ų70.246%0.45740%0.398SS..Hα-helixtrans-76.5-22.1176.3-76.9-176.4174.7172.50113.7H413 L414 K419H413-K417 WeakPolarHBondContact NE2-CE 3.05Å; H413-K417 PolarHBondContact NE2-NZ 3.09Å; H413-K417 VanDerWaalsContact NE2-NZ 3.11Å; H413-K417 PolarHBondContact O-N 3.21Å; L414-K417 PolarHBondContact O-N 2.97Å; K417-K419 VanDerWaalsContact C-N 3.33Å
418A54.4Low66.9Low31 Ų3172.8 Ų72.826%0.25642%0.419SS..THydrogen-bonded Turntrans-82.8-6.1179.200000114.2L372 L414L372-A418 HydrophobicContact CB-CB 3.59Å; L372-A418 HydrophobicContact CD1-CB 3.92Å; L372-A418 HydrophobicContact CG-CB 4.4Å; L414-A418 PolarHBondContact O-N 3.17Å
419K47.9Very low65.9Low234 Ų23470.8 Ų70.8100%1.01740%0.401SS*.  trans-85.40171.6-74.8178.8179.7176.40110.4K417K417-K419 VanDerWaalsContact C-N 3.33Å

Retrieved 419 of 419 residues in 1830.2 ms (Link to these results)

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