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Actin, cytoplasmic 1

Actin is a highly conserved protein that polymerizes to produce filaments that form cross-linked networks in the cytoplasm of cells. Actin exists in both monomeric (G-actin) and polymeric (F-actin) forms, both forms playing key functions, such as cell motility and contraction. In addition to their role in the cytoplasmic cytoskeleton, G- and F-actin also localize in the nucleus, and regulate gene transcription and motility and repair of damaged DNA.

AlphaFold DB , UniProt , Accession P68142, Species TAKRU (Takifugu rubripes, Japanese pufferfish), Gene actba, Length 375 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
1M39.3Very low81.1Confident229 Ų22980.1 Ų80.1100%1.12841%0.408SS*.  0109.80-86.3162.1166.600103.9D3M1-D3 PolarHBondContact O-N 3.42Å
2E47.2Very low82.3Confident193 Ų19374.5 Ų74.590%0.90238%0.38SS*.  trans-57121.9158.4-74.6172.5162.800104.5E4E2-E4 PolarHBondContact O-N 3.07Å
3D57.8Low83.3Confident150 Ų15069.7 Ų69.780%0.80236%0.36SS*.  trans-57.6112.6176.4-71.6-41.9000106.2M1 I5M1-D3 PolarHBondContact O-N 3.42Å; D3-I5 PolarHBondContact O-N 3.04Å
4E75.1Confident84.1Confident156 Ų15665.3 Ų65.373%0.72934%0.338SS*.  trans-59.1116.6-178.1-166.4175.3-176.800107.1E2 A6E2-E4 PolarHBondContact O-N 3.07Å; E4-A6 PolarHBondContact O-N 3.48Å
5I87.8Confident84.9Confident105 Ų10561.6 Ų61.654%0.53832%0.323SS..  trans-60.9113.7-175.4-65.6177.2000108D3 A7 E100 H101D3-I5 PolarHBondContact O-N 3.04Å; I5-A7 PolarHBondContact O-N 2.93Å; I5-E100 WeakPolarHBondContact CG2-O 3.09Å; I5-H101 HydrophobicContact CG2-CB 4.44Å; I5-H101 WeakPolarHBondContact CG2-ND1 3.45Å
6A93.7Very high85.6Confident38 Ų3862.3 Ų62.331%0.31433%0.325SS..PPolyproline II helixtrans-65.2132.5179.100000110.7E4 F21 H101E4-A6 PolarHBondContact O-N 3.48Å; A6-F21 HydrophobicContact CB-CB 4.31Å; A6-F21 HydrophobicContact CB-CD1 4.05Å; A6-H101 PolarHBondContact O-ND1 2.89Å
7A97.5Very high86.3Confident7 Ų758.6 Ų58.66%0.05831%0.306CS..PPolyproline II helixtrans-67.9149.5173.700000111.1I5 F21 A22 P102 A347 W356I5-A7 PolarHBondContact O-N 2.93Å; A7-F21 CarbonylContact O-C 3.26Å; A7-F21 WeakPolarHBondContact O-CA 3.29Å; A7-A22 HydrophobicContact CB-CB 4.15Å; A7-A22 PolarHBondContact O-N 2.9Å; A7-P102 CarbonylContact C-O 3.55Å; A7-P102 VanDerWaalsContact CA-O 3.28Å; A7-P102 WeakPolarHBondContact CA-O 3.18Å; A7-P102 HydrophobicContact CB-CB 4.01Å; A7-A347 HydrophobicContact CB-CB 4.15Å; A7-W356 HydrophobicContact CB-CH2 3.83Å; A7-W356 HydrophobicContact CB-CZ2 3.64Å
8L98.4Very high87Confident0 Ų056.8 Ų56.80%030%0.295CS..EExtended strand (participates in β ladder)trans-89.4137170.9-53.9-179.1000109.5G20 F21 F90 L94 V96 H101 P102 V103 L104L8-G20 WeakPolarHBondContact CA-O 3.29Å; L8-F21 HydrophobicContact CD2-CD1 3.59Å; L8-F21 HydrophobicContact CD2-CE1 3.5Å; L8-F21 HydrophobicContact CD2-CE2 4.43Å; L8-F21 HydrophobicContact CD2-CG 4.14Å; L8-F21 HydrophobicContact CD2-CZ 3.97Å; L8-F90 HydrophobicContact CD1-CD1 3.76Å; L8-F90 HydrophobicContact CD1-CE1 3.86Å; L8-L94 HydrophobicContact CD1-CD1 4.25Å; L8-L94 HydrophobicContact CD2-CD1 4.13Å; L8-V96 HydrophobicContact CD1-CG2 3.74Å; L8-V96 HydrophobicContact CD2-CG2 4.34Å; L8-H101 HydrophobicContact CD1-CB 3.98Å; L8-H101 HydrophobicContact CD2-CB 4.39Å; L8-H101 HydrophobicContact CG-CB 3.74Å; L8-P102 PolarHBondContact N-O 3.3Å; L8-V103 HydrophobicContact CB-CG2 4.34Å; L8-V103 HydrophobicContact CD1-CG2 4.4Å; L8-V103 CarbonylContact O-C 3.48Å; L8-V103 WeakPolarHBondContact O-CA 3.41Å; L8-L104 PolarHBondContact O-N 3.18Å
9V98.7Very high87.6Confident0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-112.6120.4173.9179.30000108A19 G20 A22 L104 W340 A347V9-A19 VanDerWaalsContact O-CA 3.24Å; V9-A19 WeakPolarHBondContact O-CA 3.21Å; V9-G20 PolarHBondContact N-O 2.77Å; V9-G20 PolarHBondContact O-N 2.89Å; V9-G20 VanDerWaalsContact O-N 3.16Å; V9-A22 HydrophobicContact CG2-CB 4.26Å; V9-L104 HydrophobicContact CG1-CD2 4.17Å; V9-L104 HydrophobicContact CG2-CB 4.43Å; V9-W340 HydrophobicContact CG1-CG 4.25Å; V9-W340 PolarHBondContact O-NE1 2.88Å; V9-A347 HydrophobicContact CG2-CB 4.27Å
10V98.7Very high88.2Confident0 Ų051.1 Ų51.10%027%0.265CS..EExtended strand (participates in β ladder)trans-122103.9-178-176.80000109.5A19 T89 F90 V103 L104 L105 T106V10-A19 HydrophobicContact CG2-CB 4.3Å; V10-T89 HydrophobicContact CG1-CG2 4.34Å; V10-T89 HydrophobicContact CG2-CG2 4.18Å; V10-F90 HydrophobicContact CG2-CE1 3.95Å; V10-F90 HydrophobicContact CG2-CZ 4.47Å; V10-V103 HydrophobicContact CG2-CG1 4.24Å; V10-L104 PolarHBondContact N-O 2.77Å; V10-L105 HydrophobicContact CB-CD2 3.94Å; V10-L105 HydrophobicContact CG1-CD2 4.15Å; V10-T106 PolarHBondContact O-N 2.86Å; V10-T106 VanDerWaalsContact O-N 3.11Å
11D98.4Very high88.6Confident3 Ų349.6 Ų49.62%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-84.7108.2174.5176.232.2000111.1G13 C17 K18 T106 Q137 V339 W340D11-G13 PolarHBondContact O-N 3.25Å; D11-C17 WeakPolarHBondContact O-CA 3.49Å; D11-K18 HydrophobicContact CB-CB 4.16Å; D11-K18 PolarHBondContact N-O 2.8Å; D11-K18 PolarHBondContact O-N 2.84Å; D11-K18 VanDerWaalsContact O-N 3.07Å; D11-K18 IonicContact OD2-NZ 3.56Å; D11-K18 PolarHBondContact OD2-NZ 2.86Å; D11-T106 VanDerWaalsContact CA-OG1 3.25Å; D11-T106 WeakPolarHBondContact CA-OG1 3.32Å; D11-T106 HydrophobicContact CB-CG2 4.08Å; D11-T106 PolarHBondContact OD1-OG1 2.92Å; D11-Q137 PolarHBondContact OD1-NE2 3.49Å; D11-Q137 VanDerWaalsContact OD1-NE2 3.09Å; D11-V339 HydrophobicContact CB-CG1 4.19Å; D11-V339 VanDerWaalsContact OD1-CG1 3.29Å; D11-V339 WeakPolarHBondContact OD1-CG1 3.22Å; D11-W340 HydrophobicContact CB-CB 4.26Å
12N95.7Very high91.4Very high13 Ų1339.4 Ų39.47%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-87.278.8-176-58.5-58.6000111.4I71 M82 W86 L105 T106 Q137N12-I71 HydrophobicContact CB-CD1 4.19Å; N12-M82 HydrophobicContact CB-CE 4.31Å; N12-M82 VanDerWaalsContact OD1-CE 3.27Å; N12-M82 WeakPolarHBondContact OD1-CE 3.49Å; N12-W86 PolarHBondContact OD1-NE1 3.37Å; N12-L105 WeakPolarHBondContact ND2-CD2 3.45Å; N12-T106 PolarHBondContact N-OG1 2.95Å; N12-T106 PolarHBondContact ND2-O 3.06Å; N12-T106 VanDerWaalsContact ND2-O 3.13Å; N12-Q137 PolarHBondContact O-NE2 2.87Å
13G95.3Very high93.6Very high12 Ų1232.6 Ų32.612%0.12419%0.191CC..  trans-84.9148.7175.900000113.5D11 G15 M16 S33D11-G13 PolarHBondContact O-N 3.25Å; G13-G15 VanDerWaalsContact C-N 3.27Å; G13-G15 PolarHBondContact O-N 2.81Å; G13-M16 WeakPolarHBondContact CA-O 3.47Å; G13-M16 PolarHBondContact N-O 3.25Å; G13-S33 VanDerWaalsContact O-CB 3.27Å; G13-S33 WeakPolarHBondContact O-CB 3.3Å; G13-S33 PolarHBondContact O-OG 3.18Å
14S94.5Very high95.4Very high8 Ų827.9 Ų27.96%0.05617%0.166CC..SBendtrans-65.1-27.3178.4-49.30000115I71 G74 R183S14-I71 VanDerWaalsContact OG-CG2 3.3Å; S14-I71 WeakPolarHBondContact OG-CG2 3.33Å; S14-G74 WeakPolarHBondContact OG-CA 2.99Å; S14-G74 PolarHBondContact OG-N 3.35Å; S14-R183 PolarHBondContact O-NH2 2.97Å; S14-R183 VanDerWaalsContact O-NH2 3.12Å
15G94.9Very high96.3Very high10 Ų1027.9 Ų27.910%0.10317%0.171CC..SBendtrans-101.6-40.4176.400000112.7G13 P32 S33 D157G13-G15 VanDerWaalsContact C-N 3.27Å; G13-G15 PolarHBondContact O-N 2.81Å; G15-P32 WeakPolarHBondContact O-CA 3.36Å; G15-S33 PolarHBondContact O-N 2.87Å; G15-D157 WeakPolarHBondContact CA-OD2 3.29Å
16M96.6Very high96.7Very high72 Ų7225.4 Ų25.436%0.35517%0.166SC..EExtended strand (participates in β ladder)trans-137.4134.1-174.1-57.5-63.3-70.100110.7G13 V30 F31 P32G13-M16 WeakPolarHBondContact CA-O 3.47Å; G13-M16 PolarHBondContact N-O 3.25Å; M16-V30 HydrophobicContact CE-CG1 3.73Å; M16-F31 CarbonylContact C-O 3.54Å; M16-F31 WeakPolarHBondContact CA-O 3.47Å; M16-F31 VanDerWaalsContact CE-C 3.44Å; M16-P32 HydrophobicContact CE-CG 4.32Å; M16-P32 HydrophobicContact SD-CB 4.25Å; M16-P32 HydrophobicContact SD-CG 4.08Å
17C97.9Very high96.9Very high0 Ų024.5 Ų24.50%016%0.157CC..EExtended strand (participates in β ladder)trans-89.5141.7165.8-175.40000108.6D11 V30 F31 S33D11-C17 WeakPolarHBondContact O-CA 3.49Å; C17-V30 WeakPolarHBondContact O-CA 3.46Å; C17-F31 HydrophobicContact CB-CD1 4.43Å; C17-F31 HydrophobicContact CB-CD2 4.39Å; C17-F31 HydrophobicContact CB-CE1 3.88Å; C17-F31 HydrophobicContact CB-CE2 3.83Å; C17-F31 HydrophobicContact CB-CZ 3.55Å; C17-F31 PolarHBondContact N-O 3.3Å; C17-F31 PolarHBondContact O-N 2.98Å; C17-S33 PolarHBondContact N-OG 2.91Å
18K98.6Very high96.9Very high26 Ų2631.4 Ų31.411%0.11318%0.181CC..EExtended strand (participates in β ladder)trans-129.8131.2175-44.4175.3-165.368.10108.8D11 P27 A29 V30 K336 Y337 W340D11-K18 HydrophobicContact CB-CB 4.16Å; D11-K18 PolarHBondContact N-O 2.8Å; D11-K18 PolarHBondContact O-N 2.84Å; D11-K18 VanDerWaalsContact O-N 3.07Å; D11-K18 IonicContact OD2-NZ 3.56Å; D11-K18 PolarHBondContact OD2-NZ 2.86Å; K18-P27 HydrophobicContact CB-CB 4.05Å; K18-P27 HydrophobicContact CB-CG 4.35Å; K18-A29 CarbonylContact C-O 3.54Å; K18-A29 VanDerWaalsContact CA-O 3.28Å; K18-A29 WeakPolarHBondContact CA-O 3.39Å; K18-V30 HydrophobicContact CB-CG2 4.28Å; K18-V30 HydrophobicContact CG-CG1 4.22Å; K18-V30 HydrophobicContact CG-CG2 4.14Å; K18-K336 WeakPolarHBondContact CE-O 3.11Å; K18-Y337 HydrophobicContact CD-CD1 3.74Å; K18-Y337 HydrophobicContact CD-CE1 4.27Å; K18-W340 HydrophobicContact CB-CB 4.46Å; K18-W340 HydrophobicContact CB-CG 4.45Å
19A98.7Very high96.9Very high0 Ų031.6 Ų31.60%018%0.183CC..EExtended strand (participates in β ladder)trans-142153-176.100000112.3V9 V10 P27 R28 A29 T89 L94V9-A19 VanDerWaalsContact O-CA 3.24Å; V9-A19 WeakPolarHBondContact O-CA 3.21Å; V10-A19 HydrophobicContact CG2-CB 4.3Å; A19-P27 CarbonylContact O-C 3.19Å; A19-R28 PolarHBondContact O-N 2.8Å; A19-A29 PolarHBondContact N-O 3.26Å; A19-A29 PolarHBondContact O-N 2.98Å; A19-T89 HydrophobicContact CB-CG2 3.29Å; A19-L94 HydrophobicContact CB-CD1 4.01Å; A19-L94 HydrophobicContact CB-CD2 4.28Å; A19-L94 HydrophobicContact CB-CG 4.27Å
20G98.5Very high96.8Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans176.4-169.8178.900000111L8 V9L8-G20 WeakPolarHBondContact CA-O 3.29Å; V9-G20 PolarHBondContact N-O 2.77Å; V9-G20 PolarHBondContact O-N 2.89Å; V9-G20 VanDerWaalsContact O-N 3.16Å
21F98Very high96.8Very high19 Ų1934 Ų348%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-98.2143.5-178-63.4-103.1000109.9A6 A7 L8 D24 R28 L94 V96 H101A6-F21 HydrophobicContact CB-CB 4.31Å; A6-F21 HydrophobicContact CB-CD1 4.05Å; A7-F21 CarbonylContact O-C 3.26Å; A7-F21 WeakPolarHBondContact O-CA 3.29Å; L8-F21 HydrophobicContact CD2-CD1 3.59Å; L8-F21 HydrophobicContact CD2-CE1 3.5Å; L8-F21 HydrophobicContact CD2-CE2 4.43Å; L8-F21 HydrophobicContact CD2-CG 4.14Å; L8-F21 HydrophobicContact CD2-CZ 3.97Å; F21-D24 WeakPolarHBondContact O-CB 3.45Å; F21-D24 PolarHBondContact O-N 3.11Å; F21-R28 HydrophobicContact CD2-CG 4.38Å; F21-R28 VanDerWaalsContact CD2-NE 3.26Å; F21-R28 VanDerWaalsContact CE2-CZ 3.46Å; F21-L94 HydrophobicContact CE2-CD2 4.38Å; F21-V96 HydrophobicContact CE1-CG1 4.17Å; F21-V96 HydrophobicContact CZ-CG1 3.62Å; F21-H101 AromaticContact CE1-CE1 3.9Å
22A96.9Very high96.8Very high15 Ų1534.6 Ų34.612%0.12420%0.201CC..THydrogen-bonded Turntrans-59.7137.7170.500000110.3A7 V9 A347A7-A22 HydrophobicContact CB-CB 4.15Å; A7-A22 PolarHBondContact O-N 2.9Å; V9-A22 HydrophobicContact CG2-CB 4.26Å; A22-A347 HydrophobicContact CB-CB 3.63Å
23G94.4Very high96.9Very high51 Ų5134 Ų3453%0.52620%0.198SC..THydrogen-bonded Turntrans91.2-15.3-173.800000114.8S344G23-S344 PolarHBondContact N-OG 3.29Å
24D95.8Very high97Very high50 Ų5033.4 Ų33.427%0.26719%0.193SC..  trans-74.4146.4170.4-71.6-13.4000110.2F21 A26 R28 W340 S344F21-D24 WeakPolarHBondContact O-CB 3.45Å; F21-D24 PolarHBondContact O-N 3.11Å; D24-A26 VanDerWaalsContact C-N 3.32Å; D24-A26 PolarHBondContact O-N 3.29Å; D24-R28 IonicContact OD1-NH2 3.37Å; D24-R28 PolarHBondContact OD1-NH2 3.35Å; D24-R28 IonicContact OD2-CZ 2.77Å; D24-R28 VanDerWaalsContact OD2-CZ 3.32Å; D24-R28 IonicContact OD2-NE 2.92Å; D24-R28 PolarHBondContact OD2-NE 3.46Å; D24-R28 IonicContact OD2-NH2 3.59Å; D24-R28 PolarHBondContact OD2-NH2 3.43Å; D24-W340 HydrophobicContact CB-CH2 3.87Å; D24-W340 WeakPolarHBondContact O-CH2 3.38Å; D24-W340 WeakPolarHBondContact O-CZ3 3.3Å; D24-S344 PolarHBondContact N-OG 2.72Å; D24-S344 PolarHBondContact O-OG 2.88Å
25D93.3Very high97.1Very high157 Ų15733 Ų3384%0.8419%0.19SC*.SBendtrans-75.2-18.4-179.3-67.6-41.7000113.8
26A95.8Very high97.2Very high53 Ų5332.6 Ų32.644%0.43819%0.185SC..SBendtrans-150.1153.4-177.300000111.1D24 R28 W340D24-A26 VanDerWaalsContact C-N 3.32Å; D24-A26 PolarHBondContact O-N 3.29Å; A26-R28 PolarHBondContact O-N 2.99Å; A26-W340 VanDerWaalsContact C-CH2 3.41Å; A26-W340 VanDerWaalsContact O-CH2 3.26Å; A26-W340 WeakPolarHBondContact O-CH2 3.33Å; A26-W340 WeakPolarHBondContact O-CZ3 3.29Å
27P97.8Very high97.1Very high19 Ų1933 Ų3312%0.12318%0.183CC..  trans-61.3138.2176.525.7-33.9000110.6K18 A19 A29 V30 Y337 W340K18-P27 HydrophobicContact CB-CB 4.05Å; K18-P27 HydrophobicContact CB-CG 4.35Å; A19-P27 CarbonylContact O-C 3.19Å; P27-A29 VanDerWaalsContact C-N 3.32Å; P27-V30 HydrophobicContact CB-CG2 4.07Å; P27-V30 HydrophobicContact CG-CG2 3.63Å; P27-Y337 HydrophobicContact CG-CD1 4.15Å; P27-Y337 HydrophobicContact CG-CE1 4.41Å; P27-Y337 HydrophobicContact CG-CG 4.34Å; P27-W340 HydrophobicContact CB-CD2 3.73Å; P27-W340 HydrophobicContact CB-CE3 4.18Å; P27-W340 HydrophobicContact CB-CG 3.97Å; P27-W340 HydrophobicContact CB-CZ2 4.46Å; P27-W340 HydrophobicContact CG-CD2 4.3Å; P27-W340 HydrophobicContact CG-CE3 4.39Å; P27-W340 HydrophobicContact CG-CG 4.5Å
28R97.7Very high96.8Very high151 Ų15135.2 Ų35.257%0.5720%0.197SC*.SBendtrans-72.5-27.9174.7-66.4-161.5-176.1176.15.3112.7A19 F21 D24 A26 L94A19-R28 PolarHBondContact O-N 2.8Å; F21-R28 HydrophobicContact CD2-CG 4.38Å; F21-R28 VanDerWaalsContact CD2-NE 3.26Å; F21-R28 VanDerWaalsContact CE2-CZ 3.46Å; D24-R28 IonicContact OD1-NH2 3.37Å; D24-R28 PolarHBondContact OD1-NH2 3.35Å; D24-R28 IonicContact OD2-CZ 2.77Å; D24-R28 VanDerWaalsContact OD2-CZ 3.32Å; D24-R28 IonicContact OD2-NE 2.92Å; D24-R28 PolarHBondContact OD2-NE 3.46Å; D24-R28 IonicContact OD2-NH2 3.59Å; D24-R28 PolarHBondContact OD2-NH2 3.43Å; A26-R28 PolarHBondContact O-N 2.99Å; R28-L94 HydrophobicContact CB-CD2 3.97Å
29A98.2Very high96.3Very high4 Ų439.8 Ų39.83%0.03321%0.213CC..EExtended strand (participates in β ladder)trans-133.4137.5-179.200000110.9K18 A19 P27 F31 E93K18-A29 CarbonylContact C-O 3.54Å; K18-A29 VanDerWaalsContact CA-O 3.28Å; K18-A29 WeakPolarHBondContact CA-O 3.39Å; A19-A29 PolarHBondContact N-O 3.26Å; A19-A29 PolarHBondContact O-N 2.98Å; P27-A29 VanDerWaalsContact C-N 3.32Å; A29-F31 HydrophobicContact CB-CD1 4.42Å; A29-E93 HydrophobicContact CB-CB 3.65Å; A29-E93 HydrophobicContact CB-CG 4.23Å
30V98Very high95.5Very high50 Ų5046 Ų4630%0.30324%0.242SC..EExtended strand (participates in β ladder)trans-141.5109.9173.2179.60000107.6M16 C17 K18 P27 Y337M16-V30 HydrophobicContact CE-CG1 3.73Å; C17-V30 WeakPolarHBondContact O-CA 3.46Å; K18-V30 HydrophobicContact CB-CG2 4.28Å; K18-V30 HydrophobicContact CG-CG1 4.22Å; K18-V30 HydrophobicContact CG-CG2 4.14Å; P27-V30 HydrophobicContact CB-CG2 4.07Å; P27-V30 HydrophobicContact CG-CG2 3.63Å; V30-Y337 HydrophobicContact CG2-CE1 4.09Å
31F98.1Very high94.2Very high0 Ų055.7 Ų55.70%029%0.288CS..EExtended strand (participates in β ladder)trans-141.9157.2-17464.8-89.3000111.7M16 C17 A29 S33 V54 I85 H88 T89 E93M16-F31 CarbonylContact C-O 3.54Å; M16-F31 WeakPolarHBondContact CA-O 3.47Å; M16-F31 VanDerWaalsContact CE-C 3.44Å; C17-F31 HydrophobicContact CB-CD1 4.43Å; C17-F31 HydrophobicContact CB-CD2 4.39Å; C17-F31 HydrophobicContact CB-CE1 3.88Å; C17-F31 HydrophobicContact CB-CE2 3.83Å; C17-F31 HydrophobicContact CB-CZ 3.55Å; C17-F31 PolarHBondContact N-O 3.3Å; C17-F31 PolarHBondContact O-N 2.98Å; A29-F31 HydrophobicContact CB-CD1 4.42Å; F31-S33 PolarHBondContact O-N 2.98Å; F31-V54 HydrophobicContact CE2-CG1 4.31Å; F31-I85 HydrophobicContact CE2-CG2 4.11Å; F31-I85 HydrophobicContact CZ-CG2 4.17Å; F31-H88 AromaticContact CE2-CD2 3.74Å; F31-H88 AromaticContact CZ-CD2 3.97Å; F31-T89 VanDerWaalsContact CZ-OG1 3.31Å; F31-T89 WeakPolarHBondContact CZ-OG1 3.5Å; F31-E93 HydrophobicContact CD1-CG 3.77Å; F31-E93 HydrophobicContact CE1-CG 3.81Å
32P97.6Very high92.7Very high16 Ų1656.7 Ų56.710%0.10430%0.303CS..EExtended strand (participates in β ladder)trans-60.9134.2179.7-25.535.2000113.4G15 M16 I34 G55 D56G15-P32 WeakPolarHBondContact O-CA 3.36Å; M16-P32 HydrophobicContact CE-CG 4.32Å; M16-P32 HydrophobicContact SD-CB 4.25Å; M16-P32 HydrophobicContact SD-CG 4.08Å; P32-I34 HydrophobicContact CB-CD1 3.9Å; P32-I34 HydrophobicContact CB-CG1 3.94Å; P32-I34 HydrophobicContact CB-CG2 4.31Å; P32-I34 PolarHBondContact O-N 2.93Å; P32-G55 WeakPolarHBondContact O-CA 3.44Å; P32-D56 WeakPolarHBondContact CD-OD1 3.38Å
33S97.5Very high91Very high0 Ų059.8 Ų59.80%032%0.32CS..  trans-7862.9177.6-61.40000111.6G13 G15 C17 F31 P70G13-S33 VanDerWaalsContact O-CB 3.27Å; G13-S33 WeakPolarHBondContact O-CB 3.3Å; G13-S33 PolarHBondContact O-OG 3.18Å; G15-S33 PolarHBondContact O-N 2.87Å; C17-S33 PolarHBondContact N-OG 2.91Å; F31-S33 PolarHBondContact O-N 2.98Å; S33-P70 WeakPolarHBondContact O-CD 3.32Å
34I97.2Very high89.5Confident1 Ų157.7 Ų57.71%0.00530%0.297CS..  trans-133.1149.4-173.467.6-177.4000112.5P32 V54 G55 A58 Q59 L67 K68 Y69P32-I34 HydrophobicContact CB-CD1 3.9Å; P32-I34 HydrophobicContact CB-CG1 3.94Å; P32-I34 HydrophobicContact CB-CG2 4.31Å; P32-I34 PolarHBondContact O-N 2.93Å; I34-V54 WeakPolarHBondContact O-CA 3.44Å; I34-G55 PolarHBondContact O-N 2.81Å; I34-G55 VanDerWaalsContact O-N 3.13Å; I34-A58 HydrophobicContact CD1-CB 4.07Å; I34-A58 HydrophobicContact CG1-CB 3.98Å; I34-Q59 HydrophobicContact CD1-CB 3.97Å; I34-Q59 VanDerWaalsContact CD1-OE1 3.26Å; I34-L67 HydrophobicContact CD1-CD1 4.19Å; I34-K68 WeakPolarHBondContact CA-O 3.38Å; I34-Y69 HydrophobicContact CG2-CD1 3.48Å; I34-Y69 VanDerWaalsContact CG2-CD1 3.48Å; I34-Y69 HydrophobicContact CG2-CE1 3.22Å; I34-Y69 HydrophobicContact CG2-CE2 4.44Å; I34-Y69 HydrophobicContact CG2-CG 4.21Å
35V98.1Very high87.7Confident0 Ų061 Ų610%032%0.318CS..EExtended strand (participates in β ladder)trans-122126.3170.6-176.50000109.1Y53 V54 K68 D81 K84 I85V35-Y53 CarbonylContact C-O 3.56Å; V35-Y53 WeakPolarHBondContact CA-O 3.27Å; V35-V54 HydrophobicContact CG2-CG2 4.39Å; V35-K68 PolarHBondContact N-O 2.98Å; V35-K68 PolarHBondContact O-N 3.21Å; V35-D81 HydrophobicContact CB-CB 4.29Å; V35-D81 HydrophobicContact CG2-CB 3.79Å; V35-K84 HydrophobicContact CG1-CD 4.1Å; V35-K84 HydrophobicContact CG2-CB 4.46Å; V35-I85 HydrophobicContact CG2-CD1 4.45Å; V35-I85 HydrophobicContact CG2-CG1 4.03Å
36G96.4Very high86.3Confident0 Ų057.4 Ų57.40%032%0.319CS..EExtended strand (participates in β ladder)trans-108.9136.1178.200000112.4S52 Y53 T66G36-S52 CarbonylContact O-C 3.56Å; G36-S52 VanDerWaalsContact O-CA 3.32Å; G36-S52 WeakPolarHBondContact O-CA 3.47Å; G36-Y53 PolarHBondContact N-O 2.94Å; G36-Y53 PolarHBondContact O-N 3.3Å; G36-T66 WeakPolarHBondContact CA-O 3.48Å
37R94.7Very high84.7Confident82 Ų8261.7 Ų61.731%0.30933%0.331SS..EExtended strand (participates in β ladder)trans-122.8140.5175-68.2178.1174.883.4-9.4111.2R39 L65 T66 D81R37-R39 PolarHBondContact O-N 3.15Å; R37-L65 CarbonylContact O-C 3.58Å; R37-L65 WeakPolarHBondContact O-CA 3.34Å; R37-T66 PolarHBondContact N-O 3.15Å; R37-T66 PolarHBondContact O-N 3.41Å; R37-D81 IonicContact CZ-OD1 3.87Å; R37-D81 VanDerWaalsContact CZ-OD1 3.26Å; R37-D81 IonicContact CZ-OD2 3.06Å; R37-D81 IonicContact NH1-OD1 2.78Å; R37-D81 PolarHBondContact NH1-OD1 3.41Å; R37-D81 IonicContact NH1-OD2 3.42Å; R37-D81 PolarHBondContact NH1-OD2 3.41Å; R37-D81 IonicContact NH2-OD1 3.17Å; R37-D81 PolarHBondContact NH2-OD1 3.31Å; R37-D81 IonicContact NH2-OD2 3.33Å
38P91.9Very high83.1Confident45 Ų4563.2 Ų63.229%0.29235%0.35SS..EExtended strand (participates in β ladder)trans-56.2133.2180-25.634.9000112.7M44 Y53 L65P38-M44 HydrophobicContact CB-SD 4.38Å; P38-M44 HydrophobicContact CG-CE 4.28Å; P38-M44 HydrophobicContact CG-SD 3.79Å; P38-Y53 HydrophobicContact CG-CE2 4.2Å; P38-L65 HydrophobicContact CB-CD2 4.39Å; P38-L65 HydrophobicContact CG-CD2 4.11Å
39R88Confident81.8Confident122 Ų12262 Ų6246%0.4635%0.351SS..SBendtrans-69.8-33178.5-72.9-179.7-171.3-176.28.7113.4R37 R62 I64 L65 T66R37-R39 PolarHBondContact O-N 3.15Å; R39-R62 PolarHBondContact NH2-O 3.04Å; R39-I64 PolarHBondContact N-O 3.06Å; R39-I64 VanDerWaalsContact N-O 3.07Å; R39-L65 PolarHBondContact NE-O 3.09Å; R39-L65 PolarHBondContact NH2-O 2.88Å; R39-T66 WeakPolarHBondContact CG-OG1 3.4Å
40H81.5Confident81.1Confident132 Ų13266.4 Ų66.461%0.61137%0.37SS*.SBendtrans-135.7136.5-179.4-51.6-65.8000109.4V43H40-V43 HydrophobicContact CB-CG2 3.68Å
41Q70.9Confident80.6Confident203 Ų20371.1 Ų71.195%0.94939%0.393SS*.THydrogen-bonded Turntrans-63.7135.7172.3-71.9-179.9-12.500109.4
42G67.4Low80.4Confident40 Ų4072.5 Ų72.541%0.41240%0.403SS..THydrogen-bonded Turntrans92.2-10.9176.600000116.7M44 V45G42-M44 PolarHBondContact O-N 3.17Å; G42-M44 VanDerWaalsContact O-N 3.07Å; G42-V45 VanDerWaalsContact O-CG2 3.27Å; G42-V45 WeakPolarHBondContact O-CG2 3.34Å; G42-V45 PolarHBondContact O-N 2.84Å
43V61.3Low80.3Confident80 Ų8072 Ų7249%0.48540%0.399SS..THydrogen-bonded Turntrans-64-17.8176.9-178.10000112.3H40 I64H40-V43 HydrophobicContact CB-CG2 3.68Å; V43-I64 HydrophobicContact CG1-CB 4.42Å; V43-I64 HydrophobicContact CG1-CG2 4.17Å
44M61.7Low80.4Confident6 Ų672.5 Ų72.53%0.0340%0.402CS..THydrogen-bonded Turntrans-107.920.7-176.7-67.1179.2163.900114.1P38 G42 G46 M47 Q49 Y53 K61 I64 L65P38-M44 HydrophobicContact CB-SD 4.38Å; P38-M44 HydrophobicContact CG-CE 4.28Å; P38-M44 HydrophobicContact CG-SD 3.79Å; G42-M44 PolarHBondContact O-N 3.17Å; G42-M44 VanDerWaalsContact O-N 3.07Å; M44-G46 PolarHBondContact O-N 3.29Å; M44-M47 PolarHBondContact O-N 2.86Å; M44-M47 VanDerWaalsContact O-N 3.11Å; M44-Q49 HydrophobicContact CB-CG 3.89Å; M44-Y53 HydrophobicContact CE-CD2 4.34Å; M44-Y53 HydrophobicContact CE-CE2 3.52Å; M44-Y53 HydrophobicContact SD-CE2 3.62Å; M44-Y53 PolarHBondContact SD-OH 2.67Å; M44-K61 HydrophobicContact CE-CD 4.12Å; M44-I64 HydrophobicContact CE-CD1 3.51Å; M44-I64 HydrophobicContact CE-CG1 4.1Å; M44-I64 HydrophobicContact CG-CD1 4.44Å; M44-L65 HydrophobicContact CE-CD2 3.59Å; M44-L65 HydrophobicContact CE-CG 4.46Å
45V58.2Low80.4Confident119 Ų11972.5 Ų72.572%0.72140%0.402SS*.THydrogen-bonded Turntrans-56.5115.3174172.50000109.1G42G42-V45 VanDerWaalsContact O-CG2 3.27Å; G42-V45 WeakPolarHBondContact O-CG2 3.34Å; G42-V45 PolarHBondContact O-N 2.84Å
46G63.7Low80.3Confident82 Ų8276.7 Ų76.785%0.84542%0.424SS*.THydrogen-bonded Turntrans100.1-12.4179.800000116.5M44M44-G46 PolarHBondContact O-N 3.29Å
47M62.2Low80.2Confident143 Ų14379.5 Ų79.570%0.70444%0.438SS*.SBendtrans-97.97-177.8-65.6-170.1108.300114.8M44M44-M47 PolarHBondContact O-N 2.86Å; M44-M47 VanDerWaalsContact O-N 3.11Å
48G64.3Low80.3Confident51 Ų5175.6 Ų75.653%0.52642%0.423SS..  trans74.490.9-169.300000110.2K50 Y53G48-K50 PolarHBondContact O-N 3.12Å; G48-Y53 PolarHBondContact O-OH 3.16Å
49Q70.4Confident80.4Confident125 Ų12575.5 Ų75.558%0.58442%0.418SS*.  trans-67.8102.4-178.7-77.4-179-13.500110.4M44M44-Q49 HydrophobicContact CB-CG 3.89Å
50K83.6Confident80.6Confident97 Ų9774.1 Ų74.142%0.42243%0.428SS..  trans-91.6145.3161.6-58.8-179.3-172.6171.40109.6G48 S52 Y53 E57G48-K50 PolarHBondContact O-N 3.12Å; K50-S52 PolarHBondContact O-N 3.17Å; K50-Y53 HydrophobicContact CB-CE1 4.12Å; K50-Y53 HydrophobicContact CB-CE2 4.28Å; K50-Y53 HydrophobicContact CD-CD1 4.35Å; K50-Y53 HydrophobicContact CD-CE1 4.05Å; K50-Y53 HydrophobicContact CG-CE1 4.33Å; K50-Y53 PolarHBondContact N-OH 3.14Å; K50-E57 IonicContact NZ-OE1 3.76Å; K50-E57 IonicContact NZ-OE2 2.78Å; K50-E57 PolarHBondContact NZ-OE2 2.64Å
51D88.3Confident81.1Confident149 Ų14970.1 Ų70.180%0.79741%0.409SS*.SBendtrans-69-26.4174.7-65.7-31.8000112.5
52S94Very high82Confident30 Ų3061.3 Ų61.321%0.2137%0.367CS..  trans-148.7152178.656.80000112.3G36 K50 K84G36-S52 CarbonylContact O-C 3.56Å; G36-S52 VanDerWaalsContact O-CA 3.32Å; G36-S52 WeakPolarHBondContact O-CA 3.47Å; K50-S52 PolarHBondContact O-N 3.17Å; S52-K84 WeakPolarHBondContact OG-CD 3.37Å
53Y95.8Very high83Confident6 Ų662.6 Ų62.62%0.02438%0.38CS..EExtended strand (participates in β ladder)trans-121.7150.2175.8-60.6-88.2000108.4V35 G36 P38 M44 G48 K50 E57 K61 L65V35-Y53 CarbonylContact C-O 3.56Å; V35-Y53 WeakPolarHBondContact CA-O 3.27Å; G36-Y53 PolarHBondContact N-O 2.94Å; G36-Y53 PolarHBondContact O-N 3.3Å; P38-Y53 HydrophobicContact CG-CE2 4.2Å; M44-Y53 HydrophobicContact CE-CD2 4.34Å; M44-Y53 HydrophobicContact CE-CE2 3.52Å; M44-Y53 HydrophobicContact SD-CE2 3.62Å; M44-Y53 PolarHBondContact SD-OH 2.67Å; G48-Y53 PolarHBondContact O-OH 3.16Å; K50-Y53 HydrophobicContact CB-CE1 4.12Å; K50-Y53 HydrophobicContact CB-CE2 4.28Å; K50-Y53 HydrophobicContact CD-CD1 4.35Å; K50-Y53 HydrophobicContact CD-CE1 4.05Å; K50-Y53 HydrophobicContact CG-CE1 4.33Å; K50-Y53 PolarHBondContact N-OH 3.14Å; Y53-E57 VanDerWaalsContact CD1-CD 3.42Å; Y53-E57 HydrophobicContact CD1-CG 3.79Å; Y53-E57 VanDerWaalsContact CD1-OE1 3.23Å; Y53-E57 WeakPolarHBondContact CD1-OE1 3.15Å; Y53-E57 VanDerWaalsContact CE1-OE1 3.3Å; Y53-E57 WeakPolarHBondContact CE1-OE1 3.34Å; Y53-K61 HydrophobicContact CD1-CD 4.14Å; Y53-K61 HydrophobicContact CE1-CD 4.06Å; Y53-L65 HydrophobicContact CD2-CD1 3.7Å; Y53-L65 HydrophobicContact CD2-CD2 3.73Å; Y53-L65 HydrophobicContact CD2-CG 4.41Å; Y53-L65 HydrophobicContact CE2-CD2 4.04Å; Y53-L65 HydrophobicContact CG-CD1 3.91Å
54V97.8Very high84.3Confident10 Ų1061.9 Ų61.96%0.06137%0.373CS..EExtended strand (participates in β ladder)trans-129.2151.2-178-177.30000109.5F31 I34 V35 E57 A58 K84 I85 H88F31-V54 HydrophobicContact CE2-CG1 4.31Å; I34-V54 WeakPolarHBondContact O-CA 3.44Å; V35-V54 HydrophobicContact CG2-CG2 4.39Å; V54-E57 WeakPolarHBondContact O-CB 3.34Å; V54-E57 PolarHBondContact O-N 3.15Å; V54-A58 PolarHBondContact O-N 2.89Å; V54-K84 HydrophobicContact CG2-CB 4.19Å; V54-I85 HydrophobicContact CG1-CG1 3.93Å; V54-H88 HydrophobicContact CB-CB 3.89Å; V54-H88 HydrophobicContact CG1-CB 3.67Å; V54-H88 HydrophobicContact CG2-CB 4.24Å
55G97.4Very high85.8Confident0 Ų061.6 Ų61.60%037%0.371CS..Hα-helixtrans63.1-138.1168.700000114P32 I34 E57 A58 Q59P32-G55 WeakPolarHBondContact O-CA 3.44Å; I34-G55 PolarHBondContact O-N 2.81Å; I34-G55 VanDerWaalsContact O-N 3.13Å; G55-E57 PolarHBondContact O-N 2.89Å; G55-A58 WeakPolarHBondContact O-CB 3.2Å; G55-A58 PolarHBondContact O-N 3.39Å; G55-Q59 PolarHBondContact O-N 3.33Å
56D96.6Very high87.4Confident88 Ų8859.2 Ų59.247%0.47136%0.357SS..Hα-helixtrans-62.2-29.6-179.3-67.1-41000112.4P32 Q59 S60P32-D56 WeakPolarHBondContact CD-OD1 3.38Å; D56-Q59 PolarHBondContact O-N 3.01Å; D56-S60 WeakPolarHBondContact O-CB 3.34Å; D56-S60 PolarHBondContact O-N 3.01Å; D56-S60 PolarHBondContact O-OG 3.33Å
57E94.9Very high88.9Confident59 Ų5956.8 Ų56.828%0.27633%0.325SS..Hα-helixtrans-65.7-40.2174.7-164.5-177178.600111.3K50 Y53 V54 G55 S60 K61K50-E57 IonicContact NZ-OE1 3.76Å; K50-E57 IonicContact NZ-OE2 2.78Å; K50-E57 PolarHBondContact NZ-OE2 2.64Å; Y53-E57 VanDerWaalsContact CD1-CD 3.42Å; Y53-E57 HydrophobicContact CD1-CG 3.79Å; Y53-E57 VanDerWaalsContact CD1-OE1 3.23Å; Y53-E57 WeakPolarHBondContact CD1-OE1 3.15Å; Y53-E57 VanDerWaalsContact CE1-OE1 3.3Å; Y53-E57 WeakPolarHBondContact CE1-OE1 3.34Å; V54-E57 WeakPolarHBondContact O-CB 3.34Å; V54-E57 PolarHBondContact O-N 3.15Å; G55-E57 PolarHBondContact O-N 2.89Å; E57-S60 PolarHBondContact O-OG 3.05Å; E57-S60 VanDerWaalsContact O-OG 3.07Å; E57-K61 WeakPolarHBondContact O-CG 3.05Å; E57-K61 IonicContact OE1-NZ 3.66Å; E57-K61 PolarHBondContact OE1-NZ 3.13Å
58A95.5Very high90.6Very high0 Ų055.1 Ų55.10%031%0.313CS..Hα-helixtrans-69.9-41173.500000111.5I34 V54 G55 K61 R62 L65 L67I34-A58 HydrophobicContact CD1-CB 4.07Å; I34-A58 HydrophobicContact CG1-CB 3.98Å; V54-A58 PolarHBondContact O-N 2.89Å; G55-A58 WeakPolarHBondContact O-CB 3.2Å; G55-A58 PolarHBondContact O-N 3.39Å; A58-K61 CarbonylContact O-C 3.6Å; A58-K61 PolarHBondContact O-N 2.81Å; A58-R62 PolarHBondContact O-N 3.27Å; A58-L65 HydrophobicContact CB-CD1 4.39Å; A58-L67 HydrophobicContact CB-CD2 4Å
59Q94Very high92.1Very high43 Ų4355.3 Ų55.320%0.20130%0.299CS..Hα-helixtrans-62.1-48.3-178.5-172.562.79.800112I34 G55 D56 K61 R62 E207I34-Q59 HydrophobicContact CD1-CB 3.97Å; I34-Q59 VanDerWaalsContact CD1-OE1 3.26Å; G55-Q59 PolarHBondContact O-N 3.33Å; D56-Q59 PolarHBondContact O-N 3.01Å; Q59-K61 PolarHBondContact O-N 2.76Å; Q59-R62 VanDerWaalsContact NE2-NH2 3.19Å; Q59-R62 VanDerWaalsContact O-CB 3.29Å; Q59-R62 WeakPolarHBondContact O-CB 3.42Å; Q59-R62 PolarHBondContact O-N 3.01Å; Q59-R62 VanDerWaalsContact O-N 3.16Å; Q59-E207 VanDerWaalsContact NE2-CG 3.3Å; Q59-E207 PolarHBondContact NE2-OE1 3.5Å; Q59-E207 PolarHBondContact NE2-OE2 3.07Å
60S92.5Very high93.3Very high94 Ų9449.4 Ų49.466%0.65727%0.271SS*.Hα-helixtrans-62.4-24.9178.456.20000113.4D56 E57D56-S60 WeakPolarHBondContact O-CB 3.34Å; D56-S60 PolarHBondContact O-N 3.01Å; D56-S60 PolarHBondContact O-OG 3.33Å; E57-S60 PolarHBondContact O-OG 3.05Å; E57-S60 VanDerWaalsContact O-OG 3.07Å
61K91.6Very high94Very high48 Ų4845 Ų4521%0.20925%0.252CS..THydrogen-bonded Turntrans-101.614.7179.3-62.5-176.4-179.690.30113.4M44 Y53 E57 A58 Q59 G63 I64 L65M44-K61 HydrophobicContact CE-CD 4.12Å; Y53-K61 HydrophobicContact CD1-CD 4.14Å; Y53-K61 HydrophobicContact CE1-CD 4.06Å; E57-K61 WeakPolarHBondContact O-CG 3.05Å; E57-K61 IonicContact OE1-NZ 3.66Å; E57-K61 PolarHBondContact OE1-NZ 3.13Å; A58-K61 CarbonylContact O-C 3.6Å; A58-K61 PolarHBondContact O-N 2.81Å; Q59-K61 PolarHBondContact O-N 2.76Å; K61-G63 PolarHBondContact O-N 3.32Å; K61-I64 HydrophobicContact CB-CG1 4.24Å; K61-I64 VanDerWaalsContact O-CG1 3.32Å; K61-I64 WeakPolarHBondContact O-CG1 3.46Å; K61-I64 PolarHBondContact O-N 3.21Å; K61-L65 HydrophobicContact CB-CD1 3.54Å; K61-L65 HydrophobicContact CB-CG 3.83Å; K61-L65 WeakPolarHBondContact O-CG 3.39Å; K61-L65 PolarHBondContact O-N 3.07Å; K61-L65 VanDerWaalsContact O-N 3.13Å
62R91Very high94.2Very high18 Ų1842.4 Ų42.47%0.06824%0.235CC..THydrogen-bonded Turntrans-50.2-34.2-176.5179.5175.4-69.4-132.3-1.6114.7R39 A58 Q59 I64 L65 L67 Y69 T203 E207R39-R62 PolarHBondContact NH2-O 3.04Å; A58-R62 PolarHBondContact O-N 3.27Å; Q59-R62 VanDerWaalsContact NE2-NH2 3.19Å; Q59-R62 VanDerWaalsContact O-CB 3.29Å; Q59-R62 WeakPolarHBondContact O-CB 3.42Å; Q59-R62 PolarHBondContact O-N 3.01Å; Q59-R62 VanDerWaalsContact O-N 3.16Å; R62-I64 VanDerWaalsContact C-N 3.25Å; R62-I64 PolarHBondContact O-N 2.84Å; R62-L65 PolarHBondContact O-N 3.42Å; R62-L65 VanDerWaalsContact O-O 3.07Å; R62-L67 HydrophobicContact CB-CD1 3.85Å; R62-L67 HydrophobicContact CG-CD1 3.59Å; R62-L67 HydrophobicContact CG-CG 4.32Å; R62-L67 VanDerWaalsContact CZ-CD1 3.48Å; R62-Y69 PolarHBondContact NH2-OH 2.98Å; R62-T203 PolarHBondContact NH1-O 2.78Å; R62-E207 IonicContact CZ-OE1 3.06Å; R62-E207 VanDerWaalsContact CZ-OE1 3.24Å; R62-E207 IonicContact NH1-OE1 3.28Å; R62-E207 PolarHBondContact NH1-OE1 2.93Å; R62-E207 IonicContact NH2-OE1 2.73Å; R62-E207 PolarHBondContact NH2-OE1 3.15Å
63G87.4Confident94.1Very high67 Ų6744.3 Ų44.369%0.69124%0.24SC*.THydrogen-bonded Turntrans-62.2-28.8-179.900000114.3K61K61-G63 PolarHBondContact O-N 3.32Å
64I89.7Confident93.9Very high65 Ų6544.6 Ų44.633%0.33325%0.245SC..THydrogen-bonded Turntrans-114.2-5-177.860.9173.9000113.2R39 V43 M44 K61 R62R39-I64 PolarHBondContact N-O 3.06Å; R39-I64 VanDerWaalsContact N-O 3.07Å; V43-I64 HydrophobicContact CG1-CB 4.42Å; V43-I64 HydrophobicContact CG1-CG2 4.17Å; M44-I64 HydrophobicContact CE-CD1 3.51Å; M44-I64 HydrophobicContact CE-CG1 4.1Å; M44-I64 HydrophobicContact CG-CD1 4.44Å; K61-I64 HydrophobicContact CB-CG1 4.24Å; K61-I64 VanDerWaalsContact O-CG1 3.32Å; K61-I64 WeakPolarHBondContact O-CG1 3.46Å; K61-I64 PolarHBondContact O-N 3.21Å; R62-I64 VanDerWaalsContact C-N 3.25Å; R62-I64 PolarHBondContact O-N 2.84Å
65L92.2Very high93.8Very high0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-106.7148.4179.3-60.9-175.3000111.8R37 P38 R39 M44 Y53 A58 K61 R62 L67R37-L65 CarbonylContact O-C 3.58Å; R37-L65 WeakPolarHBondContact O-CA 3.34Å; P38-L65 HydrophobicContact CB-CD2 4.39Å; P38-L65 HydrophobicContact CG-CD2 4.11Å; R39-L65 PolarHBondContact NE-O 3.09Å; R39-L65 PolarHBondContact NH2-O 2.88Å; M44-L65 HydrophobicContact CE-CD2 3.59Å; M44-L65 HydrophobicContact CE-CG 4.46Å; Y53-L65 HydrophobicContact CD2-CD1 3.7Å; Y53-L65 HydrophobicContact CD2-CD2 3.73Å; Y53-L65 HydrophobicContact CD2-CG 4.41Å; Y53-L65 HydrophobicContact CE2-CD2 4.04Å; Y53-L65 HydrophobicContact CG-CD1 3.91Å; A58-L65 HydrophobicContact CB-CD1 4.39Å; K61-L65 HydrophobicContact CB-CD1 3.54Å; K61-L65 HydrophobicContact CB-CG 3.83Å; K61-L65 WeakPolarHBondContact O-CG 3.39Å; K61-L65 PolarHBondContact O-N 3.07Å; K61-L65 VanDerWaalsContact O-N 3.13Å; R62-L65 PolarHBondContact O-N 3.42Å; R62-L65 VanDerWaalsContact O-O 3.07Å; L65-L67 HydrophobicContact CB-CD2 3.9Å; L65-L67 HydrophobicContact CD1-CD2 4.38Å
66T93.4Very high93.8Very high69 Ų6946.2 Ų46.242%0.42325%0.254SS..EExtended strand (participates in β ladder)trans-89.3114.3158.7-61.50000107.3G36 R37 R39G36-T66 WeakPolarHBondContact CA-O 3.48Å; R37-T66 PolarHBondContact N-O 3.15Å; R37-T66 PolarHBondContact O-N 3.41Å; R39-T66 WeakPolarHBondContact CG-OG1 3.4Å
67L94.8Very high93.9Very high31 Ų3145.7 Ų45.716%0.16225%0.254CS..EExtended strand (participates in β ladder)trans-91138.6179.7-56.2-176.5000110.6I34 A58 R62 L65I34-L67 HydrophobicContact CD1-CD1 4.19Å; A58-L67 HydrophobicContact CB-CD2 4Å; R62-L67 HydrophobicContact CB-CD1 3.85Å; R62-L67 HydrophobicContact CG-CD1 3.59Å; R62-L67 HydrophobicContact CG-CG 4.32Å; R62-L67 VanDerWaalsContact CZ-CD1 3.48Å; L65-L67 HydrophobicContact CB-CD2 3.9Å; L65-L67 HydrophobicContact CD1-CD2 4.38Å
68K96.4Very high94Very high107 Ų10745.1 Ų45.147%0.46525%0.253SS..EExtended strand (participates in β ladder)trans-127.8151.4173.9-67.5-166.8175.7-171.80110.3I34 V35I34-K68 WeakPolarHBondContact CA-O 3.38Å; V35-K68 PolarHBondContact N-O 2.98Å; V35-K68 PolarHBondContact O-N 3.21Å
69Y95.7Very high94.1Very high56 Ų5647.2 Ų47.222%0.2226%0.261CS..  trans-114.5108.8179.1-62.6-99.4000107.3I34 R62 I71I34-Y69 HydrophobicContact CG2-CD1 3.48Å; I34-Y69 VanDerWaalsContact CG2-CD1 3.48Å; I34-Y69 HydrophobicContact CG2-CE1 3.22Å; I34-Y69 HydrophobicContact CG2-CE2 4.44Å; I34-Y69 HydrophobicContact CG2-CG 4.21Å; R62-Y69 PolarHBondContact NH2-OH 2.98Å; Y69-I71 PolarHBondContact O-N 3.49Å
70P97.4Very high94.3Very high1 Ų150.2 Ų50.21%0.00628%0.278CS..SBendtrans-75.3-8.8-17827.7-32000113.8S33 V76 T77 N78 D81 M82 I85S33-P70 WeakPolarHBondContact O-CD 3.32Å; P70-V76 CarbonylContact O-C 3.6Å; P70-V76 WeakPolarHBondContact O-CA 3.27Å; P70-T77 PolarHBondContact O-N 3.43Å; P70-T77 PolarHBondContact O-OG1 2.87Å; P70-N78 HydrophobicContact CB-CB 4.16Å; P70-N78 WeakPolarHBondContact CB-O 3.37Å; P70-N78 PolarHBondContact O-N 3.35Å; P70-D81 HydrophobicContact CB-CB 3.76Å; P70-D81 HydrophobicContact CG-CB 4.19Å; P70-M82 HydrophobicContact CB-CB 4.47Å; P70-M82 HydrophobicContact CG-SD 4.36Å; P70-I85 HydrophobicContact CG-CD1 3.31Å; P70-I85 HydrophobicContact CG-CG1 4.36Å
71I96.8Very high94.6Very high3 Ų345.8 Ų45.82%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-118.2120.2176.8-54.3170.5000108.5N12 S14 Y69 I75 V76 M82N12-I71 HydrophobicContact CB-CD1 4.19Å; S14-I71 VanDerWaalsContact OG-CG2 3.3Å; S14-I71 WeakPolarHBondContact OG-CG2 3.33Å; Y69-I71 PolarHBondContact O-N 3.49Å; I71-I75 CarbonylContact C-O 3.54Å; I71-I75 VanDerWaalsContact CA-O 3.32Å; I71-I75 WeakPolarHBondContact CA-O 3.21Å; I71-V76 HydrophobicContact CG1-CG2 4.11Å; I71-M82 HydrophobicContact CD1-CE 4.07Å; I71-M82 HydrophobicContact CD1-SD 3.76Å; I71-M82 HydrophobicContact CG1-SD 3.82Å
72E93.3Very high94.9Very high96 Ų9643.5 Ų43.545%0.44924%0.237SC..EExtended strand (participates in β ladder)trans-120.2126.9176.9-65.8178.1-157.400109.1G74 I75 T77E72-G74 PolarHBondContact O-N 3.44Å; E72-G74 VanDerWaalsContact O-N 3.17Å; E72-I75 PolarHBondContact N-O 3.32Å; E72-I75 PolarHBondContact O-N 3.37Å; E72-T77 HydrophobicContact CB-CG2 3.98Å; E72-T77 HydrophobicContact CG-CG2 4.27Å
73H92.5Very high95.2Very high69 Ų6945 Ų4532%0.31925%0.245SC..THydrogen-bonded Turntrans46.944.9-177.6-48.3102.3000113.9I75 G158 V159H73-I75 VanDerWaalsContact C-N 3.27Å; H73-I75 PolarHBondContact O-N 2.92Å; H73-G158 WeakPolarHBondContact CA-O 3.4Å; H73-G158 PolarHBondContact CD2-O 3.07Å; H73-V159 HydrophobicContact CB-CB 4.25Å
74G91.9Very high95.7Very high12 Ų1244.7 Ų44.712%0.12423%0.225CC..THydrogen-bonded Turntrans78.2-2.6-179.100000116S14 E72S14-G74 WeakPolarHBondContact OG-CA 2.99Å; S14-G74 PolarHBondContact OG-N 3.35Å; E72-G74 PolarHBondContact O-N 3.44Å; E72-G74 VanDerWaalsContact O-N 3.17Å
75I95.6Very high96.2Very high29 Ų2941.6 Ų41.615%0.14921%0.209CC..EExtended strand (participates in β ladder)trans-110.9131.8-176.3-55.1-55.3000110.3I71 E72 H73 T77 N115I71-I75 CarbonylContact C-O 3.54Å; I71-I75 VanDerWaalsContact CA-O 3.32Å; I71-I75 WeakPolarHBondContact CA-O 3.21Å; E72-I75 PolarHBondContact N-O 3.32Å; E72-I75 PolarHBondContact O-N 3.37Å; H73-I75 VanDerWaalsContact C-N 3.27Å; H73-I75 PolarHBondContact O-N 2.92Å; I75-T77 PolarHBondContact O-N 3.35Å; I75-N115 WeakPolarHBondContact CG2-ND2 3.49Å
76V97.6Very high96.5Very high16 Ų1641.7 Ų41.710%0.09721%0.209CC..EExtended strand (participates in β ladder)trans-67.6120.2171.1-178.20000109.2P70 I71 W79 M82 N115P70-V76 CarbonylContact O-C 3.6Å; P70-V76 WeakPolarHBondContact O-CA 3.27Å; I71-V76 HydrophobicContact CG1-CG2 4.11Å; V76-W79 HydrophobicContact CB-CH2 3.87Å; V76-W79 HydrophobicContact CB-CZ2 3.85Å; V76-W79 HydrophobicContact CB-CZ3 4.22Å; V76-W79 HydrophobicContact CG1-CD2 3.71Å; V76-W79 HydrophobicContact CG1-CE3 3.78Å; V76-W79 HydrophobicContact CG1-CG 4.3Å; V76-W79 HydrophobicContact CG1-CH2 4.02Å; V76-W79 HydrophobicContact CG1-CZ2 3.95Å; V76-W79 HydrophobicContact CG1-CZ3 3.94Å; V76-W79 HydrophobicContact CG2-CH2 4.03Å; V76-W79 HydrophobicContact CG2-CZ3 4.22Å; V76-M82 HydrophobicContact CG1-CB 3.9Å; V76-M82 HydrophobicContact CG1-CG 4.12Å; V76-M82 HydrophobicContact CG2-CG 4.15Å; V76-M82 HydrophobicContact CG2-SD 4.2Å; V76-N115 PolarHBondContact O-ND2 2.98Å; V76-N115 VanDerWaalsContact O-ND2 3.14Å
77T96.8Very high96.7Very high76 Ų7642.9 Ų42.947%0.46621%0.21SC..  trans-107.6-16.5177.358.40000112.6P70 E72 I75P70-T77 PolarHBondContact O-N 3.43Å; P70-T77 PolarHBondContact O-OG1 2.87Å; E72-T77 HydrophobicContact CB-CG2 3.98Å; E72-T77 HydrophobicContact CG-CG2 4.27Å; I75-T77 PolarHBondContact O-N 3.35Å
78N98.1Very high96.9Very high47 Ų4742.2 Ų42.225%0.25121%0.206SC..  trans-137.4103.6177.9-174.1-33.9000111.4P70 D80 D81 M82P70-N78 HydrophobicContact CB-CB 4.16Å; P70-N78 WeakPolarHBondContact CB-O 3.37Å; P70-N78 PolarHBondContact O-N 3.35Å; N78-D80 PolarHBondContact OD1-N 3.45Å; N78-D81 HydrophobicContact CB-CB 4.29Å; N78-D81 PolarHBondContact ND2-OD2 3.37Å; N78-D81 PolarHBondContact OD1-N 3.01Å; N78-M82 WeakPolarHBondContact O-CB 3.47Å; N78-M82 PolarHBondContact O-N 3.2Å
79W98.1Very high97Very high45 Ų4537.1 Ų37.117%0.1718%0.184CC..Hα-helixtrans-70.9-38-177.5-69.1103.7000113.5V76 D81 M82 E83 W86 N115 K118 M119 I122V76-W79 HydrophobicContact CB-CH2 3.87Å; V76-W79 HydrophobicContact CB-CZ2 3.85Å; V76-W79 HydrophobicContact CB-CZ3 4.22Å; V76-W79 HydrophobicContact CG1-CD2 3.71Å; V76-W79 HydrophobicContact CG1-CE3 3.78Å; V76-W79 HydrophobicContact CG1-CG 4.3Å; V76-W79 HydrophobicContact CG1-CH2 4.02Å; V76-W79 HydrophobicContact CG1-CZ2 3.95Å; V76-W79 HydrophobicContact CG1-CZ3 3.94Å; V76-W79 HydrophobicContact CG2-CH2 4.03Å; V76-W79 HydrophobicContact CG2-CZ3 4.22Å; W79-D81 PolarHBondContact O-N 3.1Å; W79-M82 HydrophobicContact CE3-CB 4.44Å; W79-M82 PolarHBondContact O-N 2.93Å; W79-M82 VanDerWaalsContact O-N 3.11Å; W79-E83 WeakPolarHBondContact O-CG 3.19Å; W79-E83 PolarHBondContact O-N 3.1Å; W79-W86 AromaticContact CZ3-CH2 3.86Å; W79-W86 HydrophobicContact CZ3-CH2 3.86Å; W79-W86 HydrophobicContact CZ3-CZ3 4.3Å; W79-N115 HydrophobicContact CH2-CB 4.21Å; W79-N115 WeakPolarHBondContact CH2-O 3.31Å; W79-N115 HydrophobicContact CZ2-CB 3.76Å; W79-K118 HydrophobicContact CD2-CB 4.14Å; W79-K118 HydrophobicContact CD2-CG 3.37Å; W79-K118 VanDerWaalsContact CE2-CG 3.47Å; W79-K118 HydrophobicContact CE3-CB 4.39Å; W79-K118 HydrophobicContact CE3-CG 3.72Å; W79-K118 HydrophobicContact CG-CG 3.77Å; W79-K118 HydrophobicContact CH2-CB 4Å; W79-K118 HydrophobicContact CH2-CG 4.23Å; W79-K118 HydrophobicContact CZ2-CB 3.72Å; W79-K118 HydrophobicContact CZ2-CG 3.92Å; W79-K118 HydrophobicContact CZ3-CB 4.31Å; W79-K118 HydrophobicContact CZ3-CG 4.12Å; W79-M119 HydrophobicContact CH2-CG 3.55Å; W79-M119 HydrophobicContact CZ3-CG 3.74Å; W79-I122 HydrophobicContact CD2-CD1 4.27Å; W79-I122 HydrophobicContact CE3-CD1 3.49Å; W79-I122 VanDerWaalsContact CE3-CD1 3.49Å; W79-I122 HydrophobicContact CZ3-CD1 4.11Å
80D97.9Very high97.1Very high106 Ų10634.5 Ų34.557%0.56717%0.173SC*.Hα-helixtrans-61.6-34.6177.8-62.4-8.5000112.2N78 K84N78-D80 PolarHBondContact OD1-N 3.45Å; D80-K84 WeakPolarHBondContact O-CG 3.37Å; D80-K84 PolarHBondContact O-NZ 3.19Å
81D98.2Very high97.1Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-81.8-31.8176.5-77.8-4.3000111.5V35 R37 P70 N78 W79 K84 I85V35-D81 HydrophobicContact CB-CB 4.29Å; V35-D81 HydrophobicContact CG2-CB 3.79Å; R37-D81 IonicContact CZ-OD1 3.87Å; R37-D81 VanDerWaalsContact CZ-OD1 3.26Å; R37-D81 IonicContact CZ-OD2 3.06Å; R37-D81 IonicContact NH1-OD1 2.78Å; R37-D81 PolarHBondContact NH1-OD1 3.41Å; R37-D81 IonicContact NH1-OD2 3.42Å; R37-D81 PolarHBondContact NH1-OD2 3.41Å; R37-D81 IonicContact NH2-OD1 3.17Å; R37-D81 PolarHBondContact NH2-OD1 3.31Å; R37-D81 IonicContact NH2-OD2 3.33Å; P70-D81 HydrophobicContact CB-CB 3.76Å; P70-D81 HydrophobicContact CG-CB 4.19Å; N78-D81 HydrophobicContact CB-CB 4.29Å; N78-D81 PolarHBondContact ND2-OD2 3.37Å; N78-D81 PolarHBondContact OD1-N 3.01Å; W79-D81 PolarHBondContact O-N 3.1Å; D81-K84 PolarHBondContact O-N 3.48Å; D81-K84 IonicContact OD1-NZ 2.71Å; D81-K84 PolarHBondContact OD1-NZ 3.5Å; D81-I85 PolarHBondContact O-N 3.32Å
82M98.2Very high97.2Very high1 Ų142.3 Ų42.31%0.00521%0.208CC..Hα-helixtrans-65.4-40.9172.1-163.465.1-148.800112.2N12 P70 I71 V76 N78 W79 K84 I85 W86N12-M82 HydrophobicContact CB-CE 4.31Å; N12-M82 VanDerWaalsContact OD1-CE 3.27Å; N12-M82 WeakPolarHBondContact OD1-CE 3.49Å; P70-M82 HydrophobicContact CB-CB 4.47Å; P70-M82 HydrophobicContact CG-SD 4.36Å; I71-M82 HydrophobicContact CD1-CE 4.07Å; I71-M82 HydrophobicContact CD1-SD 3.76Å; I71-M82 HydrophobicContact CG1-SD 3.82Å; V76-M82 HydrophobicContact CG1-CB 3.9Å; V76-M82 HydrophobicContact CG1-CG 4.12Å; V76-M82 HydrophobicContact CG2-CG 4.15Å; V76-M82 HydrophobicContact CG2-SD 4.2Å; N78-M82 WeakPolarHBondContact O-CB 3.47Å; N78-M82 PolarHBondContact O-N 3.2Å; W79-M82 HydrophobicContact CE3-CB 4.44Å; W79-M82 PolarHBondContact O-N 2.93Å; W79-M82 VanDerWaalsContact O-N 3.11Å; M82-K84 VanDerWaalsContact C-N 3.29Å; M82-K84 PolarHBondContact O-N 3.04Å; M82-I85 HydrophobicContact CE-CB 4.42Å; M82-I85 HydrophobicContact CE-CG2 4.03Å; M82-I85 WeakPolarHBondContact O-CA 3.17Å; M82-I85 WeakPolarHBondContact O-CB 3.29Å; M82-I85 PolarHBondContact O-N 2.83Å; M82-I85 VanDerWaalsContact O-N 3.08Å; M82-I85 HydrophobicContact SD-CD1 4.47Å; M82-W86 HydrophobicContact CE-CD2 4.15Å; M82-W86 VanDerWaalsContact CE-CE2 3.44Å; M82-W86 HydrophobicContact CE-CG 4.36Å; M82-W86 HydrophobicContact CE-CZ2 3.87Å; M82-W86 HydrophobicContact CG-CD2 4.13Å; M82-W86 HydrophobicContact CG-CE3 4.2Å; M82-W86 HydrophobicContact CG-CH2 4Å; M82-W86 HydrophobicContact CG-CZ2 3.85Å; M82-W86 HydrophobicContact CG-CZ3 4.15Å; M82-W86 PolarHBondContact O-N 3.36Å
83E98.2Very high97.4Very high50 Ų5041 Ų4123%0.23420%0.202CC..Hα-helixtrans-59.3-40173.9-77.4-178.9-139.300111.8W79 I85 W86 H87 I122W79-E83 WeakPolarHBondContact O-CG 3.19Å; W79-E83 PolarHBondContact O-N 3.1Å; E83-I85 VanDerWaalsContact C-N 3.34Å; E83-W86 PolarHBondContact O-N 3.37Å; E83-H87 WeakPolarHBondContact O-CB 3.36Å; E83-H87 PolarHBondContact O-N 3.5Å; E83-I122 HydrophobicContact CG-CD1 3.8Å; E83-I122 HydrophobicContact CG-CG1 4.18Å; E83-I122 HydrophobicContact CG-CG2 3.73Å; E83-I122 WeakPolarHBondContact OE1-CD1 3.49Å
84K98.2Very high97.7Very high60 Ų6038.5 Ų38.526%0.26119%0.191SC..Hα-helixtrans-65.2-38173.8-68.6176.8-167.376.10112.2V35 S52 V54 D80 D81 M82 H88V35-K84 HydrophobicContact CG1-CD 4.1Å; V35-K84 HydrophobicContact CG2-CB 4.46Å; S52-K84 WeakPolarHBondContact OG-CD 3.37Å; V54-K84 HydrophobicContact CG2-CB 4.19Å; D80-K84 WeakPolarHBondContact O-CG 3.37Å; D80-K84 PolarHBondContact O-NZ 3.19Å; D81-K84 PolarHBondContact O-N 3.48Å; D81-K84 IonicContact OD1-NZ 2.71Å; D81-K84 PolarHBondContact OD1-NZ 3.5Å; M82-K84 VanDerWaalsContact C-N 3.29Å; M82-K84 PolarHBondContact O-N 3.04Å; K84-H88 WeakPolarHBondContact O-CB 3.21Å; K84-H88 PolarHBondContact O-N 3.37Å
85I98.5Very high97.9Very high0 Ų047.9 Ų47.90%022%0.223CC..Hα-helixtrans-61.5-49.8174-72.9-179.8000110.1F31 V35 V54 P70 D81 M82 E83 H87 H88 T89F31-I85 HydrophobicContact CE2-CG2 4.11Å; F31-I85 HydrophobicContact CZ-CG2 4.17Å; V35-I85 HydrophobicContact CG2-CD1 4.45Å; V35-I85 HydrophobicContact CG2-CG1 4.03Å; V54-I85 HydrophobicContact CG1-CG1 3.93Å; P70-I85 HydrophobicContact CG-CD1 3.31Å; P70-I85 HydrophobicContact CG-CG1 4.36Å; D81-I85 PolarHBondContact O-N 3.32Å; M82-I85 HydrophobicContact CE-CB 4.42Å; M82-I85 HydrophobicContact CE-CG2 4.03Å; M82-I85 WeakPolarHBondContact O-CA 3.17Å; M82-I85 WeakPolarHBondContact O-CB 3.29Å; M82-I85 PolarHBondContact O-N 2.83Å; M82-I85 VanDerWaalsContact O-N 3.08Å; M82-I85 HydrophobicContact SD-CD1 4.47Å; E83-I85 VanDerWaalsContact C-N 3.34Å; I85-H87 PolarHBondContact O-N 2.73Å; I85-H88 CarbonylContact O-C 3.53Å; I85-H88 WeakPolarHBondContact O-CB 3.27Å; I85-H88 PolarHBondContact O-N 3.49Å; I85-H88 VanDerWaalsContact O-N 3.16Å; I85-T89 PolarHBondContact O-N 2.89Å; I85-T89 PolarHBondContact O-OG1 3.03Å
86W98.6Very high98Very high1 Ų147.7 Ų47.70%0.00422%0.223CC..Hα-helixtrans-65.1-40.1179.3-69.1-35.3000113.2N12 W79 M82 E83 H88 T89 F90 L105 M119 I122 M123 F127N12-W86 PolarHBondContact OD1-NE1 3.37Å; W79-W86 AromaticContact CZ3-CH2 3.86Å; W79-W86 HydrophobicContact CZ3-CH2 3.86Å; W79-W86 HydrophobicContact CZ3-CZ3 4.3Å; M82-W86 HydrophobicContact CE-CD2 4.15Å; M82-W86 VanDerWaalsContact CE-CE2 3.44Å; M82-W86 HydrophobicContact CE-CG 4.36Å; M82-W86 HydrophobicContact CE-CZ2 3.87Å; M82-W86 HydrophobicContact CG-CD2 4.13Å; M82-W86 HydrophobicContact CG-CE3 4.2Å; M82-W86 HydrophobicContact CG-CH2 4Å; M82-W86 HydrophobicContact CG-CZ2 3.85Å; M82-W86 HydrophobicContact CG-CZ3 4.15Å; M82-W86 PolarHBondContact O-N 3.36Å; E83-W86 PolarHBondContact O-N 3.37Å; W86-H88 VanDerWaalsContact C-N 3.28Å; W86-H88 PolarHBondContact O-N 3.29Å; W86-T89 WeakPolarHBondContact O-CB 3.36Å; W86-T89 PolarHBondContact O-N 3.03Å; W86-T89 VanDerWaalsContact O-N 3.16Å; W86-F90 HydrophobicContact CB-CD2 4.46Å; W86-F90 HydrophobicContact CB-CE2 3.99Å; W86-F90 WeakPolarHBondContact O-CD2 3.5Å; W86-F90 WeakPolarHBondContact O-CG 3.33Å; W86-F90 PolarHBondContact O-N 3.24Å; W86-L105 HydrophobicContact CZ2-CD1 4.38Å; W86-L105 HydrophobicContact CZ2-CD2 4.01Å; W86-M119 HydrophobicContact CH2-CB 4.22Å; W86-M119 HydrophobicContact CH2-CG 3.93Å; W86-M119 HydrophobicContact CZ2-CG 4.4Å; W86-I122 HydrophobicContact CE3-CG2 3.8Å; W86-I122 HydrophobicContact CZ3-CB 4.02Å; W86-I122 HydrophobicContact CZ3-CD1 3.86Å; W86-I122 HydrophobicContact CZ3-CG2 3.64Å; W86-M123 HydrophobicContact CB-CE 4.26Å; W86-M123 HydrophobicContact CD2-CE 3.33Å; W86-M123 HydrophobicContact CE3-CE 3.35Å; W86-M123 HydrophobicContact CG-CE 3.78Å; W86-M123 HydrophobicContact CH2-CE 4Å; W86-M123 HydrophobicContact CZ2-CE 4.05Å; W86-M123 HydrophobicContact CZ3-CE 3.7Å; W86-F127 HydrophobicContact CB-CE2 3.73Å; W86-F127 HydrophobicContact CB-CZ 3.71Å; W86-F127 HydrophobicContact CE3-CE2 4.07Å
87H98.3Very high98Very high95 Ų9548 Ų4844%0.4423%0.227SC..Hα-helixtrans-57.4-45.4171.9-176.7-65.2000110.8E83 I85 F90 Y91 F127E83-H87 WeakPolarHBondContact O-CB 3.36Å; E83-H87 PolarHBondContact O-N 3.5Å; I85-H87 PolarHBondContact O-N 2.73Å; H87-F90 PolarHBondContact O-N 3.45Å; H87-Y91 HydrophobicContact CB-CD2 4.43Å; H87-Y91 AromaticContact CD2-CD2 3.63Å; H87-Y91 AromaticContact CD2-CE2 3.69Å; H87-Y91 AromaticContact CE1-CD2 3.47Å; H87-Y91 VanDerWaalsContact CE1-CD2 3.47Å; H87-Y91 WeakPolarHBondContact CE1-CD2 3.29Å; H87-Y91 AromaticContact CG-CD2 3.66Å; H87-Y91 AromaticContact ND1-CD2 3.57Å; H87-Y91 AromaticContact NE2-CD2 3.53Å; H87-Y91 AromaticContact NE2-CE2 3.78Å; H87-Y91 WeakPolarHBondContact O-CB 3.05Å; H87-Y91 VanDerWaalsContact O-CD2 3.26Å; H87-Y91 WeakPolarHBondContact O-CD2 3.47Å; H87-Y91 PolarHBondContact O-N 2.9Å; H87-F127 HydrophobicContact CB-CE1 4.1Å; H87-F127 HydrophobicContact CB-CZ 4.2Å
88H98.3Very high98.1Very high17 Ų1744.3 Ų44.38%0.07921%0.205CC..Iπ-helixtrans-62.1-44.1175.3-177.470.3000112F31 V54 K84 I85 W86 F90 N92 E93F31-H88 AromaticContact CE2-CD2 3.74Å; F31-H88 AromaticContact CZ-CD2 3.97Å; V54-H88 HydrophobicContact CB-CB 3.89Å; V54-H88 HydrophobicContact CG1-CB 3.67Å; V54-H88 HydrophobicContact CG2-CB 4.24Å; K84-H88 WeakPolarHBondContact O-CB 3.21Å; K84-H88 PolarHBondContact O-N 3.37Å; I85-H88 CarbonylContact O-C 3.53Å; I85-H88 WeakPolarHBondContact O-CB 3.27Å; I85-H88 PolarHBondContact O-N 3.49Å; I85-H88 VanDerWaalsContact O-N 3.16Å; W86-H88 VanDerWaalsContact C-N 3.28Å; W86-H88 PolarHBondContact O-N 3.29Å; H88-F90 PolarHBondContact O-N 3.34Å; H88-N92 WeakPolarHBondContact ND1-CB 3.42Å; H88-N92 PolarHBondContact ND1-OD1 3.07Å; H88-N92 WeakPolarHBondContact O-CA 3.22Å; H88-N92 VanDerWaalsContact O-CB 3.3Å; H88-N92 WeakPolarHBondContact O-CB 3.36Å; H88-N92 PolarHBondContact O-N 3.22Å; H88-E93 IonicContact CE1-OE1 3.59Å; H88-E93 IonicContact NE2-OE1 2.74Å; H88-E93 PolarHBondContact NE2-OE1 2.96Å; H88-E93 PolarHBondContact O-N 2.91Å
89T98.6Very high98.1Very high0 Ų046.5 Ų46.50%021%0.214CC..Iπ-helixtrans-53.8-52.5175.2-56.20000111.6V10 A19 F31 I85 W86 E93 L94V10-T89 HydrophobicContact CG1-CG2 4.34Å; V10-T89 HydrophobicContact CG2-CG2 4.18Å; A19-T89 HydrophobicContact CB-CG2 3.29Å; F31-T89 VanDerWaalsContact CZ-OG1 3.31Å; F31-T89 WeakPolarHBondContact CZ-OG1 3.5Å; I85-T89 PolarHBondContact O-N 2.89Å; I85-T89 PolarHBondContact O-OG1 3.03Å; W86-T89 WeakPolarHBondContact O-CB 3.36Å; W86-T89 PolarHBondContact O-N 3.03Å; W86-T89 VanDerWaalsContact O-N 3.16Å; T89-E93 WeakPolarHBondContact O-CB 3.1Å; T89-L94 HydrophobicContact CG2-CD1 4.26Å; T89-L94 HydrophobicContact CG2-CG 4.49Å; T89-L94 WeakPolarHBondContact O-CB 3.07Å; T89-L94 WeakPolarHBondContact O-CG 3.45Å; T89-L94 PolarHBondContact O-N 2.89Å
90F98.6Very high98Very high0 Ų050.2 Ų50.20%023%0.233CC..Iπ-helixtrans-73.4-50.3-174.4-58.2-46.6000112.1L8 V10 W86 H87 H88 L94 R95 V96 P98 V103 M123 F127L8-F90 HydrophobicContact CD1-CD1 3.76Å; L8-F90 HydrophobicContact CD1-CE1 3.86Å; V10-F90 HydrophobicContact CG2-CE1 3.95Å; V10-F90 HydrophobicContact CG2-CZ 4.47Å; W86-F90 HydrophobicContact CB-CD2 4.46Å; W86-F90 HydrophobicContact CB-CE2 3.99Å; W86-F90 WeakPolarHBondContact O-CD2 3.5Å; W86-F90 WeakPolarHBondContact O-CG 3.33Å; W86-F90 PolarHBondContact O-N 3.24Å; H87-F90 PolarHBondContact O-N 3.45Å; H88-F90 PolarHBondContact O-N 3.34Å; F90-L94 CarbonylContact O-C 3.52Å; F90-R95 WeakPolarHBondContact O-CA 3.35Å; F90-R95 PolarHBondContact O-N 3.16Å; F90-V96 PolarHBondContact O-N 3.24Å; F90-P98 HydrophobicContact CB-CB 4.38Å; F90-P98 HydrophobicContact CB-CG 4.23Å; F90-P98 HydrophobicContact CD1-CB 4.28Å; F90-P98 HydrophobicContact CD2-CB 3.76Å; F90-P98 HydrophobicContact CD2-CG 3.86Å; F90-P98 HydrophobicContact CE2-CB 4.04Å; F90-P98 HydrophobicContact CE2-CG 4.47Å; F90-P98 HydrophobicContact CG-CB 3.9Å; F90-P98 HydrophobicContact CG-CG 4.13Å; F90-P98 HydrophobicContact CZ-CB 4.42Å; F90-V103 HydrophobicContact CE1-CG1 4.32Å; F90-V103 HydrophobicContact CE1-CG2 4.34Å; F90-V103 HydrophobicContact CZ-CG1 4.14Å; F90-V103 HydrophobicContact CZ-CG2 4.3Å; F90-M123 HydrophobicContact CE2-CE 4.26Å; F90-M123 HydrophobicContact CE2-SD 4.32Å; F90-M123 HydrophobicContact CZ-CE 4.28Å; F90-M123 HydrophobicContact CZ-SD 4.13Å; F90-F127 AromaticContact CD2-CD1 3.81Å; F90-F127 HydrophobicContact CD2-CD1 3.81Å; F90-F127 AromaticContact CD2-CE1 3.89Å; F90-F127 HydrophobicContact CD2-CE1 3.89Å; F90-F127 HydrophobicContact CD2-CG 4.23Å; F90-F127 HydrophobicContact CD2-CZ 4.39Å; F90-F127 AromaticContact CE2-CD1 3.99Å; F90-F127 HydrophobicContact CE2-CD1 3.99Å; F90-F127 HydrophobicContact CE2-CD2 4.11Å; F90-F127 HydrophobicContact CE2-CE1 4.21Å; F90-F127 HydrophobicContact CE2-CE2 4.32Å; F90-F127 AromaticContact CE2-CG 3.94Å; F90-F127 HydrophobicContact CE2-CG 3.94Å; F90-F127 HydrophobicContact CE2-CZ 4.37Å
91Y98.1Very high98Very high94 Ų9446.3 Ų46.337%0.36921%0.211SC..Iπ-helixtrans-91.6-28.9-167.9-62.7-72.7000114.5H87 P98 F127H87-Y91 HydrophobicContact CB-CD2 4.43Å; H87-Y91 AromaticContact CD2-CD2 3.63Å; H87-Y91 AromaticContact CD2-CE2 3.69Å; H87-Y91 AromaticContact CE1-CD2 3.47Å; H87-Y91 VanDerWaalsContact CE1-CD2 3.47Å; H87-Y91 WeakPolarHBondContact CE1-CD2 3.29Å; H87-Y91 AromaticContact CG-CD2 3.66Å; H87-Y91 AromaticContact ND1-CD2 3.57Å; H87-Y91 AromaticContact NE2-CD2 3.53Å; H87-Y91 AromaticContact NE2-CE2 3.78Å; H87-Y91 WeakPolarHBondContact O-CB 3.05Å; H87-Y91 VanDerWaalsContact O-CD2 3.26Å; H87-Y91 WeakPolarHBondContact O-CD2 3.47Å; H87-Y91 PolarHBondContact O-N 2.9Å; Y91-P98 HydrophobicContact CE2-CG 4.4Å; Y91-P98 WeakPolarHBondContact OH-CD 3.42Å; Y91-F127 HydrophobicContact CE2-CD1 4.5Å; Y91-F127 HydrophobicContact CE2-CE1 4.35Å
92N97.2Very high98Very high74 Ų7447.4 Ų47.440%0.39622%0.218SC..Iπ-helixtrans-99.2-48.2-178-64.4100.1000112.4H88 R95H88-N92 WeakPolarHBondContact ND1-CB 3.42Å; H88-N92 PolarHBondContact ND1-OD1 3.07Å; H88-N92 WeakPolarHBondContact O-CA 3.22Å; H88-N92 VanDerWaalsContact O-CB 3.3Å; H88-N92 WeakPolarHBondContact O-CB 3.36Å; H88-N92 PolarHBondContact O-N 3.22Å; N92-R95 WeakPolarHBondContact O-CG 3.5Å
93E98.2Very high98Very high69 Ų6947.3 Ų47.332%0.32222%0.218SC..Iπ-helixtrans-82-56.4-174.2-64.7-59.9126.700111.4A29 F31 H88 T89A29-E93 HydrophobicContact CB-CB 3.65Å; A29-E93 HydrophobicContact CB-CG 4.23Å; F31-E93 HydrophobicContact CD1-CG 3.77Å; F31-E93 HydrophobicContact CE1-CG 3.81Å; H88-E93 IonicContact CE1-OE1 3.59Å; H88-E93 IonicContact NE2-OE1 2.74Å; H88-E93 PolarHBondContact NE2-OE1 2.96Å; H88-E93 PolarHBondContact O-N 2.91Å; T89-E93 WeakPolarHBondContact O-CB 3.1Å
94L97.9Very high98Very high16 Ų1645 Ų458%0.08421%0.207CC..Iπ-helixtrans-84.2-24.9179.5-61.7-176.8000113.5L8 A19 F21 R28 T89 F90 V96L8-L94 HydrophobicContact CD1-CD1 4.25Å; L8-L94 HydrophobicContact CD2-CD1 4.13Å; A19-L94 HydrophobicContact CB-CD1 4.01Å; A19-L94 HydrophobicContact CB-CD2 4.28Å; A19-L94 HydrophobicContact CB-CG 4.27Å; F21-L94 HydrophobicContact CE2-CD2 4.38Å; R28-L94 HydrophobicContact CB-CD2 3.97Å; T89-L94 HydrophobicContact CG2-CD1 4.26Å; T89-L94 HydrophobicContact CG2-CG 4.49Å; T89-L94 WeakPolarHBondContact O-CB 3.07Å; T89-L94 WeakPolarHBondContact O-CG 3.45Å; T89-L94 PolarHBondContact O-N 2.89Å; F90-L94 CarbonylContact O-C 3.52Å; L94-V96 HydrophobicContact CB-CG2 3.89Å
95R97.9Very high98Very high209 Ų20942.1 Ų42.179%0.78919%0.194SC*.  trans56.146.6-179.1-53.5-179.7-175.3179.51.9113.1F90 N92F90-R95 WeakPolarHBondContact O-CA 3.35Å; F90-R95 PolarHBondContact O-N 3.16Å; N92-R95 WeakPolarHBondContact O-CG 3.5Å
96V97.6Very high98Very high25 Ų2542.2 Ų42.215%0.15220%0.195CC..  trans-126.7160178-65.70000111.6L8 F21 F90 L94L8-V96 HydrophobicContact CD1-CG2 3.74Å; L8-V96 HydrophobicContact CD2-CG2 4.34Å; F21-V96 HydrophobicContact CE1-CG1 4.17Å; F21-V96 HydrophobicContact CZ-CG1 3.62Å; F90-V96 PolarHBondContact O-N 3.24Å; L94-V96 HydrophobicContact CB-CG2 3.89Å
97A97.6Very high97.9Very high22 Ų2242.7 Ų42.718%0.18220%0.197CC..  trans-87.211317000000109.1E99 E100 H101A97-E99 HydrophobicContact CB-CG 4.25Å; A97-E99 PolarHBondContact O-N 3.26Å; A97-E100 HydrophobicContact CB-CG 4.08Å; A97-E100 WeakPolarHBondContact O-CB 3.29Å; A97-E100 PolarHBondContact O-N 2.83Å; A97-H101 PolarHBondContact O-CD2 3.46Å
98P97.6Very high97.7Very high0 Ų038.3 Ų38.30%018%0.177CC..G310 helixtrans-62.3-24.2-17725.1-33.3000113.6F90 Y91 E100 H101 F127 T129F90-P98 HydrophobicContact CB-CB 4.38Å; F90-P98 HydrophobicContact CB-CG 4.23Å; F90-P98 HydrophobicContact CD1-CB 4.28Å; F90-P98 HydrophobicContact CD2-CB 3.76Å; F90-P98 HydrophobicContact CD2-CG 3.86Å; F90-P98 HydrophobicContact CE2-CB 4.04Å; F90-P98 HydrophobicContact CE2-CG 4.47Å; F90-P98 HydrophobicContact CG-CB 3.9Å; F90-P98 HydrophobicContact CG-CG 4.13Å; F90-P98 HydrophobicContact CZ-CB 4.42Å; Y91-P98 HydrophobicContact CE2-CG 4.4Å; Y91-P98 WeakPolarHBondContact OH-CD 3.42Å; P98-E100 PolarHBondContact O-N 2.97Å; P98-H101 PolarHBondContact O-N 3.5Å; P98-H101 VanDerWaalsContact O-N 3.17Å; P98-H101 VanDerWaalsContact O-O 3.08Å; P98-F127 HydrophobicContact CB-CB 4.16Å; P98-F127 HydrophobicContact CG-CB 3.98Å; P98-F127 HydrophobicContact CG-CD1 3.85Å; P98-F127 HydrophobicContact CG-CG 4.33Å; P98-T129 HydrophobicContact CB-CG2 4.2Å
99E97.8Very high97.5Very high93 Ų9337.7 Ų37.744%0.43518%0.175SC..G310 helixtrans-64.9-13.9173.362.6-94-14100114.1A97 N128 P130A97-E99 HydrophobicContact CB-CG 4.25Å; A97-E99 PolarHBondContact O-N 3.26Å; E99-N128 WeakPolarHBondContact CA-O 3.38Å; E99-N128 HydrophobicContact CB-CB 4.13Å; E99-P130 WeakPolarHBondContact O-CD 3.33Å
100E97.3Very high97.2Very high123 Ų12342.8 Ų42.858%0.57520%0.202SC*.G310 helixtrans-94-9.1176.5-62.9-178.1173.800112.6I5 A97 P98I5-E100 WeakPolarHBondContact CG2-O 3.09Å; A97-E100 HydrophobicContact CB-CG 4.08Å; A97-E100 WeakPolarHBondContact O-CB 3.29Å; A97-E100 PolarHBondContact O-N 2.83Å; P98-E100 PolarHBondContact O-N 2.97Å
101H97.6Very high97Very high23 Ų2343.8 Ų43.811%0.10621%0.207CC..SBendtrans-133136.1-169.8-64.4-92.3000114I5 A6 L8 F21 A97 P98 P130I5-H101 HydrophobicContact CG2-CB 4.44Å; I5-H101 WeakPolarHBondContact CG2-ND1 3.45Å; A6-H101 PolarHBondContact O-ND1 2.89Å; L8-H101 HydrophobicContact CD1-CB 3.98Å; L8-H101 HydrophobicContact CD2-CB 4.39Å; L8-H101 HydrophobicContact CG-CB 3.74Å; F21-H101 AromaticContact CE1-CE1 3.9Å; A97-H101 PolarHBondContact O-CD2 3.46Å; P98-H101 PolarHBondContact O-N 3.5Å; P98-H101 VanDerWaalsContact O-N 3.17Å; P98-H101 VanDerWaalsContact O-O 3.08Å; H101-P130 VanDerWaalsContact O-CD 3.3Å; H101-P130 WeakPolarHBondContact O-CD 3.41Å
102P97.8Very high96.9Very high23 Ų2342.1 Ų42.115%0.14921%0.207CC..  trans-58.5144.2164-21.433.1000111.4A7 L8 A131 W356A7-P102 CarbonylContact C-O 3.55Å; A7-P102 VanDerWaalsContact CA-O 3.28Å; A7-P102 WeakPolarHBondContact CA-O 3.18Å; A7-P102 HydrophobicContact CB-CB 4.01Å; L8-P102 PolarHBondContact N-O 3.3Å; P102-A131 CarbonylContact C-O 3.57Å; P102-A131 VanDerWaalsContact CA-O 3.25Å; P102-A131 WeakPolarHBondContact CA-O 3.49Å; P102-A131 HydrophobicContact CB-CB 4.2Å; P102-W356 HydrophobicContact CB-CD2 4.37Å; P102-W356 HydrophobicContact CB-CE3 4.39Å; P102-W356 HydrophobicContact CB-CH2 4.06Å; P102-W356 HydrophobicContact CB-CZ2 4.04Å; P102-W356 HydrophobicContact CB-CZ3 4.25Å
103V98.6Very high96.9Very high0 Ų045.5 Ų45.50%022%0.219CC..EExtended strand (participates in β ladder)trans-124.9117.9-177.6-175.30000112.2L8 V10 F90 L105 M123 T129 A131 M132 Y133L8-V103 HydrophobicContact CB-CG2 4.34Å; L8-V103 HydrophobicContact CD1-CG2 4.4Å; L8-V103 CarbonylContact O-C 3.48Å; L8-V103 WeakPolarHBondContact O-CA 3.41Å; V10-V103 HydrophobicContact CG2-CG1 4.24Å; F90-V103 HydrophobicContact CE1-CG1 4.32Å; F90-V103 HydrophobicContact CE1-CG2 4.34Å; F90-V103 HydrophobicContact CZ-CG1 4.14Å; F90-V103 HydrophobicContact CZ-CG2 4.3Å; V103-L105 HydrophobicContact CG1-CD2 4.43Å; V103-L105 HydrophobicContact CG1-CG 4.2Å; V103-M123 HydrophobicContact CG1-SD 4.23Å; V103-T129 HydrophobicContact CB-CG2 4.26Å; V103-T129 HydrophobicContact CG2-CG2 3.52Å; V103-A131 PolarHBondContact N-O 2.79Å; V103-M132 CarbonylContact O-C 3.59Å; V103-M132 WeakPolarHBondContact O-CA 3.29Å; V103-M132 VanDerWaalsContact O-CB 3.26Å; V103-M132 WeakPolarHBondContact O-CB 3.37Å; V103-Y133 PolarHBondContact O-N 3.21Å
104L98.5Very high96.9Very high0 Ų045.4 Ų45.40%023%0.229CC..EExtended strand (participates in β ladder)trans-91.2118.7167.3-171.2152.1000109.6L8 V9 V10 T106 Y133 A135 L140 L346 A347 F352 W356L8-L104 PolarHBondContact O-N 3.18Å; V9-L104 HydrophobicContact CG1-CD2 4.17Å; V9-L104 HydrophobicContact CG2-CB 4.43Å; V10-L104 PolarHBondContact N-O 2.77Å; L104-T106 HydrophobicContact CD2-CG2 4.23Å; L104-Y133 WeakPolarHBondContact CA-O 3.25Å; L104-Y133 HydrophobicContact CD1-CD1 4.41Å; L104-A135 HydrophobicContact CD2-CB 4.31Å; L104-L140 HydrophobicContact CD2-CD1 4.06Å; L104-L346 HydrophobicContact CD1-CD2 4.21Å; L104-A347 HydrophobicContact CD1-CB 4.2Å; L104-F352 HydrophobicContact CD1-CE1 4.27Å; L104-F352 HydrophobicContact CD1-CZ 4.13Å; L104-W356 HydrophobicContact CB-CH2 3.84Å; L104-W356 HydrophobicContact CB-CZ3 4.15Å
105L98.5Very high96.9Very high0 Ų045.7 Ų45.70%023%0.231CC..EExtended strand (participates in β ladder)trans-101.8146.5172.8-69.5162.8000110.3V10 N12 W86 V103 M119 M123 M132 Y133 V134 A135V10-L105 HydrophobicContact CB-CD2 3.94Å; V10-L105 HydrophobicContact CG1-CD2 4.15Å; N12-L105 WeakPolarHBondContact ND2-CD2 3.45Å; W86-L105 HydrophobicContact CZ2-CD1 4.38Å; W86-L105 HydrophobicContact CZ2-CD2 4.01Å; V103-L105 HydrophobicContact CG1-CD2 4.43Å; V103-L105 HydrophobicContact CG1-CG 4.2Å; L105-M119 HydrophobicContact CD1-CB 4.3Å; L105-M123 HydrophobicContact CD1-CE 3.97Å; L105-M123 HydrophobicContact CD1-CG 3.55Å; L105-M123 HydrophobicContact CD1-SD 4.01Å; L105-M123 HydrophobicContact CD2-CE 4.16Å; L105-M132 HydrophobicContact CD1-CE 4.22Å; L105-Y133 PolarHBondContact N-O 3.04Å; L105-V134 CarbonylContact O-C 3.56Å; L105-V134 WeakPolarHBondContact O-CA 3.13Å; L105-A135 PolarHBondContact O-N 2.93Å
106T97.8Very high96.9Very high2 Ų236.9 Ų36.91%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-99.7149.7172.5770000111.6V10 D11 N12 L104 A135 Q137 L140 V339V10-T106 PolarHBondContact O-N 2.86Å; V10-T106 VanDerWaalsContact O-N 3.11Å; D11-T106 VanDerWaalsContact CA-OG1 3.25Å; D11-T106 WeakPolarHBondContact CA-OG1 3.32Å; D11-T106 HydrophobicContact CB-CG2 4.08Å; D11-T106 PolarHBondContact OD1-OG1 2.92Å; N12-T106 PolarHBondContact N-OG1 2.95Å; N12-T106 PolarHBondContact ND2-O 3.06Å; N12-T106 VanDerWaalsContact ND2-O 3.13Å; L104-T106 HydrophobicContact CD2-CG2 4.23Å; T106-A135 CarbonylContact C-O 3.57Å; T106-A135 VanDerWaalsContact CA-O 3.3Å; T106-A135 WeakPolarHBondContact CA-O 3.47Å; T106-Q137 PolarHBondContact OG1-NE2 3.13Å; T106-L140 HydrophobicContact CG2-CD1 3.62Å; T106-V339 HydrophobicContact CG2-CG1 3.76Å
107E96.4Very high96.9Very high12 Ų1239 Ų396%0.05621%0.206CC..EExtended strand (participates in β ladder)trans-134149.2173.269.5-177.8174.800112.3N111 R116 M119 V134 A135 I136 Q137E107-N111 HydrophobicContact CB-CB 4.23Å; E107-N111 HydrophobicContact CG-CB 4.37Å; E107-N111 WeakPolarHBondContact OE2-CB 3.23Å; E107-N111 PolarHBondContact OE2-ND2 3.39Å; E107-R116 IonicContact OE1-CZ 3.48Å; E107-R116 VanDerWaalsContact OE1-CZ 3.23Å; E107-R116 IonicContact OE1-NE 2.83Å; E107-R116 PolarHBondContact OE1-NE 3.34Å; E107-R116 IonicContact OE1-NH2 3.97Å; E107-R116 PolarHBondContact OE1-NH2 3.28Å; E107-R116 WeakPolarHBondContact OE2-CG 3.33Å; E107-R116 IonicContact OE2-NE 2.73Å; E107-R116 PolarHBondContact OE2-NE 3.07Å; E107-M119 HydrophobicContact CB-CE 4.28Å; E107-V134 HydrophobicContact CB-CG1 3.92Å; E107-V134 HydrophobicContact CG-CG1 3.65Å; E107-V134 WeakPolarHBondContact OE2-CG1 3.28Å; E107-A135 PolarHBondContact N-O 2.74Å; E107-I136 HydrophobicContact CG-CG1 4.43Å; E107-I136 WeakPolarHBondContact O-CA 3.46Å; E107-Q137 WeakPolarHBondContact O-CG 3.33Å; E107-Q137 PolarHBondContact O-N 2.77Å
108A94.8Very high96.9Very high2 Ų240.9 Ų40.92%0.01721%0.21CC..  trans-64150.9167.500000110.2N111A108-N111 WeakPolarHBondContact O-CB 3.17Å; A108-N111 PolarHBondContact O-N 3.05Å
109P94.2Very high96.9Very high4 Ų441.1 Ų41.13%0.02621%0.211CC..THydrogen-bonded Turntrans-59.8150.6172.729.3-37.1000110.9N111 I136 H161 V163 I175P109-N111 PolarHBondContact O-N 3.09Å; P109-I136 HydrophobicContact CB-CG2 4.15Å; P109-H161 HydrophobicContact CG-CB 3.82Å; P109-H161 VanDerWaalsContact CG-CD2 3.49Å; P109-H161 WeakPolarHBondContact CG-CD2 3.18Å; P109-H161 VanDerWaalsContact CG-CG 3.48Å; P109-V163 HydrophobicContact CB-CG2 4.02Å; P109-V163 HydrophobicContact CG-CG2 3.76Å; P109-I175 HydrophobicContact CB-CD1 3.91Å; P109-I175 HydrophobicContact CB-CG2 4.02Å; P109-I175 HydrophobicContact CG-CG2 4.22Å
110L91.8Very high97Very high108 Ų10836.7 Ų36.757%0.56519%0.191SC*.THydrogen-bonded Turntrans62.523.8-178.8-47.9174.9000114.4I175L110-I175 HydrophobicContact CD1-CB 4.41Å; L110-I175 HydrophobicContact CD1-CG2 4Å; L110-I175 HydrophobicContact CD2-CD1 4.3Å; L110-I175 HydrophobicContact CG-CG2 4.17Å
111N94.9Very high97Very high20 Ų2033.6 Ų33.611%0.10718%0.176CC..  trans-56.4131.6173.8-168.926.5000111.1E107 A108 P109 K113 N115 M119E107-N111 HydrophobicContact CB-CB 4.23Å; E107-N111 HydrophobicContact CG-CB 4.37Å; E107-N111 WeakPolarHBondContact OE2-CB 3.23Å; E107-N111 PolarHBondContact OE2-ND2 3.39Å; A108-N111 WeakPolarHBondContact O-CB 3.17Å; A108-N111 PolarHBondContact O-N 3.05Å; P109-N111 PolarHBondContact O-N 3.09Å; N111-K113 PolarHBondContact O-N 3.5Å; N111-N115 WeakPolarHBondContact OD1-CB 3.39Å; N111-M119 WeakPolarHBondContact ND2-CE 3.23Å
112P96.1Very high97.1Very high59 Ų5932.6 Ų32.638%0.38317%0.172SC..  trans-54.3138.5179.2-29.336000112.5A114 N115 R116P112-A114 PolarHBondContact O-N 3.23Å; P112-N115 HydrophobicContact CB-CB 4.37Å; P112-N115 WeakPolarHBondContact O-CA 3.34Å; P112-N115 WeakPolarHBondContact O-CB 3.42Å; P112-N115 PolarHBondContact O-N 2.92Å; P112-R116 PolarHBondContact O-N 3.12Å
113K96.5Very high97.1Very high146 Ų14631.5 Ų31.564%0.63516%0.164SC*.Hα-helixtrans-54.6-41.1179.5-74.5-170175.3-175.40113N111 N115 R116 E117 H371N111-K113 PolarHBondContact O-N 3.5Å; K113-N115 PolarHBondContact O-N 2.81Å; K113-R116 WeakPolarHBondContact O-CB 3.12Å; K113-R116 PolarHBondContact O-N 2.77Å; K113-R116 VanDerWaalsContact O-N 3.13Å; K113-E117 PolarHBondContact O-N 3.3Å; K113-H371 VanDerWaalsContact CB-CE1 3.47Å; K113-H371 WeakPolarHBondContact CB-CE1 3.03Å; K113-H371 PolarHBondContact O-CE1 3.14Å
114A97.6Very high97.1Very high66 Ų6631.5 Ų31.555%0.54516%0.164SC..Hα-helixtrans-59.7-34.4176.200000112.4P112 E117 K118P112-A114 PolarHBondContact O-N 3.23Å; A114-E117 PolarHBondContact O-N 3.04Å; A114-K118 WeakPolarHBondContact O-CB 3.31Å; A114-K118 PolarHBondContact O-N 2.82Å
115N97.7Very high97.1Very high22 Ų2236.2 Ų36.212%0.11819%0.187CC..Hα-helixtrans-70-40.5176.3-75.925.8000111.3I75 V76 W79 N111 P112 K113 E117 K118 M119I75-N115 WeakPolarHBondContact CG2-ND2 3.49Å; V76-N115 PolarHBondContact O-ND2 2.98Å; V76-N115 VanDerWaalsContact O-ND2 3.14Å; W79-N115 HydrophobicContact CH2-CB 4.21Å; W79-N115 WeakPolarHBondContact CH2-O 3.31Å; W79-N115 HydrophobicContact CZ2-CB 3.76Å; N111-N115 WeakPolarHBondContact OD1-CB 3.39Å; P112-N115 HydrophobicContact CB-CB 4.37Å; P112-N115 WeakPolarHBondContact O-CA 3.34Å; P112-N115 WeakPolarHBondContact O-CB 3.42Å; P112-N115 PolarHBondContact O-N 2.92Å; K113-N115 PolarHBondContact O-N 2.81Å; N115-E117 VanDerWaalsContact C-N 3.32Å; N115-E117 PolarHBondContact O-N 3.23Å; N115-K118 PolarHBondContact O-N 3.11Å; N115-M119 WeakPolarHBondContact O-CG 3.45Å; N115-M119 PolarHBondContact O-N 3.29Å
116R97.7Very high97.1Very high24 Ų2439.6 Ų39.69%0.09121%0.207CC..Hα-helixtrans-59.5-45.1174.6-49.6-176.385.2-155.311.9111.5E107 P112 K113 M119 T120 V370 C374E107-R116 IonicContact OE1-CZ 3.48Å; E107-R116 VanDerWaalsContact OE1-CZ 3.23Å; E107-R116 IonicContact OE1-NE 2.83Å; E107-R116 PolarHBondContact OE1-NE 3.34Å; E107-R116 IonicContact OE1-NH2 3.97Å; E107-R116 PolarHBondContact OE1-NH2 3.28Å; E107-R116 WeakPolarHBondContact OE2-CG 3.33Å; E107-R116 IonicContact OE2-NE 2.73Å; E107-R116 PolarHBondContact OE2-NE 3.07Å; P112-R116 PolarHBondContact O-N 3.12Å; K113-R116 WeakPolarHBondContact O-CB 3.12Å; K113-R116 PolarHBondContact O-N 2.77Å; K113-R116 VanDerWaalsContact O-N 3.13Å; R116-M119 HydrophobicContact CB-CE 4.5Å; R116-M119 PolarHBondContact O-N 2.87Å; R116-T120 WeakPolarHBondContact O-CB 3.49Å; R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 VanDerWaalsContact O-N 3.07Å; R116-T120 PolarHBondContact O-OG1 3.22Å; R116-V370 HydrophobicContact CB-CG1 3.76Å; R116-V370 HydrophobicContact CB-CG2 4.26Å; R116-C374 VanDerWaalsContact CZ-O 3.31Å; R116-C374 PolarHBondContact NH1-O 3.02Å; R116-C374 PolarHBondContact NH2-O 3.31Å
117E98.4Very high97.1Very high69 Ų6939.9 Ų39.932%0.32221%0.208SC..Hα-helixtrans-61.7-43.5175.4-72.2174.3-157.200111.3K113 A114 N115 T120 Q121 P367 V370 H371K113-E117 PolarHBondContact O-N 3.3Å; A114-E117 PolarHBondContact O-N 3.04Å; N115-E117 VanDerWaalsContact C-N 3.32Å; N115-E117 PolarHBondContact O-N 3.23Å; E117-T120 WeakPolarHBondContact O-CB 3.34Å; E117-T120 PolarHBondContact O-N 2.83Å; E117-Q121 WeakPolarHBondContact O-CB 3.3Å; E117-Q121 PolarHBondContact O-N 2.85Å; E117-P367 HydrophobicContact CB-CB 3.76Å; E117-P367 HydrophobicContact CG-CB 4.08Å; E117-V370 HydrophobicContact CG-CG1 4.4Å; E117-H371 WeakPolarHBondContact CG-NE2 3.28Å; E117-H371 IonicContact OE1-CD2 3.49Å; E117-H371 PolarHBondContact OE1-CD2 3.19Å; E117-H371 IonicContact OE1-CE1 3.87Å; E117-H371 IonicContact OE1-NE2 2.74Å; E117-H371 PolarHBondContact OE1-NE2 3.23Å
118K98.4Very high97.2Very high62 Ų6243.6 Ų43.627%0.2723%0.229SC..Hα-helixtrans-67.5-39.5-179.6-169.759.9-178.5172.10113W79 A114 N115 T120 Q121 I122W79-K118 HydrophobicContact CD2-CB 4.14Å; W79-K118 HydrophobicContact CD2-CG 3.37Å; W79-K118 VanDerWaalsContact CE2-CG 3.47Å; W79-K118 HydrophobicContact CE3-CB 4.39Å; W79-K118 HydrophobicContact CE3-CG 3.72Å; W79-K118 HydrophobicContact CG-CG 3.77Å; W79-K118 HydrophobicContact CH2-CB 4Å; W79-K118 HydrophobicContact CH2-CG 4.23Å; W79-K118 HydrophobicContact CZ2-CB 3.72Å; W79-K118 HydrophobicContact CZ2-CG 3.92Å; W79-K118 HydrophobicContact CZ3-CB 4.31Å; W79-K118 HydrophobicContact CZ3-CG 4.12Å; A114-K118 WeakPolarHBondContact O-CB 3.31Å; A114-K118 PolarHBondContact O-N 2.82Å; N115-K118 PolarHBondContact O-N 3.11Å; K118-T120 VanDerWaalsContact C-N 3.27Å; K118-T120 PolarHBondContact O-N 2.81Å; K118-Q121 PolarHBondContact O-N 3.06Å; K118-I122 HydrophobicContact CD-CD1 4.28Å; K118-I122 HydrophobicContact CD-CG1 4.45Å; K118-I122 HydrophobicContact CG-CD1 4Å; K118-I122 WeakPolarHBondContact O-CD1 3.21Å; K118-I122 VanDerWaalsContact O-CG1 3.3Å; K118-I122 WeakPolarHBondContact O-CG1 3.46Å; K118-I122 PolarHBondContact O-N 3.43Å
119M97.7Very high97.4Very high5 Ų543.5 Ų43.53%0.02523%0.228CC..Hα-helixtrans-56.9-45.9170.3-65-168.5-75.400110.7W79 W86 L105 E107 N111 N115 R116 I122 M123 V134W79-M119 HydrophobicContact CH2-CG 3.55Å; W79-M119 HydrophobicContact CZ3-CG 3.74Å; W86-M119 HydrophobicContact CH2-CB 4.22Å; W86-M119 HydrophobicContact CH2-CG 3.93Å; W86-M119 HydrophobicContact CZ2-CG 4.4Å; L105-M119 HydrophobicContact CD1-CB 4.3Å; E107-M119 HydrophobicContact CB-CE 4.28Å; N111-M119 WeakPolarHBondContact ND2-CE 3.23Å; N115-M119 WeakPolarHBondContact O-CG 3.45Å; N115-M119 PolarHBondContact O-N 3.29Å; R116-M119 HydrophobicContact CB-CE 4.5Å; R116-M119 PolarHBondContact O-N 2.87Å; M119-I122 PolarHBondContact O-N 2.77Å; M119-M123 WeakPolarHBondContact O-CG 3.27Å; M119-M123 PolarHBondContact O-N 3.49Å; M119-V134 HydrophobicContact CE-CG1 3.73Å; M119-V134 HydrophobicContact CE-CG2 4.22Å
120T98.2Very high97.5Very high0 Ų045.8 Ų45.80%024%0.243CC..Hα-helixtrans-62.4-47.6-178.7-54.10000111.6R116 E117 K118 I122 M123 F124 M132 Y362 I369 V370R116-T120 WeakPolarHBondContact O-CB 3.49Å; R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 VanDerWaalsContact O-N 3.07Å; R116-T120 PolarHBondContact O-OG1 3.22Å; E117-T120 WeakPolarHBondContact O-CB 3.34Å; E117-T120 PolarHBondContact O-N 2.83Å; K118-T120 VanDerWaalsContact C-N 3.27Å; K118-T120 PolarHBondContact O-N 2.81Å; T120-I122 PolarHBondContact O-N 3.37Å; T120-M123 PolarHBondContact O-N 3.45Å; T120-F124 HydrophobicContact CG2-CD2 3.82Å; T120-F124 HydrophobicContact CG2-CE2 3.86Å; T120-F124 VanDerWaalsContact O-CD2 3.3Å; T120-F124 WeakPolarHBondContact O-CD2 3.35Å; T120-F124 PolarHBondContact O-N 2.73Å; T120-M132 VanDerWaalsContact CA-SD 3.57Å; T120-M132 HydrophobicContact CG2-SD 3.99Å; T120-Y362 HydrophobicContact CG2-CD2 3.8Å; T120-Y362 HydrophobicContact CG2-CE2 4Å; T120-I369 HydrophobicContact CG2-CG2 4.34Å; T120-V370 WeakPolarHBondContact OG1-CB 3.33Å
121Q98.4Very high97.8Very high58 Ų5841.3 Ų41.327%0.27122%0.221SC..Hα-helixtrans-57-49.9176.5-171.1-169.91.500111.4E117 K118 M123 F124 E125 P367E117-Q121 WeakPolarHBondContact O-CB 3.3Å; E117-Q121 PolarHBondContact O-N 2.85Å; K118-Q121 PolarHBondContact O-N 3.06Å; Q121-M123 PolarHBondContact O-N 2.96Å; Q121-F124 PolarHBondContact O-N 3.49Å; Q121-E125 HydrophobicContact CG-CG 4.11Å; Q121-E125 WeakPolarHBondContact CG-OE2 3.47Å; Q121-E125 PolarHBondContact NE2-OE2 2.94Å; Q121-E125 VanDerWaalsContact O-CB 3.22Å; Q121-E125 WeakPolarHBondContact O-CB 3.3Å; Q121-E125 WeakPolarHBondContact O-CG 3.23Å; Q121-E125 PolarHBondContact O-N 2.89Å; Q121-P367 HydrophobicContact CB-CG 4.17Å
122I98.5Very high98Very high2 Ų240.3 Ų40.31%0.0122%0.216CC..Hα-helixtrans-63.5-45.9-176.3-69.9164.8000111.3W79 E83 W86 K118 M119 T120 F124 T126 F127W79-I122 HydrophobicContact CD2-CD1 4.27Å; W79-I122 HydrophobicContact CE3-CD1 3.49Å; W79-I122 VanDerWaalsContact CE3-CD1 3.49Å; W79-I122 HydrophobicContact CZ3-CD1 4.11Å; E83-I122 HydrophobicContact CG-CD1 3.8Å; E83-I122 HydrophobicContact CG-CG1 4.18Å; E83-I122 HydrophobicContact CG-CG2 3.73Å; E83-I122 WeakPolarHBondContact OE1-CD1 3.49Å; W86-I122 HydrophobicContact CE3-CG2 3.8Å; W86-I122 HydrophobicContact CZ3-CB 4.02Å; W86-I122 HydrophobicContact CZ3-CD1 3.86Å; W86-I122 HydrophobicContact CZ3-CG2 3.64Å; K118-I122 HydrophobicContact CD-CD1 4.28Å; K118-I122 HydrophobicContact CD-CG1 4.45Å; K118-I122 HydrophobicContact CG-CD1 4Å; K118-I122 WeakPolarHBondContact O-CD1 3.21Å; K118-I122 VanDerWaalsContact O-CG1 3.3Å; K118-I122 WeakPolarHBondContact O-CG1 3.46Å; K118-I122 PolarHBondContact O-N 3.43Å; M119-I122 PolarHBondContact O-N 2.77Å; T120-I122 PolarHBondContact O-N 3.37Å; I122-F124 VanDerWaalsContact C-N 3.32Å; I122-F124 PolarHBondContact O-N 2.88Å; I122-T126 WeakPolarHBondContact O-CA 3.33Å; I122-T126 VanDerWaalsContact O-CB 3.23Å; I122-T126 WeakPolarHBondContact O-CB 3.34Å; I122-T126 PolarHBondContact O-N 3.11Å; I122-F127 HydrophobicContact CG2-CD2 3.77Å; I122-F127 HydrophobicContact CG2-CE2 3.63Å; I122-F127 PolarHBondContact O-N 2.61Å; I122-F127 VanDerWaalsContact O-N 3.11Å
123M98.6Very high98.1Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-59.6-43.5-179.8-71.4-64.3133.800111.8W86 F90 V103 L105 M119 T120 Q121 F127 N128 T129 M132W86-M123 HydrophobicContact CB-CE 4.26Å; W86-M123 HydrophobicContact CD2-CE 3.33Å; W86-M123 HydrophobicContact CE3-CE 3.35Å; W86-M123 HydrophobicContact CG-CE 3.78Å; W86-M123 HydrophobicContact CH2-CE 4Å; W86-M123 HydrophobicContact CZ2-CE 4.05Å; W86-M123 HydrophobicContact CZ3-CE 3.7Å; F90-M123 HydrophobicContact CE2-CE 4.26Å; F90-M123 HydrophobicContact CE2-SD 4.32Å; F90-M123 HydrophobicContact CZ-CE 4.28Å; F90-M123 HydrophobicContact CZ-SD 4.13Å; V103-M123 HydrophobicContact CG1-SD 4.23Å; L105-M123 HydrophobicContact CD1-CE 3.97Å; L105-M123 HydrophobicContact CD1-CG 3.55Å; L105-M123 HydrophobicContact CD1-SD 4.01Å; L105-M123 HydrophobicContact CD2-CE 4.16Å; M119-M123 WeakPolarHBondContact O-CG 3.27Å; M119-M123 PolarHBondContact O-N 3.49Å; T120-M123 PolarHBondContact O-N 3.45Å; Q121-M123 PolarHBondContact O-N 2.96Å; M123-F127 HydrophobicContact CE-CD2 3.91Å; M123-F127 HydrophobicContact CE-CE2 4.16Å; M123-F127 CarbonylContact O-C 3.35Å; M123-F127 HydrophobicContact SD-CD2 4.23Å; M123-N128 PolarHBondContact O-N 3.11Å; M123-T129 HydrophobicContact CB-CG2 4.31Å; M123-T129 PolarHBondContact O-N 3.25Å; M123-T129 PolarHBondContact O-OG1 3.34Å; M123-T129 HydrophobicContact SD-CG2 4.18Å; M123-M132 HydrophobicContact CB-CG 4.49Å; M123-M132 HydrophobicContact CB-SD 3.63Å; M123-M132 HydrophobicContact CG-SD 3.99Å
124F98.6Very high98.1Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-83.4-34.9-178.6-74.5-58.5000115.3T120 Q121 I122 N128 T129 M132 I357 K359 Y362T120-F124 HydrophobicContact CG2-CD2 3.82Å; T120-F124 HydrophobicContact CG2-CE2 3.86Å; T120-F124 VanDerWaalsContact O-CD2 3.3Å; T120-F124 WeakPolarHBondContact O-CD2 3.35Å; T120-F124 PolarHBondContact O-N 2.73Å; Q121-F124 PolarHBondContact O-N 3.49Å; I122-F124 VanDerWaalsContact C-N 3.32Å; I122-F124 PolarHBondContact O-N 2.88Å; F124-N128 WeakPolarHBondContact O-CA 3.32Å; F124-N128 PolarHBondContact O-OD1 3.32Å; F124-T129 WeakPolarHBondContact CD1-O 3.46Å; F124-T129 WeakPolarHBondContact CE1-O 3.44Å; F124-M132 HydrophobicContact CD2-CG 4.21Å; F124-M132 HydrophobicContact CD2-SD 4.19Å; F124-M132 HydrophobicContact CE1-CG 4.31Å; F124-M132 HydrophobicContact CE2-CG 3.45Å; F124-M132 VanDerWaalsContact CE2-CG 3.45Å; F124-M132 HydrophobicContact CE2-SD 3.89Å; F124-M132 HydrophobicContact CZ-CG 3.53Å; F124-I357 HydrophobicContact CE2-CB 4.49Å; F124-I357 HydrophobicContact CE2-CG2 3.9Å; F124-I357 HydrophobicContact CZ-CB 4.29Å; F124-I357 HydrophobicContact CZ-CG2 3.91Å; F124-I357 WeakPolarHBondContact CZ-O 3.42Å; F124-K359 HydrophobicContact CB-CD 4.13Å; F124-K359 HydrophobicContact CD1-CB 4.14Å; F124-K359 HydrophobicContact CD1-CD 3.52Å; F124-K359 HydrophobicContact CD1-CG 4.44Å; F124-K359 VanDerWaalsContact CE1-CA 3.5Å; F124-K359 HydrophobicContact CE1-CB 4.02Å; F124-K359 HydrophobicContact CE1-CD 4.26Å; F124-K359 HydrophobicContact CG-CD 4.15Å; F124-K359 PolarHBondContact O-NZ 3.18Å; F124-Y362 HydrophobicContact CB-CD1 3.65Å; F124-Y362 HydrophobicContact CB-CD2 4.29Å; F124-Y362 HydrophobicContact CB-CE1 3.76Å; F124-Y362 HydrophobicContact CB-CE2 4.35Å; F124-Y362 HydrophobicContact CB-CG 3.93Å; F124-Y362 HydrophobicContact CD1-CG 4.5Å; F124-Y362 AromaticContact CD2-CD1 3.97Å; F124-Y362 HydrophobicContact CD2-CD1 3.97Å; F124-Y362 AromaticContact CD2-CD2 3.32Å; F124-Y362 HydrophobicContact CD2-CD2 3.32Å; F124-Y362 AromaticContact CD2-CE2 3.95Å; F124-Y362 HydrophobicContact CD2-CE2 3.95Å; F124-Y362 AromaticContact CD2-CG 3.31Å; F124-Y362 HydrophobicContact CD2-CG 3.31Å; F124-Y362 AromaticContact CE2-CD2 3.86Å; F124-Y362 HydrophobicContact CE2-CD2 3.86Å; F124-Y362 AromaticContact CE2-CG 3.83Å; F124-Y362 HydrophobicContact CE2-CG 3.83Å; F124-Y362 AromaticContact CG-CD1 3.88Å; F124-Y362 HydrophobicContact CG-CD1 3.88Å; F124-Y362 HydrophobicContact CG-CD2 4.08Å; F124-Y362 HydrophobicContact CG-CE1 4.43Å; F124-Y362 AromaticContact CG-CG 3.68Å; F124-Y362 HydrophobicContact CG-CG 3.68Å
125E98.4Very high98.1Very high100 Ų10028.9 Ų28.947%0.46715%0.149SC..Hα-helixtrans-94.3-34.9-174.5-63.6-177.4-177.800112.8Q121 Y362Q121-E125 HydrophobicContact CG-CG 4.11Å; Q121-E125 WeakPolarHBondContact CG-OE2 3.47Å; Q121-E125 PolarHBondContact NE2-OE2 2.94Å; Q121-E125 VanDerWaalsContact O-CB 3.22Å; Q121-E125 WeakPolarHBondContact O-CB 3.3Å; Q121-E125 WeakPolarHBondContact O-CG 3.23Å; Q121-E125 PolarHBondContact O-N 2.89Å; E125-Y362 VanDerWaalsContact CD-OH 3.29Å; E125-Y362 HydrophobicContact CG-CE1 4.06Å; E125-Y362 PolarHBondContact OE1-OH 3.32Å
126T98.3Very high98.1Very high71 Ų7128.6 Ų28.644%0.43615%0.147SC..THydrogen-bonded Turntrans-95.4-48.6-178.3-52.80000111.2I122I122-T126 WeakPolarHBondContact O-CA 3.33Å; I122-T126 VanDerWaalsContact O-CB 3.23Å; I122-T126 WeakPolarHBondContact O-CB 3.34Å; I122-T126 PolarHBondContact O-N 3.11Å
127F98.4Very high98.1Very high8 Ų828.2 Ų28.24%0.03515%0.146CC..SBendtrans-93.8-6.1-178.3-65.6-67.9000114.1W86 H87 F90 Y91 P98 I122 M123 T129W86-F127 HydrophobicContact CB-CE2 3.73Å; W86-F127 HydrophobicContact CB-CZ 3.71Å; W86-F127 HydrophobicContact CE3-CE2 4.07Å; H87-F127 HydrophobicContact CB-CE1 4.1Å; H87-F127 HydrophobicContact CB-CZ 4.2Å; F90-F127 AromaticContact CD2-CD1 3.81Å; F90-F127 HydrophobicContact CD2-CD1 3.81Å; F90-F127 AromaticContact CD2-CE1 3.89Å; F90-F127 HydrophobicContact CD2-CE1 3.89Å; F90-F127 HydrophobicContact CD2-CG 4.23Å; F90-F127 HydrophobicContact CD2-CZ 4.39Å; F90-F127 AromaticContact CE2-CD1 3.99Å; F90-F127 HydrophobicContact CE2-CD1 3.99Å; F90-F127 HydrophobicContact CE2-CD2 4.11Å; F90-F127 HydrophobicContact CE2-CE1 4.21Å; F90-F127 HydrophobicContact CE2-CE2 4.32Å; F90-F127 AromaticContact CE2-CG 3.94Å; F90-F127 HydrophobicContact CE2-CG 3.94Å; F90-F127 HydrophobicContact CE2-CZ 4.37Å; Y91-F127 HydrophobicContact CE2-CD1 4.5Å; Y91-F127 HydrophobicContact CE2-CE1 4.35Å; P98-F127 HydrophobicContact CB-CB 4.16Å; P98-F127 HydrophobicContact CG-CB 3.98Å; P98-F127 HydrophobicContact CG-CD1 3.85Å; P98-F127 HydrophobicContact CG-CG 4.33Å; I122-F127 HydrophobicContact CG2-CD2 3.77Å; I122-F127 HydrophobicContact CG2-CE2 3.63Å; I122-F127 PolarHBondContact O-N 2.61Å; I122-F127 VanDerWaalsContact O-N 3.11Å; M123-F127 HydrophobicContact CE-CD2 3.91Å; M123-F127 HydrophobicContact CE-CE2 4.16Å; M123-F127 CarbonylContact O-C 3.35Å; M123-F127 HydrophobicContact SD-CD2 4.23Å; F127-T129 HydrophobicContact CB-CG2 4.09Å; F127-T129 PolarHBondContact O-N 3.32Å; F127-T129 VanDerWaalsContact O-N 3.08Å
128N98.2Very high98Very high90 Ų9025 Ų2548%0.48113%0.131SC..  trans50.333178.5-60.9-64.6000114.1E99 M123 F124E99-N128 WeakPolarHBondContact CA-O 3.38Å; E99-N128 HydrophobicContact CB-CB 4.13Å; M123-N128 PolarHBondContact O-N 3.11Å; F124-N128 WeakPolarHBondContact O-CA 3.32Å; F124-N128 PolarHBondContact O-OD1 3.32Å
129T98.3Very high98Very high0 Ų023 Ų230%012%0.124CC..  trans-59136.1-179.658.40000110.2P98 V103 M123 F124 F127 A131P98-T129 HydrophobicContact CB-CG2 4.2Å; V103-T129 HydrophobicContact CB-CG2 4.26Å; V103-T129 HydrophobicContact CG2-CG2 3.52Å; M123-T129 HydrophobicContact CB-CG2 4.31Å; M123-T129 PolarHBondContact O-N 3.25Å; M123-T129 PolarHBondContact O-OG1 3.34Å; M123-T129 HydrophobicContact SD-CG2 4.18Å; F124-T129 WeakPolarHBondContact CD1-O 3.46Å; F124-T129 WeakPolarHBondContact CE1-O 3.44Å; F127-T129 HydrophobicContact CB-CG2 4.09Å; F127-T129 PolarHBondContact O-N 3.32Å; F127-T129 VanDerWaalsContact O-N 3.08Å; T129-A131 VanDerWaalsContact C-N 3.27Å; T129-A131 PolarHBondContact O-N 3.5Å
130P97.7Very high98Very high52 Ų5222.8 Ų22.834%0.33812%0.123SC..SBendtrans-67-30.7-177.726.3-35000112.4E99 H101 K359E99-P130 WeakPolarHBondContact O-CD 3.33Å; H101-P130 VanDerWaalsContact O-CD 3.3Å; H101-P130 WeakPolarHBondContact O-CD 3.41Å; P130-K359 PolarHBondContact O-N 3.25Å
131A98Very high98Very high13 Ų1322.8 Ų22.811%0.10712%0.123CC..EExtended strand (participates in β ladder)trans-154.6156.9175.100000110.9P102 V103 T129 W356 I357P102-A131 CarbonylContact C-O 3.57Å; P102-A131 VanDerWaalsContact CA-O 3.25Å; P102-A131 WeakPolarHBondContact CA-O 3.49Å; P102-A131 HydrophobicContact CB-CB 4.2Å; V103-A131 PolarHBondContact N-O 2.79Å; T129-A131 VanDerWaalsContact C-N 3.27Å; T129-A131 PolarHBondContact O-N 3.5Å; A131-W356 HydrophobicContact CB-CB 4.1Å; A131-W356 HydrophobicContact CB-CG 4.44Å; A131-I357 CarbonylContact C-O 3.47Å; A131-I357 WeakPolarHBondContact CA-O 3.33Å; A131-I357 WeakPolarHBondContact CB-O 3.4Å
132M98Very high97.9Very high0 Ų020.1 Ų20.10%011%0.111CC..EExtended strand (participates in β ladder)trans-149.6164.1173.865.1154.5-70.700113.4V103 L105 T120 M123 F124 V134 I357V103-M132 CarbonylContact O-C 3.59Å; V103-M132 WeakPolarHBondContact O-CA 3.29Å; V103-M132 VanDerWaalsContact O-CB 3.26Å; V103-M132 WeakPolarHBondContact O-CB 3.37Å; L105-M132 HydrophobicContact CD1-CE 4.22Å; T120-M132 VanDerWaalsContact CA-SD 3.57Å; T120-M132 HydrophobicContact CG2-SD 3.99Å; M123-M132 HydrophobicContact CB-CG 4.49Å; M123-M132 HydrophobicContact CB-SD 3.63Å; M123-M132 HydrophobicContact CG-SD 3.99Å; F124-M132 HydrophobicContact CD2-CG 4.21Å; F124-M132 HydrophobicContact CD2-SD 4.19Å; F124-M132 HydrophobicContact CE1-CG 4.31Å; F124-M132 HydrophobicContact CE2-CG 3.45Å; F124-M132 VanDerWaalsContact CE2-CG 3.45Å; F124-M132 HydrophobicContact CE2-SD 3.89Å; F124-M132 HydrophobicContact CZ-CG 3.53Å; M132-V134 HydrophobicContact CE-CG2 3.38Å; M132-I357 PolarHBondContact N-O 2.93Å; M132-I357 WeakPolarHBondContact O-CB 3.48Å; M132-I357 PolarHBondContact O-N 3.37Å
133Y98.2Very high97.7Very high22 Ų2223.4 Ų23.49%0.08612%0.124CC..EExtended strand (participates in β ladder)trans-146.5148.5174.2-168.7-94000109.9V103 L104 L105 A135 F352 M355 K373 C374V103-Y133 PolarHBondContact O-N 3.21Å; L104-Y133 WeakPolarHBondContact CA-O 3.25Å; L104-Y133 HydrophobicContact CD1-CD1 4.41Å; L105-Y133 PolarHBondContact N-O 3.04Å; Y133-A135 HydrophobicContact CD1-CB 4.06Å; Y133-A135 HydrophobicContact CE1-CB 3.9Å; Y133-F352 HydrophobicContact CD1-CE2 4.14Å; Y133-F352 AromaticContact CD1-CZ 3.6Å; Y133-F352 HydrophobicContact CD1-CZ 3.6Å; Y133-F352 HydrophobicContact CD2-CE2 4.32Å; Y133-F352 AromaticContact CD2-CZ 3.92Å; Y133-F352 HydrophobicContact CD2-CZ 3.92Å; Y133-F352 HydrophobicContact CE1-CE2 4.07Å; Y133-F352 HydrophobicContact CE1-CZ 4.02Å; Y133-F352 HydrophobicContact CE2-CE2 4.25Å; Y133-F352 HydrophobicContact CE2-CZ 4.3Å; Y133-F352 HydrophobicContact CG-CE1 4.47Å; Y133-F352 HydrophobicContact CG-CE2 4.27Å; Y133-F352 AromaticContact CG-CZ 3.55Å; Y133-F352 HydrophobicContact CG-CZ 3.55Å; Y133-M355 HydrophobicContact CD2-CB 4.43Å; Y133-M355 WeakPolarHBondContact CD2-O 3.35Å; Y133-M355 HydrophobicContact CE2-CB 4.13Å; Y133-M355 HydrophobicContact CE2-CE 4.47Å; Y133-K373 WeakPolarHBondContact CE2-O 3.41Å; Y133-C374 WeakPolarHBondContact CD2-SG 3.27Å; Y133-C374 HydrophobicContact CE2-CB 4.27Å; Y133-C374 VanDerWaalsContact CE2-SG 3.5Å
134V97.9Very high97.6Very high1 Ų124.6 Ų24.61%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-115.9125.9173.7-1740000109L105 E107 M119 M132 V370 C374L105-V134 CarbonylContact O-C 3.56Å; L105-V134 WeakPolarHBondContact O-CA 3.13Å; E107-V134 HydrophobicContact CB-CG1 3.92Å; E107-V134 HydrophobicContact CG-CG1 3.65Å; E107-V134 WeakPolarHBondContact OE2-CG1 3.28Å; M119-V134 HydrophobicContact CE-CG1 3.73Å; M119-V134 HydrophobicContact CE-CG2 4.22Å; M132-V134 HydrophobicContact CE-CG2 3.38Å; V134-V370 HydrophobicContact CB-CG2 4.36Å; V134-V370 HydrophobicContact CG2-CG2 4Å; V134-C374 HydrophobicContact CB-CB 4.4Å; V134-C374 PolarHBondContact N-SG 3.29Å; V134-C374 VanDerWaalsContact N-SG 3.38Å; V134-C374 WeakPolarHBondContact O-CB 3.42Å
135A97.2Very high97.4Very high7 Ų725.8 Ų25.86%0.05814%0.142CC..EExtended strand (participates in β ladder)trans-125.2143.5-178.900000112.3L104 L105 T106 E107 Y133 Q137 L140L104-A135 HydrophobicContact CD2-CB 4.31Å; L105-A135 PolarHBondContact O-N 2.93Å; T106-A135 CarbonylContact C-O 3.57Å; T106-A135 VanDerWaalsContact CA-O 3.3Å; T106-A135 WeakPolarHBondContact CA-O 3.47Å; E107-A135 PolarHBondContact N-O 2.74Å; Y133-A135 HydrophobicContact CD1-CB 4.06Å; Y133-A135 HydrophobicContact CE1-CB 3.9Å; A135-Q137 PolarHBondContact O-N 3.02Å; A135-L140 HydrophobicContact CB-CD1 3.87Å; A135-L140 HydrophobicContact CB-CD2 3.77Å; A135-L140 HydrophobicContact CB-CG 3.87Å
136I96.8Very high97.3Very high17 Ų1724.4 Ų24.49%0.08716%0.155CC..EExtended strand (participates in β ladder)trans-69.7127177.3-60.7172.7000109.5E107 P109 A138 V139 L140 A170E107-I136 HydrophobicContact CG-CG1 4.43Å; E107-I136 WeakPolarHBondContact O-CA 3.46Å; P109-I136 HydrophobicContact CB-CG2 4.15Å; I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 HydrophobicContact CG2-CB 4.29Å; I136-A138 PolarHBondContact O-N 3.3Å; I136-V139 HydrophobicContact CB-CB 4.27Å; I136-V139 HydrophobicContact CB-CG2 3.93Å; I136-V139 HydrophobicContact CG2-CG2 4.23Å; I136-V139 WeakPolarHBondContact O-CB 3.37Å; I136-V139 PolarHBondContact O-N 3.07Å; I136-L140 PolarHBondContact O-N 3.11Å; I136-L140 VanDerWaalsContact O-N 3.14Å; I136-A170 HydrophobicContact CD1-CB 4.17Å
137Q97.8Very high97.1Very high16 Ų1624 Ų248%0.07515%0.145CC..Hα-helixtrans-51.4-44.1-177.8-72174.9-37.800113.2D11 N12 T106 E107 A135 L140 S141 V339D11-Q137 PolarHBondContact OD1-NE2 3.49Å; D11-Q137 VanDerWaalsContact OD1-NE2 3.09Å; N12-Q137 PolarHBondContact O-NE2 2.87Å; T106-Q137 PolarHBondContact OG1-NE2 3.13Å; E107-Q137 WeakPolarHBondContact O-CG 3.33Å; E107-Q137 PolarHBondContact O-N 2.77Å; A135-Q137 PolarHBondContact O-N 3.02Å; Q137-L140 PolarHBondContact O-N 3.07Å; Q137-S141 WeakPolarHBondContact O-CB 3.27Å; Q137-S141 PolarHBondContact O-N 2.83Å; Q137-S141 PolarHBondContact O-OG 2.97Å; Q137-V339 HydrophobicContact CB-CG1 3.94Å; Q137-V339 HydrophobicContact CB-CG2 3.91Å; Q137-V339 HydrophobicContact CG-CG1 3.8Å; Q137-V339 HydrophobicContact CG-CG2 4.4Å
138A97.5Very high97Very high1 Ų126.9 Ų26.91%0.00816%0.164CC..Hα-helixtrans-65.8-38.8178.600000112.9I136 S141 L142 V152 V163I136-A138 VanDerWaalsContact C-N 3.28Å; I136-A138 HydrophobicContact CG2-CB 4.29Å; I136-A138 PolarHBondContact O-N 3.3Å; A138-S141 PolarHBondContact O-N 3.47Å; A138-L142 PolarHBondContact O-N 2.86Å; A138-V152 HydrophobicContact CB-CB 4.01Å; A138-V152 HydrophobicContact CB-CG1 4.07Å; A138-V152 WeakPolarHBondContact O-CG2 3.38Å; A138-V163 HydrophobicContact CB-CB 3.52Å; A138-V163 HydrophobicContact CB-CG1 3.9Å; A138-V163 HydrophobicContact CB-CG2 3.5Å; A138-V163 VanDerWaalsContact CB-CG2 3.5Å
139V97.2Very high97Very high19 Ų1923.8 Ų23.812%0.11515%0.148CC..Hα-helixtrans-63.3-46.5177.6175.20000110.1I136 S141 L142 Y143 I165 A170I136-V139 HydrophobicContact CB-CB 4.27Å; I136-V139 HydrophobicContact CB-CG2 3.93Å; I136-V139 HydrophobicContact CG2-CG2 4.23Å; I136-V139 WeakPolarHBondContact O-CB 3.37Å; I136-V139 PolarHBondContact O-N 3.07Å; V139-S141 VanDerWaalsContact C-N 3.31Å; V139-S141 PolarHBondContact O-N 3.03Å; V139-L142 PolarHBondContact O-N 2.91Å; V139-Y143 HydrophobicContact CG1-CD2 3.86Å; V139-Y143 HydrophobicContact CG1-CE2 3.67Å; V139-Y143 VanDerWaalsContact O-CD2 3.28Å; V139-Y143 WeakPolarHBondContact O-CD2 3.48Å; V139-Y143 PolarHBondContact O-N 3.29Å; V139-I165 HydrophobicContact CB-CD1 4.44Å; V139-I165 HydrophobicContact CG2-CD1 4.01Å; V139-I165 HydrophobicContact CG2-CG1 4.14Å; V139-A170 HydrophobicContact CG2-CB 4.04Å
140L97.6Very high97Very high1 Ų123.8 Ų23.81%0.00515%0.148CC..Hα-helixtrans-59.6-42.5174.6-61.7-177.8000111.9L104 T106 A135 I136 Q137 L142 Y143 A144 V339 G342 L346L104-L140 HydrophobicContact CD2-CD1 4.06Å; T106-L140 HydrophobicContact CG2-CD1 3.62Å; A135-L140 HydrophobicContact CB-CD1 3.87Å; A135-L140 HydrophobicContact CB-CD2 3.77Å; A135-L140 HydrophobicContact CB-CG 3.87Å; I136-L140 PolarHBondContact O-N 3.11Å; I136-L140 VanDerWaalsContact O-N 3.14Å; Q137-L140 PolarHBondContact O-N 3.07Å; L140-L142 VanDerWaalsContact C-N 3.28Å; L140-L142 PolarHBondContact O-N 3.33Å; L140-Y143 WeakPolarHBondContact O-CB 3.4Å; L140-Y143 PolarHBondContact O-N 3.02Å; L140-Y143 VanDerWaalsContact O-N 3.11Å; L140-A144 PolarHBondContact O-N 3.06Å; L140-V339 WeakPolarHBondContact CB-O 3.47Å; L140-V339 HydrophobicContact CD1-CG1 4.27Å; L140-G342 VanDerWaalsContact O-CA 3.26Å; L140-G342 WeakPolarHBondContact O-CA 3.33Å; L140-L346 HydrophobicContact CD2-CB 4.29Å; L140-L346 HydrophobicContact CD2-CD2 3.61Å
141S98Very high97Very high0 Ų021.3 Ų21.30%013%0.132CC..Hα-helixtrans-63.2-35179.1-59.30000113Q137 A138 V139 S300 V339Q137-S141 WeakPolarHBondContact O-CB 3.27Å; Q137-S141 PolarHBondContact O-N 2.83Å; Q137-S141 PolarHBondContact O-OG 2.97Å; A138-S141 PolarHBondContact O-N 3.47Å; V139-S141 VanDerWaalsContact C-N 3.31Å; V139-S141 PolarHBondContact O-N 3.03Å; S141-S300 WeakPolarHBondContact CB-OG 3.34Å; S141-S300 PolarHBondContact OG-OG 3.36Å; S141-V339 WeakPolarHBondContact OG-CG2 3.38Å; S141-V339 PolarHBondContact OG-N 2.92Å
142L97.5Very high97.1Very high2 Ų220.7 Ų20.71%0.0113%0.127CC..Hα-helixtrans-66.7-43.9172.7-170.766.5000111.1A138 V139 L140 A144 S145 R147 V152 I165 V298A138-L142 PolarHBondContact O-N 2.86Å; V139-L142 PolarHBondContact O-N 2.91Å; L140-L142 VanDerWaalsContact C-N 3.28Å; L140-L142 PolarHBondContact O-N 3.33Å; L142-A144 VanDerWaalsContact C-N 3.34Å; L142-A144 PolarHBondContact O-N 3.27Å; L142-S145 WeakPolarHBondContact O-CB 3.45Å; L142-S145 PolarHBondContact O-N 3.36Å; L142-S145 PolarHBondContact O-OG 2.88Å; L142-R147 CarbonylContact C-O 3.57Å; L142-R147 HydrophobicContact CD1-CB 3.74Å; L142-R147 HydrophobicContact CG-CB 3.88Å; L142-R147 PolarHBondContact O-N 3.49Å; L142-V152 HydrophobicContact CB-CG2 3.79Å; L142-V152 HydrophobicContact CD1-CG2 4.17Å; L142-V152 HydrophobicContact CG-CG2 4.5Å; L142-I165 HydrophobicContact CB-CD1 3.91Å; L142-I165 HydrophobicContact CD2-CB 3.67Å; L142-I165 HydrophobicContact CD2-CD1 3.74Å; L142-I165 HydrophobicContact CD2-CG1 4.33Å; L142-I165 HydrophobicContact CD2-CG2 3.67Å; L142-I165 HydrophobicContact CG-CD1 4.43Å; L142-V298 HydrophobicContact CD1-CB 4.49Å; L142-V298 HydrophobicContact CD1-CG2 3.73Å
143Y94.2Very high97.1Very high71 Ų7120.7 Ų20.728%0.27813%0.127SC..Hα-helixtrans-59.2-41.6175.8-86.8-65.9000112.7V139 L140 S145 G146 T148V139-Y143 HydrophobicContact CG1-CD2 3.86Å; V139-Y143 HydrophobicContact CG1-CE2 3.67Å; V139-Y143 VanDerWaalsContact O-CD2 3.28Å; V139-Y143 WeakPolarHBondContact O-CD2 3.48Å; V139-Y143 PolarHBondContact O-N 3.29Å; L140-Y143 WeakPolarHBondContact O-CB 3.4Å; L140-Y143 PolarHBondContact O-N 3.02Å; L140-Y143 VanDerWaalsContact O-N 3.11Å; Y143-S145 PolarHBondContact O-N 2.73Å; Y143-S145 VanDerWaalsContact O-N 3.13Å; Y143-G146 WeakPolarHBondContact O-CA 3.26Å; Y143-G146 PolarHBondContact O-N 2.84Å; Y143-T148 HydrophobicContact CE1-CG2 3.95Å
144A96.3Very high97.1Very high26 Ų2620.2 Ų20.222%0.21513%0.126CC..Hα-helixtrans-57.8-27.5175.400000112.7L140 L142 G146 S338 I341L140-A144 PolarHBondContact O-N 3.06Å; L142-A144 VanDerWaalsContact C-N 3.34Å; L142-A144 PolarHBondContact O-N 3.27Å; A144-G146 VanDerWaalsContact C-N 3.28Å; A144-G146 PolarHBondContact O-N 3.3Å; A144-S338 VanDerWaalsContact CB-O 3.27Å; A144-S338 WeakPolarHBondContact CB-O 3.37Å; A144-I341 HydrophobicContact CB-CB 4.15Å; A144-I341 HydrophobicContact CB-CG2 3.98Å
145S95Very high97.1Very high24 Ų2420.3 Ų20.317%0.16813%0.126CC..THydrogen-bonded Turntrans-83.2-1.1175.586.90000114L142 Y143 R147L142-S145 WeakPolarHBondContact O-CB 3.45Å; L142-S145 PolarHBondContact O-N 3.36Å; L142-S145 PolarHBondContact O-OG 2.88Å; Y143-S145 PolarHBondContact O-N 2.73Å; Y143-S145 VanDerWaalsContact O-N 3.13Å; S145-R147 VanDerWaalsContact CB-NH1 3.31Å; S145-R147 PolarHBondContact O-NH1 2.95Å; S145-R147 WeakPolarHBondContact OG-CD 3.5Å; S145-R147 PolarHBondContact OG-NH1 2.86Å; S145-R147 VanDerWaalsContact OG-NH1 3.07Å
146G94.5Very high97.1Very high72 Ų7220.9 Ų20.974%0.74213%0.133SC*.THydrogen-bonded Turntrans74.933-17600000113.6Y143 A144Y143-G146 WeakPolarHBondContact O-CA 3.26Å; Y143-G146 PolarHBondContact O-N 2.84Å; A144-G146 VanDerWaalsContact C-N 3.28Å; A144-G146 PolarHBondContact O-N 3.3Å
147R95.7Very high97.1Very high61 Ų6121.8 Ų21.823%0.2314%0.138CC..  trans-129.4150.8-176.2-67.4175.5-179.666.217.8111.6L142 S145 N296 I330L142-R147 CarbonylContact C-O 3.57Å; L142-R147 HydrophobicContact CD1-CB 3.74Å; L142-R147 HydrophobicContact CG-CB 3.88Å; L142-R147 PolarHBondContact O-N 3.49Å; S145-R147 VanDerWaalsContact CB-NH1 3.31Å; S145-R147 PolarHBondContact O-NH1 2.95Å; S145-R147 WeakPolarHBondContact OG-CD 3.5Å; S145-R147 PolarHBondContact OG-NH1 2.86Å; S145-R147 VanDerWaalsContact OG-NH1 3.07Å; R147-N296 WeakPolarHBondContact CD-OD1 3.18Å; R147-N296 PolarHBondContact NE-OD1 3.05Å; R147-I330 VanDerWaalsContact CZ-CD1 3.43Å; R147-I330 VanDerWaalsContact NE-CD1 3.3Å
148T95.2Very high97Very high70 Ų7021.2 Ų21.243%0.42914%0.137SC..SBendtrans-115.1-16.7172.1540000112.6Y143 I165 E167 G168Y143-T148 HydrophobicContact CE1-CG2 3.95Å; T148-I165 WeakPolarHBondContact O-CG2 3.39Å; T148-E167 PolarHBondContact O-N 3.19Å; T148-E167 VanDerWaalsContact O-N 3.16Å; T148-G168 PolarHBondContact O-N 3.06Å
149T98Very high97Very high24 Ų2421.5 Ų21.515%0.14714%0.138CC..SBendtrans-125.9133.3175.6-61.10000109.9I165 Y166 E167 D292T149-I165 WeakPolarHBondContact CA-O 3.49Å; T149-Y166 HydrophobicContact CG2-CD2 3.74Å; T149-Y166 HydrophobicContact CG2-CE2 4.31Å; T149-E167 PolarHBondContact OG1-N 3.06Å; T149-D292 HydrophobicContact CG2-CB 3.88Å
150G98.5Very high97.1Very high0 Ų020.7 Ų20.70%013%0.134CC..EExtended strand (participates in β ladder)trans160.6-179.5-178.200000111.5I165 L293 N296G150-I165 PolarHBondContact N-O 3.5Å; G150-I165 PolarHBondContact O-N 3.25Å; G150-L293 VanDerWaalsContact C-CD2 3.45Å; G150-L293 VanDerWaalsContact O-CD2 3.29Å; G150-L293 WeakPolarHBondContact O-CD2 3.5Å; G150-N296 VanDerWaalsContact CA-O 3.32Å; G150-N296 WeakPolarHBondContact CA-O 3.28Å
151I98.8Very high97.1Very high0 Ų020.8 Ų20.80%013%0.134CC..EExtended strand (participates in β ladder)trans-117.7135171.4-174.9167.3000109.1P164 T278 S281 I282 N296 T297 V298I151-P164 HydrophobicContact CB-CB 4.49Å; I151-P164 HydrophobicContact CD1-CB 4.27Å; I151-P164 HydrophobicContact CG1-CB 4.29Å; I151-T278 HydrophobicContact CD1-CG2 4.01Å; I151-T278 HydrophobicContact CG2-CG2 4.28Å; I151-S281 WeakPolarHBondContact CD1-OG 3.32Å; I151-I282 HydrophobicContact CD1-CD1 4.43Å; I151-I282 HydrophobicContact CD1-CG1 3.7Å; I151-I282 HydrophobicContact CG2-CD1 4.04Å; I151-I282 HydrophobicContact CG2-CG1 4.22Å; I151-N296 PolarHBondContact N-O 3.41Å; I151-T297 HydrophobicContact CG2-CG2 4.09Å; I151-T297 WeakPolarHBondContact CG2-OG1 3.42Å; I151-T297 CarbonylContact O-C 3.49Å; I151-T297 WeakPolarHBondContact O-CA 3.38Å; I151-V298 PolarHBondContact O-N 3.18Å
152V98.8Very high97.1Very high0 Ų020.9 Ų20.90%013%0.134CC..EExtended strand (participates in β ladder)trans-104.7125175.81790000109A138 L142 D154 T162 V163 I165 V298A138-V152 HydrophobicContact CB-CB 4.01Å; A138-V152 HydrophobicContact CB-CG1 4.07Å; A138-V152 WeakPolarHBondContact O-CG2 3.38Å; L142-V152 HydrophobicContact CB-CG2 3.79Å; L142-V152 HydrophobicContact CD1-CG2 4.17Å; L142-V152 HydrophobicContact CG-CG2 4.5Å; V152-D154 HydrophobicContact CG1-CB 4.12Å; V152-T162 CarbonylContact O-C 3.26Å; V152-T162 VanDerWaalsContact O-CA 3.3Å; V152-T162 WeakPolarHBondContact O-CA 3.29Å; V152-V163 PolarHBondContact N-O 3.17Å; V152-V163 PolarHBondContact O-N 3.41Å; V152-I165 HydrophobicContact CG2-CD1 3.98Å; V152-V298 CarbonylContact C-O 3.54Å; V152-V298 WeakPolarHBondContact CA-O 3.26Å; V152-V298 HydrophobicContact CG2-CB 4.24Å
153M98.6Very high97.2Very high1 Ų120.8 Ų20.81%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-96.499.3162.4-169.8-81.9-87.300107.1T160 H161 T162 I274 V298 L299 S300 T304 I309 M313M153-T160 HydrophobicContact CG-CG2 4.49Å; M153-T160 HydrophobicContact SD-CG2 3.97Å; M153-H161 WeakPolarHBondContact CA-O 3.16Å; M153-T162 HydrophobicContact CB-CG2 4.45Å; M153-T162 HydrophobicContact CG-CG2 4.08Å; M153-I274 HydrophobicContact CE-CB 4.2Å; M153-I274 HydrophobicContact CE-CD1 3.49Å; M153-I274 VanDerWaalsContact CE-CD1 3.49Å; M153-I274 HydrophobicContact CE-CG1 4.32Å; M153-V298 PolarHBondContact N-O 2.82Å; M153-L299 HydrophobicContact CB-CD2 4.04Å; M153-L299 HydrophobicContact CE-CD2 3.98Å; M153-S300 PolarHBondContact O-N 2.99Å; M153-T304 HydrophobicContact CE-CG2 3.9Å; M153-T304 HydrophobicContact SD-CG2 3.95Å; M153-I309 HydrophobicContact CE-CD1 4.3Å; M153-M313 HydrophobicContact CE-CE 4.18Å; M153-M313 HydrophobicContact CE-SD 4.41Å
154D98.3Very high97.4Very high12 Ų1217.4 Ų17.46%0.06412%0.12CC..EExtended strand (participates in β ladder)trans-98122.7178.1-169.8-84.4000109.3V152 T160 H161 S300V152-D154 HydrophobicContact CG1-CB 4.12Å; D154-T160 CarbonylContact O-C 3.59Å; D154-T160 VanDerWaalsContact O-CA 3.27Å; D154-T160 WeakPolarHBondContact O-CA 3.48Å; D154-H161 PolarHBondContact N-O 2.9Å; D154-H161 PolarHBondContact O-N 2.92Å; D154-S300 WeakPolarHBondContact CA-O 3.3Å; D154-S300 WeakPolarHBondContact OD2-CB 3.12Å; D154-S300 PolarHBondContact OD2-OG 3.39Å
155S98.5Very high97.5Very high2 Ų216.1 Ų16.11%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-130.4104.9177.4-169.20000110.5T160 S300 G301 G302 T303S155-T160 WeakPolarHBondContact CB-OG1 3.24Å; S155-T160 PolarHBondContact OG-OG1 3.3Å; S155-S300 PolarHBondContact N-O 3.22Å; S155-G301 CarbonylContact O-C 3.52Å; S155-G301 WeakPolarHBondContact O-CA 3.42Å; S155-G302 PolarHBondContact O-N 2.82Å; S155-T303 WeakPolarHBondContact O-CB 3.5Å; S155-T303 PolarHBondContact O-N 3.02Å; S155-T303 VanDerWaalsContact OG-CB 3.29Å; S155-T303 WeakPolarHBondContact OG-CB 3.47Å; S155-T303 WeakPolarHBondContact OG-CG2 3.28Å
156G97.2Very high97.6Very high20 Ų2019 Ų1921%0.20612%0.118CC..  trans-90.1-153.9-179.900000113.1V159 A181 G182 T303G156-V159 PolarHBondContact N-O 3.16Å; G156-V159 VanDerWaalsContact N-O 3.09Å; G156-A181 WeakPolarHBondContact O-CB 3.41Å; G156-G182 PolarHBondContact O-N 3.12Å; G156-G182 VanDerWaalsContact O-N 3.17Å; G156-T303 WeakPolarHBondContact O-CB 3.29Å; G156-T303 PolarHBondContact O-OG1 2.79Å
157D96.5Very high97.6Very high35 Ų3521 Ų2119%0.18711%0.108CC..SBendtrans-79.3-36.8171.1-176.459.2000111.9G15 A181 G182 R183G15-D157 WeakPolarHBondContact CA-OD2 3.29Å; D157-A181 WeakPolarHBondContact O-CB 3.19Å; D157-G182 PolarHBondContact O-N 3.12Å; D157-G182 VanDerWaalsContact O-N 3.14Å; D157-R183 VanDerWaalsContact O-CB 3.27Å; D157-R183 WeakPolarHBondContact O-CB 3.35Å; D157-R183 PolarHBondContact O-N 3.33Å; D157-R183 PolarHBondContact OD1-N 3.14Å; D157-R183 IonicContact OD2-CZ 2.87Å; D157-R183 IonicContact OD2-NE 2.63Å; D157-R183 PolarHBondContact OD2-NE 3.15Å; D157-R183 IonicContact OD2-NH2 3.26Å; D157-R183 PolarHBondContact OD2-NH2 3.17Å
158G95.8Very high97.5Very high4 Ų418.7 Ų18.74%0.04110%0.104CC..SBendtrans-104.4-19.9-170.200000115.9H73 A181H73-G158 WeakPolarHBondContact CA-O 3.4Å; H73-G158 PolarHBondContact CD2-O 3.07Å; G158-A181 VanDerWaalsContact C-CB 3.48Å
159V97.1Very high97.4Very high7 Ų723 Ų234%0.04211%0.113CC..  trans-161.7153.9-173.959.90000111.1H73 G156 H161 R177H73-V159 HydrophobicContact CB-CB 4.25Å; G156-V159 PolarHBondContact N-O 3.16Å; G156-V159 VanDerWaalsContact N-O 3.09Å; V159-H161 WeakPolarHBondContact CG1-CE1 3.46Å; V159-H161 VanDerWaalsContact CG2-CE1 3.4Å; V159-H161 WeakPolarHBondContact CG2-CE1 3.27Å; V159-R177 HydrophobicContact CG2-CG 3.87Å
160T98.3Very high97.4Very high3 Ų322.7 Ų22.72%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-115.7137.4171-60.40000110.7M153 D154 S155 L178 L180 I274M153-T160 HydrophobicContact CG-CG2 4.49Å; M153-T160 HydrophobicContact SD-CG2 3.97Å; D154-T160 CarbonylContact O-C 3.59Å; D154-T160 VanDerWaalsContact O-CA 3.27Å; D154-T160 WeakPolarHBondContact O-CA 3.48Å; S155-T160 WeakPolarHBondContact CB-OG1 3.24Å; S155-T160 PolarHBondContact OG-OG1 3.3Å; T160-L178 PolarHBondContact N-O 2.93Å; T160-L178 PolarHBondContact O-N 3.23Å; T160-L180 WeakPolarHBondContact CB-O 3.47Å; T160-L180 PolarHBondContact OG1-O 3.12Å; T160-I274 HydrophobicContact CG2-CG2 3.99Å
161H97.8Very high97.3Very high3 Ų324.2 Ų24.21%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-131.4146.8176.9-59.4102.4000111.5P109 M153 D154 V159 V163 L176P109-H161 HydrophobicContact CG-CB 3.82Å; P109-H161 VanDerWaalsContact CG-CD2 3.49Å; P109-H161 WeakPolarHBondContact CG-CD2 3.18Å; P109-H161 VanDerWaalsContact CG-CG 3.48Å; M153-H161 WeakPolarHBondContact CA-O 3.16Å; D154-H161 PolarHBondContact N-O 2.9Å; D154-H161 PolarHBondContact O-N 2.92Å; V159-H161 WeakPolarHBondContact CG1-CE1 3.46Å; V159-H161 VanDerWaalsContact CG2-CE1 3.4Å; V159-H161 WeakPolarHBondContact CG2-CE1 3.27Å; H161-V163 HydrophobicContact CB-CG2 4.06Å; H161-L176 WeakPolarHBondContact CA-O 3.36Å
162T98.6Very high97.2Very high1 Ų128.3 Ų28.31%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-114.4116.8164.961.90000108.5V152 M153 I175 L176 T277 T278 S281V152-T162 CarbonylContact O-C 3.26Å; V152-T162 VanDerWaalsContact O-CA 3.3Å; V152-T162 WeakPolarHBondContact O-CA 3.29Å; M153-T162 HydrophobicContact CB-CG2 4.45Å; M153-T162 HydrophobicContact CG-CG2 4.08Å; T162-I175 WeakPolarHBondContact O-CA 3.06Å; T162-L176 PolarHBondContact N-O 3.41Å; T162-L176 PolarHBondContact O-N 2.98Å; T162-L176 VanDerWaalsContact O-N 3.11Å; T162-L176 WeakPolarHBondContact OG1-CB 3.44Å; T162-T277 HydrophobicContact CG2-CG2 3.9Å; T162-T278 WeakPolarHBondContact CG2-OG1 3.37Å; T162-S281 VanDerWaalsContact OG1-CB 3.29Å; T162-S281 WeakPolarHBondContact OG1-CB 3.39Å
163V98.6Very high97.1Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-122.8102.9-172.4-173.60000109P109 A138 V152 H161 I165 A170 I175P109-V163 HydrophobicContact CB-CG2 4.02Å; P109-V163 HydrophobicContact CG-CG2 3.76Å; A138-V163 HydrophobicContact CB-CB 3.52Å; A138-V163 HydrophobicContact CB-CG1 3.9Å; A138-V163 HydrophobicContact CB-CG2 3.5Å; A138-V163 VanDerWaalsContact CB-CG2 3.5Å; V152-V163 PolarHBondContact N-O 3.17Å; V152-V163 PolarHBondContact O-N 3.41Å; H161-V163 HydrophobicContact CB-CG2 4.06Å; V163-I165 HydrophobicContact CG1-CD1 4.35Å; V163-I165 HydrophobicContact CG1-CG1 4.02Å; V163-A170 HydrophobicContact CG1-CB 3.86Å; V163-I175 HydrophobicContact CG1-CD1 4.09Å; V163-I175 HydrophobicContact CG1-CG1 4.12Å; V163-I175 HydrophobicContact CG2-CG2 4.27Å
164P98.7Very high97.1Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-76.8134.4172.627.2-23.6000109.2I151 L171 A174 S281 C285 L293I151-P164 HydrophobicContact CB-CB 4.49Å; I151-P164 HydrophobicContact CD1-CB 4.27Å; I151-P164 HydrophobicContact CG1-CB 4.29Å; P164-L171 HydrophobicContact CB-CD1 4.28Å; P164-L171 HydrophobicContact CG-CB 4.21Å; P164-L171 PolarHBondContact O-N 2.96Å; P164-A174 HydrophobicContact CG-CB 3.51Å; P164-S281 WeakPolarHBondContact CD-OG 3.28Å; P164-S281 WeakPolarHBondContact CG-OG 3.42Å; P164-C285 VanDerWaalsContact CB-SG 3.59Å; P164-L293 HydrophobicContact CB-CD1 4.05Å; P164-L293 HydrophobicContact CB-CD2 4.28Å
165I98.5Very high97.1Very high0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-131.1132.6-173.8-60.1154.3000107.6V139 L142 T148 T149 G150 V152 V163 Y169 A170V139-I165 HydrophobicContact CB-CD1 4.44Å; V139-I165 HydrophobicContact CG2-CD1 4.01Å; V139-I165 HydrophobicContact CG2-CG1 4.14Å; L142-I165 HydrophobicContact CB-CD1 3.91Å; L142-I165 HydrophobicContact CD2-CB 3.67Å; L142-I165 HydrophobicContact CD2-CD1 3.74Å; L142-I165 HydrophobicContact CD2-CG1 4.33Å; L142-I165 HydrophobicContact CD2-CG2 3.67Å; L142-I165 HydrophobicContact CG-CD1 4.43Å; T148-I165 WeakPolarHBondContact O-CG2 3.39Å; T149-I165 WeakPolarHBondContact CA-O 3.49Å; G150-I165 PolarHBondContact N-O 3.5Å; G150-I165 PolarHBondContact O-N 3.25Å; V152-I165 HydrophobicContact CG2-CD1 3.98Å; V163-I165 HydrophobicContact CG1-CD1 4.35Å; V163-I165 HydrophobicContact CG1-CG1 4.02Å; I165-Y169 CarbonylContact C-O 3.55Å; I165-Y169 VanDerWaalsContact CA-O 3.29Å; I165-Y169 WeakPolarHBondContact CA-O 3.34Å; I165-A170 HydrophobicContact CG1-CB 4.37Å
166Y97.5Very high97.1Very high83 Ų8335.2 Ų35.233%0.32518%0.18SC..EExtended strand (participates in β ladder)trans-128.5123.2178-177.1-95.6000109.2T149 G168 Y169 I289T149-Y166 HydrophobicContact CG2-CD2 3.74Å; T149-Y166 HydrophobicContact CG2-CE2 4.31Å; Y166-G168 PolarHBondContact O-N 2.9Å; Y166-G168 VanDerWaalsContact O-N 3.12Å; Y166-Y169 PolarHBondContact N-O 3.47Å; Y166-Y169 PolarHBondContact O-N 2.73Å; Y166-I289 HydrophobicContact CD2-CB 4.04Å; Y166-I289 HydrophobicContact CD2-CD1 4.34Å; Y166-I289 HydrophobicContact CD2-CG2 3.56Å; Y166-I289 HydrophobicContact CE2-CB 4.29Å; Y166-I289 HydrophobicContact CE2-CG2 3.47Å; Y166-I289 VanDerWaalsContact CE2-CG2 3.47Å; Y166-I289 HydrophobicContact CG-CG2 4.37Å
167E95.1Very high97Very high114 Ų11439 Ų3953%0.53319%0.188SC..THydrogen-bonded Turntrans50.637.1-179.4-66.1-179.2-172.400113.8T148 T149 Y169T148-E167 PolarHBondContact O-N 3.19Å; T148-E167 VanDerWaalsContact O-N 3.16Å; T149-E167 PolarHBondContact OG1-N 3.06Å; E167-Y169 VanDerWaalsContact C-N 3.35Å; E167-Y169 WeakPolarHBondContact O-CD2 3.21Å
168G93.2Very high96.9Very high14 Ų1437.9 Ų37.914%0.14418%0.182CC..THydrogen-bonded Turntrans89-9.4-179.800000114.8T148 Y166T148-G168 PolarHBondContact O-N 3.06Å; Y166-G168 PolarHBondContact O-N 2.9Å; Y166-G168 VanDerWaalsContact O-N 3.12Å
169Y94.1Very high96.9Very high160 Ų16041 Ų4163%0.62720%0.198SC*.EExtended strand (participates in β ladder)trans-98.9123.5-179.5-60.9-85.4000111.4I165 Y166 E167I165-Y169 CarbonylContact C-O 3.55Å; I165-Y169 VanDerWaalsContact CA-O 3.29Å; I165-Y169 WeakPolarHBondContact CA-O 3.34Å; Y166-Y169 PolarHBondContact N-O 3.47Å; Y166-Y169 PolarHBondContact O-N 2.73Å; E167-Y169 VanDerWaalsContact C-N 3.35Å; E167-Y169 WeakPolarHBondContact O-CD2 3.21Å
170A96.8Very high96.9Very high17 Ų1740.7 Ų40.714%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-65.9140.6169.600000110.1I136 V139 V163 I165 P172 I175I136-A170 HydrophobicContact CD1-CB 4.17Å; V139-A170 HydrophobicContact CG2-CB 4.04Å; V163-A170 HydrophobicContact CG1-CB 3.86Å; I165-A170 HydrophobicContact CG1-CB 4.37Å; A170-P172 WeakPolarHBondContact O-CD 3.4Å; A170-I175 HydrophobicContact CB-CD1 4.48Å
171L97.3Very high96.9Very high32 Ų3240.5 Ų40.517%0.16820%0.195CC..  trans-96.496.1-179.5-56.7177.5000110.2P164 H173 A174 I175 I289P164-L171 HydrophobicContact CB-CD1 4.28Å; P164-L171 HydrophobicContact CG-CB 4.21Å; P164-L171 PolarHBondContact O-N 2.96Å; L171-H173 VanDerWaalsContact C-N 3.3Å; L171-H173 PolarHBondContact O-N 3.33Å; L171-H173 VanDerWaalsContact O-N 3.17Å; L171-A174 HydrophobicContact CB-CB 4.46Å; L171-A174 PolarHBondContact O-N 3.27Å; L171-I175 PolarHBondContact O-N 2.67Å; L171-I289 HydrophobicContact CD1-CD1 3.49Å; L171-I289 VanDerWaalsContact CD1-CD1 3.49Å
172P96.1Very high96.9Very high87 Ų8740.4 Ų40.457%0.56520%0.195SC*.G310 helixtrans-65-32.4-163.1-23.536.9000113.8A170 A174 I175A170-P172 WeakPolarHBondContact O-CD 3.4Å; P172-A174 PolarHBondContact O-N 2.65Å; P172-I175 PolarHBondContact O-N 3.02Å
173H96.6Very high96.8Very high114 Ų11442.6 Ų42.653%0.52820%0.203SC..G310 helixtrans-66.8-19.7179.365.3-86.5000113.5L171L171-H173 VanDerWaalsContact C-N 3.3Å; L171-H173 PolarHBondContact O-N 3.33Å; L171-H173 VanDerWaalsContact O-N 3.17Å
174A98.2Very high96.7Very high0 Ų044.6 Ų44.60%021%0.214CC..G310 helixtrans-110.52.1-177.300000113.1P164 L171 P172 L176 S281 K284 C285P164-A174 HydrophobicContact CG-CB 3.51Å; L171-A174 HydrophobicContact CB-CB 4.46Å; L171-A174 PolarHBondContact O-N 3.27Å; P172-A174 PolarHBondContact O-N 2.65Å; A174-L176 PolarHBondContact O-N 3.45Å; A174-S281 WeakPolarHBondContact O-CB 3.5Å; A174-S281 PolarHBondContact O-OG 2.69Å; A174-K284 HydrophobicContact CB-CB 3.72Å; A174-C285 VanDerWaalsContact CB-SG 3.55Å
175I98.4Very high96.7Very high15 Ų1544.6 Ų44.68%0.07721%0.214CC..  trans-69.7128.1171.5-61178.4000109P109 L110 T162 V163 A170 L171 P172P109-I175 HydrophobicContact CB-CD1 3.91Å; P109-I175 HydrophobicContact CB-CG2 4.02Å; P109-I175 HydrophobicContact CG-CG2 4.22Å; L110-I175 HydrophobicContact CD1-CB 4.41Å; L110-I175 HydrophobicContact CD1-CG2 4Å; L110-I175 HydrophobicContact CD2-CD1 4.3Å; L110-I175 HydrophobicContact CG-CG2 4.17Å; T162-I175 WeakPolarHBondContact O-CA 3.06Å; V163-I175 HydrophobicContact CG1-CD1 4.09Å; V163-I175 HydrophobicContact CG1-CG1 4.12Å; V163-I175 HydrophobicContact CG2-CG2 4.27Å; A170-I175 HydrophobicContact CB-CD1 4.48Å; L171-I175 PolarHBondContact O-N 2.67Å; P172-I175 PolarHBondContact O-N 3.02Å
176L98.1Very high96.7Very high30 Ų3044.6 Ų44.616%0.15721%0.214CC..EExtended strand (participates in β ladder)trans-117144.2171.1-53.5179.4000109.8H161 T162 A174 T277 N280 K284H161-L176 WeakPolarHBondContact CA-O 3.36Å; T162-L176 PolarHBondContact N-O 3.41Å; T162-L176 PolarHBondContact O-N 2.98Å; T162-L176 VanDerWaalsContact O-N 3.11Å; T162-L176 WeakPolarHBondContact OG1-CB 3.44Å; A174-L176 PolarHBondContact O-N 3.45Å; L176-T277 HydrophobicContact CB-CG2 3.73Å; L176-T277 HydrophobicContact CD1-CG2 3.99Å; L176-T277 WeakPolarHBondContact CD1-O 3.32Å; L176-N280 HydrophobicContact CD1-CB 3.78Å; L176-K284 HydrophobicContact CD2-CD 4.05Å; L176-K284 VanDerWaalsContact CD2-NZ 3.32Å
177R95.6Very high96.7Very high101 Ų10144 Ų4438%0.38122%0.216SC..EExtended strand (participates in β ladder)trans-120.5138.6-179.7174.2173.6162.4161.5-5.6109V159 D179V159-R177 HydrophobicContact CG2-CG 3.87Å; R177-D179 IonicContact CZ-OD1 2.87Å; R177-D179 IonicContact NE-OD1 3.37Å; R177-D179 PolarHBondContact NE-OD1 3.47Å; R177-D179 IonicContact NE-OD2 3.25Å; R177-D179 IonicContact NH2-OD1 2.82Å; R177-D179 PolarHBondContact NH2-OD1 3.31Å; R177-D179 IonicContact NH2-OD2 3.23Å; R177-D179 PolarHBondContact NH2-OD2 2.77Å
178L95.6Very high96.9Very high10 Ų1039.1 Ų39.15%0.05219%0.193CC..EExtended strand (participates in β ladder)trans-129.1116.3173.8-179.270.2000107.9T160 L180 M269 S271 I274T160-L178 PolarHBondContact N-O 2.93Å; T160-L178 PolarHBondContact O-N 3.23Å; L178-L180 HydrophobicContact CD1-CB 4.4Å; L178-L180 HydrophobicContact CD2-CB 3.89Å; L178-L180 HydrophobicContact CD2-CD2 4.19Å; L178-L180 HydrophobicContact CD2-CG 4.45Å; L178-L180 HydrophobicContact CG-CB 3.75Å; L178-L180 PolarHBondContact O-N 2.94Å; L178-M269 HydrophobicContact CD1-CE 4.33Å; L178-S271 WeakPolarHBondContact CD1-OG 3.38Å; L178-I274 HydrophobicContact CD2-CG2 4.13Å
179D94.3Very high97.1Very high70 Ų7038.5 Ų38.537%0.37419%0.186SC..SBendtrans-77.655.7175.2-70.5-19.7000110.4R177 M269R177-D179 IonicContact CZ-OD1 2.87Å; R177-D179 IonicContact NE-OD1 3.37Å; R177-D179 PolarHBondContact NE-OD1 3.47Å; R177-D179 IonicContact NE-OD2 3.25Å; R177-D179 IonicContact NH2-OD1 2.82Å; R177-D179 PolarHBondContact NH2-OD1 3.31Å; R177-D179 IonicContact NH2-OD2 3.23Å; R177-D179 PolarHBondContact NH2-OD2 2.77Å; D179-M269 WeakPolarHBondContact O-CE 3.34Å
180L97.2Very high97.3Very high0 Ų032.2 Ų32.20%016%0.163CC..  trans-141120.2175.6171.655.1000108.3T160 L178 D184 L185 A260 L261 P264 L267 M269T160-L180 WeakPolarHBondContact CB-O 3.47Å; T160-L180 PolarHBondContact OG1-O 3.12Å; L178-L180 HydrophobicContact CD1-CB 4.4Å; L178-L180 HydrophobicContact CD2-CB 3.89Å; L178-L180 HydrophobicContact CD2-CD2 4.19Å; L178-L180 HydrophobicContact CD2-CG 4.45Å; L178-L180 HydrophobicContact CG-CB 3.75Å; L178-L180 PolarHBondContact O-N 2.94Å; L180-D184 HydrophobicContact CD1-CB 3.72Å; L180-L185 HydrophobicContact CD1-CD2 4.26Å; L180-A260 VanDerWaalsContact CD2-O 3.24Å; L180-A260 WeakPolarHBondContact CD2-O 3.44Å; L180-L261 HydrophobicContact CD2-CD2 4.44Å; L180-L261 HydrophobicContact CG-CD2 4.22Å; L180-P264 HydrophobicContact CD2-CB 4.07Å; L180-P264 HydrophobicContact CD2-CG 3.99Å; L180-L267 HydrophobicContact CD1-CD1 3.24Å; L180-L267 HydrophobicContact CD2-CD1 4.29Å; L180-L267 HydrophobicContact CG-CD1 4.39Å; L180-M269 HydrophobicContact CB-CE 4.01Å; L180-M269 HydrophobicContact CB-SD 4.06Å; L180-M269 HydrophobicContact CD1-SD 4.36Å; L180-M269 HydrophobicContact CD2-SD 4.34Å; L180-M269 HydrophobicContact CG-SD 4.48Å
181A97.9Very high97.4Very high0 Ų037.2 Ų37.20%018%0.181CC..SBendtrans-157.8-161.8-177.600000112.6G156 D157 G158 R183 D184 L185G156-A181 WeakPolarHBondContact O-CB 3.41Å; D157-A181 WeakPolarHBondContact O-CB 3.19Å; G158-A181 VanDerWaalsContact C-CB 3.48Å; A181-R183 PolarHBondContact O-N 3.13Å; A181-R183 VanDerWaalsContact O-N 3.16Å; A181-D184 PolarHBondContact N-OD2 3.34Å; A181-D184 PolarHBondContact O-N 2.82Å; A181-L185 WeakPolarHBondContact O-CG 3.32Å; A181-L185 PolarHBondContact O-N 3.23Å
182G98Very high97.4Very high1 Ų135.7 Ų35.71%0.0117%0.173CC..Hα-helixtrans-55.4-34.8-17300000114.6G156 D157 T186 K213 T303G156-G182 PolarHBondContact O-N 3.12Å; G156-G182 VanDerWaalsContact O-N 3.17Å; D157-G182 PolarHBondContact O-N 3.12Å; D157-G182 VanDerWaalsContact O-N 3.14Å; G182-T186 PolarHBondContact O-N 2.85Å; G182-T186 VanDerWaalsContact O-N 3.09Å; G182-T186 PolarHBondContact O-OG1 2.78Å; G182-K213 PolarHBondContact O-NZ 2.65Å; G182-T303 VanDerWaalsContact CA-OG1 3.27Å; G182-T303 WeakPolarHBondContact CA-OG1 3.39Å; G182-T303 PolarHBondContact N-OG1 2.75Å; G182-T303 VanDerWaalsContact N-OG1 3.15Å
183R96.9Very high97.5Very high47 Ų4731.5 Ų31.518%0.17715%0.146CC..Hα-helixtrans-67.2-50.5-179.9-167.8171.3-64.6178.84.1111S14 D157 A181 L185 T186 D187 R206S14-R183 PolarHBondContact O-NH2 2.97Å; S14-R183 VanDerWaalsContact O-NH2 3.12Å; D157-R183 VanDerWaalsContact O-CB 3.27Å; D157-R183 WeakPolarHBondContact O-CB 3.35Å; D157-R183 PolarHBondContact O-N 3.33Å; D157-R183 PolarHBondContact OD1-N 3.14Å; D157-R183 IonicContact OD2-CZ 2.87Å; D157-R183 IonicContact OD2-NE 2.63Å; D157-R183 PolarHBondContact OD2-NE 3.15Å; D157-R183 IonicContact OD2-NH2 3.26Å; D157-R183 PolarHBondContact OD2-NH2 3.17Å; A181-R183 PolarHBondContact O-N 3.13Å; A181-R183 VanDerWaalsContact O-N 3.16Å; R183-L185 VanDerWaalsContact C-N 3.31Å; R183-L185 PolarHBondContact O-N 2.92Å; R183-T186 VanDerWaalsContact O-CB 3.29Å; R183-T186 WeakPolarHBondContact O-CB 3.46Å; R183-T186 PolarHBondContact O-N 3.07Å; R183-D187 PolarHBondContact O-N 2.96Å; R183-D187 VanDerWaalsContact O-N 3.11Å; R183-R206 PolarHBondContact O-NH2 2.78Å
184D97.8Very high97.5Very high42 Ų4229.2 Ų29.223%0.22514%0.14CC..Hα-helixtrans-63.4-39.2179.6-44.4-72.5000111.3L180 A181 T186 D187 Y188 L267L180-D184 HydrophobicContact CD1-CB 3.72Å; A181-D184 PolarHBondContact N-OD2 3.34Å; A181-D184 PolarHBondContact O-N 2.82Å; D184-T186 VanDerWaalsContact C-N 3.27Å; D184-T186 PolarHBondContact O-N 2.72Å; D184-D187 PolarHBondContact O-N 3.12Å; D184-Y188 WeakPolarHBondContact O-CB 3.3Å; D184-Y188 PolarHBondContact O-N 3.39Å; D184-L267 HydrophobicContact CB-CD1 4.48Å
185L98.6Very high97.4Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-64.5-32.6175-65.5-178.2000112.5L180 A181 R183 L189 K213 C257 A260 L261 T303 Y306L180-L185 HydrophobicContact CD1-CD2 4.26Å; A181-L185 WeakPolarHBondContact O-CG 3.32Å; A181-L185 PolarHBondContact O-N 3.23Å; R183-L185 VanDerWaalsContact C-N 3.31Å; R183-L185 PolarHBondContact O-N 2.92Å; L185-L189 WeakPolarHBondContact O-CB 3.41Å; L185-L189 PolarHBondContact O-N 3.44Å; L185-K213 HydrophobicContact CB-CD 3.96Å; L185-C257 WeakPolarHBondContact CD2-O 3.4Å; L185-C257 PolarHBondContact O-SG 2.88Å; L185-A260 HydrophobicContact CD2-CB 3.85Å; L185-L261 HydrophobicContact CD1-CD1 3.96Å; L185-L261 HydrophobicContact CD1-CD2 4.02Å; L185-L261 HydrophobicContact CD1-CG 3.87Å; L185-L261 HydrophobicContact CD2-CG 4.36Å; L185-T303 HydrophobicContact CD1-CG2 3.79Å; L185-Y306 HydrophobicContact CD1-CE2 3.81Å
186T98.3Very high97.1Very high0 Ų037.7 Ų37.70%018%0.176CC..Hα-helixtrans-67.1-45174.6-53.20000110.3G182 R183 D184 Y188 L189 M190 R206 V209 R210 K213G182-T186 PolarHBondContact O-N 2.85Å; G182-T186 VanDerWaalsContact O-N 3.09Å; G182-T186 PolarHBondContact O-OG1 2.78Å; R183-T186 VanDerWaalsContact O-CB 3.29Å; R183-T186 WeakPolarHBondContact O-CB 3.46Å; R183-T186 PolarHBondContact O-N 3.07Å; D184-T186 VanDerWaalsContact C-N 3.27Å; D184-T186 PolarHBondContact O-N 2.72Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 2.96Å; T186-L189 PolarHBondContact O-N 3.45Å; T186-M190 WeakPolarHBondContact O-CG 3.36Å; T186-M190 PolarHBondContact O-N 3.42Å; T186-R206 HydrophobicContact CG2-CG 4.11Å; T186-V209 HydrophobicContact CG2-CB 4.4Å; T186-V209 HydrophobicContact CG2-CG1 4.28Å; T186-R210 HydrophobicContact CG2-CB 3.91Å; T186-K213 WeakPolarHBondContact OG1-CE 3.32Å; T186-K213 PolarHBondContact OG1-NZ 3.18Å
187D97.5Very high97Very high69 Ų6939.1 Ų39.137%0.36920%0.198SC..Hα-helixtrans-67.5-36.4178.7-61.7-33.5000111.4R183 D184 M190 K191 R206R183-D187 PolarHBondContact O-N 2.96Å; R183-D187 VanDerWaalsContact O-N 3.11Å; D184-D187 PolarHBondContact O-N 3.12Å; D187-M190 WeakPolarHBondContact O-CB 3.42Å; D187-M190 PolarHBondContact O-N 3.43Å; D187-K191 PolarHBondContact O-N 3.31Å; D187-K191 VanDerWaalsContact O-N 3.14Å; D187-R206 VanDerWaalsContact CG-NH2 3.27Å; D187-R206 IonicContact OD1-CZ 2.79Å; D187-R206 VanDerWaalsContact OD1-CZ 3.24Å; D187-R206 IonicContact OD1-NE 3.21Å; D187-R206 PolarHBondContact OD1-NE 3.16Å; D187-R206 IonicContact OD1-NH2 3.72Å; D187-R206 PolarHBondContact OD1-NH2 3.2Å; D187-R206 IonicContact OD2-CZ 3.24Å; D187-R206 IonicContact OD2-NH2 3.83Å; D187-R206 PolarHBondContact OD2-NH2 3.09Å
188Y98.3Very high97.1Very high13 Ų1337.2 Ų37.25%0.05119%0.192CC..Hα-helixtrans-62.9-44.1171.6-174.6-137.5000112.1D184 T186 M190 K191 I192 R256 C257 A260 F266 L267D184-Y188 WeakPolarHBondContact O-CB 3.3Å; D184-Y188 PolarHBondContact O-N 3.39Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 2.96Å; Y188-M190 VanDerWaalsContact C-N 3.3Å; Y188-M190 PolarHBondContact O-N 3.42Å; Y188-K191 WeakPolarHBondContact O-CB 3.37Å; Y188-K191 PolarHBondContact O-N 2.96Å; Y188-K191 VanDerWaalsContact O-N 3.12Å; Y188-I192 HydrophobicContact CD2-CG2 4.06Å; Y188-I192 HydrophobicContact CE1-CD1 4.27Å; Y188-I192 HydrophobicContact CE1-CG2 4.45Å; Y188-I192 HydrophobicContact CE2-CG2 3.48Å; Y188-I192 VanDerWaalsContact CE2-CG2 3.48Å; Y188-I192 PolarHBondContact O-N 2.8Å; Y188-R256 WeakPolarHBondContact CE1-O 3.38Å; Y188-C257 HydrophobicContact CD1-CB 4.46Å; Y188-A260 HydrophobicContact CD1-CB 4.01Å; Y188-A260 HydrophobicContact CE1-CB 4.08Å; Y188-F266 HydrophobicContact CE1-CB 4.46Å; Y188-L267 HydrophobicContact CD1-CD2 4.48Å; Y188-L267 HydrophobicContact CD2-CD2 3.76Å; Y188-L267 HydrophobicContact CG-CD2 3.68Å; Y188-L267 HydrophobicContact CG-CG 4.34Å
189L98.6Very high97Very high0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-61.9-40.5177.4-174.759.6000111L185 T186 K191 I192 L193 V209 I212 K213 E253 C257L185-L189 WeakPolarHBondContact O-CB 3.41Å; L185-L189 PolarHBondContact O-N 3.44Å; T186-L189 PolarHBondContact O-N 3.45Å; L189-K191 VanDerWaalsContact C-N 3.27Å; L189-K191 PolarHBondContact O-N 2.87Å; L189-I192 HydrophobicContact CD1-CD1 3.97Å; L189-I192 HydrophobicContact CD1-CG1 3.99Å; L189-I192 WeakPolarHBondContact O-CG1 3.38Å; L189-I192 PolarHBondContact O-N 2.98Å; L189-L193 HydrophobicContact CD1-CD1 4.17Å; L189-L193 HydrophobicContact CD1-CD2 4.43Å; L189-L193 HydrophobicContact CD1-CG 3.96Å; L189-L193 HydrophobicContact CD2-CD1 4.42Å; L189-L193 HydrophobicContact CG-CD1 3.81Å; L189-L193 HydrophobicContact CG-CG 4.1Å; L189-L193 VanDerWaalsContact O-CB 3.29Å; L189-L193 WeakPolarHBondContact O-CB 3.39Å; L189-L193 WeakPolarHBondContact O-CG 3.31Å; L189-L193 PolarHBondContact O-N 3Å; L189-V209 HydrophobicContact CB-CG1 3.74Å; L189-V209 HydrophobicContact CD2-CG1 3.71Å; L189-V209 HydrophobicContact CG-CG1 3.64Å; L189-I212 HydrophobicContact CD2-CB 4.45Å; L189-I212 HydrophobicContact CD2-CG2 4.06Å; L189-K213 HydrophobicContact CD2-CB 3.6Å; L189-K213 HydrophobicContact CD2-CG 4.28Å; L189-E253 HydrophobicContact CD1-CB 3.92Å; L189-C257 HydrophobicContact CB-CB 4.32Å; L189-C257 HydrophobicContact CD1-CB 3.99Å
190M98.1Very high97.1Very high28 Ų2837.6 Ų37.614%0.13820%0.198CC..Hα-helixtrans-56.5-43.4173.7-69.3175.968.200111.6T186 D187 Y188 T194 F200 R206 V209T186-M190 WeakPolarHBondContact O-CG 3.36Å; T186-M190 PolarHBondContact O-N 3.42Å; D187-M190 WeakPolarHBondContact O-CB 3.42Å; D187-M190 PolarHBondContact O-N 3.43Å; Y188-M190 VanDerWaalsContact C-N 3.3Å; Y188-M190 PolarHBondContact O-N 3.42Å; M190-T194 PolarHBondContact O-N 3.43Å; M190-T194 PolarHBondContact O-OG1 2.83Å; M190-F200 HydrophobicContact CE-CB 4.13Å; M190-F200 WeakPolarHBondContact CE-O 3.44Å; M190-R206 HydrophobicContact CE-CB 4.28Å; M190-R206 HydrophobicContact SD-CB 3.86Å; M190-R206 HydrophobicContact SD-CG 3.65Å; M190-V209 HydrophobicContact CB-CG1 4.49Å; M190-V209 HydrophobicContact CG-CB 3.78Å; M190-V209 HydrophobicContact CG-CG1 3.65Å; M190-V209 HydrophobicContact CG-CG2 3.75Å
191K97.5Very high96.9Very high122 Ų12242.8 Ų42.853%0.5323%0.231SC..Hα-helixtrans-62.5-52.3178-178.5-175.2173.2-174.40111.8D187 Y188 L189 L193 T194 E195D187-K191 PolarHBondContact O-N 3.31Å; D187-K191 VanDerWaalsContact O-N 3.14Å; Y188-K191 WeakPolarHBondContact O-CB 3.37Å; Y188-K191 PolarHBondContact O-N 2.96Å; Y188-K191 VanDerWaalsContact O-N 3.12Å; L189-K191 VanDerWaalsContact C-N 3.27Å; L189-K191 PolarHBondContact O-N 2.87Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 2.78Å; K191-T194 WeakPolarHBondContact O-CA 3.27Å; K191-T194 VanDerWaalsContact O-CB 3.31Å; K191-T194 WeakPolarHBondContact O-CB 3.24Å; K191-T194 PolarHBondContact O-N 3.38Å; K191-T194 VanDerWaalsContact O-N 3.09Å; K191-E195 PolarHBondContact O-N 3.28Å
192I97.7Very high96.6Very high0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-73.8-24.2-176.766.2-177.8000112.9Y188 L189 T194 E195 R196 E253 R256 C257Y188-I192 HydrophobicContact CD2-CG2 4.06Å; Y188-I192 HydrophobicContact CE1-CD1 4.27Å; Y188-I192 HydrophobicContact CE1-CG2 4.45Å; Y188-I192 HydrophobicContact CE2-CG2 3.48Å; Y188-I192 VanDerWaalsContact CE2-CG2 3.48Å; Y188-I192 PolarHBondContact O-N 2.8Å; L189-I192 HydrophobicContact CD1-CD1 3.97Å; L189-I192 HydrophobicContact CD1-CG1 3.99Å; L189-I192 WeakPolarHBondContact O-CG1 3.38Å; L189-I192 PolarHBondContact O-N 2.98Å; I192-T194 VanDerWaalsContact C-N 3.33Å; I192-E195 WeakPolarHBondContact O-CB 3.36Å; I192-E195 PolarHBondContact O-N 3.13Å; I192-R196 PolarHBondContact O-N 2.83Å; I192-E253 HydrophobicContact CB-CG 4.24Å; I192-E253 HydrophobicContact CD1-CB 3.72Å; I192-E253 HydrophobicContact CD1-CG 4.06Å; I192-E253 HydrophobicContact CG1-CB 3.92Å; I192-E253 HydrophobicContact CG1-CG 3.84Å; I192-R256 HydrophobicContact CD1-CB 4.2Å; I192-C257 HydrophobicContact CD1-CB 4.04Å
193L98.2Very high96.2Very high0 Ų049.5 Ų49.50%027%0.271CS..Hα-helixtrans-67.6-36.3167.3-72.5175000111.5L189 K191 E195 R196 G197 Y198 F200 V209 I212 I250 E253L189-L193 HydrophobicContact CD1-CD1 4.17Å; L189-L193 HydrophobicContact CD1-CD2 4.43Å; L189-L193 HydrophobicContact CD1-CG 3.96Å; L189-L193 HydrophobicContact CD2-CD1 4.42Å; L189-L193 HydrophobicContact CG-CD1 3.81Å; L189-L193 HydrophobicContact CG-CG 4.1Å; L189-L193 VanDerWaalsContact O-CB 3.29Å; L189-L193 WeakPolarHBondContact O-CB 3.39Å; L189-L193 WeakPolarHBondContact O-CG 3.31Å; L189-L193 PolarHBondContact O-N 3Å; K191-L193 VanDerWaalsContact C-N 3.33Å; K191-L193 PolarHBondContact O-N 2.78Å; L193-E195 VanDerWaalsContact C-N 3.34Å; L193-R196 WeakPolarHBondContact O-CB 3.48Å; L193-R196 PolarHBondContact O-N 2.83Å; L193-R196 VanDerWaalsContact O-N 3.15Å; L193-G197 PolarHBondContact O-N 3.44Å; L193-Y198 CarbonylContact C-O 3.14Å; L193-Y198 PolarHBondContact O-N 3Å; L193-F200 HydrophobicContact CB-CD2 4.34Å; L193-F200 HydrophobicContact CB-CE2 4.25Å; L193-F200 HydrophobicContact CD1-CD2 4.15Å; L193-F200 HydrophobicContact CD1-CE2 3.81Å; L193-V209 HydrophobicContact CD1-CG1 3.97Å; L193-V209 HydrophobicContact CD1-CG2 4.09Å; L193-I212 HydrophobicContact CD1-CD1 4.36Å; L193-I250 HydrophobicContact CD2-CD1 3.73Å; L193-I250 HydrophobicContact CD2-CG2 4.22Å; L193-E253 HydrophobicContact CD2-CB 4.41Å; L193-E253 HydrophobicContact CD2-CG 4.35Å
194T97.6Very high95.8Very high65 Ų6550 Ų5040%0.39929%0.285SS..Hα-helixtrans-65.8-38.1174.3-57.10000111.2M190 K191 I192 R196 G197 Y198M190-T194 PolarHBondContact O-N 3.43Å; M190-T194 PolarHBondContact O-OG1 2.83Å; K191-T194 WeakPolarHBondContact O-CA 3.27Å; K191-T194 VanDerWaalsContact O-CB 3.31Å; K191-T194 WeakPolarHBondContact O-CB 3.24Å; K191-T194 PolarHBondContact O-N 3.38Å; K191-T194 VanDerWaalsContact O-N 3.09Å; I192-T194 VanDerWaalsContact C-N 3.33Å; T194-R196 PolarHBondContact O-N 2.96Å; T194-G197 WeakPolarHBondContact O-CA 3.19Å; T194-G197 PolarHBondContact O-N 2.67Å; T194-Y198 VanDerWaalsContact CA-O 3.32Å; T194-Y198 WeakPolarHBondContact CA-O 3.33Å; T194-Y198 PolarHBondContact N-O 3.12Å
195E95.2Very high95.7Very high112 Ų11250.8 Ų50.852%0.52329%0.288SS..Hα-helixtrans-57.8-34.5172.2-65.9168.5-170.800112.1K191 I192 L193 G197 R256K191-E195 PolarHBondContact O-N 3.28Å; I192-E195 WeakPolarHBondContact O-CB 3.36Å; I192-E195 PolarHBondContact O-N 3.13Å; L193-E195 VanDerWaalsContact C-N 3.34Å; E195-G197 VanDerWaalsContact C-N 3.29Å; E195-R256 IonicContact OE2-CZ 4Å; E195-R256 IonicContact OE2-NH1 2.73Å; E195-R256 IonicContact OE2-NH2 3.24Å; E195-R256 PolarHBondContact OE2-NH2 2.94Å; E195-R256 VanDerWaalsContact OE2-NH2 3.1Å
196R93.1Very high95.5Very high81 Ų8152.5 Ų52.531%0.30629%0.294SS..THydrogen-bonded Turntrans-76.8-13.2174.8-162.4-178.4-17686.84.8113.5I192 L193 T194 Y198 E237 T249 E253I192-R196 PolarHBondContact O-N 2.83Å; L193-R196 WeakPolarHBondContact O-CB 3.48Å; L193-R196 PolarHBondContact O-N 2.83Å; L193-R196 VanDerWaalsContact O-N 3.15Å; T194-R196 PolarHBondContact O-N 2.96Å; R196-Y198 HydrophobicContact CB-CD2 4.48Å; R196-Y198 HydrophobicContact CG-CD2 4.44Å; R196-Y198 HydrophobicContact CG-CE2 4.31Å; R196-E237 IonicContact CZ-OE1 3.96Å; R196-E237 IonicContact NH2-OE1 2.8Å; R196-E237 PolarHBondContact NH2-OE1 3.06Å; R196-T249 PolarHBondContact NE-O 2.96Å; R196-E253 WeakPolarHBondContact CD-OE1 3.42Å; R196-E253 IonicContact CZ-OE2 3.92Å; R196-E253 IonicContact NH1-OE1 3.11Å; R196-E253 PolarHBondContact NH1-OE1 2.84Å; R196-E253 VanDerWaalsContact NH1-OE1 3.11Å; R196-E253 IonicContact NH1-OE2 3.29Å; R196-E253 PolarHBondContact NH1-OE2 2.92Å
197G96.1Very high95.3Very high61 Ų6154 Ų5463%0.62930%0.301SS*.THydrogen-bonded Turntrans103.45.1-178.600000115.2L193 T194 E195L193-G197 PolarHBondContact O-N 3.44Å; T194-G197 WeakPolarHBondContact O-CA 3.19Å; T194-G197 PolarHBondContact O-N 2.67Å; E195-G197 VanDerWaalsContact C-N 3.29Å
198Y96Very high95.3Very high61 Ų6152.2 Ų52.224%0.23929%0.291CS..  trans-101102.6173.6-56.3-55.1000110.3L193 T194 R196 I248 T249L193-Y198 CarbonylContact C-O 3.14Å; L193-Y198 PolarHBondContact O-N 3Å; T194-Y198 VanDerWaalsContact CA-O 3.32Å; T194-Y198 WeakPolarHBondContact CA-O 3.33Å; T194-Y198 PolarHBondContact N-O 3.12Å; R196-Y198 HydrophobicContact CB-CD2 4.48Å; R196-Y198 HydrophobicContact CG-CD2 4.44Å; R196-Y198 HydrophobicContact CG-CE2 4.31Å; Y198-I248 HydrophobicContact CD1-CB 4.29Å; Y198-I248 HydrophobicContact CD1-CG2 3.81Å; Y198-I248 HydrophobicContact CD2-CB 4.38Å; Y198-I248 HydrophobicContact CE1-CB 3.87Å; Y198-I248 HydrophobicContact CE1-CG2 3.55Å; Y198-I248 HydrophobicContact CE2-CB 3.96Å; Y198-I248 HydrophobicContact CG-CG2 4.4Å; Y198-T249 WeakPolarHBondContact CE2-O 3.46Å; Y198-T249 PolarHBondContact OH-N 3.32Å
199S95.3Very high95.3Very high72 Ų7251.6 Ų51.650%0.50329%0.289SS..  trans-92.6124.7-178.9-164.90000111.5
200F95.6Very high95.3Very high15 Ų1554.9 Ų54.97%0.06630%0.301CS..  trans-119117.1172.9-62.8-80.8000106.9M190 L193 E205 I208 V209 I212 L242 I248M190-F200 HydrophobicContact CE-CB 4.13Å; M190-F200 WeakPolarHBondContact CE-O 3.44Å; L193-F200 HydrophobicContact CB-CD2 4.34Å; L193-F200 HydrophobicContact CB-CE2 4.25Å; L193-F200 HydrophobicContact CD1-CD2 4.15Å; L193-F200 HydrophobicContact CD1-CE2 3.81Å; F200-E205 HydrophobicContact CB-CB 3.93Å; F200-E205 HydrophobicContact CD1-CB 3.86Å; F200-E205 HydrophobicContact CD1-CG 4.14Å; F200-E205 HydrophobicContact CG-CB 4.38Å; F200-I208 HydrophobicContact CE1-CG2 4.34Å; F200-V209 HydrophobicContact CB-CG2 3.81Å; F200-V209 HydrophobicContact CD1-CG2 4.01Å; F200-V209 HydrophobicContact CD2-CG2 3.51Å; F200-V209 HydrophobicContact CE1-CG2 4.46Å; F200-V209 HydrophobicContact CE2-CG2 4.03Å; F200-V209 HydrophobicContact CG-CG2 3.48Å; F200-V209 VanDerWaalsContact CG-CG2 3.48Å; F200-V209 HydrophobicContact CZ-CG2 4.47Å; F200-I212 HydrophobicContact CZ-CD1 4.42Å; F200-L242 HydrophobicContact CE1-CD2 3.98Å; F200-L242 HydrophobicContact CZ-CD2 4.09Å; F200-I248 HydrophobicContact CZ-CD1 3.94Å
201T93.3Very high95.3Very high110 Ų11055.3 Ų55.368%0.67530%0.304SS*.  trans-121.9-24.7-169.8620000113.2E205T201-E205 PolarHBondContact N-OE2 3.45Å
202T92Very high95.3Very high64 Ų6449.5 Ų49.539%0.39328%0.279SS..SBendtrans-90.7159.1-177.470.60000112.1A204 E205 R206T202-A204 PolarHBondContact O-N 3.07Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.43Å; T202-E205 PolarHBondContact N-OE2 3.04Å; T202-E205 PolarHBondContact O-N 3.05Å; T202-E205 WeakPolarHBondContact OG1-CB 3.46Å; T202-E205 VanDerWaalsContact OG1-CD 3.29Å; T202-E205 WeakPolarHBondContact OG1-CG 3.41Å; T202-E205 PolarHBondContact OG1-N 2.83Å; T202-E205 VanDerWaalsContact OG1-N 3.13Å; T202-E205 PolarHBondContact OG1-OE2 2.87Å; T202-E205 VanDerWaalsContact OG1-OE2 3.05Å; T202-R206 PolarHBondContact O-N 2.85Å
203T87.9Confident95.3Very high77 Ų7749.8 Ų49.847%0.47228%0.28SS..THydrogen-bonded Turntrans-66-20174.655.90000113.5R62R62-T203 PolarHBondContact NH1-O 2.78Å
204A89.7Confident95.3Very high57 Ų5755.3 Ų55.347%0.47131%0.306SS..THydrogen-bonded Turntrans-79.4-44.7173.600000110.6T202 R206 E207T202-A204 PolarHBondContact O-N 3.07Å; A204-R206 PolarHBondContact O-N 3.2Å; A204-E207 WeakPolarHBondContact O-CB 3.46Å; A204-E207 PolarHBondContact O-N 3.25Å
205E94.5Very high95.4Very high60 Ų6058.7 Ų58.728%0.2832%0.315SS..Hα-helixtrans-60.6-33.7174-77.1167.1164.400112.6F200 T201 T202 E207 I208 V209F200-E205 HydrophobicContact CB-CB 3.93Å; F200-E205 HydrophobicContact CD1-CB 3.86Å; F200-E205 HydrophobicContact CD1-CG 4.14Å; F200-E205 HydrophobicContact CG-CB 4.38Å; T201-E205 PolarHBondContact N-OE2 3.45Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.43Å; T202-E205 PolarHBondContact N-OE2 3.04Å; T202-E205 PolarHBondContact O-N 3.05Å; T202-E205 WeakPolarHBondContact OG1-CB 3.46Å; T202-E205 VanDerWaalsContact OG1-CD 3.29Å; T202-E205 WeakPolarHBondContact OG1-CG 3.41Å; T202-E205 PolarHBondContact OG1-N 2.83Å; T202-E205 VanDerWaalsContact OG1-N 3.13Å; T202-E205 PolarHBondContact OG1-OE2 2.87Å; T202-E205 VanDerWaalsContact OG1-OE2 3.05Å; E205-E207 PolarHBondContact O-N 2.86Å; E205-I208 HydrophobicContact CG-CD1 4.46Å; E205-I208 WeakPolarHBondContact O-CA 3.27Å; E205-I208 VanDerWaalsContact O-CB 3.27Å; E205-I208 WeakPolarHBondContact O-CB 3.36Å; E205-I208 PolarHBondContact O-N 3.21Å; E205-V209 PolarHBondContact O-N 2.87Å
206R95.1Very high95.5Very high36 Ų3654.5 Ų54.514%0.13630%0.296CS..Hα-helixtrans-55.1-34.1171.4-177.1176-169.1-69.8-8.4113.2R183 T186 D187 M190 T202 A204 V209 R210R183-R206 PolarHBondContact O-NH2 2.78Å; T186-R206 HydrophobicContact CG2-CG 4.11Å; D187-R206 VanDerWaalsContact CG-NH2 3.27Å; D187-R206 IonicContact OD1-CZ 2.79Å; D187-R206 VanDerWaalsContact OD1-CZ 3.24Å; D187-R206 IonicContact OD1-NE 3.21Å; D187-R206 PolarHBondContact OD1-NE 3.16Å; D187-R206 IonicContact OD1-NH2 3.72Å; D187-R206 PolarHBondContact OD1-NH2 3.2Å; D187-R206 IonicContact OD2-CZ 3.24Å; D187-R206 IonicContact OD2-NH2 3.83Å; D187-R206 PolarHBondContact OD2-NH2 3.09Å; M190-R206 HydrophobicContact CE-CB 4.28Å; M190-R206 HydrophobicContact SD-CB 3.86Å; M190-R206 HydrophobicContact SD-CG 3.65Å; T202-R206 PolarHBondContact O-N 2.85Å; A204-R206 PolarHBondContact O-N 3.2Å; R206-V209 PolarHBondContact O-N 2.83Å; R206-R210 PolarHBondContact O-N 3Å
207E94.7Very high95.8Very high31 Ų3150.9 Ų50.915%0.14528%0.283CS..Hα-helixtrans-73.6-30.8177.1-62.3-65.4154.800112.3Q59 R62 A204 E205 V209 R210 D211Q59-E207 VanDerWaalsContact NE2-CG 3.3Å; Q59-E207 PolarHBondContact NE2-OE1 3.5Å; Q59-E207 PolarHBondContact NE2-OE2 3.07Å; R62-E207 IonicContact CZ-OE1 3.06Å; R62-E207 VanDerWaalsContact CZ-OE1 3.24Å; R62-E207 IonicContact NH1-OE1 3.28Å; R62-E207 PolarHBondContact NH1-OE1 2.93Å; R62-E207 IonicContact NH2-OE1 2.73Å; R62-E207 PolarHBondContact NH2-OE1 3.15Å; A204-E207 WeakPolarHBondContact O-CB 3.46Å; A204-E207 PolarHBondContact O-N 3.25Å; E205-E207 PolarHBondContact O-N 2.86Å; E207-V209 VanDerWaalsContact C-N 3.31Å; E207-R210 PolarHBondContact O-N 2.66Å; E207-R210 IonicContact OE2-CZ 3.48Å; E207-R210 IonicContact OE2-NE 2.86Å; E207-R210 PolarHBondContact OE2-NE 2.93Å; E207-R210 IonicContact OE2-NH2 3.19Å; E207-D211 PolarHBondContact O-N 2.92Å
208I96.9Very high95.9Very high31 Ų3149.6 Ų49.616%0.15926%0.259CS..Hα-helixtrans-62.5-45.3169.8-54.7173.6000108.9F200 E205 R210 D211 I212 Y240 L242 P243F200-I208 HydrophobicContact CE1-CG2 4.34Å; E205-I208 HydrophobicContact CG-CD1 4.46Å; E205-I208 WeakPolarHBondContact O-CA 3.27Å; E205-I208 VanDerWaalsContact O-CB 3.27Å; E205-I208 WeakPolarHBondContact O-CB 3.36Å; E205-I208 PolarHBondContact O-N 3.21Å; I208-R210 VanDerWaalsContact C-N 3.33Å; I208-R210 PolarHBondContact O-N 3.5Å; I208-D211 PolarHBondContact O-N 3.46Å; I208-D211 VanDerWaalsContact O-N 3.15Å; I208-I212 HydrophobicContact CG2-CD1 4.1Å; I208-I212 WeakPolarHBondContact O-CG1 3.47Å; I208-I212 PolarHBondContact O-N 3.14Å; I208-Y240 HydrophobicContact CG2-CE1 3.8Å; I208-L242 HydrophobicContact CG2-CD2 3.69Å; I208-P243 HydrophobicContact CD1-CG 3.81Å; I208-P243 HydrophobicContact CG1-CG 4.14Å
209V98.3Very high96.1Very high0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-65.2-36.9177.9-178.20000112.1T186 L189 M190 L193 F200 E205 R206 E207 D211 I212 K213T186-V209 HydrophobicContact CG2-CB 4.4Å; T186-V209 HydrophobicContact CG2-CG1 4.28Å; L189-V209 HydrophobicContact CB-CG1 3.74Å; L189-V209 HydrophobicContact CD2-CG1 3.71Å; L189-V209 HydrophobicContact CG-CG1 3.64Å; M190-V209 HydrophobicContact CB-CG1 4.49Å; M190-V209 HydrophobicContact CG-CB 3.78Å; M190-V209 HydrophobicContact CG-CG1 3.65Å; M190-V209 HydrophobicContact CG-CG2 3.75Å; L193-V209 HydrophobicContact CD1-CG1 3.97Å; L193-V209 HydrophobicContact CD1-CG2 4.09Å; F200-V209 HydrophobicContact CB-CG2 3.81Å; F200-V209 HydrophobicContact CD1-CG2 4.01Å; F200-V209 HydrophobicContact CD2-CG2 3.51Å; F200-V209 HydrophobicContact CE1-CG2 4.46Å; F200-V209 HydrophobicContact CE2-CG2 4.03Å; F200-V209 HydrophobicContact CG-CG2 3.48Å; F200-V209 VanDerWaalsContact CG-CG2 3.48Å; F200-V209 HydrophobicContact CZ-CG2 4.47Å; E205-V209 PolarHBondContact O-N 2.87Å; R206-V209 PolarHBondContact O-N 2.83Å; E207-V209 VanDerWaalsContact C-N 3.31Å; V209-D211 VanDerWaalsContact C-N 3.34Å; V209-D211 PolarHBondContact O-N 2.95Å; V209-I212 PolarHBondContact O-N 3.39Å; V209-K213 WeakPolarHBondContact O-CB 3.35Å; V209-K213 PolarHBondContact O-N 3.14Å
210R97.7Very high96.2Very high70 Ų7043.5 Ų43.526%0.26423%0.226SC..Hα-helixtrans-59.9-43.7171.4-171.5-170.861.771.17111.6T186 R206 E207 I208 K213 E214T186-R210 HydrophobicContact CG2-CB 3.91Å; R206-R210 PolarHBondContact O-N 3Å; E207-R210 PolarHBondContact O-N 2.66Å; E207-R210 IonicContact OE2-CZ 3.48Å; E207-R210 IonicContact OE2-NE 2.86Å; E207-R210 PolarHBondContact OE2-NE 2.93Å; E207-R210 IonicContact OE2-NH2 3.19Å; I208-R210 VanDerWaalsContact C-N 3.33Å; I208-R210 PolarHBondContact O-N 3.5Å; R210-K213 WeakPolarHBondContact O-CB 3.35Å; R210-K213 PolarHBondContact O-N 3.41Å; R210-E214 WeakPolarHBondContact CG-OE1 3.44Å; R210-E214 IonicContact CZ-OE1 3.8Å; R210-E214 IonicContact NH1-OE1 3.45Å; R210-E214 PolarHBondContact NH1-OE1 2.85Å; R210-E214 IonicContact NH1-OE2 2.73Å; R210-E214 PolarHBondContact NH1-OE2 3.42Å; R210-E214 WeakPolarHBondContact O-CG 3.43Å; R210-E214 PolarHBondContact O-N 3.42Å
211D98Very high96.4Very high36 Ų3647.3 Ų47.319%0.19325%0.246CC..Hα-helixtrans-66.9-41.8178.3-172.378.8000112.1E207 I208 V209 K213 E214 K215 Y240E207-D211 PolarHBondContact O-N 2.92Å; I208-D211 PolarHBondContact O-N 3.46Å; I208-D211 VanDerWaalsContact O-N 3.15Å; V209-D211 VanDerWaalsContact C-N 3.34Å; V209-D211 PolarHBondContact O-N 2.95Å; D211-K213 VanDerWaalsContact C-N 3.31Å; D211-K213 PolarHBondContact O-N 3.02Å; D211-E214 PolarHBondContact O-N 2.82Å; D211-K215 VanDerWaalsContact CG-NZ 3.32Å; D211-K215 WeakPolarHBondContact O-CB 3.44Å; D211-K215 WeakPolarHBondContact O-CG 3.35Å; D211-K215 PolarHBondContact O-N 2.8Å; D211-K215 WeakPolarHBondContact OD1-CE 3.42Å; D211-K215 IonicContact OD1-NZ 3.17Å; D211-K215 PolarHBondContact OD1-NZ 2.82Å; D211-K215 VanDerWaalsContact OD1-NZ 3.17Å; D211-K215 VanDerWaalsContact OD2-CD 3.27Å; D211-K215 WeakPolarHBondContact OD2-CD 3.27Å; D211-K215 WeakPolarHBondContact OD2-CE 3.1Å; D211-K215 IonicContact OD2-NZ 2.67Å; D211-K215 PolarHBondContact OD2-NZ 3.33Å; D211-Y240 WeakPolarHBondContact OD2-CE2 3.32Å; D211-Y240 PolarHBondContact OD2-OH 3.06Å
212I98.6Very high96.6Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-55.6-48.4171.3-68.8166.9000110.2L189 L193 F200 I208 V209 E214 K215 L216 Y240 I248 I250L189-I212 HydrophobicContact CD2-CB 4.45Å; L189-I212 HydrophobicContact CD2-CG2 4.06Å; L193-I212 HydrophobicContact CD1-CD1 4.36Å; F200-I212 HydrophobicContact CZ-CD1 4.42Å; I208-I212 HydrophobicContact CG2-CD1 4.1Å; I208-I212 WeakPolarHBondContact O-CG1 3.47Å; I208-I212 PolarHBondContact O-N 3.14Å; V209-I212 PolarHBondContact O-N 3.39Å; I212-E214 PolarHBondContact O-N 2.9Å; I212-K215 PolarHBondContact O-N 2.85Å; I212-L216 HydrophobicContact CG2-CD1 4.33Å; I212-L216 WeakPolarHBondContact O-CB 3.26Å; I212-L216 PolarHBondContact O-N 3.25Å; I212-Y240 HydrophobicContact CD1-CD1 4Å; I212-Y240 HydrophobicContact CD1-CE1 4.15Å; I212-Y240 HydrophobicContact CD1-CG 4.29Å; I212-Y240 HydrophobicContact CG1-CD1 3.77Å; I212-Y240 HydrophobicContact CG1-CD2 3.65Å; I212-Y240 HydrophobicContact CG1-CE1 3.79Å; I212-Y240 HydrophobicContact CG1-CE2 3.65Å; I212-Y240 HydrophobicContact CG1-CG 3.71Å; I212-I248 HydrophobicContact CD1-CD1 4.04Å; I212-I250 HydrophobicContact CG2-CD1 4.38Å; I212-I250 HydrophobicContact CG2-CG1 3.99Å; I212-I250 HydrophobicContact CG2-CG2 4.47Å
213K98.6Very high96.9Very high7 Ų742.7 Ų42.73%0.0321%0.214CC..Hα-helixtrans-57.3-51.1179-175-173.463.11370111.3G182 L185 T186 L189 V209 R210 D211 K215 C217 Y306G182-K213 PolarHBondContact O-NZ 2.65Å; L185-K213 HydrophobicContact CB-CD 3.96Å; T186-K213 WeakPolarHBondContact OG1-CE 3.32Å; T186-K213 PolarHBondContact OG1-NZ 3.18Å; L189-K213 HydrophobicContact CD2-CB 3.6Å; L189-K213 HydrophobicContact CD2-CG 4.28Å; V209-K213 WeakPolarHBondContact O-CB 3.35Å; V209-K213 PolarHBondContact O-N 3.14Å; R210-K213 WeakPolarHBondContact O-CB 3.35Å; R210-K213 PolarHBondContact O-N 3.41Å; D211-K213 VanDerWaalsContact C-N 3.31Å; D211-K213 PolarHBondContact O-N 3.02Å; K213-K215 PolarHBondContact O-N 3.26Å; K213-C217 WeakPolarHBondContact O-CB 3.16Å; K213-C217 PolarHBondContact O-N 2.95Å; K213-Y306 VanDerWaalsContact CD-OH 3.25Å; K213-Y306 WeakPolarHBondContact CD-OH 3.29Å; K213-Y306 HydrophobicContact CG-CE1 4.22Å; K213-Y306 WeakPolarHBondContact CG-OH 3.41Å
214E98.2Very high97.4Very high116 Ų11645.1 Ų45.154%0.54222%0.22SC..Hα-helixtrans-68.6-33.3-177.1-73.1174.1-160.600113.1R210 D211 I212R210-E214 WeakPolarHBondContact CG-OE1 3.44Å; R210-E214 IonicContact CZ-OE1 3.8Å; R210-E214 IonicContact NH1-OE1 3.45Å; R210-E214 PolarHBondContact NH1-OE1 2.85Å; R210-E214 IonicContact NH1-OE2 2.73Å; R210-E214 PolarHBondContact NH1-OE2 3.42Å; R210-E214 WeakPolarHBondContact O-CG 3.43Å; R210-E214 PolarHBondContact O-N 3.42Å; D211-E214 PolarHBondContact O-N 2.82Å; I212-E214 PolarHBondContact O-N 2.9Å
215K98.3Very high97.8Very high135 Ų13548.8 Ų48.859%0.58723%0.228SC*.Hα-helixtrans-85.7-37.6-178.4-72.8-179.4-178.2159.40114.2D211 I212 K213 Y240D211-K215 VanDerWaalsContact CG-NZ 3.32Å; D211-K215 WeakPolarHBondContact O-CB 3.44Å; D211-K215 WeakPolarHBondContact O-CG 3.35Å; D211-K215 PolarHBondContact O-N 2.8Å; D211-K215 WeakPolarHBondContact OD1-CE 3.42Å; D211-K215 IonicContact OD1-NZ 3.17Å; D211-K215 PolarHBondContact OD1-NZ 2.82Å; D211-K215 VanDerWaalsContact OD1-NZ 3.17Å; D211-K215 VanDerWaalsContact OD2-CD 3.27Å; D211-K215 WeakPolarHBondContact OD2-CD 3.27Å; D211-K215 WeakPolarHBondContact OD2-CE 3.1Å; D211-K215 IonicContact OD2-NZ 2.67Å; D211-K215 PolarHBondContact OD2-NZ 3.33Å; I212-K215 PolarHBondContact O-N 2.85Å; K213-K215 PolarHBondContact O-N 3.26Å; K215-Y240 HydrophobicContact CD-CE2 4.4Å
216L98.5Very high98Very high25 Ų2547.9 Ų47.913%0.13122%0.223CC..Hα-helixtrans-114.1-24.4-164.6-57.9-171.8000114.1I212 K238 Y240 I250 R254I212-L216 HydrophobicContact CG2-CD1 4.33Å; I212-L216 WeakPolarHBondContact O-CB 3.26Å; I212-L216 PolarHBondContact O-N 3.25Å; L216-K238 HydrophobicContact CD1-CB 4.2Å; L216-K238 HydrophobicContact CD2-CB 4.22Å; L216-Y240 HydrophobicContact CD1-CD2 4.05Å; L216-Y240 HydrophobicContact CD1-CG 4.42Å; L216-I250 HydrophobicContact CD1-CB 4.37Å; L216-I250 HydrophobicContact CD1-CG1 3.89Å; L216-R254 HydrophobicContact CB-CG 4.42Å; L216-R254 VanDerWaalsContact O-CZ 3.3Å; L216-R254 PolarHBondContact O-NE 3.08Å; L216-R254 PolarHBondContact O-NH2 3.34Å
217C98.8Very high98.1Very high4 Ų448.8 Ų48.83%0.02723%0.23CC..  trans-78151.7-178-67.60000112.7K213 R254 P258 Y306K213-C217 WeakPolarHBondContact O-CB 3.16Å; K213-C217 PolarHBondContact O-N 2.95Å; C217-R254 CarbonylContact C-O 3.53Å; C217-R254 WeakPolarHBondContact CA-O 3.34Å; C217-R254 WeakPolarHBondContact CB-O 3.39Å; C217-R254 PolarHBondContact SG-O 3.15Å; C217-R254 VanDerWaalsContact SG-O 3.37Å; C217-P258 HydrophobicContact CB-CG 4.36Å; C217-Y306 HydrophobicContact CB-CD1 4.07Å; C217-Y306 HydrophobicContact CB-CE1 3.59Å
218Y98.8Very high98.3Very high34 Ų3449.3 Ų49.313%0.13324%0.243CC..  trans-154.6156.5-179.665.7-81.2000110.1E226 R254 F255 P258Y218-E226 PolarHBondContact OH-OE1 3.25Å; Y218-R254 HydrophobicContact CD1-CB 4.09Å; Y218-R254 HydrophobicContact CE1-CB 3.79Å; Y218-R254 PolarHBondContact N-O 2.91Å; Y218-F255 HydrophobicContact CD2-CB 4.4Å; Y218-F255 HydrophobicContact CE1-CB 4.24Å; Y218-F255 HydrophobicContact CE1-CD1 4.34Å; Y218-F255 HydrophobicContact CE2-CB 4.02Å; Y218-F255 AromaticContact CZ-CD1 3.89Å; Y218-F255 VanDerWaalsContact O-CA 3.29Å; Y218-F255 WeakPolarHBondContact O-CA 3.49Å; Y218-F255 WeakPolarHBondContact O-CB 3.39Å; Y218-F255 WeakPolarHBondContact OH-CD1 3.34Å; Y218-P258 WeakPolarHBondContact O-CG 3.41Å
219V98.9Very high98.3Very high5 Ų550.1 Ų50.13%0.0325%0.25CC..  trans-88.9123.8175.7173.60000109.1P258 F262 Y306 P307 I309 R312V219-P258 HydrophobicContact CG2-CB 3.88Å; V219-P258 HydrophobicContact CG2-CG 4.34Å; V219-F262 HydrophobicContact CG1-CD2 4.39Å; V219-F262 HydrophobicContact CG1-CE2 3.61Å; V219-F262 HydrophobicContact CG1-CZ 4.04Å; V219-F262 HydrophobicContact CG2-CE2 4.04Å; V219-Y306 HydrophobicContact CG2-CD2 4.4Å; V219-Y306 HydrophobicContact CG2-CG 4.36Å; V219-P307 PolarHBondContact N-O 3.03Å; V219-I309 HydrophobicContact CB-CB 4.31Å; V219-I309 HydrophobicContact CG2-CB 3.92Å; V219-I309 HydrophobicContact CG2-CG1 4.1Å; V219-R312 HydrophobicContact CG1-CB 3.47Å; V219-R312 VanDerWaalsContact CG1-CB 3.47Å; V219-R312 HydrophobicContact CG1-CG 3.67Å
220A98.6Very high98.2Very high1 Ų151.4 Ų51.41%0.00826%0.26CS..  trans-73141.8171.900000110.8D222 E226 F255 R312A220-D222 VanDerWaalsContact C-N 3.34Å; A220-E226 HydrophobicContact CB-CB 3.73Å; A220-E226 HydrophobicContact CB-CG 3.81Å; A220-F255 HydrophobicContact CB-CB 4.22Å; A220-F255 HydrophobicContact CB-CD2 4.34Å; A220-F255 HydrophobicContact CB-CG 4.48Å; A220-R312 WeakPolarHBondContact O-CD 3.4Å; A220-R312 PolarHBondContact O-NH1 3.04Å
221L98.5Very high98.2Very high94 Ų9452.5 Ų52.549%0.49228%0.284SS..SBendtrans-69.9-35174.6-176.265.7000111.8D311 R312 K315L221-D311 HydrophobicContact CD1-CB 4.17Å; L221-R312 WeakPolarHBondContact O-CD 3.3Å; L221-K315 HydrophobicContact CD1-CB 4.13Å; L221-K315 HydrophobicContact CD1-CD 3.92Å; L221-K315 HydrophobicContact CG-CD 4.18Å; L221-K315 WeakPolarHBondContact O-CD 3.33Å; L221-K315 PolarHBondContact O-NZ 3.49Å
222D98.4Very high98Very high59 Ų5955.6 Ų55.632%0.31631%0.309SS..SBendtrans-135.8106.7174.7-165.5-64.1000108.9A220 E224 Q225 E226 K315A220-D222 VanDerWaalsContact C-N 3.34Å; D222-E224 PolarHBondContact O-N 3.22Å; D222-E224 PolarHBondContact OD1-N 2.99Å; D222-Q225 HydrophobicContact CB-CB 3.92Å; D222-Q225 PolarHBondContact O-N 2.9Å; D222-Q225 PolarHBondContact OD1-N 3.35Å; D222-Q225 VanDerWaalsContact OD1-N 3.07Å; D222-E226 WeakPolarHBondContact O-CB 3.5Å; D222-E226 PolarHBondContact O-N 2.9Å; D222-K315 IonicContact OD2-NZ 2.88Å; D222-K315 PolarHBondContact OD2-NZ 3.45Å
223F98.1Very high97.8Very high18 Ų1858 Ų588%0.07933%0.326CS..Hα-helixtrans-63-43.5-172.2177.2-102.8000112.5E226 M227 F255 R256 E259 F266F223-E226 PolarHBondContact O-N 2.86Å; F223-M227 HydrophobicContact CD1-CG 4.29Å; F223-M227 HydrophobicContact CE1-CG 3.81Å; F223-M227 HydrophobicContact CE2-CG 4.1Å; F223-M227 HydrophobicContact CE2-SD 4.37Å; F223-M227 HydrophobicContact CZ-CG 3.71Å; F223-M227 HydrophobicContact CZ-SD 4.05Å; F223-M227 WeakPolarHBondContact O-CB 3.29Å; F223-M227 WeakPolarHBondContact O-CG 3.49Å; F223-M227 PolarHBondContact O-N 2.68Å; F223-F255 AromaticContact CD2-CD2 3.97Å; F223-F255 HydrophobicContact CD2-CD2 3.97Å; F223-F255 HydrophobicContact CD2-CE2 4.23Å; F223-F255 AromaticContact CE2-CD2 3.92Å; F223-F255 HydrophobicContact CE2-CD2 3.92Å; F223-F255 HydrophobicContact CE2-CE2 4.02Å; F223-R256 HydrophobicContact CE2-CG 3.92Å; F223-R256 HydrophobicContact CZ-CG 4.06Å; F223-E259 HydrophobicContact CB-CG 4.4Å; F223-E259 HydrophobicContact CD1-CG 4.36Å; F223-E259 HydrophobicContact CD2-CB 3.78Å; F223-E259 HydrophobicContact CD2-CG 3.43Å; F223-E259 VanDerWaalsContact CD2-CG 3.43Å; F223-E259 HydrophobicContact CE2-CB 3.79Å; F223-E259 HydrophobicContact CE2-CG 3.69Å; F223-E259 HydrophobicContact CG-CG 3.79Å; F223-E259 HydrophobicContact CZ-CG 4.26Å; F223-F266 HydrophobicContact CE1-CE2 4.14Å; F223-F266 AromaticContact CE1-CZ 3.85Å; F223-F266 HydrophobicContact CE1-CZ 3.85Å; F223-F266 HydrophobicContact CE2-CE2 4.25Å; F223-F266 AromaticContact CZ-CE2 3.72Å; F223-F266 HydrophobicContact CZ-CE2 3.72Å; F223-F266 AromaticContact CZ-CZ 3.89Å; F223-F266 HydrophobicContact CZ-CZ 3.89Å
224E97.9Very high97.6Very high128 Ų12861.5 Ų61.560%0.59835%0.351SS*.Hα-helixtrans-68.6-40.8-177.9-64.2-57.5148.400111.5D222 M227 G228D222-E224 PolarHBondContact O-N 3.22Å; D222-E224 PolarHBondContact OD1-N 2.99Å; E224-M227 PolarHBondContact O-N 3.34Å; E224-G228 PolarHBondContact O-N 3.45Å
225Q97.9Very high97.5Very high135 Ų13559.8 Ų59.863%0.63135%0.352SS*.Hα-helixtrans-63-42.5173.9-174.5-176.1-11.400111.8D222 M227 G228 T229D222-Q225 HydrophobicContact CB-CB 3.92Å; D222-Q225 PolarHBondContact O-N 2.9Å; D222-Q225 PolarHBondContact OD1-N 3.35Å; D222-Q225 VanDerWaalsContact OD1-N 3.07Å; Q225-M227 VanDerWaalsContact C-N 3.35Å; Q225-G228 PolarHBondContact O-N 3.19Å; Q225-T229 PolarHBondContact O-N 2.78Å; Q225-T229 PolarHBondContact O-OG1 3.34Å
226E98.2Very high97.4Very high40 Ų4054.7 Ų54.719%0.18733%0.331CS..Hα-helixtrans-65.4-39.9178.6-159.781.1-164.500110.9Y218 A220 D222 F223 T229 A230 L236 F255Y218-E226 PolarHBondContact OH-OE1 3.25Å; A220-E226 HydrophobicContact CB-CB 3.73Å; A220-E226 HydrophobicContact CB-CG 3.81Å; D222-E226 WeakPolarHBondContact O-CB 3.5Å; D222-E226 PolarHBondContact O-N 2.9Å; F223-E226 PolarHBondContact O-N 2.86Å; E226-T229 PolarHBondContact O-N 2.94Å; E226-A230 WeakPolarHBondContact O-CB 3.46Å; E226-A230 PolarHBondContact O-N 2.84Å; E226-L236 HydrophobicContact CG-CD1 3.96Å; E226-L236 VanDerWaalsContact OE1-CD1 3.3Å; E226-L236 WeakPolarHBondContact OE1-CD1 3.36Å; E226-L236 WeakPolarHBondContact OE1-CD2 3.44Å; E226-F255 HydrophobicContact CB-CD2 4.07Å; E226-F255 HydrophobicContact CB-CE1 4.47Å; E226-F255 HydrophobicContact CB-CE2 3.81Å; E226-F255 HydrophobicContact CB-CZ 4.03Å; E226-F255 HydrophobicContact CG-CD1 3.66Å; E226-F255 HydrophobicContact CG-CD2 3.8Å; E226-F255 HydrophobicContact CG-CE1 3.61Å; E226-F255 HydrophobicContact CG-CE2 3.76Å; E226-F255 HydrophobicContact CG-CG 3.75Å; E226-F255 HydrophobicContact CG-CZ 3.66Å
227M98Very high97.4Very high55 Ų5557.2 Ų57.227%0.27134%0.342SS..Hα-helixtrans-59.4-45.7171.9-79.5-59-64.900112.2F223 E224 Q225 T229 A230 A231 N252 F255 R256F223-M227 HydrophobicContact CD1-CG 4.29Å; F223-M227 HydrophobicContact CE1-CG 3.81Å; F223-M227 HydrophobicContact CE2-CG 4.1Å; F223-M227 HydrophobicContact CE2-SD 4.37Å; F223-M227 HydrophobicContact CZ-CG 3.71Å; F223-M227 HydrophobicContact CZ-SD 4.05Å; F223-M227 WeakPolarHBondContact O-CB 3.29Å; F223-M227 WeakPolarHBondContact O-CG 3.49Å; F223-M227 PolarHBondContact O-N 2.68Å; E224-M227 PolarHBondContact O-N 3.34Å; Q225-M227 VanDerWaalsContact C-N 3.35Å; M227-T229 VanDerWaalsContact C-N 3.31Å; M227-T229 PolarHBondContact O-N 2.93Å; M227-A230 PolarHBondContact O-N 3.13Å; M227-A231 WeakPolarHBondContact O-CB 3.49Å; M227-A231 PolarHBondContact O-N 3.04Å; M227-N252 HydrophobicContact SD-CB 4.23Å; M227-F255 HydrophobicContact CG-CE2 3.83Å; M227-F255 HydrophobicContact CG-CZ 4.33Å; M227-F255 HydrophobicContact SD-CE2 3.56Å; M227-F255 VanDerWaalsContact SD-CE2 3.56Å; M227-F255 HydrophobicContact SD-CZ 3.78Å; M227-R256 HydrophobicContact SD-CG 3.89Å
228G98.1Very high97.3Very high42 Ų4262.2 Ų62.243%0.43336%0.363SS..Hα-helixtrans-61.9-37.9175.900000113E224 Q225 A231 S232E224-G228 PolarHBondContact O-N 3.45Å; Q225-G228 PolarHBondContact O-N 3.19Å; G228-A231 PolarHBondContact O-N 2.7Å; G228-S232 PolarHBondContact O-N 2.81Å; G228-S232 PolarHBondContact O-OG 2.99Å
229T97.6Very high97.3Very high48 Ų4864.6 Ų64.629%0.29439%0.385SS..Hα-helixtrans-66.8-44.8175.1-56.10000111.1Q225 E226 M227 A231 S232 S233 L236Q225-T229 PolarHBondContact O-N 2.78Å; Q225-T229 PolarHBondContact O-OG1 3.34Å; E226-T229 PolarHBondContact O-N 2.94Å; M227-T229 VanDerWaalsContact C-N 3.31Å; M227-T229 PolarHBondContact O-N 2.93Å; T229-A231 VanDerWaalsContact C-N 3.27Å; T229-A231 PolarHBondContact O-N 3.47Å; T229-S232 PolarHBondContact O-N 3.39Å; T229-S232 PolarHBondContact O-OG 3.33Å; T229-S233 WeakPolarHBondContact O-CB 3.41Å; T229-S233 PolarHBondContact O-N 2.92Å; T229-L236 HydrophobicContact CG2-CD1 3.91Å; T229-L236 HydrophobicContact CG2-CG 4.2Å
230A96.9Very high97.2Very high27 Ų2765.7 Ų65.722%0.22339%0.389CS..Hα-helixtrans-64.7-29.717800000113.3E226 M227 L236 N252 F255E226-A230 WeakPolarHBondContact O-CB 3.46Å; E226-A230 PolarHBondContact O-N 2.84Å; M227-A230 PolarHBondContact O-N 3.13Å; A230-L236 HydrophobicContact CB-CD1 4.03Å; A230-N252 HydrophobicContact CB-CB 3.9Å; A230-F255 HydrophobicContact CB-CE1 3.98Å; A230-F255 HydrophobicContact CB-CZ 3.86Å
231A96.4Very high97.2Very high93 Ų9372 Ų7277%0.76942%0.419SS*.Hα-helixtrans-75.4-24.9176.400000113.3M227 G228 T229M227-A231 WeakPolarHBondContact O-CB 3.49Å; M227-A231 PolarHBondContact O-N 3.04Å; G228-A231 PolarHBondContact O-N 2.7Å; T229-A231 VanDerWaalsContact C-N 3.27Å; T229-A231 PolarHBondContact O-N 3.47Å
232S95.8Very high97.1Very high102 Ų10268.4 Ų68.471%0.71340%0.4SS*.Hα-helixtrans-107-14.4-174.855.30000114.3G228 T229G228-S232 PolarHBondContact O-N 2.81Å; G228-S232 PolarHBondContact O-OG 2.99Å; T229-S232 PolarHBondContact O-N 3.39Å; T229-S232 PolarHBondContact O-OG 3.33Å
233S93.5Very high96.9Very high49 Ų4970.8 Ų70.834%0.34342%0.418SS..  trans-146142.3-173.9179.20000112T229 S235T229-S233 WeakPolarHBondContact O-CB 3.41Å; T229-S233 PolarHBondContact O-N 2.92Å; S233-S235 PolarHBondContact O-N 3.13Å; S233-S235 WeakPolarHBondContact OG-CB 3.32Å; S233-S235 PolarHBondContact OG-N 3.39Å; S233-S235 PolarHBondContact OG-OG 3.16Å
234S94.5Very high96.7Very high81 Ų8175.6 Ų75.657%0.56644%0.444SS*.G310 helixtrans-83.23.5169.461.40000113.4L236 E237S234-L236 PolarHBondContact O-N 3.43Å; S234-L236 VanDerWaalsContact O-N 3.07Å; S234-E237 VanDerWaalsContact O-CB 3.32Å; S234-E237 WeakPolarHBondContact O-CB 3.3Å; S234-E237 PolarHBondContact O-N 2.94Å
235S95.8Very high96.5Very high81 Ų8171.4 Ų71.457%0.56644%0.436SS*.G310 helixtrans-60.3-21.7-177.257.30000114.3S233S233-S235 PolarHBondContact O-N 3.13Å; S233-S235 WeakPolarHBondContact OG-CB 3.32Å; S233-S235 PolarHBondContact OG-N 3.39Å; S233-S235 PolarHBondContact OG-OG 3.16Å
236L96.4Very high96.4Very high27 Ų2770 Ų7014%0.14143%0.429CS..G310 helixtrans-90.2-7.6177.5-57.7-178000112.9E226 T229 A230 S234 R254 F255E226-L236 HydrophobicContact CG-CD1 3.96Å; E226-L236 VanDerWaalsContact OE1-CD1 3.3Å; E226-L236 WeakPolarHBondContact OE1-CD1 3.36Å; E226-L236 WeakPolarHBondContact OE1-CD2 3.44Å; T229-L236 HydrophobicContact CG2-CD1 3.91Å; T229-L236 HydrophobicContact CG2-CG 4.2Å; A230-L236 HydrophobicContact CB-CD1 4.03Å; S234-L236 PolarHBondContact O-N 3.43Å; S234-L236 VanDerWaalsContact O-N 3.07Å; L236-R254 PolarHBondContact O-NH1 3.35Å; L236-F255 HydrophobicContact CD1-CE1 4.03Å
237E97.6Very high96.4Very high79 Ų7972.1 Ų72.137%0.36945%0.445SS..  trans-73.5145.3179.4-59.9-167.7140.900111.6R196 S234 T249 I250R196-E237 IonicContact CZ-OE1 3.96Å; R196-E237 IonicContact NH2-OE1 2.8Å; R196-E237 PolarHBondContact NH2-OE1 3.06Å; S234-E237 VanDerWaalsContact O-CB 3.32Å; S234-E237 WeakPolarHBondContact O-CB 3.3Å; S234-E237 PolarHBondContact O-N 2.94Å; E237-T249 HydrophobicContact CB-CG2 3.76Å; E237-T249 HydrophobicContact CG-CG2 4.17Å; E237-I250 WeakPolarHBondContact CA-O 3.35Å
238K98.1Very high96.4Very high108 Ų10869.6 Ų69.647%0.4743%0.432SS..EExtended strand (participates in β ladder)trans-133.2140.3171.8-70.3-67.2-178.3-177.40110.3L216 I250 R254L216-K238 HydrophobicContact CD1-CB 4.2Å; L216-K238 HydrophobicContact CD2-CB 4.22Å; K238-I250 PolarHBondContact N-O 3.45Å; K238-I250 PolarHBondContact O-N 3.46Å; K238-R254 VanDerWaalsContact CG-NH1 3.34Å
239S97.4Very high96.3Very high84 Ų8469.5 Ų69.559%0.58742%0.424SS*.EExtended strand (participates in β ladder)trans-82.7145.9172.2-56.10000110.8I248S239-I248 CarbonylContact C-O 3.53Å; S239-I248 VanDerWaalsContact CA-O 3.3Å; S239-I248 WeakPolarHBondContact CA-O 3.34Å
240Y98.2Very high96.4Very high29 Ų2967.2 Ų67.211%0.11441%0.41CS..EExtended strand (participates in β ladder)trans-133.4132.8173.3-176.9-86.6000109I208 D211 I212 K215 L216 L242 V247 I248I208-Y240 HydrophobicContact CG2-CE1 3.8Å; D211-Y240 WeakPolarHBondContact OD2-CE2 3.32Å; D211-Y240 PolarHBondContact OD2-OH 3.06Å; I212-Y240 HydrophobicContact CD1-CD1 4Å; I212-Y240 HydrophobicContact CD1-CE1 4.15Å; I212-Y240 HydrophobicContact CD1-CG 4.29Å; I212-Y240 HydrophobicContact CG1-CD1 3.77Å; I212-Y240 HydrophobicContact CG1-CD2 3.65Å; I212-Y240 HydrophobicContact CG1-CE1 3.79Å; I212-Y240 HydrophobicContact CG1-CE2 3.65Å; I212-Y240 HydrophobicContact CG1-CG 3.71Å; K215-Y240 HydrophobicContact CD-CE2 4.4Å; L216-Y240 HydrophobicContact CD1-CD2 4.05Å; L216-Y240 HydrophobicContact CD1-CG 4.42Å; Y240-L242 HydrophobicContact CD1-CD2 4.06Å; Y240-L242 HydrophobicContact CE1-CD2 4.03Å; Y240-V247 WeakPolarHBondContact O-CA 3.15Å; Y240-I248 HydrophobicContact CD1-CG1 4.38Å; Y240-I248 PolarHBondContact N-O 3.33Å; Y240-I248 PolarHBondContact O-N 3.06Å
241E98.1Very high96.4Very high134 Ų13466 Ų6663%0.62640%0.4SS*.EExtended strand (participates in β ladder)trans-93118.8177.4-171.1177.6165.200109.8V247E241-V247 HydrophobicContact CB-CG2 4.43Å; E241-V247 HydrophobicContact CG-CG2 4.35Å
242L96.3Very high96.5Very high18 Ų1863.4 Ų63.49%0.09437%0.373CS..  trans-72.2158.7175.3-65.2179000110.8F200 I208 Y240 D244 G245 Q246 I248F200-L242 HydrophobicContact CE1-CD2 3.98Å; F200-L242 HydrophobicContact CZ-CD2 4.09Å; I208-L242 HydrophobicContact CG2-CD2 3.69Å; Y240-L242 HydrophobicContact CD1-CD2 4.06Å; Y240-L242 HydrophobicContact CE1-CD2 4.03Å; L242-D244 WeakPolarHBondContact CB-OD1 3.37Å; L242-D244 PolarHBondContact O-N 2.87Å; L242-G245 WeakPolarHBondContact O-CA 3.45Å; L242-G245 PolarHBondContact O-N 2.87Å; L242-Q246 HydrophobicContact CB-CB 4.43Å; L242-Q246 VanDerWaalsContact CB-O 3.29Å; L242-Q246 WeakPolarHBondContact CB-O 3.22Å; L242-Q246 HydrophobicContact CD1-CB 4.16Å; L242-Q246 HydrophobicContact CD1-CG 4.36Å; L242-Q246 WeakPolarHBondContact CG-O 2.95Å; L242-Q246 PolarHBondContact N-O 2.9Å; L242-I248 HydrophobicContact CD1-CG2 3.75Å; L242-I248 HydrophobicContact CD2-CD1 3.92Å; L242-I248 HydrophobicContact CD2-CG1 4.42Å; L242-I248 HydrophobicContact CG-CD1 4.31Å; L242-I248 HydrophobicContact CG-CG1 4.37Å; L242-I248 HydrophobicContact CG-CG2 4.19Å
243P93.4Very high96.6Very high108 Ų10858.9 Ų58.970%0.70134%0.34SS*.THydrogen-bonded Turntrans-59.4-19.1-179.6-26.336.1000115.6I208 G245I208-P243 HydrophobicContact CD1-CG 3.81Å; I208-P243 HydrophobicContact CG1-CG 4.14Å; P243-G245 VanDerWaalsContact C-N 3.32Å
244D93.7Very high96.8Very high119 Ų11958 Ų5864%0.63633%0.329SS*.THydrogen-bonded Turntrans-881.8174.863.1-0.1000113.3L242 Q246L242-D244 WeakPolarHBondContact CB-OD1 3.37Å; L242-D244 PolarHBondContact O-N 2.87Å; D244-Q246 VanDerWaalsContact C-N 3.34Å; D244-Q246 VanDerWaalsContact OD1-CB 3.29Å; D244-Q246 WeakPolarHBondContact OD1-CB 3.36Å; D244-Q246 PolarHBondContact OD1-N 2.63Å
245G95.3Very high97Very high40 Ų4054.1 Ų54.141%0.41230%0.303SS..SBendtrans86-3.3-177.600000114.3L242 P243 V247L242-G245 WeakPolarHBondContact O-CA 3.45Å; L242-G245 PolarHBondContact O-N 2.87Å; P243-G245 VanDerWaalsContact C-N 3.32Å; G245-V247 PolarHBondContact O-N 3.5Å
246Q95.9Very high97.2Very high105 Ų10552.5 Ų52.549%0.49128%0.284SS..  trans-69.3129.3175.4-179.8179.61.400110.2L242 D244 I248L242-Q246 HydrophobicContact CB-CB 4.43Å; L242-Q246 VanDerWaalsContact CB-O 3.29Å; L242-Q246 WeakPolarHBondContact CB-O 3.22Å; L242-Q246 HydrophobicContact CD1-CB 4.16Å; L242-Q246 HydrophobicContact CD1-CG 4.36Å; L242-Q246 WeakPolarHBondContact CG-O 2.95Å; L242-Q246 PolarHBondContact N-O 2.9Å; D244-Q246 VanDerWaalsContact C-N 3.34Å; D244-Q246 VanDerWaalsContact OD1-CB 3.29Å; D244-Q246 WeakPolarHBondContact OD1-CB 3.36Å; D244-Q246 PolarHBondContact OD1-N 2.63Å; Q246-I248 HydrophobicContact CG-CG2 4.4Å
247V97.4Very high97.3Very high85 Ų8551.2 Ų51.252%0.51528%0.277SS..EExtended strand (participates in β ladder)trans-93.3125.6174.6-177.90000110Y240 E241 G245Y240-V247 WeakPolarHBondContact O-CA 3.15Å; E241-V247 HydrophobicContact CB-CG2 4.43Å; E241-V247 HydrophobicContact CG-CG2 4.35Å; G245-V247 PolarHBondContact O-N 3.5Å
248I97.4Very high97.3Very high2 Ų247.5 Ų47.51%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-112.4156.4174.763.5171.4000110.8Y198 F200 I212 S239 Y240 L242 Q246 I250Y198-I248 HydrophobicContact CD1-CB 4.29Å; Y198-I248 HydrophobicContact CD1-CG2 3.81Å; Y198-I248 HydrophobicContact CD2-CB 4.38Å; Y198-I248 HydrophobicContact CE1-CB 3.87Å; Y198-I248 HydrophobicContact CE1-CG2 3.55Å; Y198-I248 HydrophobicContact CE2-CB 3.96Å; Y198-I248 HydrophobicContact CG-CG2 4.4Å; F200-I248 HydrophobicContact CZ-CD1 3.94Å; I212-I248 HydrophobicContact CD1-CD1 4.04Å; S239-I248 CarbonylContact C-O 3.53Å; S239-I248 VanDerWaalsContact CA-O 3.3Å; S239-I248 WeakPolarHBondContact CA-O 3.34Å; Y240-I248 HydrophobicContact CD1-CG1 4.38Å; Y240-I248 PolarHBondContact N-O 3.33Å; Y240-I248 PolarHBondContact O-N 3.06Å; L242-I248 HydrophobicContact CD1-CG2 3.75Å; L242-I248 HydrophobicContact CD2-CD1 3.92Å; L242-I248 HydrophobicContact CD2-CG1 4.42Å; L242-I248 HydrophobicContact CG-CD1 4.31Å; L242-I248 HydrophobicContact CG-CG1 4.37Å; L242-I248 HydrophobicContact CG-CG2 4.19Å; Q246-I248 HydrophobicContact CG-CG2 4.4Å; I248-I250 HydrophobicContact CD1-CD1 3.63Å; I248-I250 HydrophobicContact CG1-CD1 3.89Å
249T97.7Very high97.3Very high41 Ų4142.3 Ų42.325%0.25224%0.237SC..EExtended strand (participates in β ladder)trans-111120.9179.6-61.20000110.4R196 Y198 E237R196-T249 PolarHBondContact NE-O 2.96Å; Y198-T249 WeakPolarHBondContact CE2-O 3.46Å; Y198-T249 PolarHBondContact OH-N 3.32Å; E237-T249 HydrophobicContact CB-CG2 3.76Å; E237-T249 HydrophobicContact CG-CG2 4.17Å
250I98.2Very high97.4Very high0 Ų038.3 Ų38.30%021%0.209CC..EExtended strand (participates in β ladder)trans-101.1122.5176.1-41.3-49.7000108.4L193 I212 L216 E237 K238 I248 E253 R254L193-I250 HydrophobicContact CD2-CD1 3.73Å; L193-I250 HydrophobicContact CD2-CG2 4.22Å; I212-I250 HydrophobicContact CG2-CD1 4.38Å; I212-I250 HydrophobicContact CG2-CG1 3.99Å; I212-I250 HydrophobicContact CG2-CG2 4.47Å; L216-I250 HydrophobicContact CD1-CB 4.37Å; L216-I250 HydrophobicContact CD1-CG1 3.89Å; E237-I250 WeakPolarHBondContact CA-O 3.35Å; K238-I250 PolarHBondContact N-O 3.45Å; K238-I250 PolarHBondContact O-N 3.46Å; I248-I250 HydrophobicContact CD1-CD1 3.63Å; I248-I250 HydrophobicContact CG1-CD1 3.89Å; I250-E253 HydrophobicContact CG2-CB 4.1Å; I250-R254 HydrophobicContact CB-CG 4.09Å; I250-R254 HydrophobicContact CG2-CG 3.59Å; I250-R254 WeakPolarHBondContact O-CD 3.49Å
251G97.8Very high97.4Very high2 Ų237 Ų372%0.02120%0.204CC..  trans-107.5-118.4-176.200000112.2E253 R254G251-E253 VanDerWaalsContact C-OE2 3.24Å; G251-E253 VanDerWaalsContact CA-OE2 3.29Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; G251-E253 PolarHBondContact N-OE2 2.94Å; G251-E253 PolarHBondContact O-N 3.39Å; G251-E253 VanDerWaalsContact O-N 3.14Å; G251-R254 WeakPolarHBondContact O-CB 3.47Å; G251-R254 WeakPolarHBondContact O-CG 3.34Å; G251-R254 PolarHBondContact O-N 3.48Å; G251-R254 VanDerWaalsContact O-N 3.16Å
252N97.7Very high97.4Very high37 Ų3730.9 Ų30.920%0.19818%0.175CC..THydrogen-bonded Turntrans-65.2-15.7-177.664.937.9000113.8M227 A230 R254 F255 R256M227-N252 HydrophobicContact SD-CB 4.23Å; A230-N252 HydrophobicContact CB-CB 3.9Å; N252-R254 PolarHBondContact O-N 3.07Å; N252-R254 VanDerWaalsContact O-N 3.12Å; N252-F255 VanDerWaalsContact CA-CE1 3.5Å; N252-F255 HydrophobicContact CB-CE1 3.72Å; N252-F255 HydrophobicContact CB-CE2 4.46Å; N252-F255 HydrophobicContact CB-CZ 3.63Å; N252-F255 PolarHBondContact O-N 2.93Å; N252-F255 VanDerWaalsContact O-N 3.15Å; N252-R256 HydrophobicContact CB-CG 4.48Å; N252-R256 WeakPolarHBondContact O-CB 3.1Å; N252-R256 WeakPolarHBondContact O-CG 3.26Å; N252-R256 PolarHBondContact O-N 3.16Å; N252-R256 WeakPolarHBondContact OD1-CD 3.45Å; N252-R256 PolarHBondContact OD1-NH1 3.16Å
253E98.3Very high97.5Very high7 Ų733.2 Ų33.23%0.03319%0.186CC..Hα-helixtrans-58.6-26.6174.9-54.677.8-163.700111.3L189 I192 L193 R196 I250 G251 F255 C257L189-E253 HydrophobicContact CD1-CB 3.92Å; I192-E253 HydrophobicContact CB-CG 4.24Å; I192-E253 HydrophobicContact CD1-CB 3.72Å; I192-E253 HydrophobicContact CD1-CG 4.06Å; I192-E253 HydrophobicContact CG1-CB 3.92Å; I192-E253 HydrophobicContact CG1-CG 3.84Å; L193-E253 HydrophobicContact CD2-CB 4.41Å; L193-E253 HydrophobicContact CD2-CG 4.35Å; R196-E253 WeakPolarHBondContact CD-OE1 3.42Å; R196-E253 IonicContact CZ-OE2 3.92Å; R196-E253 IonicContact NH1-OE1 3.11Å; R196-E253 PolarHBondContact NH1-OE1 2.84Å; R196-E253 VanDerWaalsContact NH1-OE1 3.11Å; R196-E253 IonicContact NH1-OE2 3.29Å; R196-E253 PolarHBondContact NH1-OE2 2.92Å; I250-E253 HydrophobicContact CG2-CB 4.1Å; G251-E253 VanDerWaalsContact C-OE2 3.24Å; G251-E253 VanDerWaalsContact CA-OE2 3.29Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; G251-E253 PolarHBondContact N-OE2 2.94Å; G251-E253 PolarHBondContact O-N 3.39Å; G251-E253 VanDerWaalsContact O-N 3.14Å; E253-F255 VanDerWaalsContact C-N 3.32Å; E253-F255 PolarHBondContact O-N 2.85Å; E253-C257 VanDerWaalsContact O-CB 3.27Å; E253-C257 WeakPolarHBondContact O-CB 3.27Å; E253-C257 PolarHBondContact O-N 2.82Å; E253-C257 VanDerWaalsContact O-N 3.1Å
254R98.6Very high97.8Very high30 Ų3028.2 Ų28.211%0.11315%0.154CC..Hα-helixtrans-57.8-40176.9-64.4178.166-137.6-10.8113L216 C217 Y218 L236 K238 I250 G251 N252 P258L216-R254 HydrophobicContact CB-CG 4.42Å; L216-R254 VanDerWaalsContact O-CZ 3.3Å; L216-R254 PolarHBondContact O-NE 3.08Å; L216-R254 PolarHBondContact O-NH2 3.34Å; C217-R254 CarbonylContact C-O 3.53Å; C217-R254 WeakPolarHBondContact CA-O 3.34Å; C217-R254 WeakPolarHBondContact CB-O 3.39Å; C217-R254 PolarHBondContact SG-O 3.15Å; C217-R254 VanDerWaalsContact SG-O 3.37Å; Y218-R254 HydrophobicContact CD1-CB 4.09Å; Y218-R254 HydrophobicContact CE1-CB 3.79Å; Y218-R254 PolarHBondContact N-O 2.91Å; L236-R254 PolarHBondContact O-NH1 3.35Å; K238-R254 VanDerWaalsContact CG-NH1 3.34Å; I250-R254 HydrophobicContact CB-CG 4.09Å; I250-R254 HydrophobicContact CG2-CG 3.59Å; I250-R254 WeakPolarHBondContact O-CD 3.49Å; G251-R254 WeakPolarHBondContact O-CB 3.47Å; G251-R254 WeakPolarHBondContact O-CG 3.34Å; G251-R254 PolarHBondContact O-N 3.48Å; G251-R254 VanDerWaalsContact O-N 3.16Å; N252-R254 PolarHBondContact O-N 3.07Å; N252-R254 VanDerWaalsContact O-N 3.12Å; R254-P258 WeakPolarHBondContact O-CD 3.45Å
255F98.6Very high97.9Very high1 Ų126.4 Ų26.40%0.00415%0.15CC..Hα-helixtrans-109.3-22.1179.764.2-94.1000113.6Y218 A220 F223 E226 M227 A230 L236 N252 E253 P258 E259Y218-F255 HydrophobicContact CD2-CB 4.4Å; Y218-F255 HydrophobicContact CE1-CB 4.24Å; Y218-F255 HydrophobicContact CE1-CD1 4.34Å; Y218-F255 HydrophobicContact CE2-CB 4.02Å; Y218-F255 AromaticContact CZ-CD1 3.89Å; Y218-F255 VanDerWaalsContact O-CA 3.29Å; Y218-F255 WeakPolarHBondContact O-CA 3.49Å; Y218-F255 WeakPolarHBondContact O-CB 3.39Å; Y218-F255 WeakPolarHBondContact OH-CD1 3.34Å; A220-F255 HydrophobicContact CB-CB 4.22Å; A220-F255 HydrophobicContact CB-CD2 4.34Å; A220-F255 HydrophobicContact CB-CG 4.48Å; F223-F255 AromaticContact CD2-CD2 3.97Å; F223-F255 HydrophobicContact CD2-CD2 3.97Å; F223-F255 HydrophobicContact CD2-CE2 4.23Å; F223-F255 AromaticContact CE2-CD2 3.92Å; F223-F255 HydrophobicContact CE2-CD2 3.92Å; F223-F255 HydrophobicContact CE2-CE2 4.02Å; E226-F255 HydrophobicContact CB-CD2 4.07Å; E226-F255 HydrophobicContact CB-CE1 4.47Å; E226-F255 HydrophobicContact CB-CE2 3.81Å; E226-F255 HydrophobicContact CB-CZ 4.03Å; E226-F255 HydrophobicContact CG-CD1 3.66Å; E226-F255 HydrophobicContact CG-CD2 3.8Å; E226-F255 HydrophobicContact CG-CE1 3.61Å; E226-F255 HydrophobicContact CG-CE2 3.76Å; E226-F255 HydrophobicContact CG-CG 3.75Å; E226-F255 HydrophobicContact CG-CZ 3.66Å; M227-F255 HydrophobicContact CG-CE2 3.83Å; M227-F255 HydrophobicContact CG-CZ 4.33Å; M227-F255 HydrophobicContact SD-CE2 3.56Å; M227-F255 VanDerWaalsContact SD-CE2 3.56Å; M227-F255 HydrophobicContact SD-CZ 3.78Å; A230-F255 HydrophobicContact CB-CE1 3.98Å; A230-F255 HydrophobicContact CB-CZ 3.86Å; L236-F255 HydrophobicContact CD1-CE1 4.03Å; N252-F255 VanDerWaalsContact CA-CE1 3.5Å; N252-F255 HydrophobicContact CB-CE1 3.72Å; N252-F255 HydrophobicContact CB-CE2 4.46Å; N252-F255 HydrophobicContact CB-CZ 3.63Å; N252-F255 PolarHBondContact O-N 2.93Å; N252-F255 VanDerWaalsContact O-N 3.15Å; E253-F255 VanDerWaalsContact C-N 3.32Å; E253-F255 PolarHBondContact O-N 2.85Å; F255-P258 WeakPolarHBondContact O-CD 3.48Å; F255-E259 WeakPolarHBondContact O-CB 3.39Å; F255-E259 PolarHBondContact O-N 2.92Å
256R98.3Very high97.9Very high47 Ų4727.4 Ų27.418%0.17714%0.143CC..Hα-helixtrans-62.9-41.6170-75.2173.468.4-155.4-2.9112.7Y188 I192 E195 F223 M227 N252 E259Y188-R256 WeakPolarHBondContact CE1-O 3.38Å; I192-R256 HydrophobicContact CD1-CB 4.2Å; E195-R256 IonicContact OE2-CZ 4Å; E195-R256 IonicContact OE2-NH1 2.73Å; E195-R256 IonicContact OE2-NH2 3.24Å; E195-R256 PolarHBondContact OE2-NH2 2.94Å; E195-R256 VanDerWaalsContact OE2-NH2 3.1Å; F223-R256 HydrophobicContact CE2-CG 3.92Å; F223-R256 HydrophobicContact CZ-CG 4.06Å; M227-R256 HydrophobicContact SD-CG 3.89Å; N252-R256 HydrophobicContact CB-CG 4.48Å; N252-R256 WeakPolarHBondContact O-CB 3.1Å; N252-R256 WeakPolarHBondContact O-CG 3.26Å; N252-R256 PolarHBondContact O-N 3.16Å; N252-R256 WeakPolarHBondContact OD1-CD 3.45Å; N252-R256 PolarHBondContact OD1-NH1 3.16Å; R256-E259 WeakPolarHBondContact O-CB 3.41Å; R256-E259 PolarHBondContact O-N 2.98Å
257C98.7Very high97.9Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-56.1-60179.4169.60000112.2L185 Y188 L189 I192 E253 E259 A260L185-C257 WeakPolarHBondContact CD2-O 3.4Å; L185-C257 PolarHBondContact O-SG 2.88Å; Y188-C257 HydrophobicContact CD1-CB 4.46Å; L189-C257 HydrophobicContact CB-CB 4.32Å; L189-C257 HydrophobicContact CD1-CB 3.99Å; I192-C257 HydrophobicContact CD1-CB 4.04Å; E253-C257 VanDerWaalsContact O-CB 3.27Å; E253-C257 WeakPolarHBondContact O-CB 3.27Å; E253-C257 PolarHBondContact O-N 2.82Å; E253-C257 VanDerWaalsContact O-N 3.1Å; C257-E259 PolarHBondContact O-N 3.42Å; C257-A260 WeakPolarHBondContact O-CB 3.3Å; C257-A260 PolarHBondContact O-N 2.92Å
258P98.6Very high97.8Very high0 Ų024.2 Ų24.20%014%0.143CC..Hα-helixtrans-70.6-16.7-179.528.7-36.4000113.9C217 Y218 V219 R254 F255 A260 L261 Y306C217-P258 HydrophobicContact CB-CG 4.36Å; Y218-P258 WeakPolarHBondContact O-CG 3.41Å; V219-P258 HydrophobicContact CG2-CB 3.88Å; V219-P258 HydrophobicContact CG2-CG 4.34Å; R254-P258 WeakPolarHBondContact O-CD 3.45Å; F255-P258 WeakPolarHBondContact O-CD 3.48Å; P258-A260 PolarHBondContact O-N 2.91Å; P258-L261 WeakPolarHBondContact O-CB 3.32Å; P258-L261 PolarHBondContact O-N 3.17Å; P258-Y306 HydrophobicContact CB-CD1 4.34Å; P258-Y306 HydrophobicContact CB-CD2 3.8Å; P258-Y306 HydrophobicContact CB-CE1 4.26Å; P258-Y306 HydrophobicContact CB-CE2 3.68Å; P258-Y306 HydrophobicContact CB-CG 4.13Å
259E98.7Very high97.7Very high0 Ų026.7 Ų26.70%015%0.154CC..Hα-helixtrans-58-28171.8-171.662.4-157.400111.9F223 F255 R256 C257 L261 F262 Q263 F266 R312F223-E259 HydrophobicContact CB-CG 4.4Å; F223-E259 HydrophobicContact CD1-CG 4.36Å; F223-E259 HydrophobicContact CD2-CB 3.78Å; F223-E259 HydrophobicContact CD2-CG 3.43Å; F223-E259 VanDerWaalsContact CD2-CG 3.43Å; F223-E259 HydrophobicContact CE2-CB 3.79Å; F223-E259 HydrophobicContact CE2-CG 3.69Å; F223-E259 HydrophobicContact CG-CG 3.79Å; F223-E259 HydrophobicContact CZ-CG 4.26Å; F255-E259 WeakPolarHBondContact O-CB 3.39Å; F255-E259 PolarHBondContact O-N 2.92Å; R256-E259 WeakPolarHBondContact O-CB 3.41Å; R256-E259 PolarHBondContact O-N 2.98Å; C257-E259 PolarHBondContact O-N 3.42Å; E259-L261 PolarHBondContact O-N 3.02Å; E259-F262 CarbonylContact O-C 3.56Å; E259-F262 WeakPolarHBondContact O-CA 3.25Å; E259-F262 PolarHBondContact O-N 3.4Å; E259-Q263 HydrophobicContact CG-CG 4.48Å; E259-Q263 PolarHBondContact O-N 2.96Å; E259-F266 HydrophobicContact CB-CD2 4.37Å; E259-F266 HydrophobicContact CB-CE2 4.03Å; E259-F266 HydrophobicContact CG-CD2 4.31Å; E259-F266 HydrophobicContact CG-CE2 3.67Å; E259-F266 HydrophobicContact CG-CZ 4.39Å; E259-R312 IonicContact OE1-CZ 3.32Å; E259-R312 IonicContact OE1-NH1 3.1Å; E259-R312 PolarHBondContact OE1-NH1 3.46Å; E259-R312 IonicContact OE1-NH2 3.73Å; E259-R312 PolarHBondContact OE1-NH2 2.92Å; E259-R312 IonicContact OE2-CZ 3.57Å; E259-R312 IonicContact OE2-NH1 3.93Å; E259-R312 PolarHBondContact OE2-NH1 3.11Å; E259-R312 IonicContact OE2-NH2 3.03Å
260A98.4Very high97.6Very high0 Ų034.5 Ų34.50%019%0.188CC..THydrogen-bonded Turntrans-57.3-24.6175.500000113.3L180 L185 Y188 C257 P258 F262 Q263 P264 F266 L267L180-A260 VanDerWaalsContact CD2-O 3.24Å; L180-A260 WeakPolarHBondContact CD2-O 3.44Å; L185-A260 HydrophobicContact CD2-CB 3.85Å; Y188-A260 HydrophobicContact CD1-CB 4.01Å; Y188-A260 HydrophobicContact CE1-CB 4.08Å; C257-A260 WeakPolarHBondContact O-CB 3.3Å; C257-A260 PolarHBondContact O-N 2.92Å; P258-A260 PolarHBondContact O-N 2.91Å; A260-F262 VanDerWaalsContact C-N 3.28Å; A260-F262 PolarHBondContact O-N 3.34Å; A260-Q263 CarbonylContact O-C 3.5Å; A260-Q263 VanDerWaalsContact O-C 3.26Å; A260-P264 VanDerWaalsContact O-CA 3.29Å; A260-P264 WeakPolarHBondContact O-CA 3.4Å; A260-P264 VanDerWaalsContact O-N 3.11Å; A260-F266 HydrophobicContact CB-CB 4.33Å; A260-L267 HydrophobicContact CB-CD1 3.84Å; A260-L267 HydrophobicContact CB-CG 4.11Å
261L98.7Very high97.4Very high1 Ų136.7 Ų36.71%0.00520%0.203CC..THydrogen-bonded Turntrans-65.1-32.4171.6-67.7170.3000112.5L180 L185 P258 E259 G273 I274 T303 Y306 I309L180-L261 HydrophobicContact CD2-CD2 4.44Å; L180-L261 HydrophobicContact CG-CD2 4.22Å; L185-L261 HydrophobicContact CD1-CD1 3.96Å; L185-L261 HydrophobicContact CD1-CD2 4.02Å; L185-L261 HydrophobicContact CD1-CG 3.87Å; L185-L261 HydrophobicContact CD2-CG 4.36Å; P258-L261 WeakPolarHBondContact O-CB 3.32Å; P258-L261 PolarHBondContact O-N 3.17Å; E259-L261 PolarHBondContact O-N 3.02Å; L261-G273 CarbonylContact O-C 3.52Å; L261-G273 WeakPolarHBondContact O-CA 3.34Å; L261-I274 HydrophobicContact CB-CD1 3.88Å; L261-I274 HydrophobicContact CB-CG1 4.15Å; L261-I274 HydrophobicContact CB-CG2 4.26Å; L261-I274 HydrophobicContact CD1-CD1 4.41Å; L261-I274 HydrophobicContact CD2-CG2 4.3Å; L261-I274 WeakPolarHBondContact O-CG1 3.47Å; L261-I274 PolarHBondContact O-N 3.24Å; L261-T303 HydrophobicContact CD1-CG2 3.82Å; L261-T303 HydrophobicContact CD2-CG2 4.08Å; L261-Y306 HydrophobicContact CD1-CD2 4.21Å; L261-Y306 HydrophobicContact CD1-CE2 4.09Å; L261-I309 HydrophobicContact CD1-CD1 4.43Å
262F98.7Very high97.4Very high5 Ų538.9 Ų38.92%0.02222%0.218CC..THydrogen-bonded Turntrans-91.9-29.9178.4-64.1-95.2000111.4V219 E259 A260 G273 I274 H275 I309 R312 M313 E316V219-F262 HydrophobicContact CG1-CD2 4.39Å; V219-F262 HydrophobicContact CG1-CE2 3.61Å; V219-F262 HydrophobicContact CG1-CZ 4.04Å; V219-F262 HydrophobicContact CG2-CE2 4.04Å; E259-F262 CarbonylContact O-C 3.56Å; E259-F262 WeakPolarHBondContact O-CA 3.25Å; E259-F262 PolarHBondContact O-N 3.4Å; A260-F262 VanDerWaalsContact C-N 3.28Å; A260-F262 PolarHBondContact O-N 3.34Å; F262-G273 WeakPolarHBondContact O-CA 3.28Å; F262-I274 HydrophobicContact CD1-CG1 4.32Å; F262-I274 HydrophobicContact CD2-CD1 4.47Å; F262-I274 HydrophobicContact CE1-CD1 4.15Å; F262-I274 HydrophobicContact CE1-CG1 4.09Å; F262-I274 HydrophobicContact CE2-CD1 3.9Å; F262-I274 HydrophobicContact CE2-CG1 4.41Å; F262-I274 HydrophobicContact CZ-CD1 3.71Å; F262-I274 HydrophobicContact CZ-CG1 4.15Å; F262-H275 HydrophobicContact CD1-CB 4.29Å; F262-H275 AromaticContact CD1-CE1 3.99Å; F262-H275 AromaticContact CD1-CG 3.94Å; F262-H275 AromaticContact CD1-ND1 3.31Å; F262-H275 VanDerWaalsContact CD1-ND1 3.31Å; F262-H275 WeakPolarHBondContact CD1-ND1 3.29Å; F262-H275 HydrophobicContact CE1-CB 4.28Å; F262-H275 PolarHBondContact O-CE1 3.42Å; F262-I309 HydrophobicContact CE2-CG1 4.4Å; F262-I309 HydrophobicContact CZ-CG1 4.14Å; F262-R312 HydrophobicContact CD1-CG 3.89Å; F262-R312 HydrophobicContact CD2-CG 4.5Å; F262-R312 HydrophobicContact CE1-CB 4.17Å; F262-R312 HydrophobicContact CE1-CG 3.37Å; F262-R312 HydrophobicContact CE2-CG 4.02Å; F262-R312 HydrophobicContact CG-CG 4.46Å; F262-R312 HydrophobicContact CZ-CB 3.9Å; F262-R312 HydrophobicContact CZ-CG 3.44Å; F262-R312 VanDerWaalsContact CZ-CG 3.44Å; F262-M313 HydrophobicContact CE1-CG 4.31Å; F262-M313 HydrophobicContact CE1-SD 3.88Å; F262-M313 HydrophobicContact CZ-CG 4.23Å; F262-M313 HydrophobicContact CZ-SD 4.21Å; F262-E316 HydrophobicContact CD1-CG 4.33Å; F262-E316 HydrophobicContact CE1-CG 4.46Å
263Q97.9Very high97.4Very high68 Ų6837.1 Ų37.132%0.31821%0.209SC..  trans-129.477.7178.4-60.5-173.2-2.300111.2E259 A260 S265 F266E259-Q263 HydrophobicContact CG-CG 4.48Å; E259-Q263 PolarHBondContact O-N 2.96Å; A260-Q263 CarbonylContact O-C 3.5Å; A260-Q263 VanDerWaalsContact O-C 3.26Å; Q263-S265 PolarHBondContact O-N 2.78Å; Q263-F266 HydrophobicContact CB-CD1 4.38Å; Q263-F266 HydrophobicContact CB-CE1 4.4Å; Q263-F266 WeakPolarHBondContact O-CB 3.34Å; Q263-F266 PolarHBondContact O-N 2.71Å
264P98.3Very high97.4Very high3 Ų336.9 Ų36.92%0.01921%0.208CC..G310 helixtrans-58.6-17.3-179-27.236.7000114.6L180 A260 F266 L267 G268 M269 S271L180-P264 HydrophobicContact CD2-CB 4.07Å; L180-P264 HydrophobicContact CD2-CG 3.99Å; A260-P264 VanDerWaalsContact O-CA 3.29Å; A260-P264 WeakPolarHBondContact O-CA 3.4Å; A260-P264 VanDerWaalsContact O-N 3.11Å; P264-F266 PolarHBondContact O-N 2.85Å; P264-L267 WeakPolarHBondContact O-CA 3.47Å; P264-L267 WeakPolarHBondContact O-CB 3.5Å; P264-L267 PolarHBondContact O-N 3.43Å; P264-G268 PolarHBondContact O-N 3.02Å; P264-M269 CarbonylContact C-O 3.58Å; P264-M269 HydrophobicContact CB-CB 3.82Å; P264-M269 HydrophobicContact CB-SD 4.4Å; P264-M269 WeakPolarHBondContact O-CB 3.49Å; P264-M269 PolarHBondContact O-N 2.79Å; P264-M269 VanDerWaalsContact O-N 3.12Å; P264-S271 VanDerWaalsContact CB-OG 3.29Å; P264-S271 WeakPolarHBondContact CB-OG 3.31Å; P264-S271 WeakPolarHBondContact CG-O 3.25Å
265S97.1Very high97.4Very high80 Ų8036 Ų3656%0.55921%0.205SC*.G310 helixtrans-58.5-23.7172.560.70000113.4Q263 L267 G268 M269Q263-S265 PolarHBondContact O-N 2.78Å; S265-L267 PolarHBondContact O-N 2.85Å; S265-G268 PolarHBondContact O-N 2.79Å; S265-M269 PolarHBondContact N-O 2.79Å
266F94.6Very high97.4Very high62 Ų6239.4 Ų39.427%0.27222%0.221SC..G310 helixtrans-62.2-24.2172.1-75.56.1000112.9Y188 F223 E259 A260 Q263 P264Y188-F266 HydrophobicContact CE1-CB 4.46Å; F223-F266 HydrophobicContact CE1-CE2 4.14Å; F223-F266 AromaticContact CE1-CZ 3.85Å; F223-F266 HydrophobicContact CE1-CZ 3.85Å; F223-F266 HydrophobicContact CE2-CE2 4.25Å; F223-F266 AromaticContact CZ-CE2 3.72Å; F223-F266 HydrophobicContact CZ-CE2 3.72Å; F223-F266 AromaticContact CZ-CZ 3.89Å; F223-F266 HydrophobicContact CZ-CZ 3.89Å; E259-F266 HydrophobicContact CB-CD2 4.37Å; E259-F266 HydrophobicContact CB-CE2 4.03Å; E259-F266 HydrophobicContact CG-CD2 4.31Å; E259-F266 HydrophobicContact CG-CE2 3.67Å; E259-F266 HydrophobicContact CG-CZ 4.39Å; A260-F266 HydrophobicContact CB-CB 4.33Å; Q263-F266 HydrophobicContact CB-CD1 4.38Å; Q263-F266 HydrophobicContact CB-CE1 4.4Å; Q263-F266 WeakPolarHBondContact O-CB 3.34Å; Q263-F266 PolarHBondContact O-N 2.71Å; P264-F266 PolarHBondContact O-N 2.85Å
267L96Very high97.5Very high55 Ų5537.8 Ų37.829%0.28822%0.216SC..G310 helixtrans-96.93.1173.5-74.9169000112.9L180 D184 Y188 A260 P264 S265 M269L180-L267 HydrophobicContact CD1-CD1 3.24Å; L180-L267 HydrophobicContact CD2-CD1 4.29Å; L180-L267 HydrophobicContact CG-CD1 4.39Å; D184-L267 HydrophobicContact CB-CD1 4.48Å; Y188-L267 HydrophobicContact CD1-CD2 4.48Å; Y188-L267 HydrophobicContact CD2-CD2 3.76Å; Y188-L267 HydrophobicContact CG-CD2 3.68Å; Y188-L267 HydrophobicContact CG-CG 4.34Å; A260-L267 HydrophobicContact CB-CD1 3.84Å; A260-L267 HydrophobicContact CB-CG 4.11Å; P264-L267 WeakPolarHBondContact O-CA 3.47Å; P264-L267 WeakPolarHBondContact O-CB 3.5Å; P264-L267 PolarHBondContact O-N 3.43Å; S265-L267 PolarHBondContact O-N 2.85Å; L267-M269 VanDerWaalsContact C-N 3.29Å; L267-M269 HydrophobicContact CB-CG 4.04Å; L267-M269 HydrophobicContact CB-SD 4.19Å; L267-M269 HydrophobicContact CD1-SD 4.38Å
268G95.6Very high97.5Very high68 Ų6837.8 Ų37.870%0.70122%0.216SC*.THydrogen-bonded Turntrans74.218.6-173.100000113.6P264 S265P264-G268 PolarHBondContact O-N 3.02Å; S265-G268 PolarHBondContact O-N 2.79Å
269M95.4Very high97.4Very high53 Ų5340.4 Ų40.426%0.26123%0.226SC..  trans-91.3131.3178.8-59175.668.500111.1L178 D179 L180 P264 S265 L267 S271L178-M269 HydrophobicContact CD1-CE 4.33Å; D179-M269 WeakPolarHBondContact O-CE 3.34Å; L180-M269 HydrophobicContact CB-CE 4.01Å; L180-M269 HydrophobicContact CB-SD 4.06Å; L180-M269 HydrophobicContact CD1-SD 4.36Å; L180-M269 HydrophobicContact CD2-SD 4.34Å; L180-M269 HydrophobicContact CG-SD 4.48Å; P264-M269 CarbonylContact C-O 3.58Å; P264-M269 HydrophobicContact CB-CB 3.82Å; P264-M269 HydrophobicContact CB-SD 4.4Å; P264-M269 WeakPolarHBondContact O-CB 3.49Å; P264-M269 PolarHBondContact O-N 2.79Å; P264-M269 VanDerWaalsContact O-N 3.12Å; S265-M269 PolarHBondContact N-O 2.79Å; L267-M269 VanDerWaalsContact C-N 3.29Å; L267-M269 HydrophobicContact CB-CG 4.04Å; L267-M269 HydrophobicContact CB-SD 4.19Å; L267-M269 HydrophobicContact CD1-SD 4.38Å; M269-S271 VanDerWaalsContact C-N 3.3Å; M269-S271 PolarHBondContact O-N 3.11Å; M269-S271 VanDerWaalsContact O-N 3.15Å
270E94.5Very high97.4Very high206 Ų20643.2 Ų43.296%0.96324%0.241SC*.  trans-87.567.8172-64.3-175.8174.700110.3
271S95.2Very high97.5Very high45 Ų4543.2 Ų43.232%0.31524%0.241SC..SBendtrans-142.9154.5-178.856.70000111.5L178 P264 M269L178-S271 WeakPolarHBondContact CD1-OG 3.38Å; P264-S271 VanDerWaalsContact CB-OG 3.29Å; P264-S271 WeakPolarHBondContact CB-OG 3.31Å; P264-S271 WeakPolarHBondContact CG-O 3.25Å; M269-S271 VanDerWaalsContact C-N 3.3Å; M269-S271 PolarHBondContact O-N 3.11Å; M269-S271 VanDerWaalsContact O-N 3.15Å
272C97.5Very high97.4Very high48 Ų4843.1 Ų43.132%0.32424%0.241SC..  trans-67.7147.3174.3-70.90000111E276 T277C272-E276 HydrophobicContact CB-CB 3.78Å; C272-E276 WeakPolarHBondContact CB-OE2 3.44Å; C272-E276 PolarHBondContact SG-OE2 3.4Å; C272-T277 PolarHBondContact O-OG1 3.21Å
273G98.5Very high97.4Very high1 Ų145.1 Ų45.11%0.0125%0.251CS..  trans-63.5169.7169.900000113.3L261 F262 H275 E276 T277L261-G273 CarbonylContact O-C 3.52Å; L261-G273 WeakPolarHBondContact O-CA 3.34Å; F262-G273 WeakPolarHBondContact O-CA 3.28Å; G273-H275 VanDerWaalsContact C-N 3.26Å; G273-H275 PolarHBondContact O-N 3.09Å; G273-E276 PolarHBondContact O-N 2.74Å; G273-T277 VanDerWaalsContact O-CB 3.29Å; G273-T277 WeakPolarHBondContact O-CB 3.4Å; G273-T277 PolarHBondContact O-N 2.84Å; G273-T277 PolarHBondContact O-OG1 2.91Å
274I98.6Very high97.4Very high1 Ų147.3 Ų47.31%0.00526%0.259CS..Hα-helixtrans-60.1-33.1-178.155.1170.9000113.5M153 T160 L178 L261 F262 T278 I309 M313M153-I274 HydrophobicContact CE-CB 4.2Å; M153-I274 HydrophobicContact CE-CD1 3.49Å; M153-I274 VanDerWaalsContact CE-CD1 3.49Å; M153-I274 HydrophobicContact CE-CG1 4.32Å; T160-I274 HydrophobicContact CG2-CG2 3.99Å; L178-I274 HydrophobicContact CD2-CG2 4.13Å; L261-I274 HydrophobicContact CB-CD1 3.88Å; L261-I274 HydrophobicContact CB-CG1 4.15Å; L261-I274 HydrophobicContact CB-CG2 4.26Å; L261-I274 HydrophobicContact CD1-CD1 4.41Å; L261-I274 HydrophobicContact CD2-CG2 4.3Å; L261-I274 WeakPolarHBondContact O-CG1 3.47Å; L261-I274 PolarHBondContact O-N 3.24Å; F262-I274 HydrophobicContact CD1-CG1 4.32Å; F262-I274 HydrophobicContact CD2-CD1 4.47Å; F262-I274 HydrophobicContact CE1-CD1 4.15Å; F262-I274 HydrophobicContact CE1-CG1 4.09Å; F262-I274 HydrophobicContact CE2-CD1 3.9Å; F262-I274 HydrophobicContact CE2-CG1 4.41Å; F262-I274 HydrophobicContact CZ-CD1 3.71Å; F262-I274 HydrophobicContact CZ-CG1 4.15Å; I274-T278 WeakPolarHBondContact O-CB 3.44Å; I274-T278 PolarHBondContact O-N 3.41Å; I274-T278 PolarHBondContact O-OG1 2.96Å; I274-I309 HydrophobicContact CD1-CD1 4.08Å; I274-I309 HydrophobicContact CD1-CG1 4.44Å; I274-M313 HydrophobicContact CD1-SD 3.83Å; I274-M313 HydrophobicContact CG1-SD 3.82Å
275H98.6Very high97.4Very high13 Ų1347.2 Ų47.26%0.0626%0.259CS..Hα-helixtrans-70.4-49.3178.660.5-70.5000111.6F262 G273 T278 Y279 M313 E316 I317F262-H275 HydrophobicContact CD1-CB 4.29Å; F262-H275 AromaticContact CD1-CE1 3.99Å; F262-H275 AromaticContact CD1-CG 3.94Å; F262-H275 AromaticContact CD1-ND1 3.31Å; F262-H275 VanDerWaalsContact CD1-ND1 3.31Å; F262-H275 WeakPolarHBondContact CD1-ND1 3.29Å; F262-H275 HydrophobicContact CE1-CB 4.28Å; F262-H275 PolarHBondContact O-CE1 3.42Å; G273-H275 VanDerWaalsContact C-N 3.26Å; G273-H275 PolarHBondContact O-N 3.09Å; H275-T278 PolarHBondContact O-N 3.45Å; H275-Y279 WeakPolarHBondContact O-CB 3.28Å; H275-Y279 PolarHBondContact O-N 3.45Å; H275-M313 HydrophobicContact CB-SD 3.83Å; H275-E316 HydrophobicContact CB-CB 3.67Å; H275-E316 HydrophobicContact CB-CG 4.33Å; H275-I317 HydrophobicContact CB-CG1 4.49Å
276E98.4Very high97.4Very high72 Ų7249 Ų4934%0.33626%0.262SS..Hα-helixtrans-63.5-42173.6-80.7177.4-152.800111.8C272 G273 T278 Y279 N280 L320C272-E276 HydrophobicContact CB-CB 3.78Å; C272-E276 WeakPolarHBondContact CB-OE2 3.44Å; C272-E276 PolarHBondContact SG-OE2 3.4Å; G273-E276 PolarHBondContact O-N 2.74Å; E276-T278 VanDerWaalsContact C-N 3.32Å; E276-T278 PolarHBondContact O-N 3.2Å; E276-Y279 WeakPolarHBondContact O-CB 3.39Å; E276-Y279 PolarHBondContact O-N 3.42Å; E276-N280 VanDerWaalsContact O-CB 3.29Å; E276-N280 WeakPolarHBondContact O-CB 3.41Å; E276-N280 PolarHBondContact O-N 2.97Å; E276-N280 PolarHBondContact O-ND2 3.31Å; E276-L320 HydrophobicContact CG-CD1 3.9Å
277T98.6Very high97.5Very high13 Ų1350.6 Ų50.68%0.0828%0.277CS..Hα-helixtrans-60.8-43.5176.3-60.30000110.6T162 L176 C272 G273 N280 S281T162-T277 HydrophobicContact CG2-CG2 3.9Å; L176-T277 HydrophobicContact CB-CG2 3.73Å; L176-T277 HydrophobicContact CD1-CG2 3.99Å; L176-T277 WeakPolarHBondContact CD1-O 3.32Å; C272-T277 PolarHBondContact O-OG1 3.21Å; G273-T277 VanDerWaalsContact O-CB 3.29Å; G273-T277 WeakPolarHBondContact O-CB 3.4Å; G273-T277 PolarHBondContact O-N 2.84Å; G273-T277 PolarHBondContact O-OG1 2.91Å; T277-N280 PolarHBondContact O-N 3.14Å; T277-S281 WeakPolarHBondContact O-CB 3.36Å; T277-S281 PolarHBondContact O-N 2.91Å
278T98.8Very high97.5Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-62.7-46.3175.1-570000111.2I151 T162 I274 H275 E276 N280 S281 I282 T297 I317I151-T278 HydrophobicContact CD1-CG2 4.01Å; I151-T278 HydrophobicContact CG2-CG2 4.28Å; T162-T278 WeakPolarHBondContact CG2-OG1 3.37Å; I274-T278 WeakPolarHBondContact O-CB 3.44Å; I274-T278 PolarHBondContact O-N 3.41Å; I274-T278 PolarHBondContact O-OG1 2.96Å; H275-T278 PolarHBondContact O-N 3.45Å; E276-T278 VanDerWaalsContact C-N 3.32Å; E276-T278 PolarHBondContact O-N 3.2Å; T278-N280 PolarHBondContact O-N 3.14Å; T278-S281 WeakPolarHBondContact O-CB 3.29Å; T278-S281 PolarHBondContact O-N 3.21Å; T278-I282 HydrophobicContact CG2-CD1 4.47Å; T278-I282 WeakPolarHBondContact O-CG1 3.46Å; T278-I282 PolarHBondContact O-N 3.32Å; T278-I282 VanDerWaalsContact O-N 3.13Å; T278-T297 HydrophobicContact CG2-CG2 4.04Å; T278-I317 HydrophobicContact CG2-CD1 4.03Å
279Y98.5Very high97.5Very high55 Ų5552.7 Ų52.722%0.21627%0.272CS..Hα-helixtrans-58.3-47175.4166.6-93.7000112.2H275 E276 S281 I282 M283 Y294 L320H275-Y279 WeakPolarHBondContact O-CB 3.28Å; H275-Y279 PolarHBondContact O-N 3.45Å; E276-Y279 WeakPolarHBondContact O-CB 3.39Å; E276-Y279 PolarHBondContact O-N 3.42Å; Y279-S281 VanDerWaalsContact C-N 3.31Å; Y279-S281 PolarHBondContact O-N 3.37Å; Y279-I282 PolarHBondContact O-N 3.09Å; Y279-M283 HydrophobicContact CD1-CG 4.21Å; Y279-M283 HydrophobicContact CD2-CE 4.5Å; Y279-M283 HydrophobicContact CD2-CG 4.35Å; Y279-M283 HydrophobicContact CE1-CG 3.68Å; Y279-M283 HydrophobicContact CE2-CE 3.76Å; Y279-M283 HydrophobicContact CE2-CG 3.82Å; Y279-M283 HydrophobicContact CE2-SD 4.33Å; Y279-M283 VanDerWaalsContact CZ-CG 3.45Å; Y279-M283 WeakPolarHBondContact O-CG 3.45Å; Y279-M283 PolarHBondContact O-N 3.07Å; Y279-Y294 HydrophobicContact CD2-CE1 4.49Å; Y279-Y294 WeakPolarHBondContact CD2-OH 3.29Å; Y279-Y294 WeakPolarHBondContact CE2-OH 3.41Å; Y279-L320 HydrophobicContact CD2-CB 3.68Å; Y279-L320 HydrophobicContact CE2-CB 4.07Å; Y279-L320 VanDerWaalsContact CE2-O 3.3Å; Y279-L320 WeakPolarHBondContact CE2-O 3.49Å; Y279-L320 HydrophobicContact CG-CB 3.97Å; Y279-L320 HydrophobicContact CG-CD1 4.15Å
280N98.5Very high97.6Very high58 Ų5852.6 Ų52.631%0.3127%0.269SS..Hα-helixtrans-63.4-37.5-179.6-73.4-27.4000111.7L176 E276 T277 T278 M283 K284L176-N280 HydrophobicContact CD1-CB 3.78Å; E276-N280 VanDerWaalsContact O-CB 3.29Å; E276-N280 WeakPolarHBondContact O-CB 3.41Å; E276-N280 PolarHBondContact O-N 2.97Å; E276-N280 PolarHBondContact O-ND2 3.31Å; T277-N280 PolarHBondContact O-N 3.14Å; T278-N280 PolarHBondContact O-N 3.14Å; N280-M283 PolarHBondContact O-N 3.4Å; N280-K284 WeakPolarHBondContact O-CG 3.38Å; N280-K284 PolarHBondContact O-N 2.99Å
281S98.7Very high97.8Very high0 Ų049.4 Ų49.40%025%0.252CS..Hα-helixtrans-62.5-44.3173.9179.50000111.6I151 T162 P164 A174 T277 T278 Y279 M283 K284 C285I151-S281 WeakPolarHBondContact CD1-OG 3.32Å; T162-S281 VanDerWaalsContact OG1-CB 3.29Å; T162-S281 WeakPolarHBondContact OG1-CB 3.39Å; P164-S281 WeakPolarHBondContact CD-OG 3.28Å; P164-S281 WeakPolarHBondContact CG-OG 3.42Å; A174-S281 WeakPolarHBondContact O-CB 3.5Å; A174-S281 PolarHBondContact O-OG 2.69Å; T277-S281 WeakPolarHBondContact O-CB 3.36Å; T277-S281 PolarHBondContact O-N 2.91Å; T278-S281 WeakPolarHBondContact O-CB 3.29Å; T278-S281 PolarHBondContact O-N 3.21Å; Y279-S281 VanDerWaalsContact C-N 3.31Å; Y279-S281 PolarHBondContact O-N 3.37Å; S281-M283 VanDerWaalsContact C-N 3.34Å; S281-M283 PolarHBondContact O-N 3.24Å; S281-K284 PolarHBondContact O-N 2.97Å; S281-C285 PolarHBondContact O-SG 3.33Å
282I98.5Very high97.9Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-63.7-39.7173.8-61.6170.1000111I151 T278 Y279 K284 C285 R290 L293 Y294I151-I282 HydrophobicContact CD1-CD1 4.43Å; I151-I282 HydrophobicContact CD1-CG1 3.7Å; I151-I282 HydrophobicContact CG2-CD1 4.04Å; I151-I282 HydrophobicContact CG2-CG1 4.22Å; T278-I282 HydrophobicContact CG2-CD1 4.47Å; T278-I282 WeakPolarHBondContact O-CG1 3.46Å; T278-I282 PolarHBondContact O-N 3.32Å; T278-I282 VanDerWaalsContact O-N 3.13Å; Y279-I282 PolarHBondContact O-N 3.09Å; I282-K284 PolarHBondContact O-N 3.38Å; I282-C285 VanDerWaalsContact O-CB 3.28Å; I282-C285 WeakPolarHBondContact O-CB 3.44Å; I282-C285 PolarHBondContact O-N 2.92Å; I282-R290 HydrophobicContact CG2-CB 3.89Å; I282-R290 HydrophobicContact CG2-CG 3.87Å; I282-R290 PolarHBondContact O-NE 3.11Å; I282-L293 HydrophobicContact CD1-CB 4.39Å; I282-L293 HydrophobicContact CG1-CB 4.09Å; I282-L293 HydrophobicContact CG1-CD1 4.43Å; I282-L293 HydrophobicContact CG2-CB 4.23Å; I282-L293 HydrophobicContact CG2-CD1 4.28Å; I282-Y294 HydrophobicContact CB-CE1 4.39Å; I282-Y294 HydrophobicContact CD1-CD1 3.41Å; I282-Y294 VanDerWaalsContact CD1-CD1 3.41Å; I282-Y294 HydrophobicContact CD1-CE1 3.4Å; I282-Y294 VanDerWaalsContact CD1-CE1 3.4Å; I282-Y294 HydrophobicContact CD1-CG 4.13Å; I282-Y294 HydrophobicContact CG1-CE1 4.5Å; I282-Y294 HydrophobicContact CG2-CD1 4.45Å; I282-Y294 HydrophobicContact CG2-CD2 4.11Å; I282-Y294 HydrophobicContact CG2-CE1 4.09Å; I282-Y294 HydrophobicContact CG2-CE2 3.7Å; I282-Y294 HydrophobicContact CG2-CG 4.46Å
283M97.9Very high97.9Very high47 Ų4748.2 Ų48.223%0.23224%0.239CC..Hα-helixtrans-68.1-21.4178.8-75.9-64.3132.200114Y279 N280 S281 C285 R290 Y294Y279-M283 HydrophobicContact CD1-CG 4.21Å; Y279-M283 HydrophobicContact CD2-CE 4.5Å; Y279-M283 HydrophobicContact CD2-CG 4.35Å; Y279-M283 HydrophobicContact CE1-CG 3.68Å; Y279-M283 HydrophobicContact CE2-CE 3.76Å; Y279-M283 HydrophobicContact CE2-CG 3.82Å; Y279-M283 HydrophobicContact CE2-SD 4.33Å; Y279-M283 VanDerWaalsContact CZ-CG 3.45Å; Y279-M283 WeakPolarHBondContact O-CG 3.45Å; Y279-M283 PolarHBondContact O-N 3.07Å; N280-M283 PolarHBondContact O-N 3.4Å; S281-M283 VanDerWaalsContact C-N 3.34Å; S281-M283 PolarHBondContact O-N 3.24Å; M283-C285 VanDerWaalsContact C-N 3.3Å; M283-R290 PolarHBondContact O-NH2 2.96Å; M283-R290 PolarHBondContact SD-NH1 2.63Å; M283-Y294 HydrophobicContact CE-CE2 4.12Å; M283-Y294 WeakPolarHBondContact CE-OH 3.49Å
284K98.4Very high97.9Very high113 Ų11348.2 Ų48.249%0.49124%0.238SC..THydrogen-bonded Turntrans-77.8-14.8170.9-74.2-177.8175-1630113.4A174 L176 N280 S281 I282A174-K284 HydrophobicContact CB-CB 3.72Å; L176-K284 HydrophobicContact CD2-CD 4.05Å; L176-K284 VanDerWaalsContact CD2-NZ 3.32Å; N280-K284 WeakPolarHBondContact O-CG 3.38Å; N280-K284 PolarHBondContact O-N 2.99Å; S281-K284 PolarHBondContact O-N 2.97Å; I282-K284 PolarHBondContact O-N 3.38Å
285C98.1Very high97.9Very high2 Ų249.4 Ų49.41%0.01425%0.248CC..SBendtrans-84.7160178.1-59.90000111.8P164 A174 S281 I282 M283 I289 R290 L293P164-C285 VanDerWaalsContact CB-SG 3.59Å; A174-C285 VanDerWaalsContact CB-SG 3.55Å; S281-C285 PolarHBondContact O-SG 3.33Å; I282-C285 VanDerWaalsContact O-CB 3.28Å; I282-C285 WeakPolarHBondContact O-CB 3.44Å; I282-C285 PolarHBondContact O-N 2.92Å; M283-C285 VanDerWaalsContact C-N 3.3Å; C285-I289 HydrophobicContact CB-CD1 3.95Å; C285-I289 HydrophobicContact CB-CG1 4.08Å; C285-R290 VanDerWaalsContact O-CZ 3.3Å; C285-R290 PolarHBondContact O-NE 3.28Å; C285-R290 PolarHBondContact O-NH2 3.4Å; C285-L293 HydrophobicContact CB-CD1 3.76Å; C285-L293 VanDerWaalsContact SG-CD1 3.57Å
286D96.7Very high97.9Very high117 Ų11750.5 Ų50.563%0.62625%0.254SS*.  trans-59.5142.9174.9-68.5-38.8000111.9D288 I289 R290D286-D288 PolarHBondContact O-N 3.36Å; D286-D288 VanDerWaalsContact O-N 3.16Å; D286-I289 VanDerWaalsContact O-CG1 3.3Å; D286-I289 WeakPolarHBondContact O-CG1 3.44Å; D286-I289 PolarHBondContact O-N 3.47Å; D286-R290 WeakPolarHBondContact O-CG 3.44Å; D286-R290 PolarHBondContact O-N 2.8Å
287V95.9Very high97.9Very high96 Ų9647 Ų4758%0.58224%0.238SC*.Hα-helixtrans-55.4-37.3-174.21740000112I289 R290V287-I289 VanDerWaalsContact C-N 3.27Å; V287-I289 PolarHBondContact O-N 2.81Å; V287-R290 PolarHBondContact O-N 2.88Å
288D95.9Very high97.9Very high146 Ų14646.4 Ų46.478%0.78124%0.235SC*.Hα-helixtrans-64.8-29-174.2-63.1-23000113D286D286-D288 PolarHBondContact O-N 3.36Å; D286-D288 VanDerWaalsContact O-N 3.16Å
289I96.9Very high97.9Very high20 Ų2046.4 Ų46.410%0.10324%0.235CC..Hα-helixtrans-97.3-14.1-177.867.9166.1000113.3Y166 L171 C285 D286 V287 K291 D292 L293Y166-I289 HydrophobicContact CD2-CB 4.04Å; Y166-I289 HydrophobicContact CD2-CD1 4.34Å; Y166-I289 HydrophobicContact CD2-CG2 3.56Å; Y166-I289 HydrophobicContact CE2-CB 4.29Å; Y166-I289 HydrophobicContact CE2-CG2 3.47Å; Y166-I289 VanDerWaalsContact CE2-CG2 3.47Å; Y166-I289 HydrophobicContact CG-CG2 4.37Å; L171-I289 HydrophobicContact CD1-CD1 3.49Å; L171-I289 VanDerWaalsContact CD1-CD1 3.49Å; C285-I289 HydrophobicContact CB-CD1 3.95Å; C285-I289 HydrophobicContact CB-CG1 4.08Å; D286-I289 VanDerWaalsContact O-CG1 3.3Å; D286-I289 WeakPolarHBondContact O-CG1 3.44Å; D286-I289 PolarHBondContact O-N 3.47Å; V287-I289 VanDerWaalsContact C-N 3.27Å; V287-I289 PolarHBondContact O-N 2.81Å; I289-K291 PolarHBondContact O-N 3.16Å; I289-D292 PolarHBondContact O-N 2.94Å; I289-L293 HydrophobicContact CD1-CD1 4.15Å; I289-L293 HydrophobicContact CG1-CD1 4.22Å; I289-L293 WeakPolarHBondContact O-CG 3.48Å; I289-L293 PolarHBondContact O-N 3.33Å; I289-L293 VanDerWaalsContact O-N 3.08Å
290R98Very high97.9Very high51 Ų5143.8 Ų43.819%0.19222%0.224CC..Hα-helixtrans-57.8-36.8-175.2-64.7-175.9-170.71781.1112.9I282 M283 C285 D286 V287 D292 L293 Y294I282-R290 HydrophobicContact CG2-CB 3.89Å; I282-R290 HydrophobicContact CG2-CG 3.87Å; I282-R290 PolarHBondContact O-NE 3.11Å; M283-R290 PolarHBondContact O-NH2 2.96Å; M283-R290 PolarHBondContact SD-NH1 2.63Å; C285-R290 VanDerWaalsContact O-CZ 3.3Å; C285-R290 PolarHBondContact O-NE 3.28Å; C285-R290 PolarHBondContact O-NH2 3.4Å; D286-R290 WeakPolarHBondContact O-CG 3.44Å; D286-R290 PolarHBondContact O-N 2.8Å; V287-R290 PolarHBondContact O-N 2.88Å; R290-D292 VanDerWaalsContact C-N 3.29Å; R290-D292 PolarHBondContact O-N 3.46Å; R290-L293 PolarHBondContact O-N 3.47Å; R290-Y294 HydrophobicContact CB-CD2 4.36Å; R290-Y294 HydrophobicContact CB-CE2 4.31Å; R290-Y294 WeakPolarHBondContact O-CB 3.35Å; R290-Y294 WeakPolarHBondContact O-CD2 3.05Å; R290-Y294 PolarHBondContact O-N 3.18Å
291K97.5Very high97.9Very high140 Ų14041.5 Ų41.561%0.60921%0.214SC*.Hα-helixtrans-57.3-44.5176.9-180-174172.3-170.10111.2I289 A295 M325I289-K291 PolarHBondContact O-N 3.16Å; K291-A295 WeakPolarHBondContact O-CB 3.3Å; K291-A295 PolarHBondContact O-N 3.13Å; K291-M325 HydrophobicContact CB-SD 4.1Å; K291-M325 HydrophobicContact CG-SD 4.49Å
292D97.6Very high97.8Very high68 Ų6843.6 Ų43.636%0.36424%0.236SC..Hα-helixtrans-73.5-35.6-179.2-63.5-36.8000111.7T149 I289 R290 A295 N296T149-D292 HydrophobicContact CG2-CB 3.88Å; I289-D292 PolarHBondContact O-N 2.94Å; R290-D292 VanDerWaalsContact C-N 3.29Å; R290-D292 PolarHBondContact O-N 3.46Å; D292-A295 PolarHBondContact O-N 3.04Å; D292-N296 WeakPolarHBondContact O-CB 3.43Å; D292-N296 PolarHBondContact O-N 3Å; D292-N296 VanDerWaalsContact O-N 3.13Å; D292-N296 PolarHBondContact O-ND2 3.5Å
293L98.3Very high97.8Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-63.1-46.9173.8-59.9-179.4000111.6G150 P164 I282 C285 I289 R290 A295 N296 T297G150-L293 VanDerWaalsContact C-CD2 3.45Å; G150-L293 VanDerWaalsContact O-CD2 3.29Å; G150-L293 WeakPolarHBondContact O-CD2 3.5Å; P164-L293 HydrophobicContact CB-CD1 4.05Å; P164-L293 HydrophobicContact CB-CD2 4.28Å; I282-L293 HydrophobicContact CD1-CB 4.39Å; I282-L293 HydrophobicContact CG1-CB 4.09Å; I282-L293 HydrophobicContact CG1-CD1 4.43Å; I282-L293 HydrophobicContact CG2-CB 4.23Å; I282-L293 HydrophobicContact CG2-CD1 4.28Å; C285-L293 HydrophobicContact CB-CD1 3.76Å; C285-L293 VanDerWaalsContact SG-CD1 3.57Å; I289-L293 HydrophobicContact CD1-CD1 4.15Å; I289-L293 HydrophobicContact CG1-CD1 4.22Å; I289-L293 WeakPolarHBondContact O-CG 3.48Å; I289-L293 PolarHBondContact O-N 3.33Å; I289-L293 VanDerWaalsContact O-N 3.08Å; R290-L293 PolarHBondContact O-N 3.47Å; L293-A295 VanDerWaalsContact C-N 3.34Å; L293-A295 PolarHBondContact O-N 3.04Å; L293-N296 CarbonylContact O-C 3.59Å; L293-N296 VanDerWaalsContact O-C 3.26Å; L293-N296 PolarHBondContact O-N 3.3Å; L293-N296 VanDerWaalsContact O-N 3.16Å; L293-T297 PolarHBondContact O-N 3.33Å; L293-T297 PolarHBondContact O-OG1 3.01Å
294Y98.3Very high97.8Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-63.4-37.5176.4-80.8-51.8000113.3Y279 I282 M283 R290 N296 I317 A321 M325 K326 I327 K328Y279-Y294 HydrophobicContact CD2-CE1 4.49Å; Y279-Y294 WeakPolarHBondContact CD2-OH 3.29Å; Y279-Y294 WeakPolarHBondContact CE2-OH 3.41Å; I282-Y294 HydrophobicContact CB-CE1 4.39Å; I282-Y294 HydrophobicContact CD1-CD1 3.41Å; I282-Y294 VanDerWaalsContact CD1-CD1 3.41Å; I282-Y294 HydrophobicContact CD1-CE1 3.4Å; I282-Y294 VanDerWaalsContact CD1-CE1 3.4Å; I282-Y294 HydrophobicContact CD1-CG 4.13Å; I282-Y294 HydrophobicContact CG1-CE1 4.5Å; I282-Y294 HydrophobicContact CG2-CD1 4.45Å; I282-Y294 HydrophobicContact CG2-CD2 4.11Å; I282-Y294 HydrophobicContact CG2-CE1 4.09Å; I282-Y294 HydrophobicContact CG2-CE2 3.7Å; I282-Y294 HydrophobicContact CG2-CG 4.46Å; M283-Y294 HydrophobicContact CE-CE2 4.12Å; M283-Y294 WeakPolarHBondContact CE-OH 3.49Å; R290-Y294 HydrophobicContact CB-CD2 4.36Å; R290-Y294 HydrophobicContact CB-CE2 4.31Å; R290-Y294 WeakPolarHBondContact O-CB 3.35Å; R290-Y294 WeakPolarHBondContact O-CD2 3.05Å; R290-Y294 PolarHBondContact O-N 3.18Å; Y294-N296 PolarHBondContact O-N 3.08Å; Y294-I317 HydrophobicContact CD1-CG2 3.96Å; Y294-I317 HydrophobicContact CE1-CG2 3.87Å; Y294-A321 HydrophobicContact CD1-CB 4.29Å; Y294-A321 HydrophobicContact CE1-CB 3.72Å; Y294-A321 HydrophobicContact CE2-CB 4.24Å; Y294-M325 HydrophobicContact CD2-CB 3.92Å; Y294-M325 HydrophobicContact CD2-CG 3.72Å; Y294-M325 HydrophobicContact CD2-SD 4.03Å; Y294-M325 HydrophobicContact CE2-CB 4.42Å; Y294-M325 HydrophobicContact CE2-CG 3.97Å; Y294-M325 HydrophobicContact CG-CB 4.38Å; Y294-K326 CarbonylContact C-O 3.55Å; Y294-I327 HydrophobicContact CD1-CD1 3.39Å; Y294-I327 HydrophobicContact CD2-CD1 4.33Å; Y294-I327 HydrophobicContact CE1-CD1 4.11Å; Y294-I327 HydrophobicContact CG-CD1 3.53Å; Y294-K328 PolarHBondContact O-N 2.91Å
295A97.8Very high97.8Very high27 Ų2739.4 Ų39.422%0.22322%0.219CC..Hα-helixtrans-75.9-8.8177.600000113.5K291 D292 L293 K328K291-A295 WeakPolarHBondContact O-CB 3.3Å; K291-A295 PolarHBondContact O-N 3.13Å; D292-A295 PolarHBondContact O-N 3.04Å; L293-A295 VanDerWaalsContact C-N 3.34Å; L293-A295 PolarHBondContact O-N 3.04Å; A295-K328 WeakPolarHBondContact O-CB 3.34Å
296N98.1Very high97.8Very high35 Ų3540 Ų4019%0.18722%0.221CC..THydrogen-bonded Turntrans-139.355.6-176.7-62-66.7000111.8R147 G150 I151 D292 L293 Y294 V298 I330R147-N296 WeakPolarHBondContact CD-OD1 3.18Å; R147-N296 PolarHBondContact NE-OD1 3.05Å; G150-N296 VanDerWaalsContact CA-O 3.32Å; G150-N296 WeakPolarHBondContact CA-O 3.28Å; I151-N296 PolarHBondContact N-O 3.41Å; D292-N296 WeakPolarHBondContact O-CB 3.43Å; D292-N296 PolarHBondContact O-N 3Å; D292-N296 VanDerWaalsContact O-N 3.13Å; D292-N296 PolarHBondContact O-ND2 3.5Å; L293-N296 CarbonylContact O-C 3.59Å; L293-N296 VanDerWaalsContact O-C 3.26Å; L293-N296 PolarHBondContact O-N 3.3Å; L293-N296 VanDerWaalsContact O-N 3.16Å; Y294-N296 PolarHBondContact O-N 3.08Å; N296-V298 PolarHBondContact O-N 3.16Å; N296-I330 HydrophobicContact CB-CD1 4.39Å
297T98.7Very high97.9Very high0 Ų038.6 Ų38.60%022%0.218CC..EExtended strand (participates in β ladder)trans-85.1106.9171.6-59.70000109.7I151 T278 L293 I317 K328 I329 I330I151-T297 HydrophobicContact CG2-CG2 4.09Å; I151-T297 WeakPolarHBondContact CG2-OG1 3.42Å; I151-T297 CarbonylContact O-C 3.49Å; I151-T297 WeakPolarHBondContact O-CA 3.38Å; T278-T297 HydrophobicContact CG2-CG2 4.04Å; L293-T297 PolarHBondContact O-N 3.33Å; L293-T297 PolarHBondContact O-OG1 3.01Å; T297-I317 HydrophobicContact CG2-CD1 4.32Å; T297-K328 PolarHBondContact N-O 3.16Å; T297-I329 HydrophobicContact CG2-CD1 3.69Å; T297-I329 CarbonylContact O-C 3.6Å; T297-I329 WeakPolarHBondContact O-CA 3.25Å; T297-I330 PolarHBondContact O-N 3.01Å
298V98.8Very high98.1Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-99.8129.8-176.6-178.50000110.3L142 I151 V152 M153 N296 I330L142-V298 HydrophobicContact CD1-CB 4.49Å; L142-V298 HydrophobicContact CD1-CG2 3.73Å; I151-V298 PolarHBondContact O-N 3.18Å; V152-V298 CarbonylContact C-O 3.54Å; V152-V298 WeakPolarHBondContact CA-O 3.26Å; V152-V298 HydrophobicContact CG2-CB 4.24Å; M153-V298 PolarHBondContact N-O 2.82Å; N296-V298 PolarHBondContact O-N 3.16Å; V298-I330 CarbonylContact C-O 3.55Å; V298-I330 WeakPolarHBondContact CA-O 3.18Å; V298-I330 HydrophobicContact CG2-CB 4.12Å; V298-I330 HydrophobicContact CG2-CD1 3.92Å; V298-I330 HydrophobicContact CG2-CG2 4.37Å
299L98.8Very high98.2Very high0 Ų028.4 Ų28.40%017%0.166CC..EExtended strand (participates in β ladder)trans-91.7131.8173.3-54.6-165.8000110.1M153 T304 I309 A310 M313 I329 I330 A331 R335M153-L299 HydrophobicContact CB-CD2 4.04Å; M153-L299 HydrophobicContact CE-CD2 3.98Å; L299-T304 HydrophobicContact CB-CG2 4.34Å; L299-I309 HydrophobicContact CD1-CG2 3.99Å; L299-A310 HydrophobicContact CD1-CB 4.28Å; L299-M313 HydrophobicContact CD2-CE 4.49Å; L299-I329 HydrophobicContact CD1-CG2 3.84Å; L299-I329 HydrophobicContact CD2-CG2 4.11Å; L299-I329 HydrophobicContact CG-CG2 3.75Å; L299-I330 PolarHBondContact N-O 3.5Å; L299-A331 HydrophobicContact CB-CB 4.35Å; L299-A331 HydrophobicContact CD1-CB 4.22Å; L299-A331 HydrophobicContact CG-CB 4.42Å; L299-R335 WeakPolarHBondContact O-CB 3.34Å
300S98.5Very high98.3Very high0 Ų028.6 Ų28.60%017%0.171CC..EExtended strand (participates in β ladder)trans-137155179.7177.70000111.8S141 M153 D154 S155 T304S141-S300 WeakPolarHBondContact CB-OG 3.34Å; S141-S300 PolarHBondContact OG-OG 3.36Å; M153-S300 PolarHBondContact O-N 2.99Å; D154-S300 WeakPolarHBondContact CA-O 3.3Å; D154-S300 WeakPolarHBondContact OD2-CB 3.12Å; D154-S300 PolarHBondContact OD2-OG 3.39Å; S155-S300 PolarHBondContact N-O 3.22Å; S300-T304 WeakPolarHBondContact O-CG2 3.23Å; S300-T304 PolarHBondContact O-OG1 2.93Å
301G97.7Very high98.3Very high9 Ų931.2 Ų31.29%0.09319%0.189CC..SBendtrans91.2158.5174.100000113.9S155 T303 T304 R335S155-G301 CarbonylContact O-C 3.52Å; S155-G301 WeakPolarHBondContact O-CA 3.42Å; G301-T303 VanDerWaalsContact C-N 3.33Å; G301-T303 PolarHBondContact O-N 3.38Å; G301-T304 PolarHBondContact O-N 3.2Å; G301-T304 VanDerWaalsContact O-N 3.13Å; G301-T304 PolarHBondContact O-OG1 3.3Å; G301-R335 PolarHBondContact N-O 3.46Å; G301-R335 VanDerWaalsContact N-O 3.12Å
302G97.3Very high98.4Very high44 Ų4425 Ų2545%0.45416%0.162SC..G310 helixtrans-62.9-33.1-170.100000114.5S155 T304 M305S155-G302 PolarHBondContact O-N 2.82Å; G302-T304 PolarHBondContact O-N 3.11Å; G302-M305 WeakPolarHBondContact O-CB 3.49Å; G302-M305 VanDerWaalsContact O-CG 3.23Å; G302-M305 WeakPolarHBondContact O-CG 3.42Å; G302-M305 PolarHBondContact O-N 3.27Å
303T98.4Very high98.4Very high8 Ų821.8 Ų21.85%0.04915%0.145CC..G310 helixtrans-72.1-20.1179.5-65.30000111.9S155 G156 G182 L185 L261 G301 M305 Y306S155-T303 WeakPolarHBondContact O-CB 3.5Å; S155-T303 PolarHBondContact O-N 3.02Å; S155-T303 VanDerWaalsContact OG-CB 3.29Å; S155-T303 WeakPolarHBondContact OG-CB 3.47Å; S155-T303 WeakPolarHBondContact OG-CG2 3.28Å; G156-T303 WeakPolarHBondContact O-CB 3.29Å; G156-T303 PolarHBondContact O-OG1 2.79Å; G182-T303 VanDerWaalsContact CA-OG1 3.27Å; G182-T303 WeakPolarHBondContact CA-OG1 3.39Å; G182-T303 PolarHBondContact N-OG1 2.75Å; G182-T303 VanDerWaalsContact N-OG1 3.15Å; L185-T303 HydrophobicContact CD1-CG2 3.79Å; L261-T303 HydrophobicContact CD1-CG2 3.82Å; L261-T303 HydrophobicContact CD2-CG2 4.08Å; G301-T303 VanDerWaalsContact C-N 3.33Å; G301-T303 PolarHBondContact O-N 3.38Å; T303-M305 PolarHBondContact O-N 3.37Å; T303-Y306 HydrophobicContact CG2-CE2 4.14Å; T303-Y306 WeakPolarHBondContact O-CD2 3.29Å
304T98.6Very high98.4Very high0 Ų024.6 Ų24.60%016%0.158CC..G310 helixtrans-79.84.1171.575.70000113.4M153 L299 S300 G301 G302 Y306 I309 R335M153-T304 HydrophobicContact CE-CG2 3.9Å; M153-T304 HydrophobicContact SD-CG2 3.95Å; L299-T304 HydrophobicContact CB-CG2 4.34Å; S300-T304 WeakPolarHBondContact O-CG2 3.23Å; S300-T304 PolarHBondContact O-OG1 2.93Å; G301-T304 PolarHBondContact O-N 3.2Å; G301-T304 VanDerWaalsContact O-N 3.13Å; G301-T304 PolarHBondContact O-OG1 3.3Å; G302-T304 PolarHBondContact O-N 3.11Å; T304-Y306 VanDerWaalsContact C-N 3.27Å; T304-Y306 PolarHBondContact O-N 2.82Å; T304-I309 VanDerWaalsContact O-CG2 3.28Å; T304-I309 WeakPolarHBondContact O-CG2 3.37Å; T304-R335 VanDerWaalsContact O-CZ 3.26Å; T304-R335 PolarHBondContact O-NE 3.43Å; T304-R335 PolarHBondContact O-NH2 3.2Å; T304-R335 WeakPolarHBondContact OG1-CD 3.48Å; T304-R335 PolarHBondContact OG1-NE 3.44Å
305M98.4Very high98.5Very high65 Ų6528.3 Ų28.332%0.3217%0.174SC..G310 helixtrans-78.3-7.2179-65.3-62.4-62.200113.9G302 T303 P333 R335 K336G302-M305 WeakPolarHBondContact O-CB 3.49Å; G302-M305 VanDerWaalsContact O-CG 3.23Å; G302-M305 WeakPolarHBondContact O-CG 3.42Å; G302-M305 PolarHBondContact O-N 3.27Å; T303-M305 PolarHBondContact O-N 3.37Å; M305-P333 WeakPolarHBondContact CE-O 3.37Å; M305-R335 HydrophobicContact SD-CG 3.51Å; M305-R335 VanDerWaalsContact SD-CG 3.51Å; M305-K336 HydrophobicContact CE-CD 4.47Å; M305-K336 HydrophobicContact CE-CG 4.42Å; M305-K336 HydrophobicContact CG-CB 3.94Å; M305-K336 HydrophobicContact SD-CB 3.89Å; M305-K336 HydrophobicContact SD-CG 4.19Å
306Y98.6Very high98.5Very high15 Ų1528.8 Ų28.86%0.05917%0.171CC..SBendtrans-56131.3177.2-70.7-59000111.9L185 K213 C217 V219 P258 L261 T303 T304 G308 I309L185-Y306 HydrophobicContact CD1-CE2 3.81Å; K213-Y306 VanDerWaalsContact CD-OH 3.25Å; K213-Y306 WeakPolarHBondContact CD-OH 3.29Å; K213-Y306 HydrophobicContact CG-CE1 4.22Å; K213-Y306 WeakPolarHBondContact CG-OH 3.41Å; C217-Y306 HydrophobicContact CB-CD1 4.07Å; C217-Y306 HydrophobicContact CB-CE1 3.59Å; V219-Y306 HydrophobicContact CG2-CD2 4.4Å; V219-Y306 HydrophobicContact CG2-CG 4.36Å; P258-Y306 HydrophobicContact CB-CD1 4.34Å; P258-Y306 HydrophobicContact CB-CD2 3.8Å; P258-Y306 HydrophobicContact CB-CE1 4.26Å; P258-Y306 HydrophobicContact CB-CE2 3.68Å; P258-Y306 HydrophobicContact CB-CG 4.13Å; L261-Y306 HydrophobicContact CD1-CD2 4.21Å; L261-Y306 HydrophobicContact CD1-CE2 4.09Å; T303-Y306 HydrophobicContact CG2-CE2 4.14Å; T303-Y306 WeakPolarHBondContact O-CD2 3.29Å; T304-Y306 VanDerWaalsContact C-N 3.27Å; T304-Y306 PolarHBondContact O-N 2.82Å; Y306-G308 PolarHBondContact O-N 3.14Å; Y306-I309 VanDerWaalsContact O-CG2 3.22Å; Y306-I309 WeakPolarHBondContact O-CG2 3.35Å; Y306-I309 PolarHBondContact O-N 3.17Å
307P98.7Very high98.5Very high86 Ų8627.1 Ų27.156%0.55816%0.163SC*.THydrogen-bonded Turntrans-55.3140.4166.9-23.433.9000110.6V219 I309V219-P307 PolarHBondContact N-O 3.03Å; P307-I309 VanDerWaalsContact C-N 3.3Å; P307-I309 PolarHBondContact O-N 3.21Å
308G98.6Very high98.5Very high27 Ų2730.7 Ų30.728%0.27818%0.184SC..THydrogen-bonded Turntrans81.9-10.2178.500000116.1Y306 A310 D311 R312Y306-G308 PolarHBondContact O-N 3.14Å; G308-A310 VanDerWaalsContact C-N 3.32Å; G308-A310 PolarHBondContact O-N 3.13Å; G308-D311 PolarHBondContact O-N 2.93Å; G308-R312 PolarHBondContact O-N 3.01Å
309I98.8Very high98.4Very high1 Ų134.5 Ų34.51%0.00522%0.216CC..Hα-helixtrans-63.7-37.4-177-164.2175.4000112.7M153 V219 L261 F262 I274 L299 T304 Y306 P307 R312 M313M153-I309 HydrophobicContact CE-CD1 4.3Å; V219-I309 HydrophobicContact CB-CB 4.31Å; V219-I309 HydrophobicContact CG2-CB 3.92Å; V219-I309 HydrophobicContact CG2-CG1 4.1Å; L261-I309 HydrophobicContact CD1-CD1 4.43Å; F262-I309 HydrophobicContact CE2-CG1 4.4Å; F262-I309 HydrophobicContact CZ-CG1 4.14Å; I274-I309 HydrophobicContact CD1-CD1 4.08Å; I274-I309 HydrophobicContact CD1-CG1 4.44Å; L299-I309 HydrophobicContact CD1-CG2 3.99Å; T304-I309 VanDerWaalsContact O-CG2 3.28Å; T304-I309 WeakPolarHBondContact O-CG2 3.37Å; Y306-I309 VanDerWaalsContact O-CG2 3.22Å; Y306-I309 WeakPolarHBondContact O-CG2 3.35Å; Y306-I309 PolarHBondContact O-N 3.17Å; P307-I309 VanDerWaalsContact C-N 3.3Å; P307-I309 PolarHBondContact O-N 3.21Å; I309-R312 PolarHBondContact O-N 2.85Å; I309-M313 HydrophobicContact CG1-CG 4.35Å; I309-M313 WeakPolarHBondContact O-CB 3.3Å; I309-M313 VanDerWaalsContact O-CG 3.23Å; I309-M313 WeakPolarHBondContact O-CG 3.23Å; I309-M313 PolarHBondContact O-N 2.93Å
310A98.7Very high98.4Very high25 Ų2537.5 Ų37.521%0.20723%0.232CC..Hα-helixtrans-65.7-43.4179.300000111.3L299 G308 M313 Q314 I329 A331L299-A310 HydrophobicContact CD1-CB 4.28Å; G308-A310 VanDerWaalsContact C-N 3.32Å; G308-A310 PolarHBondContact O-N 3.13Å; A310-M313 PolarHBondContact O-N 3.2Å; A310-Q314 VanDerWaalsContact O-CB 3.3Å; A310-Q314 WeakPolarHBondContact O-CB 3.44Å; A310-Q314 PolarHBondContact O-N 2.9Å; A310-I329 HydrophobicContact CB-CG2 4.07Å; A310-A331 HydrophobicContact CB-CB 3.91Å
311D98.7Very high98.3Very high105 Ų10538 Ų3856%0.56124%0.236SC*.Hα-helixtrans-67-41.5178.4-56.8-57.1000111.5L221 G308 Q314 K315L221-D311 HydrophobicContact CD1-CB 4.17Å; G308-D311 PolarHBondContact O-N 2.93Å; D311-Q314 WeakPolarHBondContact O-CB 3.47Å; D311-Q314 PolarHBondContact O-N 2.88Å; D311-K315 PolarHBondContact O-N 2.93Å
312R98.7Very high98.2Very high11 Ų1140.4 Ų40.44%0.04225%0.25CC..Hα-helixtrans-63.6-47.9174.6-175.364.3176.8-71.3-9.4111.5V219 A220 L221 E259 F262 G308 I309 Q314 K315 E316V219-R312 HydrophobicContact CG1-CB 3.47Å; V219-R312 VanDerWaalsContact CG1-CB 3.47Å; V219-R312 HydrophobicContact CG1-CG 3.67Å; A220-R312 WeakPolarHBondContact O-CD 3.4Å; A220-R312 PolarHBondContact O-NH1 3.04Å; L221-R312 WeakPolarHBondContact O-CD 3.3Å; E259-R312 IonicContact OE1-CZ 3.32Å; E259-R312 IonicContact OE1-NH1 3.1Å; E259-R312 PolarHBondContact OE1-NH1 3.46Å; E259-R312 IonicContact OE1-NH2 3.73Å; E259-R312 PolarHBondContact OE1-NH2 2.92Å; E259-R312 IonicContact OE2-CZ 3.57Å; E259-R312 IonicContact OE2-NH1 3.93Å; E259-R312 PolarHBondContact OE2-NH1 3.11Å; E259-R312 IonicContact OE2-NH2 3.03Å; F262-R312 HydrophobicContact CD1-CG 3.89Å; F262-R312 HydrophobicContact CD2-CG 4.5Å; F262-R312 HydrophobicContact CE1-CB 4.17Å; F262-R312 HydrophobicContact CE1-CG 3.37Å; F262-R312 HydrophobicContact CE2-CG 4.02Å; F262-R312 HydrophobicContact CG-CG 4.46Å; F262-R312 HydrophobicContact CZ-CB 3.9Å; F262-R312 HydrophobicContact CZ-CG 3.44Å; F262-R312 VanDerWaalsContact CZ-CG 3.44Å; G308-R312 PolarHBondContact O-N 3.01Å; I309-R312 PolarHBondContact O-N 2.85Å; R312-Q314 VanDerWaalsContact C-N 3.27Å; R312-Q314 PolarHBondContact O-N 2.92Å; R312-K315 PolarHBondContact O-N 3.32Å; R312-E316 HydrophobicContact CG-CG 4.3Å; R312-E316 IonicContact CZ-OE1 3.45Å; R312-E316 IonicContact NE-OE1 3.04Å; R312-E316 PolarHBondContact NE-OE1 2.86Å; R312-E316 IonicContact NH2-OE1 2.89Å; R312-E316 PolarHBondContact NH2-OE1 3.41Å; R312-E316 WeakPolarHBondContact O-CG 3.41Å; R312-E316 PolarHBondContact O-N 3.43Å
313M98.6Very high98Very high0 Ų044.3 Ų44.30%027%0.27CS..Hα-helixtrans-57.9-40.5174.5-75-67.9-74.300111.9M153 F262 I274 H275 L299 I309 A310 I317 I329M153-M313 HydrophobicContact CE-CE 4.18Å; M153-M313 HydrophobicContact CE-SD 4.41Å; F262-M313 HydrophobicContact CE1-CG 4.31Å; F262-M313 HydrophobicContact CE1-SD 3.88Å; F262-M313 HydrophobicContact CZ-CG 4.23Å; F262-M313 HydrophobicContact CZ-SD 4.21Å; I274-M313 HydrophobicContact CD1-SD 3.83Å; I274-M313 HydrophobicContact CG1-SD 3.82Å; H275-M313 HydrophobicContact CB-SD 3.83Å; L299-M313 HydrophobicContact CD2-CE 4.49Å; I309-M313 HydrophobicContact CG1-CG 4.35Å; I309-M313 WeakPolarHBondContact O-CB 3.3Å; I309-M313 VanDerWaalsContact O-CG 3.23Å; I309-M313 WeakPolarHBondContact O-CG 3.23Å; I309-M313 PolarHBondContact O-N 2.93Å; A310-M313 PolarHBondContact O-N 3.2Å; M313-I317 HydrophobicContact CE-CD1 3.67Å; M313-I317 WeakPolarHBondContact O-CB 3.3Å; M313-I317 WeakPolarHBondContact O-CG1 3.39Å; M313-I317 PolarHBondContact O-N 2.89Å; M313-I329 HydrophobicContact CB-CD1 4.2Å; M313-I329 HydrophobicContact CB-CG1 4.11Å; M313-I329 HydrophobicContact CB-CG2 4.4Å
314Q98.7Very high97.8Very high59 Ų5949.8 Ų49.828%0.27630%0.303SS..Hα-helixtrans-62.2-48.8177.4-177.369.461.900111A310 D311 R312 T318 I327 I329A310-Q314 VanDerWaalsContact O-CB 3.3Å; A310-Q314 WeakPolarHBondContact O-CB 3.44Å; A310-Q314 PolarHBondContact O-N 2.9Å; D311-Q314 WeakPolarHBondContact O-CB 3.47Å; D311-Q314 PolarHBondContact O-N 2.88Å; R312-Q314 VanDerWaalsContact C-N 3.27Å; R312-Q314 PolarHBondContact O-N 2.92Å; Q314-T318 PolarHBondContact NE2-OG1 3.17Å; Q314-T318 WeakPolarHBondContact O-CB 3.48Å; Q314-T318 PolarHBondContact O-N 3.39Å; Q314-T318 VanDerWaalsContact O-N 3.11Å; Q314-T318 PolarHBondContact O-OG1 3.38Å; Q314-I327 PolarHBondContact NE2-O 3.03Å; Q314-I327 PolarHBondContact OE1-O 3.27Å; Q314-I329 HydrophobicContact CB-CG1 3.74Å; Q314-I329 VanDerWaalsContact OE1-N 3.1Å
315K98.6Very high97.6Very high77 Ų7752 Ų5234%0.33532%0.315SS..Hα-helixtrans-56.7-55175.4176.3-177.3168.6-1760111.4L221 D222 D311 R312 T318 A319L221-K315 HydrophobicContact CD1-CB 4.13Å; L221-K315 HydrophobicContact CD1-CD 3.92Å; L221-K315 HydrophobicContact CG-CD 4.18Å; L221-K315 WeakPolarHBondContact O-CD 3.33Å; L221-K315 PolarHBondContact O-NZ 3.49Å; D222-K315 IonicContact OD2-NZ 2.88Å; D222-K315 PolarHBondContact OD2-NZ 3.45Å; D311-K315 PolarHBondContact O-N 2.93Å; R312-K315 PolarHBondContact O-N 3.32Å; K315-T318 PolarHBondContact O-N 3.12Å; K315-A319 PolarHBondContact O-N 2.89Å; K315-A319 VanDerWaalsContact O-N 3.11Å
316E98.6Very high97.5Very high38 Ų3857 Ų5718%0.17833%0.334CS..Hα-helixtrans-68.5-43.9-172.1-61.3-59.5173.300112.6F262 H275 R312 T318 A319 L320F262-E316 HydrophobicContact CD1-CG 4.33Å; F262-E316 HydrophobicContact CE1-CG 4.46Å; H275-E316 HydrophobicContact CB-CB 3.67Å; H275-E316 HydrophobicContact CB-CG 4.33Å; R312-E316 HydrophobicContact CG-CG 4.3Å; R312-E316 IonicContact CZ-OE1 3.45Å; R312-E316 IonicContact NE-OE1 3.04Å; R312-E316 PolarHBondContact NE-OE1 2.86Å; R312-E316 IonicContact NH2-OE1 2.89Å; R312-E316 PolarHBondContact NH2-OE1 3.41Å; R312-E316 WeakPolarHBondContact O-CG 3.41Å; R312-E316 PolarHBondContact O-N 3.43Å; E316-T318 VanDerWaalsContact C-N 3.29Å; E316-T318 PolarHBondContact O-N 3.28Å; E316-A319 PolarHBondContact O-N 3.25Å; E316-L320 WeakPolarHBondContact O-CG 3.42Å; E316-L320 PolarHBondContact O-N 2.83Å; E316-L320 VanDerWaalsContact O-N 3.12Å
317I98.4Very high97.5Very high0 Ų057 Ų570%034%0.335CS..Hα-helixtrans-66.5-34.4177.6-66.7166.4000110.8H275 T278 Y294 T297 M313 A319 L320 A321 I327 I329H275-I317 HydrophobicContact CB-CG1 4.49Å; T278-I317 HydrophobicContact CG2-CD1 4.03Å; Y294-I317 HydrophobicContact CD1-CG2 3.96Å; Y294-I317 HydrophobicContact CE1-CG2 3.87Å; T297-I317 HydrophobicContact CG2-CD1 4.32Å; M313-I317 HydrophobicContact CE-CD1 3.67Å; M313-I317 WeakPolarHBondContact O-CB 3.3Å; M313-I317 WeakPolarHBondContact O-CG1 3.39Å; M313-I317 PolarHBondContact O-N 2.89Å; I317-A319 VanDerWaalsContact C-N 3.29Å; I317-A319 PolarHBondContact O-N 3.2Å; I317-L320 PolarHBondContact O-N 3.29Å; I317-A321 WeakPolarHBondContact O-CB 3.41Å; I317-A321 PolarHBondContact O-N 3.16Å; I317-I327 HydrophobicContact CB-CG2 4.03Å; I317-I327 HydrophobicContact CG2-CD1 4.16Å; I317-I327 HydrophobicContact CG2-CG1 4.2Å; I317-I327 HydrophobicContact CG2-CG2 3.62Å; I317-I329 HydrophobicContact CD1-CD1 3.78Å
318T98.1Very high97.5Very high75 Ų7557.5 Ų57.546%0.4633%0.329SS..Hα-helixtrans-65.6-34.1176.5-58.40000111.8Q314 K315 E316Q314-T318 PolarHBondContact NE2-OG1 3.17Å; Q314-T318 WeakPolarHBondContact O-CB 3.48Å; Q314-T318 PolarHBondContact O-N 3.39Å; Q314-T318 VanDerWaalsContact O-N 3.11Å; Q314-T318 PolarHBondContact O-OG1 3.38Å; K315-T318 PolarHBondContact O-N 3.12Å; E316-T318 VanDerWaalsContact C-N 3.29Å; E316-T318 PolarHBondContact O-N 3.28Å
319A98.1Very high97.5Very high80 Ų8057.2 Ų57.266%0.66132%0.321SS*.Hα-helixtrans-72-33.5175.900000113K315 E316 I317K315-A319 PolarHBondContact O-N 2.89Å; K315-A319 VanDerWaalsContact O-N 3.11Å; E316-A319 PolarHBondContact O-N 3.25Å; I317-A319 VanDerWaalsContact C-N 3.29Å; I317-A319 PolarHBondContact O-N 3.2Å
320L97.9Very high97.5Very high63 Ų6358.1 Ų58.133%0.3333%0.325SS..Hα-helixtrans-83-36.6179.8-66.7173.7000113.4E276 Y279 E316 I317E276-L320 HydrophobicContact CG-CD1 3.9Å; Y279-L320 HydrophobicContact CD2-CB 3.68Å; Y279-L320 HydrophobicContact CE2-CB 4.07Å; Y279-L320 VanDerWaalsContact CE2-O 3.3Å; Y279-L320 WeakPolarHBondContact CE2-O 3.49Å; Y279-L320 HydrophobicContact CG-CB 3.97Å; Y279-L320 HydrophobicContact CG-CD1 4.15Å; E316-L320 WeakPolarHBondContact O-CG 3.42Å; E316-L320 PolarHBondContact O-N 2.83Å; E316-L320 VanDerWaalsContact O-N 3.12Å; I317-L320 PolarHBondContact O-N 3.29Å
321A96.7Very high97.4Very high10 Ų1058.5 Ų58.58%0.08333%0.328CS..SBendtrans-74.4154.7-174.700000112.5Y294 I317 S323 M325 I327Y294-A321 HydrophobicContact CD1-CB 4.29Å; Y294-A321 HydrophobicContact CE1-CB 3.72Å; Y294-A321 HydrophobicContact CE2-CB 4.24Å; I317-A321 WeakPolarHBondContact O-CB 3.41Å; I317-A321 PolarHBondContact O-N 3.16Å; A321-S323 PolarHBondContact O-N 3Å; A321-M325 HydrophobicContact CB-CB 4.48Å; A321-I327 HydrophobicContact CB-CD1 3.64Å; A321-I327 HydrophobicContact CB-CG1 4.25Å
322P94.6Very high97.4Very high60 Ų6054.4 Ų54.439%0.3931%0.307SS..  trans-55.4138.8171.3-22.932.7000111.5T324 M325P322-T324 PolarHBondContact O-N 3.08Å; P322-M325 HydrophobicContact CB-CG 4.15Å; P322-M325 HydrophobicContact CG-CG 4.27Å; P322-M325 WeakPolarHBondContact O-CB 3.43Å; P322-M325 PolarHBondContact O-N 3.11Å
323S94Very high97.3Very high125 Ų12558.8 Ų58.887%0.87434%0.337SS*.THydrogen-bonded Turntrans-60.7-16.4-175.757.80000115A321 M325A321-S323 PolarHBondContact O-N 3Å; S323-M325 VanDerWaalsContact C-N 3.34Å
324T93.9Very high97.1Very high123 Ų12363.1 Ų63.176%0.75536%0.358SS*.THydrogen-bonded Turntrans-79.7-14.5174.453.60000113.4P322P322-T324 PolarHBondContact O-N 3.08Å
325M95.1Very high97.1Very high48 Ų4861.6 Ų61.624%0.23635%0.349CS..SBendtrans-84.4132.4-178.6-63.6-62.9171.900110.8K291 Y294 A321 P322 S323 I327K291-M325 HydrophobicContact CB-SD 4.1Å; K291-M325 HydrophobicContact CG-SD 4.49Å; Y294-M325 HydrophobicContact CD2-CB 3.92Å; Y294-M325 HydrophobicContact CD2-CG 3.72Å; Y294-M325 HydrophobicContact CD2-SD 4.03Å; Y294-M325 HydrophobicContact CE2-CB 4.42Å; Y294-M325 HydrophobicContact CE2-CG 3.97Å; Y294-M325 HydrophobicContact CG-CB 4.38Å; A321-M325 HydrophobicContact CB-CB 4.48Å; P322-M325 HydrophobicContact CB-CG 4.15Å; P322-M325 HydrophobicContact CG-CG 4.27Å; P322-M325 WeakPolarHBondContact O-CB 3.43Å; P322-M325 PolarHBondContact O-N 3.11Å; S323-M325 VanDerWaalsContact C-N 3.34Å; M325-I327 HydrophobicContact CB-CD1 3.95Å
326K96Very high97Very high168 Ų16862 Ų6273%0.7335%0.351SS*.  trans-88.8111.3171.1-176.7177.61801770109.1Y294Y294-K326 CarbonylContact C-O 3.55Å
327I98.1Very high97Very high16 Ų1663 Ų638%0.08235%0.354CS..  trans-88.5132.1179.1-48.1-46.7000109.4Y294 Q314 I317 A321 M325 I329Y294-I327 HydrophobicContact CD1-CD1 3.39Å; Y294-I327 HydrophobicContact CD2-CD1 4.33Å; Y294-I327 HydrophobicContact CE1-CD1 4.11Å; Y294-I327 HydrophobicContact CG-CD1 3.53Å; Q314-I327 PolarHBondContact NE2-O 3.03Å; Q314-I327 PolarHBondContact OE1-O 3.27Å; I317-I327 HydrophobicContact CB-CG2 4.03Å; I317-I327 HydrophobicContact CG2-CD1 4.16Å; I317-I327 HydrophobicContact CG2-CG1 4.2Å; I317-I327 HydrophobicContact CG2-CG2 3.62Å; A321-I327 HydrophobicContact CB-CD1 3.64Å; A321-I327 HydrophobicContact CB-CG1 4.25Å; M325-I327 HydrophobicContact CB-CD1 3.95Å; I327-I329 HydrophobicContact CG2-CD1 4.22Å
328K98.3Very high97Very high97 Ų9763.1 Ų63.142%0.42236%0.355SS..  trans-137.9115.7172.7-178.4-174.6-179.9-178.30110.4Y294 A295 T297 I330Y294-K328 PolarHBondContact O-N 2.91Å; A295-K328 WeakPolarHBondContact O-CB 3.34Å; T297-K328 PolarHBondContact N-O 3.16Å; K328-I330 HydrophobicContact CD-CG1 4.32Å; K328-I330 HydrophobicContact CG-CG1 4.25Å
329I98.6Very high97Very high21 Ų2159.9 Ų59.911%0.10834%0.335CS..EExtended strand (participates in β ladder)trans-87.5130.7170.6-50.2-52000109.7T297 L299 A310 M313 Q314 I317 I327T297-I329 HydrophobicContact CG2-CD1 3.69Å; T297-I329 CarbonylContact O-C 3.6Å; T297-I329 WeakPolarHBondContact O-CA 3.25Å; L299-I329 HydrophobicContact CD1-CG2 3.84Å; L299-I329 HydrophobicContact CD2-CG2 4.11Å; L299-I329 HydrophobicContact CG-CG2 3.75Å; A310-I329 HydrophobicContact CB-CG2 4.07Å; M313-I329 HydrophobicContact CB-CD1 4.2Å; M313-I329 HydrophobicContact CB-CG1 4.11Å; M313-I329 HydrophobicContact CB-CG2 4.4Å; Q314-I329 HydrophobicContact CB-CG1 3.74Å; Q314-I329 VanDerWaalsContact OE1-N 3.1Å; I317-I329 HydrophobicContact CD1-CD1 3.78Å; I327-I329 HydrophobicContact CG2-CD1 4.22Å
330I98.5Very high97Very high20 Ų2056.1 Ų56.110%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-116.4111.2-179.7-60.5152.5000107.3R147 N296 T297 V298 L299 K328 P332R147-I330 VanDerWaalsContact CZ-CD1 3.43Å; R147-I330 VanDerWaalsContact NE-CD1 3.3Å; N296-I330 HydrophobicContact CB-CD1 4.39Å; T297-I330 PolarHBondContact O-N 3.01Å; V298-I330 CarbonylContact C-O 3.55Å; V298-I330 WeakPolarHBondContact CA-O 3.18Å; V298-I330 HydrophobicContact CG2-CB 4.12Å; V298-I330 HydrophobicContact CG2-CD1 3.92Å; V298-I330 HydrophobicContact CG2-CG2 4.37Å; L299-I330 PolarHBondContact N-O 3.5Å; K328-I330 HydrophobicContact CD-CG1 4.32Å; K328-I330 HydrophobicContact CG-CG1 4.25Å; I330-P332 HydrophobicContact CG2-CG 4.34Å
331A98.2Very high97Very high33 Ų3354.4 Ų54.427%0.27329%0.294SS..  trans-123.285.8178.900000109.9L299 A310L299-A331 HydrophobicContact CB-CB 4.35Å; L299-A331 HydrophobicContact CD1-CB 4.22Å; L299-A331 HydrophobicContact CG-CB 4.42Å; A310-A331 HydrophobicContact CB-CB 3.91Å
332P97.2Very high97.1Very high18 Ų1854 Ų5412%0.11729%0.29CS..  trans-55.2142.4175.6-23.233.8000111I330 E334 R335I330-P332 HydrophobicContact CG2-CG 4.34Å; P332-E334 WeakPolarHBondContact CB-OE1 3.48Å; P332-E334 PolarHBondContact O-N 3.06Å; P332-R335 HydrophobicContact CB-CB 4.26Å; P332-R335 WeakPolarHBondContact O-CB 3.44Å; P332-R335 WeakPolarHBondContact O-CD 3.38Å; P332-R335 WeakPolarHBondContact O-CG 3.33Å; P332-R335 PolarHBondContact O-N 3.37Å; P332-R335 VanDerWaalsContact O-N 3.12Å; P332-R335 PolarHBondContact O-NH1 3.35Å
333P96.9Very high97.2Very high104 Ų10451.1 Ų51.168%0.67527%0.272SS*.THydrogen-bonded Turntrans-56.7-37.3178.1-26.234.6000113.3M305 R335M305-P333 WeakPolarHBondContact CE-O 3.37Å; P333-R335 VanDerWaalsContact C-N 3.3Å; P333-R335 PolarHBondContact O-N 3.48Å
334E95.9Very high97.4Very high91 Ų9145.3 Ų45.343%0.42523%0.232SC..THydrogen-bonded Turntrans-88.212.6-179.665.5-72163.700113.6P332 K336 Y337 I341P332-E334 WeakPolarHBondContact CB-OE1 3.48Å; P332-E334 PolarHBondContact O-N 3.06Å; E334-K336 PolarHBondContact O-N 3.39Å; E334-Y337 WeakPolarHBondContact O-CA 3.4Å; E334-Y337 WeakPolarHBondContact O-CB 3.4Å; E334-Y337 PolarHBondContact O-N 3.03Å; E334-I341 HydrophobicContact CB-CD1 4.24Å; E334-I341 HydrophobicContact CG-CD1 3.57Å
335R97.4Very high97.4Very high27 Ų2742.8 Ų42.810%0.10221%0.213CC..G310 helixtrans-58.7-17.2-171.467.2-170.3172.3-77.62.1116.9L299 G301 T304 M305 P332 P333 Y337 S338L299-R335 WeakPolarHBondContact O-CB 3.34Å; G301-R335 PolarHBondContact N-O 3.46Å; G301-R335 VanDerWaalsContact N-O 3.12Å; T304-R335 VanDerWaalsContact O-CZ 3.26Å; T304-R335 PolarHBondContact O-NE 3.43Å; T304-R335 PolarHBondContact O-NH2 3.2Å; T304-R335 WeakPolarHBondContact OG1-CD 3.48Å; T304-R335 PolarHBondContact OG1-NE 3.44Å; M305-R335 HydrophobicContact SD-CG 3.51Å; M305-R335 VanDerWaalsContact SD-CG 3.51Å; P332-R335 HydrophobicContact CB-CB 4.26Å; P332-R335 WeakPolarHBondContact O-CB 3.44Å; P332-R335 WeakPolarHBondContact O-CD 3.38Å; P332-R335 WeakPolarHBondContact O-CG 3.33Å; P332-R335 PolarHBondContact O-N 3.37Å; P332-R335 VanDerWaalsContact O-N 3.12Å; P332-R335 PolarHBondContact O-NH1 3.35Å; P333-R335 VanDerWaalsContact C-N 3.3Å; P333-R335 PolarHBondContact O-N 3.48Å; R335-Y337 PolarHBondContact O-N 3.07Å; R335-S338 VanDerWaalsContact CA-OG 3.27Å; R335-S338 WeakPolarHBondContact CA-OG 3.36Å; R335-S338 PolarHBondContact O-N 3.49Å
336K97Very high97.4Very high86 Ų8641.5 Ų41.537%0.37421%0.207SC..G310 helixtrans-61.5-19.3167.259.2171.7171.9162.80113.3K18 M305 E334K18-K336 WeakPolarHBondContact CE-O 3.11Å; M305-K336 HydrophobicContact CE-CD 4.47Å; M305-K336 HydrophobicContact CE-CG 4.42Å; M305-K336 HydrophobicContact CG-CB 3.94Å; M305-K336 HydrophobicContact SD-CB 3.89Å; M305-K336 HydrophobicContact SD-CG 4.19Å; E334-K336 PolarHBondContact O-N 3.39Å
337Y97.8Very high97.4Very high58 Ų5833.7 Ų33.723%0.22717%0.173CC..G310 helixtrans-114.71.4179.8-52.8-42.2000113.1K18 P27 V30 E334 R335 V339 W340 I341K18-Y337 HydrophobicContact CD-CD1 3.74Å; K18-Y337 HydrophobicContact CD-CE1 4.27Å; P27-Y337 HydrophobicContact CG-CD1 4.15Å; P27-Y337 HydrophobicContact CG-CE1 4.41Å; P27-Y337 HydrophobicContact CG-CG 4.34Å; V30-Y337 HydrophobicContact CG2-CE1 4.09Å; E334-Y337 WeakPolarHBondContact O-CA 3.4Å; E334-Y337 WeakPolarHBondContact O-CB 3.4Å; E334-Y337 PolarHBondContact O-N 3.03Å; R335-Y337 PolarHBondContact O-N 3.07Å; Y337-V339 VanDerWaalsContact C-N 3.25Å; Y337-V339 PolarHBondContact O-N 3.17Å; Y337-V339 VanDerWaalsContact O-N 3.14Å; Y337-W340 PolarHBondContact O-N 3.13Å; Y337-I341 WeakPolarHBondContact O-CG1 3.46Å; Y337-I341 PolarHBondContact O-N 3.21Å
338S98.1Very high97.2Very high3 Ų336 Ų362%0.02119%0.191CC..Hα-helixtrans-49.2-44.3-176.6-78.80000113.4A144 R335 W340 I341 G342A144-S338 VanDerWaalsContact CB-O 3.27Å; A144-S338 WeakPolarHBondContact CB-O 3.37Å; R335-S338 VanDerWaalsContact CA-OG 3.27Å; R335-S338 WeakPolarHBondContact CA-OG 3.36Å; R335-S338 PolarHBondContact O-N 3.49Å; S338-W340 PolarHBondContact O-N 3.21Å; S338-I341 PolarHBondContact O-N 2.92Å; S338-G342 PolarHBondContact O-N 3.38Å
339V98.3Very high96.9Very high7 Ų734.8 Ų34.84%0.04219%0.189CC..Hα-helixtrans-55.9-51.5177.3176.40000111.4D11 T106 Q137 L140 S141 Y337 G342 G343D11-V339 HydrophobicContact CB-CG1 4.19Å; D11-V339 VanDerWaalsContact OD1-CG1 3.29Å; D11-V339 WeakPolarHBondContact OD1-CG1 3.22Å; T106-V339 HydrophobicContact CG2-CG1 3.76Å; Q137-V339 HydrophobicContact CB-CG1 3.94Å; Q137-V339 HydrophobicContact CB-CG2 3.91Å; Q137-V339 HydrophobicContact CG-CG1 3.8Å; Q137-V339 HydrophobicContact CG-CG2 4.4Å; L140-V339 WeakPolarHBondContact CB-O 3.47Å; L140-V339 HydrophobicContact CD1-CG1 4.27Å; S141-V339 WeakPolarHBondContact OG-CG2 3.38Å; S141-V339 PolarHBondContact OG-N 2.92Å; Y337-V339 VanDerWaalsContact C-N 3.25Å; Y337-V339 PolarHBondContact O-N 3.17Å; Y337-V339 VanDerWaalsContact O-N 3.14Å; V339-G342 PolarHBondContact O-N 3.25Å; V339-G343 PolarHBondContact O-N 2.76Å
340W98.5Very high96.4Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-68.3-42.5-177.7-176.691.7000111.1V9 D11 K18 D24 A26 P27 Y337 S338 G342 G343 S344V9-W340 HydrophobicContact CG1-CG 4.25Å; V9-W340 PolarHBondContact O-NE1 2.88Å; D11-W340 HydrophobicContact CB-CB 4.26Å; K18-W340 HydrophobicContact CB-CB 4.46Å; K18-W340 HydrophobicContact CB-CG 4.45Å; D24-W340 HydrophobicContact CB-CH2 3.87Å; D24-W340 WeakPolarHBondContact O-CH2 3.38Å; D24-W340 WeakPolarHBondContact O-CZ3 3.3Å; A26-W340 VanDerWaalsContact C-CH2 3.41Å; A26-W340 VanDerWaalsContact O-CH2 3.26Å; A26-W340 WeakPolarHBondContact O-CH2 3.33Å; A26-W340 WeakPolarHBondContact O-CZ3 3.29Å; P27-W340 HydrophobicContact CB-CD2 3.73Å; P27-W340 HydrophobicContact CB-CE3 4.18Å; P27-W340 HydrophobicContact CB-CG 3.97Å; P27-W340 HydrophobicContact CB-CZ2 4.46Å; P27-W340 HydrophobicContact CG-CD2 4.3Å; P27-W340 HydrophobicContact CG-CE3 4.39Å; P27-W340 HydrophobicContact CG-CG 4.5Å; Y337-W340 PolarHBondContact O-N 3.13Å; S338-W340 PolarHBondContact O-N 3.21Å; W340-G342 VanDerWaalsContact C-N 3.3Å; W340-G342 PolarHBondContact O-N 3.21Å; W340-G343 PolarHBondContact O-N 3.46Å; W340-G343 VanDerWaalsContact O-N 3.14Å; W340-S344 PolarHBondContact O-N 2.8Å
341I98.2Very high95.9Very high28 Ų2842.8 Ų42.814%0.14424%0.244CC..Hα-helixtrans-59.4-44.2176.3-65169.7000110.1A144 E334 Y337 S338 G343 S344 I345A144-I341 HydrophobicContact CB-CB 4.15Å; A144-I341 HydrophobicContact CB-CG2 3.98Å; E334-I341 HydrophobicContact CB-CD1 4.24Å; E334-I341 HydrophobicContact CG-CD1 3.57Å; Y337-I341 WeakPolarHBondContact O-CG1 3.46Å; Y337-I341 PolarHBondContact O-N 3.21Å; S338-I341 PolarHBondContact O-N 2.92Å; I341-G343 VanDerWaalsContact C-N 3.33Å; I341-G343 PolarHBondContact O-N 2.87Å; I341-S344 WeakPolarHBondContact O-CB 3.36Å; I341-S344 PolarHBondContact O-N 3.03Å; I341-I345 HydrophobicContact CG2-CD1 3.95Å; I341-I345 WeakPolarHBondContact O-CG1 3.43Å; I341-I345 PolarHBondContact O-N 2.9Å
342G97.6Very high95.5Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-62.2-39.8176.200000113.1L140 S338 V339 W340 L346L140-G342 VanDerWaalsContact O-CA 3.26Å; L140-G342 WeakPolarHBondContact O-CA 3.33Å; S338-G342 PolarHBondContact O-N 3.38Å; V339-G342 PolarHBondContact O-N 3.25Å; W340-G342 VanDerWaalsContact C-N 3.3Å; W340-G342 PolarHBondContact O-N 3.21Å; G342-L346 VanDerWaalsContact O-CB 3.28Å; G342-L346 WeakPolarHBondContact O-CB 3.31Å; G342-L346 PolarHBondContact O-N 2.83Å
343G97.6Very high95Very high0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-64.7-41.5172.700000112.7V339 W340 I341 L346 A347V339-G343 PolarHBondContact O-N 2.76Å; W340-G343 PolarHBondContact O-N 3.46Å; W340-G343 VanDerWaalsContact O-N 3.14Å; I341-G343 VanDerWaalsContact C-N 3.33Å; I341-G343 PolarHBondContact O-N 2.87Å; G343-L346 PolarHBondContact O-N 2.82Å; G343-A347 VanDerWaalsContact O-CB 3.25Å; G343-A347 WeakPolarHBondContact O-CB 3.21Å; G343-A347 PolarHBondContact O-N 2.8Å
344S97.6Very high94.7Very high4 Ų447.8 Ų47.83%0.02825%0.251CS..Hα-helixtrans-60.5-48176.2-179.70000111.2G23 D24 W340 I341 S348G23-S344 PolarHBondContact N-OG 3.29Å; D24-S344 PolarHBondContact N-OG 2.72Å; D24-S344 PolarHBondContact O-OG 2.88Å; W340-S344 PolarHBondContact O-N 2.8Å; I341-S344 WeakPolarHBondContact O-CB 3.36Å; I341-S344 PolarHBondContact O-N 3.03Å; S344-S348 WeakPolarHBondContact O-CB 3.48Å; S344-S348 PolarHBondContact O-N 3.33Å; S344-S348 VanDerWaalsContact O-N 3.14Å; S344-S348 PolarHBondContact O-OG 2.86Å
345I95.4Very high94.6Very high69 Ų6947 Ų4735%0.35425%0.248SC..Hα-helixtrans-60.3-54.7175.1-67.2165.4000110I341 A347 S348 L349I341-I345 HydrophobicContact CG2-CD1 3.95Å; I341-I345 WeakPolarHBondContact O-CG1 3.43Å; I341-I345 PolarHBondContact O-N 2.9Å; I345-A347 PolarHBondContact O-N 3.37Å; I345-S348 PolarHBondContact O-N 3.42Å; I345-S348 VanDerWaalsContact O-N 3.09Å; I345-S348 PolarHBondContact O-OG 2.81Å; I345-L349 WeakPolarHBondContact O-CG 3.39Å; I345-L349 PolarHBondContact O-N 3.41Å
346L94.9Very high94.6Very high21 Ų2146.4 Ų46.411%0.1125%0.246CC..Hα-helixtrans-57.4-48.1-175.8-178.664.3000112.1L104 L140 G342 G343 S348 L349 F352L104-L346 HydrophobicContact CD1-CD2 4.21Å; L140-L346 HydrophobicContact CD2-CB 4.29Å; L140-L346 HydrophobicContact CD2-CD2 3.61Å; G342-L346 VanDerWaalsContact O-CB 3.28Å; G342-L346 WeakPolarHBondContact O-CB 3.31Å; G342-L346 PolarHBondContact O-N 2.83Å; G343-L346 PolarHBondContact O-N 2.82Å; L346-S348 PolarHBondContact O-N 2.81Å; L346-L349 HydrophobicContact CD1-CD1 4.41Å; L346-L349 WeakPolarHBondContact O-CB 3.19Å; L346-L349 PolarHBondContact O-N 3.12Å; L346-F352 HydrophobicContact CD1-CD2 3.57Å; L346-F352 HydrophobicContact CD1-CE2 3.95Å; L346-F352 HydrophobicContact CD1-CG 4.19Å; L346-F352 HydrophobicContact CD2-CD2 4.2Å; L346-F352 HydrophobicContact CD2-CE2 3.7Å; L346-F352 HydrophobicContact CD2-CZ 4.08Å; L346-F352 HydrophobicContact CG-CD2 3.66Å; L346-F352 HydrophobicContact CG-CE2 3.65Å; L346-F352 HydrophobicContact CG-CG 4.11Å; L346-F352 HydrophobicContact CG-CZ 4.09Å; L346-F352 VanDerWaalsContact O-CB 3.23Å; L346-F352 WeakPolarHBondContact O-CB 3.22Å; L346-F352 WeakPolarHBondContact O-CG 3.39Å
347A95.6Very high94.6Very high4 Ų442.3 Ų42.33%0.03323%0.228CC..Hα-helixtrans-69.3-19.7-179.200000113.5A7 V9 A22 L104 G343 I345 W356A7-A347 HydrophobicContact CB-CB 4.15Å; V9-A347 HydrophobicContact CG2-CB 4.27Å; A22-A347 HydrophobicContact CB-CB 3.63Å; L104-A347 HydrophobicContact CD1-CB 4.2Å; G343-A347 VanDerWaalsContact O-CB 3.25Å; G343-A347 WeakPolarHBondContact O-CB 3.21Å; G343-A347 PolarHBondContact O-N 2.8Å; I345-A347 PolarHBondContact O-N 3.37Å; A347-W356 HydrophobicContact CB-CH2 4.34Å; A347-W356 HydrophobicContact CB-CZ2 4.07Å
348S93.1Very high94.6Very high65 Ų6541.3 Ų41.346%0.45523%0.23SC..Hα-helixtrans-84.4-10.2174.973.80000114.2S344 I345 L346S344-S348 WeakPolarHBondContact O-CB 3.48Å; S344-S348 PolarHBondContact O-N 3.33Å; S344-S348 VanDerWaalsContact O-N 3.14Å; S344-S348 PolarHBondContact O-OG 2.86Å; I345-S348 PolarHBondContact O-N 3.42Å; I345-S348 VanDerWaalsContact O-N 3.09Å; I345-S348 PolarHBondContact O-OG 2.81Å; L346-S348 PolarHBondContact O-N 2.81Å
349L91.7Very high94.6Very high72 Ų7243.9 Ų43.938%0.37724%0.24SC..  trans-75.6126.9179.6-63.2177.1000110.7I345 L346 T351 F352I345-L349 WeakPolarHBondContact O-CG 3.39Å; I345-L349 PolarHBondContact O-N 3.41Å; L346-L349 HydrophobicContact CD1-CD1 4.41Å; L346-L349 WeakPolarHBondContact O-CB 3.19Å; L346-L349 PolarHBondContact O-N 3.12Å; L349-T351 PolarHBondContact O-N 3.42Å; L349-F352 HydrophobicContact CB-CB 4.08Å; L349-F352 VanDerWaalsContact O-CB 3.28Å; L349-F352 WeakPolarHBondContact O-CB 3.41Å; L349-F352 PolarHBondContact O-N 2.84Å
350S89.3Confident94.6Very high99 Ų9949.8 Ų49.869%0.69227%0.268SS*.G310 helixtrans-59.4-31.6175.958.30000113.1F352 Q353S350-F352 VanDerWaalsContact C-N 3.25Å; S350-F352 PolarHBondContact O-N 2.93Å; S350-Q353 WeakPolarHBondContact O-CB 3.25Å; S350-Q353 WeakPolarHBondContact O-CG 3.3Å; S350-Q353 PolarHBondContact O-N 3.03Å
351T87.9Confident94.5Very high110 Ų11052.1 Ų52.168%0.67528%0.278SS*.G310 helixtrans-69.3-21.9174.851.80000113.2L349 Q353L349-T351 PolarHBondContact O-N 3.42Å; T351-Q353 VanDerWaalsContact C-N 3.29Å
352F90.1Very high94.5Very high10 Ų1051.2 Ų51.24%0.04427%0.273CS..G310 helixtrans-77.2-16.7177.4-174.3-104.6000112.5L104 Y133 L346 L349 S350 Q354 M355 W356L104-F352 HydrophobicContact CD1-CE1 4.27Å; L104-F352 HydrophobicContact CD1-CZ 4.13Å; Y133-F352 HydrophobicContact CD1-CE2 4.14Å; Y133-F352 AromaticContact CD1-CZ 3.6Å; Y133-F352 HydrophobicContact CD1-CZ 3.6Å; Y133-F352 HydrophobicContact CD2-CE2 4.32Å; Y133-F352 AromaticContact CD2-CZ 3.92Å; Y133-F352 HydrophobicContact CD2-CZ 3.92Å; Y133-F352 HydrophobicContact CE1-CE2 4.07Å; Y133-F352 HydrophobicContact CE1-CZ 4.02Å; Y133-F352 HydrophobicContact CE2-CE2 4.25Å; Y133-F352 HydrophobicContact CE2-CZ 4.3Å; Y133-F352 HydrophobicContact CG-CE1 4.47Å; Y133-F352 HydrophobicContact CG-CE2 4.27Å; Y133-F352 AromaticContact CG-CZ 3.55Å; Y133-F352 HydrophobicContact CG-CZ 3.55Å; L346-F352 HydrophobicContact CD1-CD2 3.57Å; L346-F352 HydrophobicContact CD1-CE2 3.95Å; L346-F352 HydrophobicContact CD1-CG 4.19Å; L346-F352 HydrophobicContact CD2-CD2 4.2Å; L346-F352 HydrophobicContact CD2-CE2 3.7Å; L346-F352 HydrophobicContact CD2-CZ 4.08Å; L346-F352 HydrophobicContact CG-CD2 3.66Å; L346-F352 HydrophobicContact CG-CE2 3.65Å; L346-F352 HydrophobicContact CG-CG 4.11Å; L346-F352 HydrophobicContact CG-CZ 4.09Å; L346-F352 VanDerWaalsContact O-CB 3.23Å; L346-F352 WeakPolarHBondContact O-CB 3.22Å; L346-F352 WeakPolarHBondContact O-CG 3.39Å; L349-F352 HydrophobicContact CB-CB 4.08Å; L349-F352 VanDerWaalsContact O-CB 3.28Å; L349-F352 WeakPolarHBondContact O-CB 3.41Å; L349-F352 PolarHBondContact O-N 2.84Å; S350-F352 VanDerWaalsContact C-N 3.25Å; S350-F352 PolarHBondContact O-N 2.93Å; F352-Q354 PolarHBondContact O-N 3.37Å; F352-M355 HydrophobicContact CD2-CB 3.78Å; F352-M355 HydrophobicContact CD2-CG 3.95Å; F352-M355 HydrophobicContact CE2-CB 3.74Å; F352-M355 HydrophobicContact CE2-CG 4.27Å; F352-M355 HydrophobicContact CG-CB 4.39Å; F352-M355 HydrophobicContact CZ-CB 4.33Å; F352-M355 VanDerWaalsContact O-CB 3.31Å; F352-M355 WeakPolarHBondContact O-CB 3.47Å; F352-M355 PolarHBondContact O-N 3.5Å; F352-W356 AromaticContact CD1-CE2 3.87Å; F352-W356 HydrophobicContact CD1-CZ2 4.05Å; F352-W356 AromaticContact CD1-NE1 3.89Å; F352-W356 AromaticContact CE1-CD2 3.96Å; F352-W356 HydrophobicContact CE1-CD2 3.96Å; F352-W356 AromaticContact CE1-CE2 3.59Å; F352-W356 HydrophobicContact CE1-CE3 4.31Å; F352-W356 HydrophobicContact CE1-CH2 4.02Å; F352-W356 AromaticContact CE1-CZ2 3.62Å; F352-W356 HydrophobicContact CE1-CZ2 3.62Å; F352-W356 HydrophobicContact CE1-CZ3 4.33Å
353Q86.8Confident94.5Very high80 Ų8056.2 Ų56.237%0.37430%0.3SS..G310 helixtrans-58.3-26.1-176.9-64.1-62.1-11.700113.8S350 T351 M355 W356S350-Q353 WeakPolarHBondContact O-CB 3.25Å; S350-Q353 WeakPolarHBondContact O-CG 3.3Å; S350-Q353 PolarHBondContact O-N 3.03Å; T351-Q353 VanDerWaalsContact C-N 3.29Å; Q353-M355 VanDerWaalsContact C-N 3.35Å; Q353-W356 VanDerWaalsContact OE1-CD1 3.31Å; Q353-W356 VanDerWaalsContact OE1-NE1 3.12Å
354Q90Very high94.5Very high169 Ų16962.7 Ų62.779%0.7933%0.33SS*.G310 helixtrans-82.4-11.6177.4-59.6-176.910.100113.9F352F352-Q354 PolarHBondContact O-N 3.37Å
355M93.7Very high94.5Very high75 Ų7564.4 Ų64.437%0.36934%0.342SS..THydrogen-bonded Turntrans-87.5-21.8-177.3-62.5-58.6-62.800112.8Y133 F352 Q353Y133-M355 HydrophobicContact CD2-CB 4.43Å; Y133-M355 WeakPolarHBondContact CD2-O 3.35Å; Y133-M355 HydrophobicContact CE2-CB 4.13Å; Y133-M355 HydrophobicContact CE2-CE 4.47Å; F352-M355 HydrophobicContact CD2-CB 3.78Å; F352-M355 HydrophobicContact CD2-CG 3.95Å; F352-M355 HydrophobicContact CE2-CB 3.74Å; F352-M355 HydrophobicContact CE2-CG 4.27Å; F352-M355 HydrophobicContact CG-CB 4.39Å; F352-M355 HydrophobicContact CZ-CB 4.33Å; F352-M355 VanDerWaalsContact O-CB 3.31Å; F352-M355 WeakPolarHBondContact O-CB 3.47Å; F352-M355 PolarHBondContact O-N 3.5Å; Q353-M355 VanDerWaalsContact C-N 3.35Å
356W96.6Very high94.6Very high14 Ų1462.1 Ų62.15%0.05334%0.336CS..SBendtrans-53.5142.4175.2-69.1118.9000111.5A7 P102 L104 A131 A347 F352 Q353A7-W356 HydrophobicContact CB-CH2 3.83Å; A7-W356 HydrophobicContact CB-CZ2 3.64Å; P102-W356 HydrophobicContact CB-CD2 4.37Å; P102-W356 HydrophobicContact CB-CE3 4.39Å; P102-W356 HydrophobicContact CB-CH2 4.06Å; P102-W356 HydrophobicContact CB-CZ2 4.04Å; P102-W356 HydrophobicContact CB-CZ3 4.25Å; L104-W356 HydrophobicContact CB-CH2 3.84Å; L104-W356 HydrophobicContact CB-CZ3 4.15Å; A131-W356 HydrophobicContact CB-CB 4.1Å; A131-W356 HydrophobicContact CB-CG 4.44Å; A347-W356 HydrophobicContact CB-CH2 4.34Å; A347-W356 HydrophobicContact CB-CZ2 4.07Å; F352-W356 AromaticContact CD1-CE2 3.87Å; F352-W356 HydrophobicContact CD1-CZ2 4.05Å; F352-W356 AromaticContact CD1-NE1 3.89Å; F352-W356 AromaticContact CE1-CD2 3.96Å; F352-W356 HydrophobicContact CE1-CD2 3.96Å; F352-W356 AromaticContact CE1-CE2 3.59Å; F352-W356 HydrophobicContact CE1-CE3 4.31Å; F352-W356 HydrophobicContact CE1-CH2 4.02Å; F352-W356 AromaticContact CE1-CZ2 3.62Å; F352-W356 HydrophobicContact CE1-CZ2 3.62Å; F352-W356 HydrophobicContact CE1-CZ3 4.33Å; Q353-W356 VanDerWaalsContact OE1-CD1 3.31Å; Q353-W356 VanDerWaalsContact OE1-NE1 3.12Å
357I98.1Very high94.7Very high0 Ų062.9 Ų62.90%034%0.342CS..EExtended strand (participates in β ladder)trans-86.7116.8164.5-54.9171.6000105.3F124 A131 M132 E361 I369 V370 K373F124-I357 HydrophobicContact CE2-CB 4.49Å; F124-I357 HydrophobicContact CE2-CG2 3.9Å; F124-I357 HydrophobicContact CZ-CB 4.29Å; F124-I357 HydrophobicContact CZ-CG2 3.91Å; F124-I357 WeakPolarHBondContact CZ-O 3.42Å; A131-I357 CarbonylContact C-O 3.47Å; A131-I357 WeakPolarHBondContact CA-O 3.33Å; A131-I357 WeakPolarHBondContact CB-O 3.4Å; M132-I357 PolarHBondContact N-O 2.93Å; M132-I357 WeakPolarHBondContact O-CB 3.48Å; M132-I357 PolarHBondContact O-N 3.37Å; I357-E361 HydrophobicContact CG2-CB 4.44Å; I357-I369 HydrophobicContact CD1-CG2 4.32Å; I357-I369 HydrophobicContact CG2-CB 4.49Å; I357-I369 HydrophobicContact CG2-CG1 3.98Å; I357-I369 HydrophobicContact CG2-CG2 3.63Å; I357-V370 HydrophobicContact CD1-CB 4.2Å; I357-V370 HydrophobicContact CD1-CG2 4.29Å; I357-K373 HydrophobicContact CD1-CB 4.08Å; I357-K373 HydrophobicContact CG1-CB 3.72Å; I357-K373 HydrophobicContact CG1-CG 4.1Å
358S97.7Very high94.8Very high38 Ų3864.8 Ų64.827%0.26636%0.355SS..EExtended strand (participates in β ladder)trans-80.7157.3175.161.80000111.6Q360 E361 Y362S358-Q360 PolarHBondContact O-N 3.44Å; S358-E361 PolarHBondContact N-OE2 3.31Å; S358-E361 PolarHBondContact O-N 2.92Å; S358-E361 VanDerWaalsContact O-N 3.15Å; S358-E361 VanDerWaalsContact OG-CG 3.31Å; S358-E361 WeakPolarHBondContact OG-CG 3.4Å; S358-E361 PolarHBondContact OG-N 2.91Å; S358-E361 PolarHBondContact OG-OE2 3.15Å; S358-Y362 PolarHBondContact O-N 3.21Å
359K97.7Very high95Very high56 Ų5662.1 Ų62.124%0.24334%0.335CS..Hα-helixtrans-54.4-37.9172-179.665.4-175.6174.30112.1F124 P130 Y362 D363F124-K359 HydrophobicContact CB-CD 4.13Å; F124-K359 HydrophobicContact CD1-CB 4.14Å; F124-K359 HydrophobicContact CD1-CD 3.52Å; F124-K359 HydrophobicContact CD1-CG 4.44Å; F124-K359 VanDerWaalsContact CE1-CA 3.5Å; F124-K359 HydrophobicContact CE1-CB 4.02Å; F124-K359 HydrophobicContact CE1-CD 4.26Å; F124-K359 HydrophobicContact CG-CD 4.15Å; F124-K359 PolarHBondContact O-NZ 3.18Å; P130-K359 PolarHBondContact O-N 3.25Å; K359-Y362 WeakPolarHBondContact O-CB 3.4Å; K359-Y362 PolarHBondContact O-N 3.03Å; K359-D363 VanDerWaalsContact CE-OD1 3.25Å; K359-D363 WeakPolarHBondContact CE-OD1 3.46Å; K359-D363 IonicContact NZ-OD1 2.86Å; K359-D363 PolarHBondContact NZ-OD1 3.15Å; K359-D363 PolarHBondContact O-N 2.85Å
360Q97.6Very high95.3Very high131 Ų13158.7 Ų58.761%0.61232%0.317SS*.Hα-helixtrans-62.3-49.4175.6-176.5-175.6-10.500112.3S358 Y362 D363 E364S358-Q360 PolarHBondContact O-N 3.44Å; Q360-Y362 PolarHBondContact O-N 3.18Å; Q360-D363 PolarHBondContact O-N 2.95Å; Q360-E364 PolarHBondContact NE2-OE1 2.71Å; Q360-E364 WeakPolarHBondContact O-CG 3.31Å; Q360-E364 PolarHBondContact O-N 2.93Å
361E97.8Very high95.6Very high49 Ų4955.9 Ų55.923%0.22929%0.294CS..Hα-helixtrans-61.4-35.5177.9-73.5167.5122.500111.8I357 S358 S365 I369 K373I357-E361 HydrophobicContact CG2-CB 4.44Å; S358-E361 PolarHBondContact N-OE2 3.31Å; S358-E361 PolarHBondContact O-N 2.92Å; S358-E361 VanDerWaalsContact O-N 3.15Å; S358-E361 VanDerWaalsContact OG-CG 3.31Å; S358-E361 WeakPolarHBondContact OG-CG 3.4Å; S358-E361 PolarHBondContact OG-N 2.91Å; S358-E361 PolarHBondContact OG-OE2 3.15Å; E361-S365 WeakPolarHBondContact O-CB 3.36Å; E361-S365 PolarHBondContact O-N 2.96Å; E361-I369 HydrophobicContact CB-CG1 4.45Å; E361-K373 WeakPolarHBondContact OE1-CE 3.21Å; E361-K373 IonicContact OE1-NZ 3.62Å; E361-K373 PolarHBondContact OE1-NZ 3.44Å; E361-K373 IonicContact OE2-NZ 2.71Å
362Y98.3Very high95.9Very high10 Ų1057.9 Ų57.94%0.03929%0.289CS..Hα-helixtrans-63.8-49.1172.6174.2-96.1000112.2T120 F124 E125 S358 K359 Q360 E364 S365 G366 P367 I369T120-Y362 HydrophobicContact CG2-CD2 3.8Å; T120-Y362 HydrophobicContact CG2-CE2 4Å; F124-Y362 HydrophobicContact CB-CD1 3.65Å; F124-Y362 HydrophobicContact CB-CD2 4.29Å; F124-Y362 HydrophobicContact CB-CE1 3.76Å; F124-Y362 HydrophobicContact CB-CE2 4.35Å; F124-Y362 HydrophobicContact CB-CG 3.93Å; F124-Y362 HydrophobicContact CD1-CG 4.5Å; F124-Y362 AromaticContact CD2-CD1 3.97Å; F124-Y362 HydrophobicContact CD2-CD1 3.97Å; F124-Y362 AromaticContact CD2-CD2 3.32Å; F124-Y362 HydrophobicContact CD2-CD2 3.32Å; F124-Y362 AromaticContact CD2-CE2 3.95Å; F124-Y362 HydrophobicContact CD2-CE2 3.95Å; F124-Y362 AromaticContact CD2-CG 3.31Å; F124-Y362 HydrophobicContact CD2-CG 3.31Å; F124-Y362 AromaticContact CE2-CD2 3.86Å; F124-Y362 HydrophobicContact CE2-CD2 3.86Å; F124-Y362 AromaticContact CE2-CG 3.83Å; F124-Y362 HydrophobicContact CE2-CG 3.83Å; F124-Y362 AromaticContact CG-CD1 3.88Å; F124-Y362 HydrophobicContact CG-CD1 3.88Å; F124-Y362 HydrophobicContact CG-CD2 4.08Å; F124-Y362 HydrophobicContact CG-CE1 4.43Å; F124-Y362 AromaticContact CG-CG 3.68Å; F124-Y362 HydrophobicContact CG-CG 3.68Å; E125-Y362 VanDerWaalsContact CD-OH 3.29Å; E125-Y362 HydrophobicContact CG-CE1 4.06Å; E125-Y362 PolarHBondContact OE1-OH 3.32Å; S358-Y362 PolarHBondContact O-N 3.21Å; K359-Y362 WeakPolarHBondContact O-CB 3.4Å; K359-Y362 PolarHBondContact O-N 3.03Å; Q360-Y362 PolarHBondContact O-N 3.18Å; Y362-E364 PolarHBondContact O-N 3.49Å; Y362-S365 PolarHBondContact O-N 3.31Å; Y362-G366 WeakPolarHBondContact O-CA 3.47Å; Y362-G366 PolarHBondContact O-N 2.58Å; Y362-P367 HydrophobicContact CE2-CB 4.32Å; Y362-P367 HydrophobicContact CE2-CG 3.88Å; Y362-I369 HydrophobicContact CD2-CG2 4.48Å
363D98.1Very high96.1Very high104 Ų10459.8 Ų59.856%0.55630%0.297SS*.Hα-helixtrans-63-29.2-178.8-66.7-22.7000111.5K359 Q360K359-D363 VanDerWaalsContact CE-OD1 3.25Å; K359-D363 WeakPolarHBondContact CE-OD1 3.46Å; K359-D363 IonicContact NZ-OD1 2.86Å; K359-D363 PolarHBondContact NZ-OD1 3.15Å; K359-D363 PolarHBondContact O-N 2.85Å; Q360-D363 PolarHBondContact O-N 2.95Å
364E97.6Very high96.3Very high137 Ų13756 Ų5664%0.6428%0.279SS*.Hα-helixtrans-80-39.6176.3-70.2175.4-166.400114Q360 Y362Q360-E364 PolarHBondContact NE2-OE1 2.71Å; Q360-E364 WeakPolarHBondContact O-CG 3.31Å; Q360-E364 PolarHBondContact O-N 2.93Å; Y362-E364 PolarHBondContact O-N 3.49Å
365S97.2Very high96Very high39 Ų3955.8 Ų55.827%0.27328%0.276SS..Hα-helixtrans-110.4-9.2-171.1-68.90000115E361 Y362 S368E361-S365 WeakPolarHBondContact O-CB 3.36Å; E361-S365 PolarHBondContact O-N 2.96Å; Y362-S365 PolarHBondContact O-N 3.31Å; S365-S368 PolarHBondContact O-OG 3.32Å
366G97.5Very high96.1Very high21 Ų2154.9 Ų54.922%0.21627%0.271CS..  trans63.6-169.3-171.600000113.9Y362 S368 I369Y362-G366 WeakPolarHBondContact O-CA 3.47Å; Y362-G366 PolarHBondContact O-N 2.58Å; G366-S368 PolarHBondContact O-N 3.19Å; G366-I369 WeakPolarHBondContact O-CG2 3.14Å; G366-I369 PolarHBondContact O-N 3.34Å
367P97.3Very high96.1Very high37 Ų3757 Ų5724%0.2428%0.283CS..G310 helixtrans-55.6-26.4-176.4-27.834.4000115.5E117 Q121 Y362 I369 V370E117-P367 HydrophobicContact CB-CB 3.76Å; E117-P367 HydrophobicContact CG-CB 4.08Å; Q121-P367 HydrophobicContact CB-CG 4.17Å; Y362-P367 HydrophobicContact CE2-CB 4.32Å; Y362-P367 HydrophobicContact CE2-CG 3.88Å; P367-I369 PolarHBondContact O-N 2.9Å; P367-I369 VanDerWaalsContact O-N 3.12Å; P367-V370 WeakPolarHBondContact O-CG1 3.16Å; P367-V370 PolarHBondContact O-N 2.72Å
368S97.4Very high96Very high44 Ų4460.2 Ų60.231%0.30830%0.299SS..G310 helixtrans-64.9-14.7-178750000114.3S365 G366 V370 H371S365-S368 PolarHBondContact O-OG 3.32Å; G366-S368 PolarHBondContact O-N 3.19Å; S368-V370 PolarHBondContact O-N 3.18Å; S368-H371 PolarHBondContact O-CD2 3.24Å; S368-H371 PolarHBondContact O-N 2.74Å; S368-H371 VanDerWaalsContact O-N 3.15Å
369I97.7Very high95.9Very high9 Ų961.5 Ų61.55%0.04630%0.301CS..G310 helixtrans-56-30.7177.6-170.657.6000112.7T120 I357 E361 Y362 G366 P367 H371 R372 K373T120-I369 HydrophobicContact CG2-CG2 4.34Å; I357-I369 HydrophobicContact CD1-CG2 4.32Å; I357-I369 HydrophobicContact CG2-CB 4.49Å; I357-I369 HydrophobicContact CG2-CG1 3.98Å; I357-I369 HydrophobicContact CG2-CG2 3.63Å; E361-I369 HydrophobicContact CB-CG1 4.45Å; Y362-I369 HydrophobicContact CD2-CG2 4.48Å; G366-I369 WeakPolarHBondContact O-CG2 3.14Å; G366-I369 PolarHBondContact O-N 3.34Å; P367-I369 PolarHBondContact O-N 2.9Å; P367-I369 VanDerWaalsContact O-N 3.12Å; I369-H371 PolarHBondContact O-N 3.33Å; I369-R372 HydrophobicContact CD1-CB 4.46Å; I369-R372 PolarHBondContact O-N 3.02Å; I369-K373 HydrophobicContact CD1-CG 4.38Å; I369-K373 HydrophobicContact CG1-CG 4.45Å; I369-K373 PolarHBondContact O-N 2.99Å
370V97.5Very high95.8Very high0 Ų061.8 Ų61.80%030%0.304CS..Hα-helixtrans-56.8-33.9178.771.70000112.7R116 E117 T120 V134 I357 P367 S368 R372 K373 C374R116-V370 HydrophobicContact CB-CG1 3.76Å; R116-V370 HydrophobicContact CB-CG2 4.26Å; E117-V370 HydrophobicContact CG-CG1 4.4Å; T120-V370 WeakPolarHBondContact OG1-CB 3.33Å; V134-V370 HydrophobicContact CB-CG2 4.36Å; V134-V370 HydrophobicContact CG2-CG2 4Å; I357-V370 HydrophobicContact CD1-CB 4.2Å; I357-V370 HydrophobicContact CD1-CG2 4.29Å; P367-V370 WeakPolarHBondContact O-CG1 3.16Å; P367-V370 PolarHBondContact O-N 2.72Å; S368-V370 PolarHBondContact O-N 3.18Å; V370-R372 PolarHBondContact O-N 3.49Å; V370-K373 PolarHBondContact O-N 3.22Å; V370-C374 HydrophobicContact CG2-CB 4.04Å; V370-C374 WeakPolarHBondContact O-CB 3.38Å; V370-C374 PolarHBondContact O-N 3.06Å
371H96.1Very high95.6Very high41 Ų4157.2 Ų57.219%0.1928%0.284CS..Hα-helixtrans-74.4-14.1179.4-53.3-53000113.7K113 E117 S368 I369K113-H371 VanDerWaalsContact CB-CE1 3.47Å; K113-H371 WeakPolarHBondContact CB-CE1 3.03Å; K113-H371 PolarHBondContact O-CE1 3.14Å; E117-H371 WeakPolarHBondContact CG-NE2 3.28Å; E117-H371 IonicContact OE1-CD2 3.49Å; E117-H371 PolarHBondContact OE1-CD2 3.19Å; E117-H371 IonicContact OE1-CE1 3.87Å; E117-H371 IonicContact OE1-NE2 2.74Å; E117-H371 PolarHBondContact OE1-NE2 3.23Å; S368-H371 PolarHBondContact O-CD2 3.24Å; S368-H371 PolarHBondContact O-N 2.74Å; S368-H371 VanDerWaalsContact O-N 3.15Å; I369-H371 PolarHBondContact O-N 3.33Å
372R93.8Very high95.5Very high151 Ų15157.8 Ų57.857%0.5729%0.287SS*.Hα-helixtrans-98.2-20179.2-56.5-175.5-165.6158.87113.1I369 V370 F375I369-R372 HydrophobicContact CD1-CB 4.46Å; I369-R372 PolarHBondContact O-N 3.02Å; V370-R372 PolarHBondContact O-N 3.49Å; R372-F375 WeakPolarHBondContact O-CE2 3.44Å; R372-F375 WeakPolarHBondContact O-CZ 3.19Å
373K93.3Very high95.3Very high50 Ų5061.5 Ų61.522%0.21731%0.307CS..Hα-helixtrans-114.6-32.3-173.1-74.5-81.1-169.1141.20113.1Y133 I357 E361 I369 V370Y133-K373 WeakPolarHBondContact CE2-O 3.41Å; I357-K373 HydrophobicContact CD1-CB 4.08Å; I357-K373 HydrophobicContact CG1-CB 3.72Å; I357-K373 HydrophobicContact CG1-CG 4.1Å; E361-K373 WeakPolarHBondContact OE1-CE 3.21Å; E361-K373 IonicContact OE1-NZ 3.62Å; E361-K373 PolarHBondContact OE1-NZ 3.44Å; E361-K373 IonicContact OE2-NZ 2.71Å; I369-K373 HydrophobicContact CD1-CG 4.38Å; I369-K373 HydrophobicContact CG1-CG 4.45Å; I369-K373 PolarHBondContact O-N 2.99Å; V370-K373 PolarHBondContact O-N 3.22Å
374C92.4Very high95Very high0 Ų057.9 Ų57.90%029%0.286CS..  trans-107.7101-178.4-57.30000109.6R116 Y133 V134 V370R116-C374 VanDerWaalsContact CZ-O 3.31Å; R116-C374 PolarHBondContact NH1-O 3.02Å; R116-C374 PolarHBondContact NH2-O 3.31Å; Y133-C374 WeakPolarHBondContact CD2-SG 3.27Å; Y133-C374 HydrophobicContact CE2-CB 4.27Å; Y133-C374 VanDerWaalsContact CE2-SG 3.5Å; V134-C374 HydrophobicContact CB-CB 4.4Å; V134-C374 PolarHBondContact N-SG 3.29Å; V134-C374 VanDerWaalsContact N-SG 3.38Å; V134-C374 WeakPolarHBondContact O-CB 3.42Å; V370-C374 HydrophobicContact CG2-CB 4.04Å; V370-C374 WeakPolarHBondContact O-CB 3.38Å; V370-C374 PolarHBondContact O-N 3.06Å
375F82.7Confident94.8Very high166 Ų16650.7 Ų50.773%0.72825%0.253SS*.  trans-98.80-178.4-62.7-74.3000113.2R372R372-F375 WeakPolarHBondContact O-CE2 3.44Å; R372-F375 WeakPolarHBondContact O-CZ 3.19Å

Retrieved 375 of 375 residues in 87.5 ms (Link to these results)

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