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Eukaryotic translation initiation factor 3 subunit I

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB , UniProt , Accession A0A060YJK1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene eif3i, Length 332 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
1M33Very low58.9Low197 Ų19794.5 Ų94.597%0.9751%0.505SS*.  0113.50-73.5159.6-171.600106Y3M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE1 4.15Å; M1-Y3 HydrophobicContact CB-CE2 3.57Å; M1-Y3 VanDerWaalsContact CB-CZ 3.49Å; M1-Y3 VanDerWaalsContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CE2 3.43Å; M1-Y3 PolarHBondContact O-N 3.22Å; M1-Y3 PolarHBondContact SD-OH 2.84Å
2S30Very low61.6Low127 Ų12792.8 Ų92.889%0.88850%0.496SS*.  trans-84.196.5-177.852.60000108.5S4S2-S4 PolarHBondContact O-N 3.25Å
3Y43.1Very low64.1Low145 Ų14586 Ų8657%0.56946%0.459SS*.PPolyproline II helixtrans-77.8117.7178.3-59.3-77.2000108.5M1 C5M1-Y3 HydrophobicContact CB-CD2 4.29Å; M1-Y3 HydrophobicContact CB-CE1 4.15Å; M1-Y3 HydrophobicContact CB-CE2 3.57Å; M1-Y3 VanDerWaalsContact CB-CZ 3.49Å; M1-Y3 VanDerWaalsContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CD2 3.26Å; M1-Y3 WeakPolarHBondContact O-CE2 3.43Å; M1-Y3 PolarHBondContact O-N 3.22Å; M1-Y3 PolarHBondContact SD-OH 2.84Å; Y3-C5 PolarHBondContact O-N 3.17Å
4S46.7Very low66Low107 Ų10788.9 Ų88.975%0.74847%0.468SS*.PPolyproline II helixtrans-73116.9173.651.90000108.3S2 A6S2-S4 PolarHBondContact O-N 3.25Å; S4-A6 PolarHBondContact O-N 2.9Å; S4-A6 VanDerWaalsContact O-N 3.12Å
5C52.8Low67.4Low21 Ų2184.9 Ų84.914%0.14246%0.457CS..PPolyproline II helixtrans-48.7118.7167.9-179.50000108.7Y3 L7 V288 Y325Y3-C5 PolarHBondContact O-N 3.17Å; C5-L7 PolarHBondContact O-N 2.63Å; C5-V288 HydrophobicContact CB-CG2 4.28Å; C5-Y325 WeakPolarHBondContact SG-CD2 3.45Å; C5-Y325 WeakPolarHBondContact SG-CE2 3.42Å
6A56.7Low69Low27 Ų2780.4 Ų80.422%0.22343%0.433CS..  trans-69.795.7-178.400000108.8S4 D322 Q324S4-A6 PolarHBondContact O-N 2.9Å; S4-A6 VanDerWaalsContact O-N 3.12Å; A6-D322 HydrophobicContact CB-CB 4.18Å; A6-D322 PolarHBondContact O-N 3.44Å; A6-Q324 HydrophobicContact CB-CB 4.34Å
7L62.9Low70.3Confident35 Ų3586.9 Ų86.918%0.18346%0.459CS..BIsolated β-bridgetrans-115.2140.2179.1-72.7176.8000110C5 V288 Y307 H319 F321C5-L7 PolarHBondContact O-N 2.63Å; L7-V288 HydrophobicContact CD1-CB 3.96Å; L7-V288 HydrophobicContact CD1-CG1 3.42Å; L7-V288 VanDerWaalsContact CD1-CG1 3.42Å; L7-V288 HydrophobicContact CD1-CG2 3.28Å; L7-V288 HydrophobicContact CG-CG2 4.49Å; L7-Y307 HydrophobicContact CD1-CE1 4.06Å; L7-Y307 HydrophobicContact CD2-CE1 4.3Å; L7-H319 HydrophobicContact CD1-CB 4.33Å; L7-H319 HydrophobicContact CD2-CB 4.28Å; L7-F321 HydrophobicContact CD2-CD1 3.24Å; L7-F321 HydrophobicContact CD2-CE1 3.59Å; L7-F321 HydrophobicContact CD2-CG 4.13Å
8Q67.3Low71.6Confident88 Ų8890.5 Ų90.541%0.41147%0.466SS..PPolyproline II helixtrans-63.1158.5165.4-64.2-172.5-0.800110.1P10 H320 D322Q8-P10 WeakPolarHBondContact O-CD 3.39Å; Q8-P10 VanDerWaalsContact O-N 3.12Å; Q8-H320 HydrophobicContact CB-CB 4.27Å; Q8-H320 PolarHBondContact N-O 3.19Å; Q8-D322 WeakPolarHBondContact CG-OD1 3.48Å; Q8-D322 PolarHBondContact N-OD2 2.97Å; Q8-D322 PolarHBondContact NE2-OD1 2.99Å
9K78.3Confident72.7Confident192 Ų19286.6 Ų86.684%0.83545%0.447SS*.PPolyproline II helixtrans-54.3122.9174.9-172.6179-179.8-176.30108.8
10P86.7Confident73.9Confident53 Ų5382.3 Ų82.334%0.34443%0.425SS..PPolyproline II helixtrans-66.4141.7-175.124.4-32.7000111Q8 I318Q8-P10 WeakPolarHBondContact O-CD 3.39Å; Q8-P10 VanDerWaalsContact O-N 3.12Å; P10-I318 CarbonylContact C-O 3.6Å; P10-I318 WeakPolarHBondContact CA-O 3.28Å; P10-I318 WeakPolarHBondContact CB-O 3.43Å
11I90.6Very high74.9Confident48 Ų4879.5 Ų79.525%0.24641%0.412CS..EExtended strand (participates in β ladder)trans-80.8123.1171.1-53.1176.3000107.2L13 R317 I318I11-L13 HydrophobicContact CG2-CD2 4.06Å; I11-R317 WeakPolarHBondContact O-CA 3.42Å; I11-I318 HydrophobicContact CB-CB 4.24Å; I11-I318 PolarHBondContact N-O 3.46Å; I11-I318 PolarHBondContact O-N 3.39Å
12L91.8Very high77.9Confident74 Ų7471.6 Ų71.639%0.38737%0.373SS..EExtended strand (participates in β ladder)trans-97.3113.5-179.8-168.7104.3000109.3Q14 Y315 R317L12-Q14 HydrophobicContact CD2-CG 3.56Å; L12-Q14 HydrophobicContact CG-CG 4.38Å; L12-Y315 HydrophobicContact CD1-CG 4.25Å; L12-Y315 HydrophobicContact CD2-CD1 4.14Å; L12-Y315 HydrophobicContact CD2-CE1 4.47Å; L12-Y315 HydrophobicContact CD2-CG 4.37Å; L12-Y315 HydrophobicContact CG-CD1 4.48Å; L12-Y315 HydrophobicContact CG-CG 4.43Å; L12-R317 HydrophobicContact CD1-CG 3.9Å
13L93.1Very high81Confident4 Ų465.7 Ų65.72%0.02133%0.331CS..EExtended strand (participates in β ladder)trans-89.4115.5176.4-47.6179.9000109.1I11 W44 G49 T316 I318I11-L13 HydrophobicContact CG2-CD2 4.06Å; L13-W44 HydrophobicContact CB-CD2 4.17Å; L13-W44 HydrophobicContact CB-CE3 4.15Å; L13-W44 HydrophobicContact CB-CH2 4.31Å; L13-W44 HydrophobicContact CB-CZ2 4.32Å; L13-W44 HydrophobicContact CB-CZ3 4.2Å; L13-W44 HydrophobicContact CD1-CB 4.01Å; L13-W44 HydrophobicContact CD1-CD2 3.88Å; L13-W44 HydrophobicContact CD1-CE3 4.36Å; L13-W44 HydrophobicContact CD1-CG 3.69Å; L13-W44 HydrophobicContact CD2-CD2 4.42Å; L13-W44 HydrophobicContact CD2-CE3 4.06Å; L13-W44 HydrophobicContact CG-CD2 4.39Å; L13-W44 HydrophobicContact CG-CE3 4.42Å; L13-G49 VanDerWaalsContact CD2-CA 3.44Å; L13-G49 WeakPolarHBondContact CD2-O 3.21Å; L13-T316 HydrophobicContact CD1-CG2 3.79Å; L13-T316 HydrophobicContact CG-CG2 4.46Å; L13-T316 PolarHBondContact N-O 3.09Å; L13-T316 PolarHBondContact O-N 3.41Å; L13-I318 HydrophobicContact CD1-CD1 3.89Å; L13-I318 HydrophobicContact CD1-CG1 3.92Å; L13-I318 HydrophobicContact CD2-CD1 3.94Å; L13-I318 HydrophobicContact CD2-CG1 4.38Å; L13-I318 HydrophobicContact CG-CD1 4.19Å; L13-I318 HydrophobicContact CG-CG1 4.16Å
14Q90.6Very high83.5Confident126 Ų12661 Ų6159%0.58931%0.313SS*.  trans-107.8104.3176.5-58.4-168.7-20.500109.4L12 Y315L12-Q14 HydrophobicContact CD2-CG 3.56Å; L12-Q14 HydrophobicContact CG-CG 4.38Å; Q14-Y315 HydrophobicContact CB-CD1 4.46Å; Q14-Y315 HydrophobicContact CB-CE1 4.36Å; Q14-Y315 HydrophobicContact CG-CD1 3.79Å; Q14-Y315 HydrophobicContact CG-CE1 3.7Å
15G88.3Confident85.9Confident29 Ų2956.8 Ų56.830%0.29928%0.281SS..  trans-156.1-6.1174.600000114.8N42G15-N42 VanDerWaalsContact C-ND2 3.32Å; G15-N42 PolarHBondContact O-ND2 3.39Å
16H92.7Very high87.8Confident14 Ų1455.9 Ų55.97%0.06528%0.275CS..  trans-110.8142.9174.1-69.5-69.6000109.5I20 S34 A36 D38 V40 N42H16-I20 HydrophobicContact CB-CD1 3.71Å; H16-I20 VanDerWaalsContact CD2-CD1 3.4Å; H16-I20 WeakPolarHBondContact CD2-CD1 3.25Å; H16-S34 PolarHBondContact CD2-OG 3.17Å; H16-S34 PolarHBondContact NE2-O 3.14Å; H16-S34 PolarHBondContact NE2-OG 3.08Å; H16-A36 HydrophobicContact CB-CB 3.94Å; H16-A36 WeakPolarHBondContact ND1-CB 3.4Å; H16-D38 WeakPolarHBondContact CA-OD2 3.44Å; H16-D38 VanDerWaalsContact CB-OD2 3.22Å; H16-D38 WeakPolarHBondContact CB-OD2 3.44Å; H16-D38 IonicContact CG-OD2 3.4Å; H16-D38 IonicContact ND1-OD2 2.83Å; H16-D38 PolarHBondContact ND1-OD2 2.98Å; H16-D38 VanDerWaalsContact ND1-OD2 3.17Å; H16-V40 PolarHBondContact CE1-O 3.48Å; H16-V40 VanDerWaalsContact CE1-O 3.31Å; H16-N42 PolarHBondContact CD2-ND2 3.2Å; H16-N42 PolarHBondContact CE1-ND2 3.45Å; H16-N42 PolarHBondContact ND1-ND2 2.88Å; H16-N42 PolarHBondContact NE2-ND2 2.97Å
17E91Very high89.4Confident190 Ų19059 Ų5989%0.88828%0.281SS*.SBendtrans-98-14.6176-65.4-172.3171.300111.6D38E17-D38 PolarHBondContact N-OD2 3.38Å
18R93.4Very high90.7Very high152 Ų15264.4 Ų64.457%0.57431%0.305SS*.SBendtrans-122.5168.6179.5-62.9176.1172.6-163.5-1.8111.8I20 K37 D38 G314R18-I20 PolarHBondContact O-N 2.85Å; R18-K37 HydrophobicContact CB-CB 4Å; R18-K37 WeakPolarHBondContact CD-O 3.19Å; R18-K37 PolarHBondContact NH1-O 2.81Å; R18-D38 WeakPolarHBondContact CB-OD1 3.1Å; R18-D38 VanDerWaalsContact CD-OD1 3.26Å; R18-D38 WeakPolarHBondContact CD-OD1 3.46Å; R18-D38 WeakPolarHBondContact CG-OD1 3.48Å; R18-D38 PolarHBondContact N-OD1 2.82Å; R18-D38 PolarHBondContact N-OD2 2.89Å; R18-G314 WeakPolarHBondContact O-CA 3.33Å
19S92.9Very high91.9Very high17 Ų1760.2 Ų60.212%0.11929%0.286CS..  trans-49.4130.1179.5-47.80000112.7A36 K37 E312S19-A36 CarbonylContact O-C 3.59Å; S19-A36 VanDerWaalsContact O-CA 3.27Å; S19-A36 WeakPolarHBondContact O-CA 3.3Å; S19-A36 WeakPolarHBondContact O-CB 3.16Å; S19-K37 PolarHBondContact O-N 3.33Å; S19-E312 WeakPolarHBondContact CA-O 3.26Å; S19-E312 WeakPolarHBondContact CB-O 3.36Å; S19-E312 WeakPolarHBondContact OG-CG 3.42Å; S19-E312 PolarHBondContact OG-O 3.37Å
20I96.1Very high92.7Very high0 Ų054.3 Ų54.30%026%0.263CS..EExtended strand (participates in β ladder)trans-66.3135.9173.9-52.3-55.4000108.7H16 R18 I23 V35 A36 N296 G311H16-I20 HydrophobicContact CB-CD1 3.71Å; H16-I20 VanDerWaalsContact CD2-CD1 3.4Å; H16-I20 WeakPolarHBondContact CD2-CD1 3.25Å; R18-I20 PolarHBondContact O-N 2.85Å; I20-I23 HydrophobicContact CG2-CD1 4.13Å; I20-I23 HydrophobicContact CG2-CG1 3.86Å; I20-V35 WeakPolarHBondContact CG2-O 3.15Å; I20-A36 HydrophobicContact CD1-CB 4.07Å; I20-N296 VanDerWaalsContact O-CB 3.26Å; I20-N296 WeakPolarHBondContact O-CB 3.47Å; I20-N296 PolarHBondContact O-ND2 3.39Å; I20-G311 PolarHBondContact N-O 3.17Å; I20-G311 VanDerWaalsContact N-O 3.09Å
21T95Very high93.1Very high24 Ų2452.2 Ų52.215%0.14725%0.249CC..EExtended strand (participates in β ladder)trans-103.9-44.4-179.946.40000111.2V35 A36 K37 L62 W63T21-V35 PolarHBondContact N-O 3.12Å; T21-V35 VanDerWaalsContact OG1-C 3.28Å; T21-V35 PolarHBondContact OG1-O 3Å; T21-V35 VanDerWaalsContact OG1-O 3.1Å; T21-A36 PolarHBondContact OG1-N 2.84Å; T21-K37 HydrophobicContact CG2-CG 3.77Å; T21-L62 WeakPolarHBondContact CB-O 3.34Å; T21-L62 WeakPolarHBondContact CG2-O 3.42Å; T21-L62 PolarHBondContact OG1-O 2.81Å; T21-W63 HydrophobicContact CG2-CE3 3.78Å; T21-W63 HydrophobicContact CG2-CZ3 3.93Å
22Q95.4Very high93.4Very high31 Ų3150 Ų5015%0.14524%0.237CC..EExtended strand (participates in β ladder)trans-148.7149.3177-162.7173.11600111.6V35 V65Q22-V35 HydrophobicContact CB-CG2 3.72Å; Q22-V35 PolarHBondContact N-O 3.02Å; Q22-V35 WeakPolarHBondContact O-CG2 3.36Å; Q22-V35 PolarHBondContact O-N 2.88Å; Q22-V65 VanDerWaalsContact OE1-N 3.07Å; Q22-V65 PolarHBondContact OE1-O 2.95Å
23I96.2Very high93.6Very high2 Ų246.5 Ų46.51%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-126.5137169.9-65.4161.7000107.8I20 I32 F33 C297 A299 G310 T316I20-I23 HydrophobicContact CG2-CD1 4.13Å; I20-I23 HydrophobicContact CG2-CG1 3.86Å; I23-I32 HydrophobicContact CG2-CG2 3.62Å; I23-F33 WeakPolarHBondContact CA-O 3.33Å; I23-C297 VanDerWaalsContact CG1-SG 3.59Å; I23-A299 HydrophobicContact CG2-CB 4.23Å; I23-G310 VanDerWaalsContact CD1-CA 3.46Å; I23-T316 HydrophobicContact CD1-CG2 3.54Å; I23-T316 HydrophobicContact CG1-CG2 4.25Å
24K95.7Very high93.7Very high47 Ų4746.3 Ų46.320%0.20422%0.218CC..EExtended strand (participates in β ladder)trans-135.3139.8172.4-78.7-66.6-168.6168.50110.5F33 V65K24-F33 PolarHBondContact N-O 2.83Å; K24-F33 PolarHBondContact O-N 3.08Å; K24-V65 HydrophobicContact CB-CG1 4.42Å; K24-V65 HydrophobicContact CG-CG1 4.48Å; K24-V65 VanDerWaalsContact CG-O 3.29Å; K24-V65 WeakPolarHBondContact CG-O 3.27Å
25Y95.6Very high94Very high19 Ų1940.3 Ų40.38%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-89.9150.5165.5-74.6-94.6000109.1L31 I32 A299 F300 H301 S308Y25-L31 WeakPolarHBondContact CA-O 3.46Å; Y25-I32 HydrophobicContact CD1-CD1 4.29Å; Y25-I32 HydrophobicContact CD1-CG1 3.6Å; Y25-I32 HydrophobicContact CE1-CD1 3.47Å; Y25-I32 VanDerWaalsContact CE1-CD1 3.47Å; Y25-I32 HydrophobicContact CE1-CG1 3.3Å; Y25-I32 HydrophobicContact CG-CG1 4.37Å; Y25-A299 HydrophobicContact CD2-CB 3.91Å; Y25-A299 HydrophobicContact CE2-CB 3.99Å; Y25-A299 WeakPolarHBondContact CE2-O 3.21Å; Y25-F300 WeakPolarHBondContact CD2-O 3.39Å; Y25-H301 HydrophobicContact CD1-CB 4.19Å; Y25-H301 AromaticContact CD1-CD2 3.74Å; Y25-H301 HydrophobicContact CE1-CB 3.85Å; Y25-H301 AromaticContact CE1-CD2 3.53Å; Y25-H301 AromaticContact CE1-CG 3.99Å; Y25-H301 HydrophobicContact CE2-CB 4.44Å; Y25-S308 WeakPolarHBondContact OH-CB 3.24Å; Y25-S308 PolarHBondContact OH-N 2.89Å; Y25-S308 PolarHBondContact OH-OG 2.68Å
26N94.3Very high94.4Very high2 Ų239 Ų391%0.01118%0.176CC..  trans-73.7172161.676.6-39.8000111.2G29 D30 L31 F33 C67 T71 P302N26-G29 PolarHBondContact O-N 2.86Å; N26-G29 VanDerWaalsContact OD1-C 3.28Å; N26-G29 WeakPolarHBondContact OD1-CA 3.49Å; N26-G29 PolarHBondContact OD1-N 3.2Å; N26-D30 PolarHBondContact ND2-OD1 2.94Å; N26-D30 PolarHBondContact OD1-N 2.66Å; N26-D30 PolarHBondContact OD1-OD1 2.5Å; N26-L31 HydrophobicContact CB-CB 4.45Å; N26-L31 PolarHBondContact N-O 2.91Å; N26-L31 VanDerWaalsContact N-O 3.15Å; N26-L31 PolarHBondContact OD1-N 3.35Å; N26-L31 PolarHBondContact OD1-O 3.27Å; N26-F33 HydrophobicContact CB-CE2 4.15Å; N26-C67 VanDerWaalsContact CA-SG 3.54Å; N26-T71 HydrophobicContact CB-CG2 3.81Å; N26-T71 PolarHBondContact ND2-OG1 3.46Å; N26-T71 VanDerWaalsContact ND2-OG1 3.14Å; N26-P302 WeakPolarHBondContact O-CG 3.42Å
27R89.7Confident94.5Very high93 Ų9341.6 Ų41.635%0.35119%0.188SC..SBendtrans-69.4-36.1-175.3-170.963.3-178.4-166.4-1113.3G29 W69 V205 P302R27-G29 PolarHBondContact O-N 3.16Å; R27-W69 HydrophobicContact CG-CE3 3.9Å; R27-W69 HydrophobicContact CG-CZ3 3.89Å; R27-W69 VanDerWaalsContact CZ-CH2 3.49Å; R27-V205 PolarHBondContact NH1-O 3.07Å; R27-V205 VanDerWaalsContact NH2-CG1 3.31Å; R27-V205 PolarHBondContact NH2-O 2.99Å; R27-P302 WeakPolarHBondContact O-CB 3.15Å; R27-P302 WeakPolarHBondContact O-CG 3.47Å
28E90.8Very high94.5Very high148 Ų14833.6 Ų33.669%0.69215%0.151SC*.SBendtrans-71.3-21.1174.8-59-56.6137.300111.9D30E28-D30 PolarHBondContact O-N 3.15Å
29G92Very high94.5Very high0 Ų029.4 Ų29.40%014%0.142CC..SBendtrans80.1-4.8176.800000114.6N26 R27 L31 S46 H301N26-G29 PolarHBondContact O-N 2.86Å; N26-G29 VanDerWaalsContact OD1-C 3.28Å; N26-G29 WeakPolarHBondContact OD1-CA 3.49Å; N26-G29 PolarHBondContact OD1-N 3.2Å; R27-G29 PolarHBondContact O-N 3.16Å; G29-L31 VanDerWaalsContact C-N 3.26Å; G29-L31 PolarHBondContact O-N 3.14Å; G29-S46 WeakPolarHBondContact O-CB 3.27Å; G29-S46 PolarHBondContact O-OG 3.2Å; G29-H301 VanDerWaalsContact C-NE2 3.27Å; G29-H301 WeakPolarHBondContact CA-NE2 3.25Å; G29-H301 PolarHBondContact O-CD2 2.82Å; G29-H301 PolarHBondContact O-NE2 3.34Å
30D94Very high94.6Very high67 Ų6730.1 Ų30.136%0.35815%0.146SC..SBendtrans-68.5-23178.165.5-40.9000113.3N26 E28 Y45 S46N26-D30 PolarHBondContact ND2-OD1 2.94Å; N26-D30 PolarHBondContact OD1-N 2.66Å; N26-D30 PolarHBondContact OD1-OD1 2.5Å; E28-D30 PolarHBondContact O-N 3.15Å; D30-Y45 CarbonylContact O-C 3.56Å; D30-Y45 WeakPolarHBondContact O-CA 3.3Å; D30-S46 PolarHBondContact O-N 2.78Å; D30-S46 PolarHBondContact O-OG 2.88Å
31L95.6Very high94.6Very high10 Ų1030.3 Ų30.35%0.05215%0.147CC..EExtended strand (participates in β ladder)trans-117.3143.5-179.4-61.2-179000113.4Y25 N26 G29 F33 V43 W44 Y45 L52 T71Y25-L31 WeakPolarHBondContact CA-O 3.46Å; N26-L31 HydrophobicContact CB-CB 4.45Å; N26-L31 PolarHBondContact N-O 2.91Å; N26-L31 VanDerWaalsContact N-O 3.15Å; N26-L31 PolarHBondContact OD1-N 3.35Å; N26-L31 PolarHBondContact OD1-O 3.27Å; G29-L31 VanDerWaalsContact C-N 3.26Å; G29-L31 PolarHBondContact O-N 3.14Å; L31-F33 HydrophobicContact CB-CE2 4.41Å; L31-F33 HydrophobicContact CB-CZ 4.48Å; L31-F33 HydrophobicContact CD1-CZ 4.46Å; L31-V43 HydrophobicContact CB-CG1 4.39Å; L31-V43 HydrophobicContact CD1-CG1 4.39Å; L31-V43 HydrophobicContact CD2-CG1 4.29Å; L31-W44 CarbonylContact C-O 3.59Å; L31-W44 WeakPolarHBondContact CA-O 3.08Å; L31-Y45 HydrophobicContact CD2-CD1 3.62Å; L31-Y45 HydrophobicContact CD2-CE1 3.67Å; L31-Y45 HydrophobicContact CD2-CG 4.37Å; L31-L52 HydrophobicContact CD1-CD2 4.15Å; L31-L52 HydrophobicContact CD2-CD2 3.73Å; L31-T71 HydrophobicContact CD1-CG2 3.89Å
32I96.3Very high94.6Very high0 Ų029.3 Ų29.30%014%0.141CC..EExtended strand (participates in β ladder)trans-120.1124.1172.2-59.3174000108.6I23 Y25 V43 W44 I318I23-I32 HydrophobicContact CG2-CG2 3.62Å; Y25-I32 HydrophobicContact CD1-CD1 4.29Å; Y25-I32 HydrophobicContact CD1-CG1 3.6Å; Y25-I32 HydrophobicContact CE1-CD1 3.47Å; Y25-I32 VanDerWaalsContact CE1-CD1 3.47Å; Y25-I32 HydrophobicContact CE1-CG1 3.3Å; Y25-I32 HydrophobicContact CG-CG1 4.37Å; I32-V43 WeakPolarHBondContact O-CA 3.26Å; I32-W44 HydrophobicContact CB-CB 4.38Å; I32-W44 PolarHBondContact N-O 2.82Å; I32-W44 PolarHBondContact O-N 2.9Å; I32-I318 HydrophobicContact CD1-CD1 3.52Å; I32-I318 HydrophobicContact CD1-CG1 3.79Å
33F96.6Very high94.6Very high2 Ų227.9 Ų27.91%0.00913%0.134CC..EExtended strand (participates in β ladder)trans-94.7126.2168.6-58.3-81.5000109I23 K24 N26 L31 V43 Y55 V65 C67 V74I23-F33 WeakPolarHBondContact CA-O 3.33Å; K24-F33 PolarHBondContact N-O 2.83Å; K24-F33 PolarHBondContact O-N 3.08Å; N26-F33 HydrophobicContact CB-CE2 4.15Å; L31-F33 HydrophobicContact CB-CE2 4.41Å; L31-F33 HydrophobicContact CB-CZ 4.48Å; L31-F33 HydrophobicContact CD1-CZ 4.46Å; F33-V43 HydrophobicContact CD1-CB 4.35Å; F33-V43 HydrophobicContact CD1-CG1 4.02Å; F33-V43 HydrophobicContact CD1-CG2 3.61Å; F33-V43 HydrophobicContact CE1-CB 4.33Å; F33-V43 HydrophobicContact CE1-CG1 3.7Å; F33-V43 HydrophobicContact CE1-CG2 3.66Å; F33-V43 HydrophobicContact CZ-CG1 4.3Å; F33-Y55 HydrophobicContact CD1-CE2 4.21Å; F33-Y55 HydrophobicContact CE1-CE2 4.15Å; F33-V65 HydrophobicContact CB-CG1 4.03Å; F33-V65 HydrophobicContact CB-CG2 3.93Å; F33-V65 HydrophobicContact CG-CG2 4.44Å; F33-C67 HydrophobicContact CD2-CB 3.97Å; F33-C67 HydrophobicContact CE2-CB 3.51Å; F33-C67 HydrophobicContact CZ-CB 4.1Å; F33-V74 HydrophobicContact CD1-CG1 4.14Å; F33-V74 HydrophobicContact CD1-CG2 4.17Å; F33-V74 HydrophobicContact CE1-CG1 4.27Å; F33-V74 HydrophobicContact CE1-CG2 3.47Å; F33-V74 VanDerWaalsContact CE1-CG2 3.47Å; F33-V74 HydrophobicContact CZ-CG2 3.71Å
34S96.3Very high94.6Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-122.4132.3173.368.40000110.6H16 N42 W44H16-S34 PolarHBondContact CD2-OG 3.17Å; H16-S34 PolarHBondContact NE2-O 3.14Å; H16-S34 PolarHBondContact NE2-OG 3.08Å; S34-N42 PolarHBondContact N-O 2.88Å; S34-N42 PolarHBondContact O-N 3.28Å; S34-W44 PolarHBondContact OG-NE1 3Å
35V96.4Very high94.6Very high0 Ų030.3 Ų30.30%014%0.143CC..EExtended strand (participates in β ladder)trans-123.7150.7172.7-69.60000110.6I20 T21 Q22 A41 L62 V65I20-V35 WeakPolarHBondContact CG2-O 3.15Å; T21-V35 PolarHBondContact N-O 3.12Å; T21-V35 VanDerWaalsContact OG1-C 3.28Å; T21-V35 PolarHBondContact OG1-O 3Å; T21-V35 VanDerWaalsContact OG1-O 3.1Å; Q22-V35 HydrophobicContact CB-CG2 3.72Å; Q22-V35 PolarHBondContact N-O 3.02Å; Q22-V35 WeakPolarHBondContact O-CG2 3.36Å; Q22-V35 PolarHBondContact O-N 2.88Å; V35-A41 HydrophobicContact CG1-CB 3.64Å; V35-L62 HydrophobicContact CB-CB 3.82Å; V35-L62 HydrophobicContact CB-CD2 4.32Å; V35-L62 HydrophobicContact CG1-CB 4.05Å; V35-L62 HydrophobicContact CG1-CD2 3.63Å; V35-V65 HydrophobicContact CB-CB 4.48Å; V35-V65 HydrophobicContact CB-CG1 4.38Å; V35-V65 HydrophobicContact CG1-CB 3.64Å; V35-V65 HydrophobicContact CG1-CG1 3.89Å; V35-V65 HydrophobicContact CG1-CG2 4.29Å; V35-V65 HydrophobicContact CG2-CB 3.99Å; V35-V65 HydrophobicContact CG2-CG1 3.68Å
36A95.8Very high94.4Very high0 Ų029.5 Ų29.50%014%0.14CC..EExtended strand (participates in β ladder)trans-139.3178-175.600000110.1H16 S19 I20 T21 D38 L62H16-A36 HydrophobicContact CB-CB 3.94Å; H16-A36 WeakPolarHBondContact ND1-CB 3.4Å; S19-A36 CarbonylContact O-C 3.59Å; S19-A36 VanDerWaalsContact O-CA 3.27Å; S19-A36 WeakPolarHBondContact O-CA 3.3Å; S19-A36 WeakPolarHBondContact O-CB 3.16Å; I20-A36 HydrophobicContact CD1-CB 4.07Å; T21-A36 PolarHBondContact OG1-N 2.84Å; A36-D38 HydrophobicContact CB-CB 4.22Å; A36-D38 PolarHBondContact O-N 3.49Å; A36-D38 VanDerWaalsContact O-O 3.11Å; A36-L62 CarbonylContact C-O 3.34Å; A36-L62 PolarHBondContact O-N 2.77Å
37K94.9Very high94.2Very high70 Ų7034.7 Ų34.730%0.30417%0.171SC..SBendtrans-67.27.5167.1-59.9178.2-1761690113.7R18 S19 T21 A61R18-K37 HydrophobicContact CB-CB 4Å; R18-K37 WeakPolarHBondContact CD-O 3.19Å; R18-K37 PolarHBondContact NH1-O 2.81Å; S19-K37 PolarHBondContact O-N 3.33Å; T21-K37 HydrophobicContact CG2-CG 3.77Å; K37-A61 HydrophobicContact CB-CB 4.23Å
38D92.5Very high94.1Very high22 Ų2233.9 Ų33.912%0.11817%0.174CC..SBendtrans-76172.5165.7-63.8-30000110.5H16 E17 R18 A36 V40 A61 L62H16-D38 WeakPolarHBondContact CA-OD2 3.44Å; H16-D38 VanDerWaalsContact CB-OD2 3.22Å; H16-D38 WeakPolarHBondContact CB-OD2 3.44Å; H16-D38 IonicContact CG-OD2 3.4Å; H16-D38 IonicContact ND1-OD2 2.83Å; H16-D38 PolarHBondContact ND1-OD2 2.98Å; H16-D38 VanDerWaalsContact ND1-OD2 3.17Å; E17-D38 PolarHBondContact N-OD2 3.38Å; R18-D38 WeakPolarHBondContact CB-OD1 3.1Å; R18-D38 VanDerWaalsContact CD-OD1 3.26Å; R18-D38 WeakPolarHBondContact CD-OD1 3.46Å; R18-D38 WeakPolarHBondContact CG-OD1 3.48Å; R18-D38 PolarHBondContact N-OD1 2.82Å; R18-D38 PolarHBondContact N-OD2 2.89Å; A36-D38 HydrophobicContact CB-CB 4.22Å; A36-D38 PolarHBondContact O-N 3.49Å; A36-D38 VanDerWaalsContact O-O 3.11Å; D38-V40 VanDerWaalsContact C-N 3.32Å; D38-A61 WeakPolarHBondContact O-CA 3.32Å; D38-L62 WeakPolarHBondContact O-CD1 3.46Å; D38-L62 PolarHBondContact O-N 3.39Å
39T93.3Very high94.1Very high64 Ų6427.4 Ų27.439%0.39315%0.147SC..SBendtrans-936.4177.660.30000113.2H58 G60T39-H58 WeakPolarHBondContact CB-O 3.26Å; T39-H58 WeakPolarHBondContact O-CB 3.29Å; T39-G60 WeakPolarHBondContact CA-O 3.5Å
40V93.9Very high94.1Very high32 Ų3233.2 Ų33.219%0.19417%0.174CC..EExtended strand (participates in β ladder)trans-127.7134.1-171.3-177.40000108.9H16 D38 T54 N56H16-V40 PolarHBondContact CE1-O 3.48Å; H16-V40 VanDerWaalsContact CE1-O 3.31Å; D38-V40 VanDerWaalsContact C-N 3.32Å; V40-T54 HydrophobicContact CG1-CG2 4.42Å; V40-N56 VanDerWaalsContact CG1-OD1 3.3Å; V40-N56 WeakPolarHBondContact CG1-OD1 3.39Å; V40-N56 VanDerWaalsContact CG2-OD1 3.25Å; V40-N56 WeakPolarHBondContact CG2-OD1 2.85Å
41A95.7Very high94.1Very high3 Ų336.7 Ų36.73%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-91.1139.5164.500000109.1V35 T54 Y55 L62 T76V35-A41 HydrophobicContact CG1-CB 3.64Å; A41-T54 CarbonylContact O-C 3.51Å; A41-T54 VanDerWaalsContact O-CA 3.29Å; A41-T54 WeakPolarHBondContact O-CA 3.38Å; A41-Y55 HydrophobicContact CB-CD2 3.96Å; A41-Y55 PolarHBondContact N-O 3.2Å; A41-Y55 PolarHBondContact O-N 2.92Å; A41-L62 HydrophobicContact CB-CD2 3.83Å; A41-T76 HydrophobicContact CB-CG2 4.37Å
42N95.9Very high94Very high3 Ų339.8 Ų39.82%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-110.6147.3175.4-69.6-49.1000110.3G15 H16 S34 W44 T54G15-N42 VanDerWaalsContact C-ND2 3.32Å; G15-N42 PolarHBondContact O-ND2 3.39Å; H16-N42 PolarHBondContact CD2-ND2 3.2Å; H16-N42 PolarHBondContact CE1-ND2 3.45Å; H16-N42 PolarHBondContact ND1-ND2 2.88Å; H16-N42 PolarHBondContact NE2-ND2 2.97Å; S34-N42 PolarHBondContact N-O 2.88Å; S34-N42 PolarHBondContact O-N 3.28Å; N42-W44 HydrophobicContact CB-CZ2 3.72Å; N42-W44 VanDerWaalsContact CB-NE1 3.32Å; N42-T54 WeakPolarHBondContact OD1-CG2 3.19Å
43V96.3Very high93.9Very high1 Ų141 Ų411%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-120.2133.8173.8-167.70000109.2L31 I32 F33 R51 L52 G53 Y55L31-V43 HydrophobicContact CB-CG1 4.39Å; L31-V43 HydrophobicContact CD1-CG1 4.39Å; L31-V43 HydrophobicContact CD2-CG1 4.29Å; I32-V43 WeakPolarHBondContact O-CA 3.26Å; F33-V43 HydrophobicContact CD1-CB 4.35Å; F33-V43 HydrophobicContact CD1-CG1 4.02Å; F33-V43 HydrophobicContact CD1-CG2 3.61Å; F33-V43 HydrophobicContact CE1-CB 4.33Å; F33-V43 HydrophobicContact CE1-CG1 3.7Å; F33-V43 HydrophobicContact CE1-CG2 3.66Å; F33-V43 HydrophobicContact CZ-CG1 4.3Å; V43-R51 WeakPolarHBondContact O-CG 3.46Å; V43-L52 HydrophobicContact CB-CB 4.34Å; V43-L52 HydrophobicContact CG1-CB 4.3Å; V43-L52 HydrophobicContact CG1-CD2 4.09Å; V43-L52 PolarHBondContact O-N 3.22Å; V43-G53 PolarHBondContact N-O 3.03Å; V43-G53 PolarHBondContact O-N 3.3Å; V43-Y55 HydrophobicContact CG2-CD2 4.2Å; V43-Y55 HydrophobicContact CG2-CE1 4.19Å; V43-Y55 HydrophobicContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CZ 3.44Å; V43-Y55 WeakPolarHBondContact CG2-OH 3.42Å
44W96.1Very high93.8Very high12 Ų1243 Ų435%0.04522%0.223CC..EExtended strand (participates in β ladder)trans-131.1148.2-174.5-4785.6000110.1L13 L31 I32 S34 N42 E50 R51L13-W44 HydrophobicContact CB-CD2 4.17Å; L13-W44 HydrophobicContact CB-CE3 4.15Å; L13-W44 HydrophobicContact CB-CH2 4.31Å; L13-W44 HydrophobicContact CB-CZ2 4.32Å; L13-W44 HydrophobicContact CB-CZ3 4.2Å; L13-W44 HydrophobicContact CD1-CB 4.01Å; L13-W44 HydrophobicContact CD1-CD2 3.88Å; L13-W44 HydrophobicContact CD1-CE3 4.36Å; L13-W44 HydrophobicContact CD1-CG 3.69Å; L13-W44 HydrophobicContact CD2-CD2 4.42Å; L13-W44 HydrophobicContact CD2-CE3 4.06Å; L13-W44 HydrophobicContact CG-CD2 4.39Å; L13-W44 HydrophobicContact CG-CE3 4.42Å; L31-W44 CarbonylContact C-O 3.59Å; L31-W44 WeakPolarHBondContact CA-O 3.08Å; I32-W44 HydrophobicContact CB-CB 4.38Å; I32-W44 PolarHBondContact N-O 2.82Å; I32-W44 PolarHBondContact O-N 2.9Å; S34-W44 PolarHBondContact OG-NE1 3Å; N42-W44 HydrophobicContact CB-CZ2 3.72Å; N42-W44 VanDerWaalsContact CB-NE1 3.32Å; W44-E50 CarbonylContact C-O 3.57Å; W44-E50 WeakPolarHBondContact CA-O 3.18Å; W44-R51 HydrophobicContact CD2-CB 4.35Å; W44-R51 HydrophobicContact CD2-CG 4.25Å; W44-R51 HydrophobicContact CE3-CB 3.59Å; W44-R51 HydrophobicContact CE3-CG 3.95Å; W44-R51 HydrophobicContact CH2-CB 4.15Å; W44-R51 HydrophobicContact CH2-CG 4.08Å; W44-R51 HydrophobicContact CZ2-CG 4.38Å; W44-R51 HydrophobicContact CZ3-CB 3.5Å; W44-R51 VanDerWaalsContact CZ3-CB 3.5Å; W44-R51 HydrophobicContact CZ3-CG 3.89Å
45Y95Very high93.7Very high88 Ų8843.2 Ų43.235%0.34522%0.224SC..EExtended strand (participates in β ladder)trans-75.3128.5164.5-75.1-67.5000109.8D30 L31 V47 N48 G49 E50 L52D30-Y45 CarbonylContact O-C 3.56Å; D30-Y45 WeakPolarHBondContact O-CA 3.3Å; L31-Y45 HydrophobicContact CD2-CD1 3.62Å; L31-Y45 HydrophobicContact CD2-CE1 3.67Å; L31-Y45 HydrophobicContact CD2-CG 4.37Å; Y45-V47 VanDerWaalsContact C-N 3.3Å; Y45-V47 PolarHBondContact O-N 2.9Å; Y45-N48 WeakPolarHBondContact CB-OD1 3.49Å; Y45-G49 WeakPolarHBondContact O-CA 3.18Å; Y45-G49 PolarHBondContact O-N 3.45Å; Y45-E50 HydrophobicContact CD2-CB 4.36Å; Y45-E50 PolarHBondContact N-O 3.24Å; Y45-L52 HydrophobicContact CD2-CB 4.35Å; Y45-L52 HydrophobicContact CE2-CB 4.06Å; Y45-L52 HydrophobicContact CE2-CD1 3.83Å; Y45-L52 HydrophobicContact CE2-CG 4.43Å; Y45-L52 WeakPolarHBondContact OH-CD1 3.2Å
46S92.2Very high93.6Very high2 Ų248 Ų481%0.01425%0.25CC..THydrogen-bonded Turntrans-68.6-30.3-178.166.10000113.1G29 D30G29-S46 WeakPolarHBondContact O-CB 3.27Å; G29-S46 PolarHBondContact O-OG 3.2Å; D30-S46 PolarHBondContact O-N 2.78Å; D30-S46 PolarHBondContact O-OG 2.88Å
47V88.3Confident93.3Very high112 Ų11249.6 Ų49.668%0.67927%0.267SS*.THydrogen-bonded Turntrans-76-39.3-171.7-178.70000112.2Y45Y45-V47 VanDerWaalsContact C-N 3.3Å; Y45-V47 PolarHBondContact O-N 2.9Å
48N88.2Confident93.3Very high75 Ų7546.8 Ų46.840%0.40125%0.254SS..THydrogen-bonded Turntrans-120.3-11.4-174.166.55.9000113.4Y45 E50Y45-N48 WeakPolarHBondContact CB-OD1 3.49Å; N48-E50 HydrophobicContact CB-CG 4.45Å; N48-E50 VanDerWaalsContact ND2-CD 3.25Å; N48-E50 WeakPolarHBondContact ND2-CG 3.37Å; N48-E50 PolarHBondContact ND2-OE2 2.73Å; N48-E50 PolarHBondContact O-N 3.21Å; N48-E50 WeakPolarHBondContact OD1-CB 3.19Å; N48-E50 PolarHBondContact OD1-N 2.89Å
49G89.9Confident93.3Very high12 Ų1251.2 Ų51.212%0.12428%0.283CS..  trans71.813.1-17600000114.7L13 Y45L13-G49 VanDerWaalsContact CD2-CA 3.44Å; L13-G49 WeakPolarHBondContact CD2-O 3.21Å; Y45-G49 WeakPolarHBondContact O-CA 3.18Å; Y45-G49 PolarHBondContact O-N 3.45Å
50E92.8Very high93.3Very high123 Ų12349 Ų4958%0.57527%0.272SS*.  trans-71.4140.7174.8-70.2-177.1158.400110.6W44 Y45 N48 L52W44-E50 CarbonylContact C-O 3.57Å; W44-E50 WeakPolarHBondContact CA-O 3.18Å; Y45-E50 HydrophobicContact CD2-CB 4.36Å; Y45-E50 PolarHBondContact N-O 3.24Å; N48-E50 HydrophobicContact CB-CG 4.45Å; N48-E50 VanDerWaalsContact ND2-CD 3.25Å; N48-E50 WeakPolarHBondContact ND2-CG 3.37Å; N48-E50 PolarHBondContact ND2-OE2 2.73Å; N48-E50 PolarHBondContact O-N 3.21Å; N48-E50 WeakPolarHBondContact OD1-CB 3.19Å; N48-E50 PolarHBondContact OD1-N 2.89Å; E50-L52 PolarHBondContact O-N 2.71Å
51R94.8Very high93.4Very high139 Ų13948.5 Ų48.553%0.52527%0.271SS..EExtended strand (participates in β ladder)trans-78.1115.9177.2-165.5169.762.1-179.5-4.2109.6V43 W44V43-R51 WeakPolarHBondContact O-CG 3.46Å; W44-R51 HydrophobicContact CD2-CB 4.35Å; W44-R51 HydrophobicContact CD2-CG 4.25Å; W44-R51 HydrophobicContact CE3-CB 3.59Å; W44-R51 HydrophobicContact CE3-CG 3.95Å; W44-R51 HydrophobicContact CH2-CB 4.15Å; W44-R51 HydrophobicContact CH2-CG 4.08Å; W44-R51 HydrophobicContact CZ2-CG 4.38Å; W44-R51 HydrophobicContact CZ3-CB 3.5Å; W44-R51 VanDerWaalsContact CZ3-CB 3.5Å; W44-R51 HydrophobicContact CZ3-CG 3.89Å
52L94Very high93.4Very high76 Ų7648.3 Ų48.340%0.39827%0.27SS..EExtended strand (participates in β ladder)trans-69.9-46173.417658.2000110.8L31 V43 Y45 E50L31-L52 HydrophobicContact CD1-CD2 4.15Å; L31-L52 HydrophobicContact CD2-CD2 3.73Å; V43-L52 HydrophobicContact CB-CB 4.34Å; V43-L52 HydrophobicContact CG1-CB 4.3Å; V43-L52 HydrophobicContact CG1-CD2 4.09Å; V43-L52 PolarHBondContact O-N 3.22Å; Y45-L52 HydrophobicContact CD2-CB 4.35Å; Y45-L52 HydrophobicContact CE2-CB 4.06Å; Y45-L52 HydrophobicContact CE2-CD1 3.83Å; Y45-L52 HydrophobicContact CE2-CG 4.43Å; Y45-L52 WeakPolarHBondContact OH-CD1 3.2Å; E50-L52 PolarHBondContact O-N 2.71Å
53G93.3Very high93.4Very high26 Ų2651.7 Ų51.727%0.26828%0.283SS..EExtended strand (participates in β ladder)trans-177-179-175.800000113.6V43V43-G53 PolarHBondContact N-O 3.03Å; V43-G53 PolarHBondContact O-N 3.3Å
54T94.6Very high93.3Very high42 Ų4251.7 Ų51.726%0.25828%0.283SS..EExtended strand (participates in β ladder)trans-135.4138.5177.479.80000110.2V40 A41 N42 N56V40-T54 HydrophobicContact CG1-CG2 4.42Å; A41-T54 CarbonylContact O-C 3.51Å; A41-T54 VanDerWaalsContact O-CA 3.29Å; A41-T54 WeakPolarHBondContact O-CA 3.38Å; N42-T54 WeakPolarHBondContact OD1-CG2 3.19Å; T54-N56 PolarHBondContact OG1-ND2 3.25Å; T54-N56 VanDerWaalsContact OG1-ND2 3.11Å; T54-N56 PolarHBondContact OG1-OD1 3.48Å
55Y94.6Very high93.3Very high5 Ų551.2 Ų51.22%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-95.9104.7175.5-54.2-40.4000109.4F33 A41 V43 V74 W86 C88 G91F33-Y55 HydrophobicContact CD1-CE2 4.21Å; F33-Y55 HydrophobicContact CE1-CE2 4.15Å; A41-Y55 HydrophobicContact CB-CD2 3.96Å; A41-Y55 PolarHBondContact N-O 3.2Å; A41-Y55 PolarHBondContact O-N 2.92Å; V43-Y55 HydrophobicContact CG2-CD2 4.2Å; V43-Y55 HydrophobicContact CG2-CE1 4.19Å; V43-Y55 HydrophobicContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CE2 3.43Å; V43-Y55 VanDerWaalsContact CG2-CZ 3.44Å; V43-Y55 WeakPolarHBondContact CG2-OH 3.42Å; Y55-V74 HydrophobicContact CE2-CB 4.18Å; Y55-V74 HydrophobicContact CE2-CG1 4.04Å; Y55-V74 HydrophobicContact CE2-CG2 4.13Å; Y55-W86 HydrophobicContact CD1-CE3 4.43Å; Y55-W86 HydrophobicContact CD2-CG 4.43Å; Y55-W86 HydrophobicContact CG-CD2 4.23Å; Y55-W86 HydrophobicContact CG-CE3 4.29Å; Y55-W86 HydrophobicContact CG-CG 4.36Å; Y55-C88 WeakPolarHBondContact OH-CA 3.48Å; Y55-C88 PolarHBondContact OH-O 2.89Å; Y55-G91 VanDerWaalsContact CE1-CA 3.46Å
56N93.1Very high93.4Very high100 Ų10048.2 Ų48.254%0.53527%0.271SS..EExtended strand (participates in β ladder)trans-100.5129.6-178.9-62-48.8000109.9V40 T54 W86V40-N56 VanDerWaalsContact CG1-OD1 3.3Å; V40-N56 WeakPolarHBondContact CG1-OD1 3.39Å; V40-N56 VanDerWaalsContact CG2-OD1 3.25Å; V40-N56 WeakPolarHBondContact CG2-OD1 2.85Å; T54-N56 PolarHBondContact OG1-ND2 3.25Å; T54-N56 VanDerWaalsContact OG1-ND2 3.11Å; T54-N56 PolarHBondContact OG1-OD1 3.48Å; N56-W86 WeakPolarHBondContact O-CH2 3.41Å
57G89.9Confident93.4Very high35 Ų3548.7 Ų48.736%0.36127%0.274SS..  trans163.1-27.3170.100000113.7R84G57-R84 PolarHBondContact O-NH1 2.84Å; G57-R84 PolarHBondContact O-NH2 2.84Å
58H94.2Very high93.6Very high10 Ų1044 Ų445%0.04625%0.245CC..  trans-61.2148.7172.8-79.9-68.4000111.1T39 L62 T76 S78 D80 S82 R84 W86T39-H58 WeakPolarHBondContact CB-O 3.26Å; T39-H58 WeakPolarHBondContact O-CB 3.29Å; H58-L62 HydrophobicContact CB-CD1 3.97Å; H58-T76 PolarHBondContact NE2-OG1 3.18Å; H58-S78 VanDerWaalsContact CE1-CB 3.41Å; H58-S78 WeakPolarHBondContact CE1-CB 3.39Å; H58-S78 VanDerWaalsContact ND1-CB 3.26Å; H58-S78 WeakPolarHBondContact ND1-CB 3.15Å; H58-D80 WeakPolarHBondContact CA-OD2 3.07Å; H58-D80 IonicContact CE1-OD1 2.8Å; H58-D80 IonicContact CE1-OD2 3.49Å; H58-D80 IonicContact CG-OD2 3.96Å; H58-D80 IonicContact ND1-OD1 3.53Å; H58-D80 PolarHBondContact ND1-OD1 2.85Å; H58-D80 IonicContact ND1-OD2 3.73Å; H58-D80 PolarHBondContact ND1-OD2 3.28Å; H58-S82 PolarHBondContact CE1-OG 2.94Å; H58-S82 PolarHBondContact ND1-OG 3.33Å; H58-R84 WeakPolarHBondContact CE1-CD 3.45Å; H58-R84 PolarHBondContact CE1-NE 3.46Å; H58-R84 PolarHBondContact ND1-NE 2.81Å; H58-W86 AromaticContact CD2-CZ2 3.97Å
59T94.1Very high93.6Very high116 Ų11643.8 Ų43.871%0.71224%0.239SC*.SBendtrans-110-5.4178.354.80000112.3D80T59-D80 PolarHBondContact N-OD2 3.09Å; T59-D80 WeakPolarHBondContact OG1-CB 3.45Å
60G93.3Very high93.6Very high17 Ų1748.2 Ų48.218%0.17526%0.26CS..SBendtrans-129.3178.6179.800000112.6T39T39-G60 WeakPolarHBondContact CA-O 3.5Å
61A95.1Very high93.5Very high21 Ų2143.4 Ų43.417%0.17424%0.239CC..  trans-63.7132.8177.500000111.4K37 D38 S78 A79K37-A61 HydrophobicContact CB-CB 4.23Å; D38-A61 WeakPolarHBondContact O-CA 3.32Å; A61-S78 WeakPolarHBondContact O-CA 3.36Å; A61-S78 PolarHBondContact O-OG 3.31Å; A61-A79 HydrophobicContact CB-CB 4.22Å; A61-A79 WeakPolarHBondContact O-CB 3.27Å; A61-A79 PolarHBondContact O-N 2.97Å
62L96.3Very high93.4Very high0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-82.5128.2172.3-71.985.7000110.1T21 V35 A36 D38 A41 H58 T76T21-L62 WeakPolarHBondContact CB-O 3.34Å; T21-L62 WeakPolarHBondContact CG2-O 3.42Å; T21-L62 PolarHBondContact OG1-O 2.81Å; V35-L62 HydrophobicContact CB-CB 3.82Å; V35-L62 HydrophobicContact CB-CD2 4.32Å; V35-L62 HydrophobicContact CG1-CB 4.05Å; V35-L62 HydrophobicContact CG1-CD2 3.63Å; A36-L62 CarbonylContact C-O 3.34Å; A36-L62 PolarHBondContact O-N 2.77Å; D38-L62 WeakPolarHBondContact O-CD1 3.46Å; D38-L62 PolarHBondContact O-N 3.39Å; A41-L62 HydrophobicContact CB-CD2 3.83Å; H58-L62 HydrophobicContact CB-CD1 3.97Å; L62-T76 HydrophobicContact CD2-CG2 4Å
63W95.3Very high93.3Very high74 Ų7439.9 Ų39.928%0.2823%0.226SC..EExtended strand (participates in β ladder)trans-97.8-36.1178.7-70.5117000112.6T21 G77T21-W63 HydrophobicContact CG2-CE3 3.78Å; T21-W63 HydrophobicContact CG2-CZ3 3.93Å; W63-G77 PolarHBondContact N-O 2.83Å
64C94.5Very high93.4Very high1 Ų138.7 Ų38.71%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-143153.9-175.851.80000112.7T76 G77 R104 T105 C106C64-T76 WeakPolarHBondContact O-CA 3.4Å; C64-G77 PolarHBondContact N-O 2.83Å; C64-G77 PolarHBondContact O-N 2.79Å; C64-G77 VanDerWaalsContact SG-CA 3.6Å; C64-R104 PolarHBondContact SG-O 2.77Å; C64-T105 VanDerWaalsContact SG-CA 3.5Å; C64-C106 PolarHBondContact SG-N 2.85Å
65V96.5Very high93.5Very high1 Ų136.7 Ų36.71%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-141.8142.5172.463.80000108.4Q22 K24 F33 V35 V74 L75 T76Q22-V65 VanDerWaalsContact OE1-N 3.07Å; Q22-V65 PolarHBondContact OE1-O 2.95Å; K24-V65 HydrophobicContact CB-CG1 4.42Å; K24-V65 HydrophobicContact CG-CG1 4.48Å; K24-V65 VanDerWaalsContact CG-O 3.29Å; K24-V65 WeakPolarHBondContact CG-O 3.27Å; F33-V65 HydrophobicContact CB-CG1 4.03Å; F33-V65 HydrophobicContact CB-CG2 3.93Å; F33-V65 HydrophobicContact CG-CG2 4.44Å; V35-V65 HydrophobicContact CB-CB 4.48Å; V35-V65 HydrophobicContact CB-CG1 4.38Å; V35-V65 HydrophobicContact CG1-CB 3.64Å; V35-V65 HydrophobicContact CG1-CG1 3.89Å; V35-V65 HydrophobicContact CG1-CG2 4.29Å; V35-V65 HydrophobicContact CG2-CB 3.99Å; V35-V65 HydrophobicContact CG2-CG1 3.68Å; V65-V74 HydrophobicContact CG2-CG1 3.67Å; V65-L75 CarbonylContact C-O 3.58Å; V65-L75 VanDerWaalsContact CA-O 3.31Å; V65-L75 WeakPolarHBondContact CA-O 3.42Å; V65-T76 HydrophobicContact CB-CG2 4.4Å; V65-T76 HydrophobicContact CG2-CG2 3.95Å
66D95.7Very high93.6Very high25 Ų2536.4 Ų36.413%0.13420%0.2CC..EExtended strand (participates in β ladder)trans-143.3156.1168.2-156.436.6000109.7V74 L75 G107 F108D66-V74 WeakPolarHBondContact O-CG1 3.45Å; D66-L75 PolarHBondContact N-O 3.32Å; D66-L75 PolarHBondContact O-N 3.35Å; D66-G107 WeakPolarHBondContact OD2-CA 3.43Å; D66-F108 HydrophobicContact CB-CD2 4.17Å; D66-F108 PolarHBondContact OD2-N 2.91Å
67C94.2Very high93.7Very high12 Ų1231.7 Ų31.78%0.08118%0.175CC..EExtended strand (participates in β ladder)trans-122147.5178.460.40000110.2N26 F33 V74 F108N26-C67 VanDerWaalsContact CA-SG 3.54Å; F33-C67 HydrophobicContact CD2-CB 3.97Å; F33-C67 HydrophobicContact CE2-CB 3.51Å; F33-C67 HydrophobicContact CZ-CB 4.1Å; C67-V74 HydrophobicContact CB-CG2 4.48Å; C67-F108 VanDerWaalsContact C-CD2 3.48Å
68D92.1Very high94Very high13 Ų1330 Ų307%0.0716%0.157CC..  trans-66157.3174-167.74.8000111.2D70 T71 N73 F108 G112D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.45Å; D68-T71 PolarHBondContact O-N 3.11Å; D68-N73 HydrophobicContact CB-CB 4.09Å; D68-N73 WeakPolarHBondContact CB-O 3.41Å; D68-N73 PolarHBondContact N-O 3.36Å; D68-N73 PolarHBondContact OD2-ND2 2.88Å; D68-F108 HydrophobicContact CB-CD1 4.02Å; D68-F108 HydrophobicContact CB-CD2 4.5Å; D68-F108 HydrophobicContact CB-CE1 4Å; D68-F108 HydrophobicContact CB-CE2 4.46Å; D68-F108 HydrophobicContact CB-CG 4.28Å; D68-F108 HydrophobicContact CB-CZ 4.23Å; D68-G112 WeakPolarHBondContact OD1-CA 3.49Å
69W88.2Confident94Very high72 Ų7231.4 Ų31.427%0.27317%0.17SC..THydrogen-bonded Turntrans-58.7-38.7178.6-81.876000112.4R27 T71 F110R27-W69 HydrophobicContact CG-CE3 3.9Å; R27-W69 HydrophobicContact CG-CZ3 3.89Å; R27-W69 VanDerWaalsContact CZ-CH2 3.49Å; W69-T71 PolarHBondContact O-N 3.22Å; W69-F110 HydrophobicContact CD2-CD2 4.33Å; W69-F110 HydrophobicContact CD2-CE2 4.37Å; W69-F110 AromaticContact CE2-CD2 3.61Å; W69-F110 AromaticContact CE2-CE2 3.97Å; W69-F110 HydrophobicContact CE3-CE2 4.22Å; W69-F110 AromaticContact CH2-CD2 3.65Å; W69-F110 HydrophobicContact CH2-CD2 3.65Å; W69-F110 AromaticContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CZ 4.25Å; W69-F110 AromaticContact CZ2-CD2 3.25Å; W69-F110 HydrophobicContact CZ2-CD2 3.25Å; W69-F110 AromaticContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CE2 3.42Å; W69-F110 VanDerWaalsContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CG 4.34Å; W69-F110 HydrophobicContact CZ3-CD2 4.32Å; W69-F110 AromaticContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CZ 4.26Å
70D88.8Confident93.9Very high105 Ų10527.5 Ų27.556%0.56115%0.145SC*.THydrogen-bonded Turntrans-75.3-4.4176.8-889.2000113.4D68 K72D68-D70 VanDerWaalsContact C-N 3.26Å; D68-D70 PolarHBondContact O-N 3.45Å; D70-K72 HydrophobicContact CB-CD 4.08Å; D70-K72 HydrophobicContact CB-CG 4.14Å; D70-K72 PolarHBondContact O-N 3.47Å; D70-K72 VanDerWaalsContact O-N 3.1Å; D70-K72 IonicContact OD2-NZ 2.67Å; D70-K72 PolarHBondContact OD2-NZ 3.29Å
71T91.6Very high93.9Very high22 Ų2229.3 Ų29.314%0.13515%0.151CC..SBendtrans56.421.6-173.6-43.80000113.8N26 L31 D68 W69 C88N26-T71 HydrophobicContact CB-CG2 3.81Å; N26-T71 PolarHBondContact ND2-OG1 3.46Å; N26-T71 VanDerWaalsContact ND2-OG1 3.14Å; L31-T71 HydrophobicContact CD1-CG2 3.89Å; D68-T71 PolarHBondContact O-N 3.11Å; W69-T71 PolarHBondContact O-N 3.22Å; T71-C88 WeakPolarHBondContact O-CB 3.4Å
72K91.6Very high93.8Very high103 Ų10328.5 Ų28.545%0.44814%0.144SC..SBendtrans-88-38.9177.4-71172.1-170.5146.90112.6D70 C88D70-K72 HydrophobicContact CB-CD 4.08Å; D70-K72 HydrophobicContact CB-CG 4.14Å; D70-K72 PolarHBondContact O-N 3.47Å; D70-K72 VanDerWaalsContact O-N 3.1Å; D70-K72 IonicContact OD2-NZ 2.67Å; D70-K72 PolarHBondContact OD2-NZ 3.29Å; K72-C88 WeakPolarHBondContact O-CB 3.22Å; K72-C88 PolarHBondContact O-N 3.29Å
73N93.3Very high93.7Very high38 Ų3828.6 Ų28.620%0.20315%0.145CC..EExtended strand (participates in β ladder)trans-115.3142.4-175.2-56.4-53.9000110.7D68 L85 W86 F108D68-N73 HydrophobicContact CB-CB 4.09Å; D68-N73 WeakPolarHBondContact CB-O 3.41Å; D68-N73 PolarHBondContact N-O 3.36Å; D68-N73 PolarHBondContact OD2-ND2 2.88Å; N73-L85 HydrophobicContact CB-CD1 4.07Å; N73-W86 CarbonylContact C-O 3.56Å; N73-W86 WeakPolarHBondContact CA-O 3.38Å; N73-F108 HydrophobicContact CB-CE1 4.25Å; N73-F108 HydrophobicContact CB-CZ 4.01Å
74V95.6Very high93.7Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-124.6135.1174.3-177.10000108.5F33 Y55 V65 D66 C67 T76 L85 W86 C88F33-V74 HydrophobicContact CD1-CG1 4.14Å; F33-V74 HydrophobicContact CD1-CG2 4.17Å; F33-V74 HydrophobicContact CE1-CG1 4.27Å; F33-V74 HydrophobicContact CE1-CG2 3.47Å; F33-V74 VanDerWaalsContact CE1-CG2 3.47Å; F33-V74 HydrophobicContact CZ-CG2 3.71Å; Y55-V74 HydrophobicContact CE2-CB 4.18Å; Y55-V74 HydrophobicContact CE2-CG1 4.04Å; Y55-V74 HydrophobicContact CE2-CG2 4.13Å; V65-V74 HydrophobicContact CG2-CG1 3.67Å; D66-V74 WeakPolarHBondContact O-CG1 3.45Å; C67-V74 HydrophobicContact CB-CG2 4.48Å; V74-T76 HydrophobicContact CG1-CG2 4.43Å; V74-L85 CarbonylContact O-C 3.54Å; V74-L85 WeakPolarHBondContact O-CA 3.47Å; V74-W86 HydrophobicContact CB-CB 4.31Å; V74-W86 PolarHBondContact N-O 3.12Å; V74-W86 PolarHBondContact O-N 3.43Å; V74-C88 HydrophobicContact CG2-CB 3.94Å
75L95.8Very high93.7Very high0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-112131178.5-17265.8000108.9V65 D66 C83 R84 L85 C106 F108 I115V65-L75 CarbonylContact C-O 3.58Å; V65-L75 VanDerWaalsContact CA-O 3.31Å; V65-L75 WeakPolarHBondContact CA-O 3.42Å; D66-L75 PolarHBondContact N-O 3.32Å; D66-L75 PolarHBondContact O-N 3.35Å; L75-C83 WeakPolarHBondContact CD1-SG 3.41Å; L75-R84 WeakPolarHBondContact CA-O 3.34Å; L75-L85 HydrophobicContact CD1-CD1 4.17Å; L75-C106 HydrophobicContact CD2-CB 3.7Å; L75-C106 HydrophobicContact CG-CB 4.06Å; L75-F108 HydrophobicContact CB-CD2 4.25Å; L75-F108 HydrophobicContact CB-CE2 3.36Å; L75-F108 HydrophobicContact CB-CZ 3.73Å; L75-F108 HydrophobicContact CD2-CE2 4.48Å; L75-I115 HydrophobicContact CD1-CD1 3.85Å; L75-I115 HydrophobicContact CD2-CB 3.77Å; L75-I115 HydrophobicContact CD2-CD1 3.97Å; L75-I115 HydrophobicContact CD2-CG1 4.43Å; L75-I115 HydrophobicContact CD2-CG2 3.94Å
76T96.6Very high93.6Very high0 Ų026.7 Ų26.70%014%0.138CC..EExtended strand (participates in β ladder)trans-125.4133.8176.756.70000110.8A41 H58 L62 C64 V65 V74 C83 R84 W86A41-T76 HydrophobicContact CB-CG2 4.37Å; H58-T76 PolarHBondContact NE2-OG1 3.18Å; L62-T76 HydrophobicContact CD2-CG2 4Å; C64-T76 WeakPolarHBondContact O-CA 3.4Å; V65-T76 HydrophobicContact CB-CG2 4.4Å; V65-T76 HydrophobicContact CG2-CG2 3.95Å; V74-T76 HydrophobicContact CG1-CG2 4.43Å; T76-C83 WeakPolarHBondContact O-CA 3.44Å; T76-R84 PolarHBondContact N-O 3.5Å; T76-R84 PolarHBondContact O-N 2.99Å; T76-R84 PolarHBondContact OG1-O 2.94Å; T76-W86 PolarHBondContact OG1-NE1 3.42Å
77G95.6Very high93.6Very high0 Ų027.1 Ų27.10%014%0.14CC..EExtended strand (participates in β ladder)trans-109.6132.1174.800000111.5W63 C64W63-G77 PolarHBondContact N-O 2.83Å; C64-G77 PolarHBondContact N-O 2.83Å; C64-G77 PolarHBondContact O-N 2.79Å; C64-G77 VanDerWaalsContact SG-CA 3.6Å
78S95.3Very high93.5Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-129.5160.6-171.2176.40000113.7H58 A61 D80 S82 V103H58-S78 VanDerWaalsContact CE1-CB 3.41Å; H58-S78 WeakPolarHBondContact CE1-CB 3.39Å; H58-S78 VanDerWaalsContact ND1-CB 3.26Å; H58-S78 WeakPolarHBondContact ND1-CB 3.15Å; A61-S78 WeakPolarHBondContact O-CA 3.36Å; A61-S78 PolarHBondContact O-OG 3.31Å; S78-D80 WeakPolarHBondContact CB-OD1 2.94Å; S78-D80 PolarHBondContact O-N 2.99Å; S78-D80 PolarHBondContact OG-N 3.31Å; S78-D80 VanDerWaalsContact OG-N 3.15Å; S78-D80 PolarHBondContact OG-OD1 2.91Å; S78-D80 VanDerWaalsContact OG-OD1 3.09Å; S78-D80 PolarHBondContact OG-OD2 2.63Å; S78-S82 PolarHBondContact N-O 3.36Å; S78-V103 PolarHBondContact O-N 3.36Å; S78-V103 VanDerWaalsContact O-N 3.07Å
79A94.1Very high93.4Very high39 Ų3934.4 Ų34.432%0.32217%0.174SC..THydrogen-bonded Turntrans-70.3-10.6169.200000113.5A61 N81A61-A79 HydrophobicContact CB-CB 4.22Å; A61-A79 WeakPolarHBondContact O-CB 3.27Å; A61-A79 PolarHBondContact O-N 2.97Å; A79-N81 PolarHBondContact O-N 2.94Å
80D92.9Very high93.5Very high34 Ų3434.6 Ų34.618%0.18218%0.183CC..THydrogen-bonded Turntrans-78.511.9175.666.110.9000113.7H58 T59 S78 S82 R84H58-D80 WeakPolarHBondContact CA-OD2 3.07Å; H58-D80 IonicContact CE1-OD1 2.8Å; H58-D80 IonicContact CE1-OD2 3.49Å; H58-D80 IonicContact CG-OD2 3.96Å; H58-D80 IonicContact ND1-OD1 3.53Å; H58-D80 PolarHBondContact ND1-OD1 2.85Å; H58-D80 IonicContact ND1-OD2 3.73Å; H58-D80 PolarHBondContact ND1-OD2 3.28Å; T59-D80 PolarHBondContact N-OD2 3.09Å; T59-D80 WeakPolarHBondContact OG1-CB 3.45Å; S78-D80 WeakPolarHBondContact CB-OD1 2.94Å; S78-D80 PolarHBondContact O-N 2.99Å; S78-D80 PolarHBondContact OG-N 3.31Å; S78-D80 VanDerWaalsContact OG-N 3.15Å; S78-D80 PolarHBondContact OG-OD1 2.91Å; S78-D80 VanDerWaalsContact OG-OD1 3.09Å; S78-D80 PolarHBondContact OG-OD2 2.63Å; D80-S82 VanDerWaalsContact CG-OG 3.26Å; D80-S82 PolarHBondContact O-N 2.89Å; D80-S82 WeakPolarHBondContact OD1-CB 3.14Å; D80-S82 PolarHBondContact OD1-N 2.95Å; D80-S82 PolarHBondContact OD1-OG 2.78Å; D80-S82 PolarHBondContact OD2-OG 2.94Å; D80-R84 IonicContact OD2-NH2 3.68Å
81N92.8Very high93.6Very high56 Ų5630.9 Ų30.930%0.29917%0.169SC..SBendtrans57.736.4-176.6-50.9-25.4000112.3A79 T99 S101 A102A79-N81 PolarHBondContact O-N 2.94Å; N81-T99 WeakPolarHBondContact CA-OG1 3.37Å; N81-T99 WeakPolarHBondContact CB-O 3.41Å; N81-T99 PolarHBondContact O-N 2.93Å; N81-T99 PolarHBondContact O-OG1 3.26Å; N81-S101 VanDerWaalsContact OD1-C 3.23Å; N81-A102 WeakPolarHBondContact OD1-CA 3.27Å; N81-A102 PolarHBondContact OD1-N 3.14Å
82S93.3Very high93.7Very high4 Ų436.8 Ų36.83%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-131.1144.2170.273.70000111.7H58 S78 D80 R84 L97H58-S82 PolarHBondContact CE1-OG 2.94Å; H58-S82 PolarHBondContact ND1-OG 3.33Å; S78-S82 PolarHBondContact N-O 3.36Å; D80-S82 VanDerWaalsContact CG-OG 3.26Å; D80-S82 PolarHBondContact O-N 2.89Å; D80-S82 WeakPolarHBondContact OD1-CB 3.14Å; D80-S82 PolarHBondContact OD1-N 2.95Å; D80-S82 PolarHBondContact OD1-OG 2.78Å; D80-S82 PolarHBondContact OD2-OG 2.94Å; S82-R84 PolarHBondContact OG-NE 3.3Å; S82-L97 WeakPolarHBondContact CA-O 3.49Å
83C94.3Very high93.8Very high1 Ų135.5 Ų35.51%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-107128163.4-159.50000107.3L75 T76 L97 V103 F117L75-C83 WeakPolarHBondContact CD1-SG 3.41Å; T76-C83 WeakPolarHBondContact O-CA 3.44Å; C83-L97 HydrophobicContact CB-CB 4.18Å; C83-L97 PolarHBondContact N-O 3.13Å; C83-L97 PolarHBondContact O-N 2.57Å; C83-V103 HydrophobicContact CB-CG2 4.11Å; C83-F117 HydrophobicContact CB-CD1 4.36Å; C83-F117 HydrophobicContact CB-CE1 4.46Å
84R94.8Very high93.7Very high16 Ų1638.3 Ų38.36%0.0620%0.204CC..EExtended strand (participates in β ladder)trans-121.8136.1-175.2-65.5-177.2-170-156.614.7111.1G57 H58 L75 T76 D80 S82 W86 M96G57-R84 PolarHBondContact O-NH1 2.84Å; G57-R84 PolarHBondContact O-NH2 2.84Å; H58-R84 WeakPolarHBondContact CE1-CD 3.45Å; H58-R84 PolarHBondContact CE1-NE 3.46Å; H58-R84 PolarHBondContact ND1-NE 2.81Å; L75-R84 WeakPolarHBondContact CA-O 3.34Å; T76-R84 PolarHBondContact N-O 3.5Å; T76-R84 PolarHBondContact O-N 2.99Å; T76-R84 PolarHBondContact OG1-O 2.94Å; D80-R84 IonicContact OD2-NH2 3.68Å; S82-R84 PolarHBondContact OG-NE 3.3Å; R84-W86 HydrophobicContact CB-CZ2 4.02Å; R84-M96 HydrophobicContact CG-CE 4.47Å; R84-M96 VanDerWaalsContact NE-CE 3.26Å; R84-M96 VanDerWaalsContact NH2-CE 3.32Å
85L94.6Very high93.4Very high16 Ų1639 Ų398%0.08421%0.209CC..EExtended strand (participates in β ladder)trans-100.2130.6173.2-166.472.7000108.7N73 V74 L75 L94 A95 F108 L134N73-L85 HydrophobicContact CB-CD1 4.07Å; V74-L85 CarbonylContact O-C 3.54Å; V74-L85 WeakPolarHBondContact O-CA 3.47Å; L75-L85 HydrophobicContact CD1-CD1 4.17Å; L85-L94 HydrophobicContact CD2-CB 4.34Å; L85-L94 HydrophobicContact CD2-CD1 4.39Å; L85-L94 HydrophobicContact CG-CB 4.49Å; L85-L94 PolarHBondContact O-N 2.63Å; L85-A95 HydrophobicContact CB-CB 3.99Å; L85-A95 PolarHBondContact N-O 2.76Å; L85-A95 PolarHBondContact O-N 3.26Å; L85-F108 HydrophobicContact CD1-CE1 4.27Å; L85-F108 HydrophobicContact CD1-CZ 3.77Å; L85-L134 HydrophobicContact CD1-CD1 4.43Å; L85-L134 HydrophobicContact CD2-CD1 4.41Å; L85-L134 HydrophobicContact CD2-CD2 4.1Å
86W95.4Very high93.2Very high4 Ų442.3 Ų42.32%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-122.4145.7-177.9-52.284.1000109.9Y55 N56 H58 N73 V74 T76 R84 K92 Q93Y55-W86 HydrophobicContact CD1-CE3 4.43Å; Y55-W86 HydrophobicContact CD2-CG 4.43Å; Y55-W86 HydrophobicContact CG-CD2 4.23Å; Y55-W86 HydrophobicContact CG-CE3 4.29Å; Y55-W86 HydrophobicContact CG-CG 4.36Å; N56-W86 WeakPolarHBondContact O-CH2 3.41Å; H58-W86 AromaticContact CD2-CZ2 3.97Å; N73-W86 CarbonylContact C-O 3.56Å; N73-W86 WeakPolarHBondContact CA-O 3.38Å; V74-W86 HydrophobicContact CB-CB 4.31Å; V74-W86 PolarHBondContact N-O 3.12Å; V74-W86 PolarHBondContact O-N 3.43Å; T76-W86 PolarHBondContact OG1-NE1 3.42Å; R84-W86 HydrophobicContact CB-CZ2 4.02Å; W86-K92 WeakPolarHBondContact CA-O 3.3Å; W86-Q93 HydrophobicContact CD2-CB 4.46Å; W86-Q93 HydrophobicContact CE3-CB 3.87Å; W86-Q93 HydrophobicContact CE3-CG 4.44Å; W86-Q93 HydrophobicContact CH2-CB 4.26Å; W86-Q93 HydrophobicContact CH2-CG 4.48Å; W86-Q93 HydrophobicContact CZ3-CB 3.76Å; W86-Q93 HydrophobicContact CZ3-CG 4.38Å
87D94Very high92.9Very high34 Ų3442.6 Ų42.618%0.18223%0.227CC..EExtended strand (participates in β ladder)trans-78.4123.3164.5176.7-12.4000108.5E89 T90 G91 K92 L94D87-E89 PolarHBondContact OD1-N 2.63Å; D87-T90 WeakPolarHBondContact CB-OG1 3.3Å; D87-T90 PolarHBondContact OD1-N 3.08Å; D87-T90 WeakPolarHBondContact OD2-CB 3.46Å; D87-T90 VanDerWaalsContact OD2-CG2 3.28Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.48Å; D87-T90 PolarHBondContact OD2-OG1 2.84Å; D87-G91 WeakPolarHBondContact O-CA 2.93Å; D87-G91 PolarHBondContact O-N 3.46Å; D87-K92 PolarHBondContact N-O 3.06Å; D87-L94 HydrophobicContact CB-CD1 3.97Å; D87-L94 HydrophobicContact CB-CD2 4.03Å; D87-L94 HydrophobicContact CB-CG 3.92Å
88C92.8Very high92.6Very high10 Ų1047.1 Ų47.17%0.06825%0.251CS..THydrogen-bonded Turntrans-66.7-38.3-178-169.40000112.4Y55 T71 K72 V74Y55-C88 WeakPolarHBondContact OH-CA 3.48Å; Y55-C88 PolarHBondContact OH-O 2.89Å; T71-C88 WeakPolarHBondContact O-CB 3.4Å; K72-C88 WeakPolarHBondContact O-CB 3.22Å; K72-C88 PolarHBondContact O-N 3.29Å; V74-C88 HydrophobicContact CG2-CB 3.94Å
89E90.2Very high92.3Very high168 Ų16848.2 Ų48.279%0.78526%0.257SS*.THydrogen-bonded Turntrans-74.2-43.1-175.1-64-176179.500111.4D87D87-E89 PolarHBondContact OD1-N 2.63Å
90T90.4Very high91.8Very high77 Ų7749.1 Ų49.147%0.47226%0.262SS..THydrogen-bonded Turntrans-97.1-17.3-17569.20000113.8D87 K92D87-T90 WeakPolarHBondContact CB-OG1 3.3Å; D87-T90 PolarHBondContact OD1-N 3.08Å; D87-T90 WeakPolarHBondContact OD2-CB 3.46Å; D87-T90 VanDerWaalsContact OD2-CG2 3.28Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.48Å; D87-T90 PolarHBondContact OD2-OG1 2.84Å; T90-K92 PolarHBondContact O-N 3.15Å; T90-K92 PolarHBondContact OG1-N 3.48Å
91G90.3Very high91.7Very high26 Ų2647.5 Ų47.527%0.26825%0.253SS..  trans64.616.7-17300000114.5Y55 D87Y55-G91 VanDerWaalsContact CE1-CA 3.46Å; D87-G91 WeakPolarHBondContact O-CA 2.93Å; D87-G91 PolarHBondContact O-N 3.46Å
92K93.4Very high91.7Very high147 Ų14745 Ų4564%0.63924%0.24SC*.  trans-85.4144.6176.2-68.3-179.8179.2175.20110.4W86 D87 T90 L94W86-K92 WeakPolarHBondContact CA-O 3.3Å; D87-K92 PolarHBondContact N-O 3.06Å; T90-K92 PolarHBondContact O-N 3.15Å; T90-K92 PolarHBondContact OG1-N 3.48Å; K92-L94 PolarHBondContact O-N 2.89Å
93Q93.7Very high91.7Very high76 Ų7644.8 Ų44.836%0.35524%0.239SC..EExtended strand (participates in β ladder)trans-72.3121.5171.1-168-172-67.200109.3W86W86-Q93 HydrophobicContact CD2-CB 4.46Å; W86-Q93 HydrophobicContact CE3-CB 3.87Å; W86-Q93 HydrophobicContact CE3-CG 4.44Å; W86-Q93 HydrophobicContact CH2-CB 4.26Å; W86-Q93 HydrophobicContact CH2-CG 4.48Å; W86-Q93 HydrophobicContact CZ3-CB 3.76Å; W86-Q93 HydrophobicContact CZ3-CG 4.38Å
94L91.1Very high91.6Very high97 Ų9747.7 Ų47.751%0.50825%0.249SC..EExtended strand (participates in β ladder)trans-86.9-43.9176.5-65.3176.2000111.2L85 D87 K92L85-L94 HydrophobicContact CD2-CB 4.34Å; L85-L94 HydrophobicContact CD2-CD1 4.39Å; L85-L94 HydrophobicContact CG-CB 4.49Å; L85-L94 PolarHBondContact O-N 2.63Å; D87-L94 HydrophobicContact CB-CD1 3.97Å; D87-L94 HydrophobicContact CB-CD2 4.03Å; D87-L94 HydrophobicContact CB-CG 3.92Å; K92-L94 PolarHBondContact O-N 2.89Å
95A90.2Very high91.5Very high13 Ų1347.4 Ų47.411%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-145.8155.8-177.500000112.1L85 I140L85-A95 HydrophobicContact CB-CB 3.99Å; L85-A95 PolarHBondContact N-O 2.76Å; L85-A95 PolarHBondContact O-N 3.26Å; A95-I140 HydrophobicContact CB-CG2 3.55Å
96M91.1Very high91.5Very high70 Ų7047 Ų4735%0.34525%0.248SC..EExtended strand (participates in β ladder)trans-133.4117.9173.6170.3-176.9-84.300108.6R84R84-M96 HydrophobicContact CG-CE 4.47Å; R84-M96 VanDerWaalsContact NE-CE 3.26Å; R84-M96 VanDerWaalsContact NH2-CE 3.32Å
97L90.8Very high91.4Very high6 Ų647 Ų473%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-100.7119.3174.7-58.1173.7000107.9S82 C83 I115 F117 F132 I140 N143S82-L97 WeakPolarHBondContact CA-O 3.49Å; C83-L97 HydrophobicContact CB-CB 4.18Å; C83-L97 PolarHBondContact N-O 3.13Å; C83-L97 PolarHBondContact O-N 2.57Å; L97-I115 HydrophobicContact CD1-CD1 3.87Å; L97-F117 HydrophobicContact CD1-CE1 4.01Å; L97-F132 HydrophobicContact CD1-CD1 4.08Å; L97-F132 HydrophobicContact CD1-CD2 4.28Å; L97-F132 HydrophobicContact CD1-CE1 4.22Å; L97-F132 HydrophobicContact CD1-CE2 4.41Å; L97-F132 HydrophobicContact CD1-CG 4.1Å; L97-F132 HydrophobicContact CD1-CZ 4.37Å; L97-F132 HydrophobicContact CD2-CD1 4.06Å; L97-F132 HydrophobicContact CD2-CE1 3.75Å; L97-F132 HydrophobicContact CD2-CZ 4.31Å; L97-I140 HydrophobicContact CD2-CB 4.44Å; L97-I140 HydrophobicContact CD2-CG2 4.1Å; L97-N143 WeakPolarHBondContact CA-OD1 3.32Å
98N90.1Very high91.4Very high96 Ų9645.8 Ų45.851%0.51324%0.243SC..EExtended strand (participates in β ladder)trans-87126.2179.6-69-48.5000109.2N143N98-N143 PolarHBondContact N-OD1 3.27Å; N98-N143 PolarHBondContact O-ND2 3.18Å; N98-N143 PolarHBondContact O-OD1 3.29Å
99T87.2Confident91.4Very high22 Ų2245.7 Ų45.714%0.13524%0.242CC..  trans-109155.9179.557.80000110.2N81 S101 V103 F117N81-T99 WeakPolarHBondContact CA-OG1 3.37Å; N81-T99 WeakPolarHBondContact CB-O 3.41Å; N81-T99 PolarHBondContact O-N 2.93Å; N81-T99 PolarHBondContact O-OG1 3.26Å; T99-S101 VanDerWaalsContact C-N 3.27Å; T99-S101 WeakPolarHBondContact CB-O 3.26Å; T99-S101 PolarHBondContact OG1-O 3.02Å; T99-V103 HydrophobicContact CG2-CG2 4.04Å; T99-F117 HydrophobicContact CG2-CD2 4.24Å; T99-F117 HydrophobicContact CG2-CE2 3.38Å; T99-F117 HydrophobicContact CG2-CZ 3.77Å
100S84.8Confident91.1Very high59 Ų5942.3 Ų42.341%0.41322%0.224SC..SBendtrans-75.8-19.2176.3540000112.9
101S90.6Very high90.9Very high0 Ų042.1 Ų42.10%023%0.226CC..SBendtrans-144171.2177.7-161.30000111.2N81 T99 D120 Q122N81-S101 VanDerWaalsContact OD1-C 3.23Å; T99-S101 VanDerWaalsContact C-N 3.27Å; T99-S101 WeakPolarHBondContact CB-O 3.26Å; T99-S101 PolarHBondContact OG1-O 3.02Å; S101-D120 PolarHBondContact OG-O 3.03Å; S101-Q122 WeakPolarHBondContact OG-CG 3.38Å; S101-Q122 PolarHBondContact OG-OE1 3.4Å
102A92Very high90.6Very high3 Ų341.2 Ų41.23%0.02522%0.217CC..  trans-61.3142.8-17700000111.3N81 T119 D120N81-A102 WeakPolarHBondContact OD1-CA 3.27Å; N81-A102 PolarHBondContact OD1-N 3.14Å; A102-T119 CarbonylContact O-C 3.51Å; A102-T119 WeakPolarHBondContact O-CA 3.48Å; A102-D120 HydrophobicContact CB-CB 4.44Å; A102-D120 PolarHBondContact O-N 2.96Å
103V93.8Very high90.4Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-83.9125.1176-1780000109S78 C83 T99 F117 S118S78-V103 PolarHBondContact O-N 3.36Å; S78-V103 VanDerWaalsContact O-N 3.07Å; C83-V103 HydrophobicContact CB-CG2 4.11Å; T99-V103 HydrophobicContact CG2-CG2 4.04Å; V103-F117 HydrophobicContact CG1-CB 3.86Å; V103-F117 HydrophobicContact CG1-CD2 4.37Å; V103-F117 HydrophobicContact CG1-CG 4.44Å; V103-F117 HydrophobicContact CG2-CD2 4.25Å; V103-S118 CarbonylContact C-O 3.53Å; V103-S118 WeakPolarHBondContact CA-O 3.45Å
104R92.8Very high90.3Very high61 Ų6135 Ų3523%0.2319%0.193CC..EExtended strand (participates in β ladder)trans-94.9-46.7-178.6-70.4-59.1-571751.9112.2C64 S118 D120C64-R104 PolarHBondContact SG-O 2.77Å; R104-S118 PolarHBondContact N-O 2.67Å; R104-D120 HydrophobicContact CG-CB 3.59Å
105T93.1Very high90.4Very high10 Ų1030.4 Ų30.46%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-133.9153.4174.758.50000111.4C64 F117 S118 T157 S158C64-T105 VanDerWaalsContact SG-CA 3.5Å; T105-F117 CarbonylContact O-C 3.52Å; T105-F117 WeakPolarHBondContact O-CA 3.42Å; T105-F117 WeakPolarHBondContact O-CB 3.3Å; T105-S118 PolarHBondContact N-OG 2.99Å; T105-S118 PolarHBondContact O-N 2.86Å; T105-S118 WeakPolarHBondContact OG1-CB 3.33Å; T105-S118 PolarHBondContact OG1-OG 3.17Å; T105-T157 WeakPolarHBondContact CG2-O 3.21Å; T105-S158 VanDerWaalsContact CG2-CA 3.44Å
106C94.6Very high90.6Very high8 Ų829.8 Ų29.85%0.05416%0.163CC..EExtended strand (participates in β ladder)trans-138.8156.5170.463.90000109.1C64 L75 M116 F117C64-C106 PolarHBondContact SG-N 2.85Å; L75-C106 HydrophobicContact CD2-CB 3.7Å; L75-C106 HydrophobicContact CG-CB 4.06Å; C106-M116 CarbonylContact C-O 3.6Å; C106-M116 WeakPolarHBondContact CA-O 3.11Å; C106-F117 HydrophobicContact CB-CB 4.09Å
107G93.5Very high90.7Very high5 Ų526.6 Ų26.65%0.05215%0.148CC..EExtended strand (participates in β ladder)trans-164.6140.8177.500000113D66 M116 W161D66-G107 WeakPolarHBondContact OD2-CA 3.43Å; G107-M116 PolarHBondContact N-O 2.98Å; G107-M116 PolarHBondContact O-N 2.89Å; G107-W161 PolarHBondContact O-NE1 2.58Å
108F93.6Very high90.8Very high8 Ų826.3 Ų26.34%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-83.2140.5170.4-76.3-91.3000111.4D66 C67 D68 N73 L75 L85 I115 L134 W161D66-F108 HydrophobicContact CB-CD2 4.17Å; D66-F108 PolarHBondContact OD2-N 2.91Å; C67-F108 VanDerWaalsContact C-CD2 3.48Å; D68-F108 HydrophobicContact CB-CD1 4.02Å; D68-F108 HydrophobicContact CB-CD2 4.5Å; D68-F108 HydrophobicContact CB-CE1 4Å; D68-F108 HydrophobicContact CB-CE2 4.46Å; D68-F108 HydrophobicContact CB-CG 4.28Å; D68-F108 HydrophobicContact CB-CZ 4.23Å; N73-F108 HydrophobicContact CB-CE1 4.25Å; N73-F108 HydrophobicContact CB-CZ 4.01Å; L75-F108 HydrophobicContact CB-CD2 4.25Å; L75-F108 HydrophobicContact CB-CE2 3.36Å; L75-F108 HydrophobicContact CB-CZ 3.73Å; L75-F108 HydrophobicContact CD2-CE2 4.48Å; L85-F108 HydrophobicContact CD1-CE1 4.27Å; L85-F108 HydrophobicContact CD1-CZ 3.77Å; F108-I115 HydrophobicContact CD1-CG2 3.5Å; F108-I115 VanDerWaalsContact CD1-CG2 3.5Å; F108-I115 HydrophobicContact CE1-CG2 3.42Å; F108-I115 VanDerWaalsContact CE1-CG2 3.42Å; F108-I115 HydrophobicContact CG-CG2 4.18Å; F108-I115 HydrophobicContact CZ-CG2 4.06Å; F108-L134 HydrophobicContact CE1-CD1 3.82Å; F108-W161 VanDerWaalsContact C-CD1 3.4Å; F108-W161 VanDerWaalsContact C-NE1 3.34Å; F108-W161 PolarHBondContact O-NE1 2.9Å
109D91.4Very high90.9Very high8 Ų821.9 Ų21.94%0.04312%0.122CC..  trans-63159.2165.3177.446.3000111.1S111 G112 I114 W161 G165D109-S111 PolarHBondContact O-N 2.9Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD2-CB 3.27Å; D109-S111 WeakPolarHBondContact OD2-CB 3.4Å; D109-S111 PolarHBondContact OD2-N 2.8Å; D109-S111 PolarHBondContact OD2-OG 3.32Å; D109-G112 PolarHBondContact O-N 3.42Å; D109-I114 HydrophobicContact CB-CB 3.91Å; D109-I114 WeakPolarHBondContact CB-O 3.23Å; D109-I114 PolarHBondContact N-O 3.44Å; D109-W161 HydrophobicContact CB-CD2 4.39Å; D109-W161 HydrophobicContact CB-CH2 4.35Å; D109-W161 HydrophobicContact CB-CZ2 4.13Å; D109-G165 WeakPolarHBondContact OD1-CA 3.34Å
110F85.2Confident91Very high96 Ų9621.8 Ų21.842%0.42112%0.121SC..THydrogen-bonded Turntrans-53.4-33.1173.9-171.6-92.3000113.1W69 G112 L207W69-F110 HydrophobicContact CD2-CD2 4.33Å; W69-F110 HydrophobicContact CD2-CE2 4.37Å; W69-F110 AromaticContact CE2-CD2 3.61Å; W69-F110 AromaticContact CE2-CE2 3.97Å; W69-F110 HydrophobicContact CE3-CE2 4.22Å; W69-F110 AromaticContact CH2-CD2 3.65Å; W69-F110 HydrophobicContact CH2-CD2 3.65Å; W69-F110 AromaticContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CE2 3.25Å; W69-F110 HydrophobicContact CH2-CZ 4.25Å; W69-F110 AromaticContact CZ2-CD2 3.25Å; W69-F110 HydrophobicContact CZ2-CD2 3.25Å; W69-F110 AromaticContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CE2 3.42Å; W69-F110 VanDerWaalsContact CZ2-CE2 3.42Å; W69-F110 HydrophobicContact CZ2-CG 4.34Å; W69-F110 HydrophobicContact CZ3-CD2 4.32Å; W69-F110 AromaticContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CE2 3.67Å; W69-F110 HydrophobicContact CZ3-CZ 4.26Å; F110-G112 VanDerWaalsContact C-N 3.31Å; F110-L207 HydrophobicContact CD2-CD1 4.26Å
111S84.9Confident91Very high74 Ų7424.1 Ų24.152%0.51712%0.124SC..THydrogen-bonded Turntrans-82-7.9180-42.50000113.7D109 N113D109-S111 PolarHBondContact O-N 2.9Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD2-CB 3.27Å; D109-S111 WeakPolarHBondContact OD2-CB 3.4Å; D109-S111 PolarHBondContact OD2-N 2.8Å; D109-S111 PolarHBondContact OD2-OG 3.32Å; S111-N113 PolarHBondContact O-N 2.85Å; S111-N113 PolarHBondContact O-ND2 3.21Å
112G85.2Confident90.5Very high6 Ų628.1 Ų28.16%0.06214%0.142CC..SBendtrans70.7-8-174.500000115.7D68 D109 F110D68-G112 WeakPolarHBondContact OD1-CA 3.49Å; D109-G112 PolarHBondContact O-N 3.42Å; F110-G112 VanDerWaalsContact C-N 3.31Å
113N88.6Confident89.5Confident59 Ų5937.4 Ų37.432%0.31619%0.188SC..SBendtrans-84.5-29-174.9-64-54.7000113.3S111 L134 R135S111-N113 PolarHBondContact O-N 2.85Å; S111-N113 PolarHBondContact O-ND2 3.21Å; N113-L134 WeakPolarHBondContact O-CB 3.37Å; N113-L134 PolarHBondContact O-N 3.02Å; N113-R135 HydrophobicContact CB-CG 4.08Å
114I91.5Very high88.4Confident34 Ų3441.3 Ų41.317%0.17423%0.228CC..EExtended strand (participates in β ladder)trans-111.1135-177.3-60.9171.3000107.9D109 Y131 F132 Y146 W161D109-I114 HydrophobicContact CB-CB 3.91Å; D109-I114 WeakPolarHBondContact CB-O 3.23Å; D109-I114 PolarHBondContact N-O 3.44Å; I114-Y131 HydrophobicContact CG2-CD1 4.42Å; I114-F132 WeakPolarHBondContact CA-O 3.1Å; I114-Y146 HydrophobicContact CG2-CE1 4.05Å; I114-W161 HydrophobicContact CG2-CH2 3.83Å; I114-W161 HydrophobicContact CG2-CZ2 3.89Å
115I93Very high87.8Confident1 Ų144.1 Ų44.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-112.3145.6168.762.6168.7000109.6L75 L97 F108 Y131 F132 L134L75-I115 HydrophobicContact CD1-CD1 3.85Å; L75-I115 HydrophobicContact CD2-CB 3.77Å; L75-I115 HydrophobicContact CD2-CD1 3.97Å; L75-I115 HydrophobicContact CD2-CG1 4.43Å; L75-I115 HydrophobicContact CD2-CG2 3.94Å; L97-I115 HydrophobicContact CD1-CD1 3.87Å; F108-I115 HydrophobicContact CD1-CG2 3.5Å; F108-I115 VanDerWaalsContact CD1-CG2 3.5Å; F108-I115 HydrophobicContact CE1-CG2 3.42Å; F108-I115 VanDerWaalsContact CE1-CG2 3.42Å; F108-I115 HydrophobicContact CG-CG2 4.18Å; F108-I115 HydrophobicContact CZ-CG2 4.06Å; I115-Y131 WeakPolarHBondContact O-CA 3.19Å; I115-F132 HydrophobicContact CD1-CB 4.13Å; I115-F132 HydrophobicContact CG1-CB 3.68Å; I115-F132 PolarHBondContact N-O 2.84Å; I115-F132 PolarHBondContact O-N 2.81Å; I115-L134 HydrophobicContact CD1-CD2 3.97Å; I115-L134 HydrophobicContact CG1-CD2 4.15Å; I115-L134 HydrophobicContact CG2-CD1 3.73Å; I115-L134 HydrophobicContact CG2-CD2 4.24Å; I115-L134 HydrophobicContact CG2-CG 4.02Å
116M94.1Very high87.4Confident0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-117.3142.1170.8172.9-167.365.800108.8C106 G107 L129 N130 Y131 A159 W161 V168C106-M116 CarbonylContact C-O 3.6Å; C106-M116 WeakPolarHBondContact CA-O 3.11Å; G107-M116 PolarHBondContact N-O 2.98Å; G107-M116 PolarHBondContact O-N 2.89Å; M116-L129 HydrophobicContact CG-CD1 3.61Å; M116-L129 HydrophobicContact CG-CG 3.98Å; M116-L129 HydrophobicContact SD-CD1 3.58Å; M116-L129 VanDerWaalsContact SD-CD1 3.58Å; M116-L129 HydrophobicContact SD-CD2 3.95Å; M116-L129 HydrophobicContact SD-CG 3.96Å; M116-N130 WeakPolarHBondContact CA-O 3.11Å; M116-Y131 HydrophobicContact CB-CD1 4.04Å; M116-Y131 HydrophobicContact CB-CE1 4.1Å; M116-Y131 HydrophobicContact CG-CD1 4.28Å; M116-Y131 HydrophobicContact CG-CE1 4.02Å; M116-Y131 HydrophobicContact SD-CE1 4.16Å; M116-A159 HydrophobicContact CE-CB 3.77Å; M116-A159 HydrophobicContact SD-CB 4.35Å; M116-W161 HydrophobicContact CB-CZ2 3.54Å; M116-V168 HydrophobicContact CE-CG1 3.83Å; M116-V168 HydrophobicContact CE-CG2 4.3Å; M116-V168 HydrophobicContact SD-CB 3.91Å; M116-V168 HydrophobicContact SD-CG1 3.28Å; M116-V168 WeakPolarHBondContact SD-CG1 3.39Å; M116-V168 HydrophobicContact SD-CG2 3.4Å; M116-V168 WeakPolarHBondContact SD-CG2 3.2Å
117F94.3Very high87.1Confident3 Ų348.5 Ų48.51%0.01326%0.259CS..EExtended strand (participates in β ladder)trans-143.9149.4162.763.8-95.7000112.1C83 L97 T99 V103 T105 C106 T119 N130 F132C83-F117 HydrophobicContact CB-CD1 4.36Å; C83-F117 HydrophobicContact CB-CE1 4.46Å; L97-F117 HydrophobicContact CD1-CE1 4.01Å; T99-F117 HydrophobicContact CG2-CD2 4.24Å; T99-F117 HydrophobicContact CG2-CE2 3.38Å; T99-F117 HydrophobicContact CG2-CZ 3.77Å; V103-F117 HydrophobicContact CG1-CB 3.86Å; V103-F117 HydrophobicContact CG1-CD2 4.37Å; V103-F117 HydrophobicContact CG1-CG 4.44Å; V103-F117 HydrophobicContact CG2-CD2 4.25Å; T105-F117 CarbonylContact O-C 3.52Å; T105-F117 WeakPolarHBondContact O-CA 3.42Å; T105-F117 WeakPolarHBondContact O-CB 3.3Å; C106-F117 HydrophobicContact CB-CB 4.09Å; F117-T119 HydrophobicContact CD2-CG2 4.44Å; F117-T119 HydrophobicContact CE2-CG2 4.25Å; F117-N130 HydrophobicContact CD2-CB 4.23Å; F117-N130 HydrophobicContact CE1-CB 4.19Å; F117-N130 HydrophobicContact CE2-CB 3.76Å; F117-N130 HydrophobicContact CZ-CB 3.76Å; F117-N130 PolarHBondContact N-O 3.25Å; F117-N130 PolarHBondContact O-N 2.83Å; F117-F132 HydrophobicContact CD1-CD2 4.3Å; F117-F132 AromaticContact CE1-CD2 3.38Å; F117-F132 HydrophobicContact CE1-CD2 3.38Å; F117-F132 AromaticContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CG 4.45Å; F117-F132 HydrophobicContact CE1-CZ 4.3Å; F117-F132 AromaticContact CZ-CD2 3.97Å; F117-F132 HydrophobicContact CZ-CD2 3.97Å; F117-F132 AromaticContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CZ 4.23Å
118S93.5Very high86.9Confident0 Ų050.8 Ų50.80%027%0.267CS..EExtended strand (participates in β ladder)trans-103.4140.3176.867.60000111.1V103 R104 T105 F128V103-S118 CarbonylContact C-O 3.53Å; V103-S118 WeakPolarHBondContact CA-O 3.45Å; R104-S118 PolarHBondContact N-O 2.67Å; T105-S118 PolarHBondContact N-OG 2.99Å; T105-S118 PolarHBondContact O-N 2.86Å; T105-S118 WeakPolarHBondContact OG1-CB 3.33Å; T105-S118 PolarHBondContact OG1-OG 3.17Å; S118-F128 WeakPolarHBondContact CA-O 3.4Å
119T91.9Very high86.8Confident2 Ų250.4 Ų50.41%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-97.7144.6172.762.90000111.1A102 F117 C127 F128A102-T119 CarbonylContact O-C 3.51Å; A102-T119 WeakPolarHBondContact O-CA 3.48Å; F117-T119 HydrophobicContact CD2-CG2 4.44Å; F117-T119 HydrophobicContact CE2-CG2 4.25Å; T119-C127 PolarHBondContact O-SG 3.04Å; T119-F128 PolarHBondContact N-O 3.26Å; T119-F128 PolarHBondContact OG1-N 3.29Å; T119-F128 PolarHBondContact OG1-O 3.37Å
120D88.8Confident86.9Confident21 Ų2150.8 Ų50.811%0.11227%0.268CS..PPolyproline II helixtrans-69.8157.7174.4-153.9-6.9000111.2S101 A102 R104 K155S101-D120 PolarHBondContact OG-O 3.03Å; A102-D120 HydrophobicContact CB-CB 4.44Å; A102-D120 PolarHBondContact O-N 2.96Å; R104-D120 HydrophobicContact CG-CB 3.59Å; D120-K155 WeakPolarHBondContact OD1-CD 3.43Å; D120-K155 IonicContact OD1-NZ 2.9Å; D120-K155 PolarHBondContact OD1-NZ 3.03Å; D120-K155 IonicContact OD2-NZ 3.25Å
121K84.8Confident87.3Confident107 Ų10746.2 Ų46.247%0.46525%0.248SC..  trans-88.5112168.4-176.5178.3-179.9172.60108.5C127 K155K121-C127 HydrophobicContact CB-CB 4.25Å; K121-K155 HydrophobicContact CB-CB 3.84Å; K121-K155 HydrophobicContact CB-CD 4.14Å
122Q78.9Confident87.6Confident84 Ų8442.8 Ų42.839%0.39322%0.224SC..BIsolated β-bridgetrans-118.2168.2174.7-69.2179.9-10.800110.4S101 G124 Y125S101-Q122 WeakPolarHBondContact OG-CG 3.38Å; S101-Q122 PolarHBondContact OG-OE1 3.4Å; Q122-G124 PolarHBondContact O-N 2.86Å; Q122-Y125 PolarHBondContact N-O 3.15Å; Q122-Y125 PolarHBondContact O-N 2.82Å; Q122-Y125 VanDerWaalsContact O-O 3.06Å
123M71.3Confident87.8Confident198 Ų19843.7 Ų43.798%0.97523%0.227SC*.THydrogen-bonded Turntrans-57.4111.7-179.5-66.9-156.6-169.400110.7
124G71.7Confident87.7Confident83 Ų8342.5 Ų42.586%0.85622%0.221SC*.THydrogen-bonded Turntrans95.5-10.9-179.400000115.9Q122Q122-G124 PolarHBondContact O-N 2.86Å
125Y80.6Confident87.4Confident120 Ų12048.6 Ų48.647%0.47124%0.241SC..BIsolated β-bridgetrans-117.3132.1179.3-64.5-74.4000111.6Q122Q122-Y125 PolarHBondContact N-O 3.15Å; Q122-Y125 PolarHBondContact O-N 2.82Å; Q122-Y125 VanDerWaalsContact O-O 3.06Å
126Q84.4Confident87Confident108 Ų10851.2 Ų51.251%0.50526%0.255SS..  trans-78.9156.5173.9-64.7-173.9-7.200110.8F128Q126-F128 HydrophobicContact CB-CD2 4.46Å; Q126-F128 HydrophobicContact CB-CE1 4.38Å; Q126-F128 HydrophobicContact CB-CE2 3.77Å; Q126-F128 HydrophobicContact CB-CZ 3.72Å; Q126-F128 WeakPolarHBondContact O-CD2 3.25Å; Q126-F128 WeakPolarHBondContact O-CE2 3.48Å
127C88Confident86.2Confident1 Ų154.9 Ų54.91%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-76.7127.3171.2177.80000108.5T119 K121 C151 K155 I156T119-C127 PolarHBondContact O-SG 3.04Å; K121-C127 HydrophobicContact CB-CB 4.25Å; C127-C151 HydrophobicContact CB-CB 4.27Å; C127-C151 PolarHBondContact O-N 2.94Å; C127-K155 HydrophobicContact CB-CB 4.08Å; C127-I156 PolarHBondContact SG-N 3.44Å
128F90.3Very high85.6Confident53 Ų5360.9 Ų60.923%0.23231%0.307CS..EExtended strand (participates in β ladder)trans-125.5142.9178-63.9-76000109.8S118 T119 Q126 T148 V149 P150S118-F128 WeakPolarHBondContact CA-O 3.4Å; T119-F128 PolarHBondContact N-O 3.26Å; T119-F128 PolarHBondContact OG1-N 3.29Å; T119-F128 PolarHBondContact OG1-O 3.37Å; Q126-F128 HydrophobicContact CB-CD2 4.46Å; Q126-F128 HydrophobicContact CB-CE1 4.38Å; Q126-F128 HydrophobicContact CB-CE2 3.77Å; Q126-F128 HydrophobicContact CB-CZ 3.72Å; Q126-F128 WeakPolarHBondContact O-CD2 3.25Å; Q126-F128 WeakPolarHBondContact O-CE2 3.48Å; F128-T148 HydrophobicContact CB-CG2 3.88Å; F128-T148 HydrophobicContact CD1-CG2 3.47Å; F128-T148 VanDerWaalsContact CD1-CG2 3.47Å; F128-T148 HydrophobicContact CE1-CG2 4.25Å; F128-T148 HydrophobicContact CG-CG2 3.89Å; F128-V149 WeakPolarHBondContact CA-O 3.46Å; F128-P150 HydrophobicContact CD1-CB 4.09Å; F128-P150 HydrophobicContact CE1-CB 3.9Å
129L91.4Very high84.9Confident0 Ų062.3 Ų62.30%031%0.314CS..EExtended strand (participates in β ladder)trans-100.8115.3164.4-166.664.7000107.6M116 Y131 T148 V149 I156 V168 F180M116-L129 HydrophobicContact CG-CD1 3.61Å; M116-L129 HydrophobicContact CG-CG 3.98Å; M116-L129 HydrophobicContact SD-CD1 3.58Å; M116-L129 VanDerWaalsContact SD-CD1 3.58Å; M116-L129 HydrophobicContact SD-CD2 3.95Å; M116-L129 HydrophobicContact SD-CG 3.96Å; L129-Y131 HydrophobicContact CD2-CE2 4.06Å; L129-Y131 VanDerWaalsContact CD2-OH 3.23Å; L129-Y131 WeakPolarHBondContact CD2-OH 3.21Å; L129-Y131 HydrophobicContact CG-CE2 4.02Å; L129-T148 WeakPolarHBondContact O-CA 3.49Å; L129-V149 HydrophobicContact CB-CB 4.21Å; L129-V149 PolarHBondContact N-O 2.71Å; L129-V149 PolarHBondContact O-N 2.69Å; L129-I156 HydrophobicContact CB-CD1 4.17Å; L129-I156 HydrophobicContact CD1-CD1 4.18Å; L129-I156 HydrophobicContact CD2-CD1 4.41Å; L129-V168 HydrophobicContact CD2-CB 4.48Å; L129-V168 HydrophobicContact CD2-CG1 4.07Å; L129-F180 HydrophobicContact CD2-CD2 4.33Å; L129-F180 HydrophobicContact CD2-CG 4.48Å
130N92.8Very high84.3Confident16 Ų1664 Ų649%0.08632%0.322CS..EExtended strand (participates in β ladder)trans-108.6140.2-175.3-60.8-73.5000109.9M116 F117 F132 P145 T148M116-N130 WeakPolarHBondContact CA-O 3.11Å; F117-N130 HydrophobicContact CD2-CB 4.23Å; F117-N130 HydrophobicContact CE1-CB 4.19Å; F117-N130 HydrophobicContact CE2-CB 3.76Å; F117-N130 HydrophobicContact CZ-CB 3.76Å; F117-N130 PolarHBondContact N-O 3.25Å; F117-N130 PolarHBondContact O-N 2.83Å; N130-F132 HydrophobicContact CB-CE2 4.18Å; N130-P145 HydrophobicContact CB-CB 4.21Å; N130-P145 HydrophobicContact CB-CG 4.47Å; N130-T148 VanDerWaalsContact OD1-CG2 3.3Å; N130-T148 WeakPolarHBondContact OD1-CG2 3.25Å; N130-T148 PolarHBondContact OD1-OG1 2.58Å
131Y92.4Very high83.8Confident0 Ų070.5 Ų70.50%035%0.352CS..EExtended strand (participates in β ladder)trans-120.6132.7175.9-58-97.4000109.7I114 I115 M116 L129 P145 Y146 L147 V149 W161 V168 A182I114-Y131 HydrophobicContact CG2-CD1 4.42Å; I115-Y131 WeakPolarHBondContact O-CA 3.19Å; M116-Y131 HydrophobicContact CB-CD1 4.04Å; M116-Y131 HydrophobicContact CB-CE1 4.1Å; M116-Y131 HydrophobicContact CG-CD1 4.28Å; M116-Y131 HydrophobicContact CG-CE1 4.02Å; M116-Y131 HydrophobicContact SD-CE1 4.16Å; L129-Y131 HydrophobicContact CD2-CE2 4.06Å; L129-Y131 VanDerWaalsContact CD2-OH 3.23Å; L129-Y131 WeakPolarHBondContact CD2-OH 3.21Å; L129-Y131 HydrophobicContact CG-CE2 4.02Å; Y131-P145 WeakPolarHBondContact O-CA 3.32Å; Y131-P145 WeakPolarHBondContact O-CB 3.35Å; Y131-Y146 VanDerWaalsContact CB-CE1 3.43Å; Y131-Y146 VanDerWaalsContact CB-CZ 3.43Å; Y131-Y146 WeakPolarHBondContact CB-OH 3.33Å; Y131-Y146 VanDerWaalsContact O-CD1 3.27Å; Y131-Y146 WeakPolarHBondContact O-CD1 3.23Å; Y131-Y146 PolarHBondContact O-N 2.9Å; Y131-Y146 VanDerWaalsContact O-N 3.14Å; Y131-L147 HydrophobicContact CD2-CB 4.03Å; Y131-L147 HydrophobicContact CD2-CD2 3.78Å; Y131-L147 HydrophobicContact CD2-CG 3.9Å; Y131-L147 HydrophobicContact CE2-CD2 3.98Å; Y131-L147 HydrophobicContact CE2-CG 4.38Å; Y131-L147 HydrophobicContact CG-CB 4.47Å; Y131-L147 HydrophobicContact CG-CD2 4.44Å; Y131-L147 PolarHBondContact N-O 3.36Å; Y131-V149 HydrophobicContact CE2-CG2 3.96Å; Y131-W161 AromaticContact CD1-CH2 3.59Å; Y131-W161 HydrophobicContact CD1-CH2 3.59Å; Y131-W161 AromaticContact CD1-CZ2 3.9Å; Y131-W161 HydrophobicContact CD1-CZ2 3.9Å; Y131-W161 AromaticContact CE1-CH2 3.51Å; Y131-W161 HydrophobicContact CE1-CH2 3.51Å; Y131-W161 AromaticContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ3 4.14Å; Y131-V168 HydrophobicContact CE1-CG2 3.78Å; Y131-V168 WeakPolarHBondContact OH-CG2 3.42Å; Y131-A182 HydrophobicContact CE1-CB 4.5Å
132F91.3Very high83.6Confident3 Ų370.4 Ų70.41%0.01336%0.357CS..EExtended strand (participates in β ladder)trans-124.7138.3177.2-79.2-105.4000109.5L97 I114 I115 F117 N130 Q139 P145L97-F132 HydrophobicContact CD1-CD1 4.08Å; L97-F132 HydrophobicContact CD1-CD2 4.28Å; L97-F132 HydrophobicContact CD1-CE1 4.22Å; L97-F132 HydrophobicContact CD1-CE2 4.41Å; L97-F132 HydrophobicContact CD1-CG 4.1Å; L97-F132 HydrophobicContact CD1-CZ 4.37Å; L97-F132 HydrophobicContact CD2-CD1 4.06Å; L97-F132 HydrophobicContact CD2-CE1 3.75Å; L97-F132 HydrophobicContact CD2-CZ 4.31Å; I114-F132 WeakPolarHBondContact CA-O 3.1Å; I115-F132 HydrophobicContact CD1-CB 4.13Å; I115-F132 HydrophobicContact CG1-CB 3.68Å; I115-F132 PolarHBondContact N-O 2.84Å; I115-F132 PolarHBondContact O-N 2.81Å; F117-F132 HydrophobicContact CD1-CD2 4.3Å; F117-F132 AromaticContact CE1-CD2 3.38Å; F117-F132 HydrophobicContact CE1-CD2 3.38Å; F117-F132 AromaticContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CE2 3.28Å; F117-F132 HydrophobicContact CE1-CG 4.45Å; F117-F132 HydrophobicContact CE1-CZ 4.3Å; F117-F132 AromaticContact CZ-CD2 3.97Å; F117-F132 HydrophobicContact CZ-CD2 3.97Å; F117-F132 AromaticContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CE2 3.37Å; F117-F132 HydrophobicContact CZ-CZ 4.23Å; N130-F132 HydrophobicContact CB-CE2 4.18Å; F132-Q139 HydrophobicContact CD1-CB 4.38Å; F132-P145 HydrophobicContact CD2-CB 3.82Å; F132-P145 HydrophobicContact CE1-CB 4.45Å; F132-P145 HydrophobicContact CE2-CB 3.45Å; F132-P145 VanDerWaalsContact CE2-CB 3.45Å; F132-P145 HydrophobicContact CE2-CG 4.04Å; F132-P145 HydrophobicContact CG-CB 4.47Å; F132-P145 HydrophobicContact CZ-CB 3.82Å; F132-P145 HydrophobicContact CZ-CG 4.15Å
133D90.1Very high83.8Confident24 Ų2468.9 Ų68.913%0.12835%0.351CS..EExtended strand (participates in β ladder)trans-95.6116.4171.2-167.5-20000108.7R135 D136 Y146D133-R135 PolarHBondContact O-N 2.86Å; D133-R135 VanDerWaalsContact OD1-CB 3.28Å; D133-R135 WeakPolarHBondContact OD1-CB 3.4Å; D133-R135 WeakPolarHBondContact OD1-CG 3.23Å; D133-R135 IonicContact OD1-CZ 3.44Å; D133-R135 PolarHBondContact OD1-N 2.83Å; D133-R135 IonicContact OD1-NE 3.29Å; D133-R135 PolarHBondContact OD1-NE 3.49Å; D133-R135 IonicContact OD1-NH2 3.63Å; D133-R135 IonicContact OD2-CZ 3.31Å; D133-R135 IonicContact OD2-NE 3.79Å; D133-R135 PolarHBondContact OD2-NE 3.36Å; D133-R135 IonicContact OD2-NH2 2.63Å; D133-R135 PolarHBondContact OD2-NH2 3.28Å; D133-D136 PolarHBondContact O-N 3.19Å; D133-Y146 HydrophobicContact CB-CD1 4.16Å; D133-Y146 HydrophobicContact CB-CE1 4.43Å
134L85.9Confident84.5Confident35 Ų3565.8 Ų65.818%0.18334%0.335CS..THydrogen-bonded Turntrans-69.9-15.1179.9-62.4-176.8000112.9L85 F108 N113 I115 D136 I140L85-L134 HydrophobicContact CD1-CD1 4.43Å; L85-L134 HydrophobicContact CD2-CD1 4.41Å; L85-L134 HydrophobicContact CD2-CD2 4.1Å; F108-L134 HydrophobicContact CE1-CD1 3.82Å; N113-L134 WeakPolarHBondContact O-CB 3.37Å; N113-L134 PolarHBondContact O-N 3.02Å; I115-L134 HydrophobicContact CD1-CD2 3.97Å; I115-L134 HydrophobicContact CG1-CD2 4.15Å; I115-L134 HydrophobicContact CG2-CD1 3.73Å; I115-L134 HydrophobicContact CG2-CD2 4.24Å; I115-L134 HydrophobicContact CG2-CG 4.02Å; L134-D136 VanDerWaalsContact C-N 3.3Å; L134-I140 HydrophobicContact CD2-CD1 4.11Å
135R85.7Confident85.2Confident161 Ų16163.7 Ų63.761%0.60831%0.306SS*.THydrogen-bonded Turntrans-78.8-16.5179-58.6172.7-65.11794113N113 D133 P137N113-R135 HydrophobicContact CB-CG 4.08Å; D133-R135 PolarHBondContact O-N 2.86Å; D133-R135 VanDerWaalsContact OD1-CB 3.28Å; D133-R135 WeakPolarHBondContact OD1-CB 3.4Å; D133-R135 WeakPolarHBondContact OD1-CG 3.23Å; D133-R135 IonicContact OD1-CZ 3.44Å; D133-R135 PolarHBondContact OD1-N 2.83Å; D133-R135 IonicContact OD1-NE 3.29Å; D133-R135 PolarHBondContact OD1-NE 3.49Å; D133-R135 IonicContact OD1-NH2 3.63Å; D133-R135 IonicContact OD2-CZ 3.31Å; D133-R135 IonicContact OD2-NE 3.79Å; D133-R135 PolarHBondContact OD2-NE 3.36Å; D133-R135 IonicContact OD2-NH2 2.63Å; D133-R135 PolarHBondContact OD2-NH2 3.28Å; R135-P137 WeakPolarHBondContact O-CD 3.35Å
136D84.1Confident85.6Confident56 Ų5662.4 Ų62.430%0.29930%0.301SS..  trans-105.697.4179.2-172.7-0.7000109.7D133 L134 Q138 Q139D133-D136 PolarHBondContact O-N 3.19Å; L134-D136 VanDerWaalsContact C-N 3.3Å; D136-Q138 PolarHBondContact O-N 2.91Å; D136-Q138 VanDerWaalsContact O-N 3.14Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.3Å; D136-Q138 PolarHBondContact OD1-N 2.95Å; D136-Q139 HydrophobicContact CB-CG 4.07Å; D136-Q139 PolarHBondContact O-N 2.9Å; D136-Q139 VanDerWaalsContact O-N 3.15Å; D136-Q139 PolarHBondContact OD2-NE2 3.34Å; D136-Q139 VanDerWaalsContact OD2-NE2 3.17Å
137P78Confident85.9Confident77 Ų7758.7 Ų58.750%0.528%0.284SS..Hα-helixtrans-60.8-26.3-178.1-21.533.9000112.7R135 Q139 I140 E141R135-P137 WeakPolarHBondContact O-CD 3.35Å; P137-Q139 VanDerWaalsContact C-N 3.29Å; P137-Q139 PolarHBondContact O-N 2.83Å; P137-I140 PolarHBondContact O-N 2.65Å; P137-E141 WeakPolarHBondContact O-CG 3.48Å; P137-E141 PolarHBondContact O-N 3.15Å
138Q81.5Confident86Confident130 Ų13061.5 Ų61.561%0.60730%0.301SS*.Hα-helixtrans-64-36.3179.8-64.2-174-13.300111.3D136 I140 E141 D142D136-Q138 PolarHBondContact O-N 2.91Å; D136-Q138 VanDerWaalsContact O-N 3.14Å; D136-Q138 WeakPolarHBondContact OD1-CB 3.3Å; D136-Q138 PolarHBondContact OD1-N 2.95Å; Q138-I140 VanDerWaalsContact C-N 3.26Å; Q138-I140 PolarHBondContact O-N 3.03Å; Q138-E141 PolarHBondContact O-N 2.92Å; Q138-D142 VanDerWaalsContact O-CB 3.25Å; Q138-D142 WeakPolarHBondContact O-CB 2.93Å; Q138-D142 PolarHBondContact O-N 2.84Å
139Q79.6Confident86.1Confident29 Ų2959.4 Ų59.414%0.13629%0.293CS..Hα-helixtrans-63.6-34.9177.3-69.2178.419.200112.3F132 D136 P137 N143 Q144F132-Q139 HydrophobicContact CD1-CB 4.38Å; D136-Q139 HydrophobicContact CB-CG 4.07Å; D136-Q139 PolarHBondContact O-N 2.9Å; D136-Q139 VanDerWaalsContact O-N 3.15Å; D136-Q139 PolarHBondContact OD2-NE2 3.34Å; D136-Q139 VanDerWaalsContact OD2-NE2 3.17Å; P137-Q139 VanDerWaalsContact C-N 3.29Å; P137-Q139 PolarHBondContact O-N 2.83Å; Q139-N143 CarbonylContact O-C 3.5Å; Q139-N143 VanDerWaalsContact O-CA 3.25Å; Q139-N143 WeakPolarHBondContact O-CA 3.42Å; Q139-N143 PolarHBondContact O-N 3.17Å; Q139-Q144 WeakPolarHBondContact CB-O 3.41Å; Q139-Q144 PolarHBondContact O-N 2.79Å
140I78.3Confident85.9Confident38 Ų3863.3 Ų63.320%0.19532%0.318CS..Hα-helixtrans-76.4-44178.9-59.3177000110.2A95 L97 L134 P137 Q138 N143A95-I140 HydrophobicContact CB-CG2 3.55Å; L97-I140 HydrophobicContact CD2-CB 4.44Å; L97-I140 HydrophobicContact CD2-CG2 4.1Å; L134-I140 HydrophobicContact CD2-CD1 4.11Å; P137-I140 PolarHBondContact O-N 2.65Å; Q138-I140 VanDerWaalsContact C-N 3.26Å; Q138-I140 PolarHBondContact O-N 3.03Å; I140-N143 PolarHBondContact O-N 3.42Å
141E77.8Confident85.5Confident157 Ų15763 Ų6373%0.73432%0.317SS*.Hα-helixtrans-66.4-44.4179.2-72.2-177.2179.500112.2P137 Q138 N143P137-E141 WeakPolarHBondContact O-CG 3.48Å; P137-E141 PolarHBondContact O-N 3.15Å; Q138-E141 PolarHBondContact O-N 2.92Å; E141-N143 VanDerWaalsContact C-N 3.28Å
142D81.8Confident84.5Confident106 Ų10666.1 Ų66.157%0.56734%0.343SS*.THydrogen-bonded Turntrans-82.7-8.5178.8-66.6-31.3000112.7Q138 Q144Q138-D142 VanDerWaalsContact O-CB 3.25Å; Q138-D142 WeakPolarHBondContact O-CB 2.93Å; Q138-D142 PolarHBondContact O-N 2.84Å; D142-Q144 HydrophobicContact CB-CG 4.34Å; D142-Q144 PolarHBondContact O-N 2.85Å
143N83.8Confident83.8Confident52 Ų5273 Ų7328%0.27838%0.375SS..THydrogen-bonded Turntrans53.440.1-178.4-173.455.6000112.4L97 N98 Q139 I140 E141L97-N143 WeakPolarHBondContact CA-OD1 3.32Å; N98-N143 PolarHBondContact N-OD1 3.27Å; N98-N143 PolarHBondContact O-ND2 3.18Å; N98-N143 PolarHBondContact O-OD1 3.29Å; Q139-N143 CarbonylContact O-C 3.5Å; Q139-N143 VanDerWaalsContact O-CA 3.25Å; Q139-N143 WeakPolarHBondContact O-CA 3.42Å; Q139-N143 PolarHBondContact O-N 3.17Å; I140-N143 PolarHBondContact O-N 3.42Å; E141-N143 VanDerWaalsContact C-N 3.28Å
144Q84.9Confident83.5Confident133 Ų13372.4 Ų72.462%0.62137%0.373SS*.  trans-112114.9178.9-69.4-169.51100110.2Q139 D142Q139-Q144 WeakPolarHBondContact CB-O 3.41Å; Q139-Q144 PolarHBondContact O-N 2.79Å; D142-Q144 HydrophobicContact CB-CG 4.34Å; D142-Q144 PolarHBondContact O-N 2.85Å
145P87.4Confident83.7Confident39 Ų3972.6 Ų72.625%0.25337%0.372SS..  trans-64.3145.5171.624.3-30.2000110.4N130 Y131 F132 L147 T148N130-P145 HydrophobicContact CB-CB 4.21Å; N130-P145 HydrophobicContact CB-CG 4.47Å; Y131-P145 WeakPolarHBondContact O-CA 3.32Å; Y131-P145 WeakPolarHBondContact O-CB 3.35Å; F132-P145 HydrophobicContact CD2-CB 3.82Å; F132-P145 HydrophobicContact CE1-CB 4.45Å; F132-P145 HydrophobicContact CE2-CB 3.45Å; F132-P145 VanDerWaalsContact CE2-CB 3.45Å; F132-P145 HydrophobicContact CE2-CG 4.04Å; F132-P145 HydrophobicContact CG-CB 4.47Å; F132-P145 HydrophobicContact CZ-CB 3.82Å; F132-P145 HydrophobicContact CZ-CG 4.15Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 3.17Å; P145-T148 WeakPolarHBondContact CG-OG1 3.23Å
146Y88.5Confident84.1Confident92 Ų9264.9 Ų64.936%0.36134%0.343SS..SBendtrans-72.4-25.617377.2-95.6000112.1I114 Y131 D133I114-Y146 HydrophobicContact CG2-CE1 4.05Å; Y131-Y146 VanDerWaalsContact CB-CE1 3.43Å; Y131-Y146 VanDerWaalsContact CB-CZ 3.43Å; Y131-Y146 WeakPolarHBondContact CB-OH 3.33Å; Y131-Y146 VanDerWaalsContact O-CD1 3.27Å; Y131-Y146 WeakPolarHBondContact O-CD1 3.23Å; Y131-Y146 PolarHBondContact O-N 2.9Å; Y131-Y146 VanDerWaalsContact O-N 3.14Å; D133-Y146 HydrophobicContact CB-CD1 4.16Å; D133-Y146 HydrophobicContact CB-CE1 4.43Å
147L90.1Very high84.5Confident31 Ų3162.6 Ų62.616%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-141.6130.8177.2179.166.4000110.6Y131 P145 V149 A182Y131-L147 HydrophobicContact CD2-CB 4.03Å; Y131-L147 HydrophobicContact CD2-CD2 3.78Å; Y131-L147 HydrophobicContact CD2-CG 3.9Å; Y131-L147 HydrophobicContact CE2-CD2 3.98Å; Y131-L147 HydrophobicContact CE2-CG 4.38Å; Y131-L147 HydrophobicContact CG-CB 4.47Å; Y131-L147 HydrophobicContact CG-CD2 4.44Å; Y131-L147 PolarHBondContact N-O 3.36Å; P145-L147 VanDerWaalsContact C-N 3.27Å; P145-L147 PolarHBondContact O-N 3.17Å; L147-V149 HydrophobicContact CD2-CG2 4.37Å; L147-V149 HydrophobicContact CG-CG2 4.21Å; L147-A182 WeakPolarHBondContact CD2-O 3.33Å
148T90.9Very high85.3Confident59 Ų5959.3 Ų59.336%0.36231%0.31SS..EExtended strand (participates in β ladder)trans-128122.3173.7-650000109.4F128 L129 N130 P145F128-T148 HydrophobicContact CB-CG2 3.88Å; F128-T148 HydrophobicContact CD1-CG2 3.47Å; F128-T148 VanDerWaalsContact CD1-CG2 3.47Å; F128-T148 HydrophobicContact CE1-CG2 4.25Å; F128-T148 HydrophobicContact CG-CG2 3.89Å; L129-T148 WeakPolarHBondContact O-CA 3.49Å; N130-T148 VanDerWaalsContact OD1-CG2 3.3Å; N130-T148 WeakPolarHBondContact OD1-CG2 3.25Å; N130-T148 PolarHBondContact OD1-OG1 2.58Å; P145-T148 WeakPolarHBondContact CG-OG1 3.23Å
149V91.1Very high85.9Confident10 Ų1053.4 Ų53.46%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-105.8114.3179.9-175.30000109.7F128 L129 Y131 L147 C151 F180 G185F128-V149 WeakPolarHBondContact CA-O 3.46Å; L129-V149 HydrophobicContact CB-CB 4.21Å; L129-V149 PolarHBondContact N-O 2.71Å; L129-V149 PolarHBondContact O-N 2.69Å; Y131-V149 HydrophobicContact CE2-CG2 3.96Å; L147-V149 HydrophobicContact CD2-CG2 4.37Å; L147-V149 HydrophobicContact CG-CG2 4.21Å; V149-C151 PolarHBondContact O-N 2.84Å; V149-F180 HydrophobicContact CG1-CD1 3.87Å; V149-F180 HydrophobicContact CG1-CE1 3.89Å; V149-G185 WeakPolarHBondContact CG1-O 3.42Å
150P87.3Confident86.6Confident81 Ų8152.7 Ų52.753%0.52628%0.281SS..EExtended strand (participates in β ladder)trans-73.8122.317728.5-32.3000111.3F128F128-P150 HydrophobicContact CD1-CB 4.09Å; F128-P150 HydrophobicContact CE1-CB 3.9Å
151C84.8Confident87.4Confident10 Ų1051.8 Ų51.87%0.06828%0.275CS..EExtended strand (participates in β ladder)trans-105.178.2174.8-68.50000109.9C127 V149 I156C127-C151 HydrophobicContact CB-CB 4.27Å; C127-C151 PolarHBondContact O-N 2.94Å; V149-C151 PolarHBondContact O-N 2.84Å; C151-I156 HydrophobicContact CB-CD1 4.28Å; C151-I156 HydrophobicContact CB-CG1 4.38Å; C151-I156 WeakPolarHBondContact SG-CD1 3.42Å
152A71.3Confident88Confident65 Ų6544.4 Ų44.454%0.53724%0.241SC..  trans-76.4-33.2-171.800000114.1
153E76.1Confident88.4Confident147 Ų14740.6 Ų40.669%0.68722%0.222SC*.SBendtrans-70.3-52.9-172.3-63.5-171.4160.200112.5K190E153-K190 IonicContact OE2-NZ 3.48Å; E153-K190 PolarHBondContact OE2-NZ 2.91Å
154S85.4Confident88.4Confident12 Ų1244.2 Ų44.28%0.08424%0.241CC..SBendtrans-144.8143.6-180-171.50000109.8H172 E173 N174S154-H172 PolarHBondContact O-ND1 2.57Å; S154-E173 PolarHBondContact OG-N 3.4Å; S154-N174 WeakPolarHBondContact CB-ND2 3.12Å; S154-N174 PolarHBondContact OG-N 3.16Å
155K90.1Very high88.5Confident39 Ų3938.5 Ų38.517%0.1722%0.218CC..  trans-71.8144.1179.461.5168.9178.4-1790111.2D120 K121 C127 H172 E173D120-K155 WeakPolarHBondContact OD1-CD 3.43Å; D120-K155 IonicContact OD1-NZ 2.9Å; D120-K155 PolarHBondContact OD1-NZ 3.03Å; D120-K155 IonicContact OD2-NZ 3.25Å; K121-K155 HydrophobicContact CB-CB 3.84Å; K121-K155 HydrophobicContact CB-CD 4.14Å; C127-K155 HydrophobicContact CB-CB 4.08Å; K155-H172 WeakPolarHBondContact O-CA 3.26Å; K155-E173 VanDerWaalsContact CE-CD 3.4Å; K155-E173 WeakPolarHBondContact CE-OE1 3.46Å; K155-E173 WeakPolarHBondContact CE-OE2 3.23Å; K155-E173 HydrophobicContact CG-CB 3.98Å; K155-E173 VanDerWaalsContact CG-OE2 3.31Å; K155-E173 WeakPolarHBondContact CG-OE2 3.28Å; K155-E173 PolarHBondContact O-N 3.36Å; K155-E173 VanDerWaalsContact O-N 3.13Å
156I92.5Very high88.6Confident0 Ų041.5 Ų41.50%023%0.228CC..EExtended strand (participates in β ladder)trans-75.9134.6173.2-64.9172.7000108.5C127 L129 C151 S158 A159 A170 G171 F180C127-I156 PolarHBondContact SG-N 3.44Å; L129-I156 HydrophobicContact CB-CD1 4.17Å; L129-I156 HydrophobicContact CD1-CD1 4.18Å; L129-I156 HydrophobicContact CD2-CD1 4.41Å; C151-I156 HydrophobicContact CB-CD1 4.28Å; C151-I156 HydrophobicContact CB-CG1 4.38Å; C151-I156 WeakPolarHBondContact SG-CD1 3.42Å; I156-S158 WeakPolarHBondContact CG2-O 3.01Å; I156-A159 HydrophobicContact CG2-CB 4.07Å; I156-A170 HydrophobicContact CD1-CB 3.93Å; I156-A170 HydrophobicContact CG1-CB 4.06Å; I156-A170 HydrophobicContact CG2-CB 4.04Å; I156-G171 WeakPolarHBondContact CA-O 3.21Å; I156-F180 HydrophobicContact CD1-CE2 4.44Å
157T93.1Very high88.8Confident8 Ų837.8 Ų37.85%0.04921%0.214CC..EExtended strand (participates in β ladder)trans-113.9-38.1-179.449.80000111.5T105 G171 E173 Q197 I198T105-T157 WeakPolarHBondContact CG2-O 3.21Å; T157-G171 PolarHBondContact N-O 3.18Å; T157-G171 PolarHBondContact OG1-O 3.28Å; T157-G171 VanDerWaalsContact OG1-O 3.06Å; T157-E173 HydrophobicContact CG2-CB 4.04Å; T157-Q197 HydrophobicContact CG2-CG 4.03Å; T157-I198 VanDerWaalsContact CB-O 3.23Å; T157-I198 WeakPolarHBondContact CB-O 3.13Å; T157-I198 PolarHBondContact OG1-O 2.9Å
158S93.9Very high89Confident7 Ų736.3 Ų36.35%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-134.9147169.6-168.70000111.2T105 I156 A170 G171 I201T105-S158 VanDerWaalsContact CG2-CA 3.44Å; I156-S158 WeakPolarHBondContact CG2-O 3.01Å; S158-A170 CarbonylContact O-C 3.47Å; S158-A170 WeakPolarHBondContact O-CA 3.48Å; S158-G171 PolarHBondContact O-N 3.44Å; S158-I201 PolarHBondContact OG-N 3.14Å
159A94.9Very high89.2Confident6 Ų633.5 Ų33.55%0.0519%0.189CC..EExtended strand (participates in β ladder)trans-148.8142.3173.700000110.8M116 I156 V168 I169 A170M116-A159 HydrophobicContact CE-CB 3.77Å; M116-A159 HydrophobicContact SD-CB 4.35Å; I156-A159 HydrophobicContact CG2-CB 4.07Å; A159-V168 HydrophobicContact CB-CG1 4.12Å; A159-I169 CarbonylContact C-O 3.43Å; A159-I169 VanDerWaalsContact CA-O 3.3Å; A159-I169 WeakPolarHBondContact CA-O 3.37Å; A159-A170 HydrophobicContact CB-CB 4.1Å
160V94.9Very high89.4Confident15 Ų1533 Ų339%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-138.8150.9-179.2-65.70000110.7V168 I169 I201 T203 V210V160-V168 CarbonylContact O-C 3.59Å; V160-V168 WeakPolarHBondContact O-CA 3.37Å; V160-V168 WeakPolarHBondContact O-CG1 3.41Å; V160-I169 HydrophobicContact CG2-CB 4.12Å; V160-I169 PolarHBondContact N-O 3.21Å; V160-I169 PolarHBondContact O-N 2.97Å; V160-I201 HydrophobicContact CG1-CB 4.41Å; V160-I201 HydrophobicContact CG1-CG2 4.3Å; V160-I201 WeakPolarHBondContact CG1-O 3.16Å; V160-I201 HydrophobicContact CG2-CB 4.42Å; V160-I201 HydrophobicContact CG2-CG2 3.56Å; V160-T203 HydrophobicContact CB-CG2 4.19Å; V160-T203 HydrophobicContact CG2-CG2 3.76Å; V160-V210 HydrophobicContact CG2-CG2 4.31Å
161W94.3Very high89.8Confident19 Ų1929.1 Ų29.17%0.07216%0.161CC..EExtended strand (participates in β ladder)trans-72.9137.2172.8-71.899.5000111.1G107 F108 D109 I114 M116 Y131 V168 A182G107-W161 PolarHBondContact O-NE1 2.58Å; F108-W161 VanDerWaalsContact C-CD1 3.4Å; F108-W161 VanDerWaalsContact C-NE1 3.34Å; F108-W161 PolarHBondContact O-NE1 2.9Å; D109-W161 HydrophobicContact CB-CD2 4.39Å; D109-W161 HydrophobicContact CB-CH2 4.35Å; D109-W161 HydrophobicContact CB-CZ2 4.13Å; I114-W161 HydrophobicContact CG2-CH2 3.83Å; I114-W161 HydrophobicContact CG2-CZ2 3.89Å; M116-W161 HydrophobicContact CB-CZ2 3.54Å; Y131-W161 AromaticContact CD1-CH2 3.59Å; Y131-W161 HydrophobicContact CD1-CH2 3.59Å; Y131-W161 AromaticContact CD1-CZ2 3.9Å; Y131-W161 HydrophobicContact CD1-CZ2 3.9Å; Y131-W161 AromaticContact CE1-CH2 3.51Å; Y131-W161 HydrophobicContact CE1-CH2 3.51Å; Y131-W161 AromaticContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ2 3.93Å; Y131-W161 HydrophobicContact CE1-CZ3 4.14Å; W161-V168 HydrophobicContact CD2-CG2 3.87Å; W161-V168 HydrophobicContact CE3-CG2 3.58Å; W161-V168 HydrophobicContact CH2-CG2 4.26Å; W161-V168 HydrophobicContact CZ2-CG2 4.49Å; W161-V168 HydrophobicContact CZ3-CG2 3.8Å; W161-A182 HydrophobicContact CH2-CB 4.22Å; W161-A182 HydrophobicContact CZ3-CB 3.6Å
162G91.3Very high90.2Very high1 Ų128.9 Ų28.91%0.0116%0.159CC..  trans-80.8179.916900000112.3L164 G165 F167G162-L164 PolarHBondContact O-N 3.09Å; G162-G165 PolarHBondContact O-N 2.98Å; G162-F167 WeakPolarHBondContact CA-O 3.27Å; G162-F167 PolarHBondContact N-O 3.34Å
163P88.9Confident91.3Very high26 Ų2629.8 Ų29.817%0.16915%0.152CC..G310 helixtrans-47.1136.2173.7-2933.7000113.6G165 E166 F167 L207 S224P163-G165 PolarHBondContact O-N 3.48Å; P163-E166 PolarHBondContact O-N 2.78Å; P163-F167 HydrophobicContact CG-CZ 4.3Å; P163-L207 HydrophobicContact CB-CB 4.43Å; P163-L207 WeakPolarHBondContact CD-O 3.48Å; P163-L207 HydrophobicContact CG-CB 3.96Å; P163-L207 WeakPolarHBondContact CG-O 3.4Å; P163-S224 WeakPolarHBondContact CG-OG 3.13Å
164L85.5Confident92Very high129 Ų12925 Ų2568%0.67513%0.131SC*.G310 helixtrans58.112.5172.3-53.2174.2000115.4G162 E166G162-L164 PolarHBondContact O-N 3.09Å; L164-E166 HydrophobicContact CB-CG 4.23Å; L164-E166 PolarHBondContact O-N 3.19Å
165G85.8Confident92.4Very high13 Ų1324.5 Ų24.513%0.13413%0.127CC..G310 helixtrans72.112.5-179.100000114.9D109 G162 P163 A182D109-G165 WeakPolarHBondContact OD1-CA 3.34Å; G162-G165 PolarHBondContact O-N 2.98Å; P163-G165 PolarHBondContact O-N 3.48Å; G165-A182 VanDerWaalsContact O-CB 3.27Å; G165-A182 WeakPolarHBondContact O-CB 3.35Å
166E89.4Confident92.6Very high101 Ų10123.7 Ų23.747%0.47212%0.124SC..SBendtrans-76.6-28.3-174.7-65.9-158.113300113P163 L164 A182P163-E166 PolarHBondContact O-N 2.78Å; L164-E166 HydrophobicContact CB-CG 4.23Å; L164-E166 PolarHBondContact O-N 3.19Å; E166-A182 WeakPolarHBondContact O-CB 3.23Å; E166-A182 PolarHBondContact O-N 2.91Å
167F92.9Very high92.7Very high14 Ų1423.7 Ų23.76%0.06112%0.124CC..EExtended strand (participates in β ladder)trans-148.6163.5-178.858.4-97.5000111.8G162 P163 I169 Q179 F180 L188 S224G162-F167 WeakPolarHBondContact CA-O 3.27Å; G162-F167 PolarHBondContact N-O 3.34Å; P163-F167 HydrophobicContact CG-CZ 4.3Å; F167-I169 HydrophobicContact CD2-CG1 4.07Å; F167-I169 HydrophobicContact CE2-CD1 4.08Å; F167-I169 HydrophobicContact CE2-CG1 3.96Å; F167-Q179 HydrophobicContact CB-CG 3.92Å; F167-Q179 VanDerWaalsContact CD1-NE2 3.27Å; F167-Q179 HydrophobicContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CE1-NE2 3.28Å; F167-Q179 HydrophobicContact CE2-CG 4.08Å; F167-Q179 HydrophobicContact CG-CG 3.8Å; F167-F180 CarbonylContact C-O 3.59Å; F167-F180 WeakPolarHBondContact CA-O 3.17Å; F167-F180 WeakPolarHBondContact CB-O 3.17Å; F167-L188 HydrophobicContact CB-CD1 4.17Å; F167-S224 VanDerWaalsContact CE2-O 3.26Å; F167-S224 WeakPolarHBondContact CE2-O 3.41Å; F167-S224 WeakPolarHBondContact CZ-O 3.36Å
168V94.8Very high92.8Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-116.9136.5175.11690000108.7M116 L129 Y131 A159 V160 W161 Q179 F180M116-V168 HydrophobicContact CE-CG1 3.83Å; M116-V168 HydrophobicContact CE-CG2 4.3Å; M116-V168 HydrophobicContact SD-CB 3.91Å; M116-V168 HydrophobicContact SD-CG1 3.28Å; M116-V168 WeakPolarHBondContact SD-CG1 3.39Å; M116-V168 HydrophobicContact SD-CG2 3.4Å; M116-V168 WeakPolarHBondContact SD-CG2 3.2Å; L129-V168 HydrophobicContact CD2-CB 4.48Å; L129-V168 HydrophobicContact CD2-CG1 4.07Å; Y131-V168 HydrophobicContact CE1-CG2 3.78Å; Y131-V168 WeakPolarHBondContact OH-CG2 3.42Å; A159-V168 HydrophobicContact CB-CG1 4.12Å; V160-V168 CarbonylContact O-C 3.59Å; V160-V168 WeakPolarHBondContact O-CA 3.37Å; V160-V168 WeakPolarHBondContact O-CG1 3.41Å; W161-V168 HydrophobicContact CD2-CG2 3.87Å; W161-V168 HydrophobicContact CE3-CG2 3.58Å; W161-V168 HydrophobicContact CH2-CG2 4.26Å; W161-V168 HydrophobicContact CZ2-CG2 4.49Å; W161-V168 HydrophobicContact CZ3-CG2 3.8Å; V168-Q179 CarbonylContact O-C 3.58Å; V168-Q179 WeakPolarHBondContact O-CA 3.48Å; V168-F180 PolarHBondContact N-O 3.36Å; V168-F180 PolarHBondContact O-N 3.41Å
169I95.6Very high92.8Very high0 Ų023.7 Ų23.70%012%0.123CC..EExtended strand (participates in β ladder)trans-99.7121.7170.8-55.8175.7000107.8A159 V160 F167 I177 N178 V210 L227A159-I169 CarbonylContact C-O 3.43Å; A159-I169 VanDerWaalsContact CA-O 3.3Å; A159-I169 WeakPolarHBondContact CA-O 3.37Å; V160-I169 HydrophobicContact CG2-CB 4.12Å; V160-I169 PolarHBondContact N-O 3.21Å; V160-I169 PolarHBondContact O-N 2.97Å; F167-I169 HydrophobicContact CD2-CG1 4.07Å; F167-I169 HydrophobicContact CE2-CD1 4.08Å; F167-I169 HydrophobicContact CE2-CG1 3.96Å; I169-I177 HydrophobicContact CG2-CG2 3.58Å; I169-N178 CarbonylContact C-O 3.49Å; I169-N178 WeakPolarHBondContact CA-O 3.32Å; I169-V210 HydrophobicContact CD1-CB 4.27Å; I169-V210 HydrophobicContact CD1-CG1 4.04Å; I169-V210 HydrophobicContact CD1-CG2 4.45Å; I169-L227 HydrophobicContact CD1-CD2 4.16Å; I169-L227 HydrophobicContact CG2-CD2 4.28Å
170A95.1Very high92.7Very high0 Ų023.7 Ų23.70%012%0.122CC..EExtended strand (participates in β ladder)trans-118.5137.3177.900000111.5I156 S158 A159 I177 N178 F180I156-A170 HydrophobicContact CD1-CB 3.93Å; I156-A170 HydrophobicContact CG1-CB 4.06Å; I156-A170 HydrophobicContact CG2-CB 4.04Å; S158-A170 CarbonylContact O-C 3.47Å; S158-A170 WeakPolarHBondContact O-CA 3.48Å; A159-A170 HydrophobicContact CB-CB 4.1Å; A170-I177 WeakPolarHBondContact O-CA 3.5Å; A170-N178 PolarHBondContact N-O 2.92Å; A170-N178 PolarHBondContact O-N 2.92Å; A170-F180 HydrophobicContact CB-CD2 4.09Å; A170-F180 HydrophobicContact CB-CE2 3.77Å
171G95.1Very high92.6Very high0 Ų023.7 Ų23.70%012%0.122CC..EExtended strand (participates in β ladder)trans-97.1136.9171.900000110.3I156 T157 S158I156-G171 WeakPolarHBondContact CA-O 3.21Å; T157-G171 PolarHBondContact N-O 3.18Å; T157-G171 PolarHBondContact OG1-O 3.28Å; T157-G171 VanDerWaalsContact OG1-O 3.06Å; S158-G171 PolarHBondContact O-N 3.44Å
172H94.3Very high92.3Very high4 Ų423.1 Ų23.12%0.01912%0.122CC..EExtended strand (participates in β ladder)trans-108.4159.9-177.7-67.4-94.2000112.1S154 K155 N174 G175 E176 N178 I198S154-H172 PolarHBondContact O-ND1 2.57Å; K155-H172 WeakPolarHBondContact O-CA 3.26Å; H172-N174 WeakPolarHBondContact CB-OD1 3.16Å; H172-N174 PolarHBondContact O-N 3.16Å; H172-G175 PolarHBondContact O-N 2.82Å; H172-E176 HydrophobicContact CB-CB 4.3Å; H172-E176 WeakPolarHBondContact CB-O 3.47Å; H172-E176 PolarHBondContact CD2-O 3.34Å; H172-E176 PolarHBondContact N-O 3.47Å; H172-N178 PolarHBondContact CD2-ND2 3.24Å; H172-N178 PolarHBondContact NE2-ND2 2.78Å; H172-I198 PolarHBondContact O-N 2.96Å
173E92.9Very high92.1Very high85 Ų8530.9 Ų30.940%0.39716%0.155SC..THydrogen-bonded Turntrans-64.5-25.8176.1-175.6175.5-146.800113.3S154 K155 T157 G175 Q197S154-E173 PolarHBondContact OG-N 3.4Å; K155-E173 VanDerWaalsContact CE-CD 3.4Å; K155-E173 WeakPolarHBondContact CE-OE1 3.46Å; K155-E173 WeakPolarHBondContact CE-OE2 3.23Å; K155-E173 HydrophobicContact CG-CB 3.98Å; K155-E173 VanDerWaalsContact CG-OE2 3.31Å; K155-E173 WeakPolarHBondContact CG-OE2 3.28Å; K155-E173 PolarHBondContact O-N 3.36Å; K155-E173 VanDerWaalsContact O-N 3.13Å; T157-E173 HydrophobicContact CG2-CB 4.04Å; E173-G175 VanDerWaalsContact C-N 3.29Å; E173-G175 PolarHBondContact O-N 3.21Å; E173-Q197 HydrophobicContact CG-CB 4.19Å; E173-Q197 HydrophobicContact CG-CG 4.3Å; E173-Q197 WeakPolarHBondContact O-CA 3.23Å; E173-Q197 PolarHBondContact O-N 2.86Å; E173-Q197 VanDerWaalsContact O-N 3.16Å
174N92.1Very high92Very high47 Ų4732.2 Ų32.225%0.25117%0.166SC..THydrogen-bonded Turntrans-83.50.4178.267.1-1.5000114.2S154 H172 E176S154-N174 WeakPolarHBondContact CB-ND2 3.12Å; S154-N174 PolarHBondContact OG-N 3.16Å; H172-N174 WeakPolarHBondContact CB-OD1 3.16Å; H172-N174 PolarHBondContact O-N 3.16Å; N174-E176 PolarHBondContact ND2-OE2 2.67Å; N174-E176 VanDerWaalsContact OD1-CB 3.25Å; N174-E176 WeakPolarHBondContact OD1-CB 3.4Å; N174-E176 WeakPolarHBondContact OD1-CG 3.43Å; N174-E176 PolarHBondContact OD1-N 3.31Å
175G92.1Very high92Very high0 Ų026.5 Ų26.50%014%0.137CC..SBendtrans87.58.3-178.300000115.3H172 E173 H194 K196H172-G175 PolarHBondContact O-N 2.82Å; E173-G175 VanDerWaalsContact C-N 3.29Å; E173-G175 PolarHBondContact O-N 3.21Å; G175-H194 PolarHBondContact O-N 3.43Å; G175-H194 VanDerWaalsContact O-N 3.17Å; G175-K196 VanDerWaalsContact CA-O 3.23Å; G175-K196 WeakPolarHBondContact CA-O 3.1Å
176E94.8Very high92.2Very high22 Ų2232.1 Ų32.110%0.10316%0.16CC..EExtended strand (participates in β ladder)trans-83146.6173.5-64.8173.9164.200111.5H172 N174 K190 V191 K192H172-E176 HydrophobicContact CB-CB 4.3Å; H172-E176 WeakPolarHBondContact CB-O 3.47Å; H172-E176 PolarHBondContact CD2-O 3.34Å; H172-E176 PolarHBondContact N-O 3.47Å; N174-E176 PolarHBondContact ND2-OE2 2.67Å; N174-E176 VanDerWaalsContact OD1-CB 3.25Å; N174-E176 WeakPolarHBondContact OD1-CB 3.4Å; N174-E176 WeakPolarHBondContact OD1-CG 3.43Å; N174-E176 PolarHBondContact OD1-N 3.31Å; E176-K190 VanDerWaalsContact CD-NZ 3.29Å; E176-K190 VanDerWaalsContact OE1-CE 3.23Å; E176-K190 WeakPolarHBondContact OE1-CE 3.36Å; E176-K190 IonicContact OE1-NZ 3.17Å; E176-K190 PolarHBondContact OE1-NZ 3.14Å; E176-K190 WeakPolarHBondContact OE2-CE 3.13Å; E176-K190 IonicContact OE2-NZ 3.59Å; E176-K190 PolarHBondContact OE2-NZ 3.06Å; E176-V191 CarbonylContact C-O 3.55Å; E176-V191 WeakPolarHBondContact CA-O 3.13Å; E176-K192 HydrophobicContact CG-CB 3.91Å; E176-K192 HydrophobicContact CG-CD 3.98Å; E176-K192 HydrophobicContact CG-CG 3.79Å
177I95.3Very high92.4Very high1 Ų130.9 Ų30.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-116.9120.1172.3-56.4164.9000106.4I169 A170 V191 I198 T212 F222 L227I169-I177 HydrophobicContact CG2-CG2 3.58Å; A170-I177 WeakPolarHBondContact O-CA 3.5Å; I177-V191 PolarHBondContact N-O 2.84Å; I177-V191 PolarHBondContact O-N 2.96Å; I177-I198 HydrophobicContact CD1-CD1 4.26Å; I177-I198 HydrophobicContact CG1-CD1 3.48Å; I177-I198 VanDerWaalsContact CG1-CD1 3.48Å; I177-T212 HydrophobicContact CD1-CG2 3.7Å; I177-T212 HydrophobicContact CG1-CG2 4.36Å; I177-F222 HydrophobicContact CD1-CD2 3.94Å; I177-F222 HydrophobicContact CD1-CE1 4.14Å; I177-F222 HydrophobicContact CD1-CE2 3.36Å; I177-F222 HydrophobicContact CD1-CZ 3.49Å; I177-F222 VanDerWaalsContact CD1-CZ 3.49Å; I177-L227 HydrophobicContact CG2-CD1 4.29Å; I177-L227 HydrophobicContact CG2-CD2 4.13Å
178N94.4Very high92.3Very high8 Ų834.6 Ų34.64%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-117.1140-178.3-70.2-16.9000110.2I169 A170 H172 F180 K189 K190I169-N178 CarbonylContact C-O 3.49Å; I169-N178 WeakPolarHBondContact CA-O 3.32Å; A170-N178 PolarHBondContact N-O 2.92Å; A170-N178 PolarHBondContact O-N 2.92Å; H172-N178 PolarHBondContact CD2-ND2 3.24Å; H172-N178 PolarHBondContact NE2-ND2 2.78Å; N178-F180 HydrophobicContact CB-CD2 4.26Å; N178-F180 HydrophobicContact CB-CE2 3.57Å; N178-F180 HydrophobicContact CB-CZ 3.93Å; N178-K189 WeakPolarHBondContact CA-O 3.45Å; N178-K190 WeakPolarHBondContact OD1-CB 3.21Å; N178-K190 WeakPolarHBondContact OD1-CG 3.46Å
179Q94.4Very high92.1Very high7 Ų738.5 Ų38.53%0.03320%0.196CC..EExtended strand (participates in β ladder)trans-104.5118.7171.7-168.3179.75.900108.7F167 V168 V187 L188 K189 L227F167-Q179 HydrophobicContact CB-CG 3.92Å; F167-Q179 VanDerWaalsContact CD1-NE2 3.27Å; F167-Q179 HydrophobicContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CD2-CG 3.48Å; F167-Q179 VanDerWaalsContact CE1-NE2 3.28Å; F167-Q179 HydrophobicContact CE2-CG 4.08Å; F167-Q179 HydrophobicContact CG-CG 3.8Å; V168-Q179 CarbonylContact O-C 3.58Å; V168-Q179 WeakPolarHBondContact O-CA 3.48Å; Q179-V187 CarbonylContact O-C 3.58Å; Q179-V187 WeakPolarHBondContact O-CA 3.41Å; Q179-L188 HydrophobicContact CB-CB 4.43Å; Q179-L188 HydrophobicContact CG-CB 4.4Å; Q179-L188 HydrophobicContact CG-CD1 4.38Å; Q179-L188 PolarHBondContact O-N 3.5Å; Q179-K189 HydrophobicContact CB-CB 4.11Å; Q179-K189 PolarHBondContact N-O 3.13Å; Q179-L227 HydrophobicContact CB-CD1 3.84Å
180F93.4Very high92Very high5 Ų542.8 Ų42.82%0.02222%0.215CC..EExtended strand (participates in β ladder)trans-104.9131.1178.6-65.8-86000110.1L129 V149 I156 F167 V168 A170 N178 A182 E186 V187L129-F180 HydrophobicContact CD2-CD2 4.33Å; L129-F180 HydrophobicContact CD2-CG 4.48Å; V149-F180 HydrophobicContact CG1-CD1 3.87Å; V149-F180 HydrophobicContact CG1-CE1 3.89Å; I156-F180 HydrophobicContact CD1-CE2 4.44Å; F167-F180 CarbonylContact C-O 3.59Å; F167-F180 WeakPolarHBondContact CA-O 3.17Å; F167-F180 WeakPolarHBondContact CB-O 3.17Å; V168-F180 PolarHBondContact N-O 3.36Å; V168-F180 PolarHBondContact O-N 3.41Å; A170-F180 HydrophobicContact CB-CD2 4.09Å; A170-F180 HydrophobicContact CB-CE2 3.77Å; N178-F180 HydrophobicContact CB-CD2 4.26Å; N178-F180 HydrophobicContact CB-CE2 3.57Å; N178-F180 HydrophobicContact CB-CZ 3.93Å; F180-A182 PolarHBondContact O-N 2.84Å; F180-E186 WeakPolarHBondContact CA-O 3.13Å; F180-V187 HydrophobicContact CD1-CG2 3.82Å; F180-V187 HydrophobicContact CE1-CG2 3.4Å; F180-V187 VanDerWaalsContact CE1-CG2 3.4Å; F180-V187 HydrophobicContact CZ-CG2 4.11Å
181S91.9Very high92Very high15 Ų1544.5 Ų44.511%0.10523%0.225CC..EExtended strand (participates in β ladder)trans-63.2125.5168.91720000109.7K183 S184 G185 E186S181-K183 PolarHBondContact O-N 2.97Å; S181-K183 PolarHBondContact OG-N 2.99Å; S181-S184 VanDerWaalsContact CB-OG 3.3Å; S181-S184 WeakPolarHBondContact CB-OG 3.4Å; S181-S184 PolarHBondContact OG-N 2.88Å; S181-S184 PolarHBondContact OG-OG 3.01Å; S181-S184 VanDerWaalsContact OG-OG 3.11Å; S181-G185 WeakPolarHBondContact O-CA 3.35Å; S181-G185 PolarHBondContact O-N 3.34Å; S181-E186 PolarHBondContact N-O 3.1Å
182A88.1Confident91.9Very high7 Ų750.5 Ų50.56%0.05825%0.252CS..THydrogen-bonded Turntrans-69.9-18.9178.500000112.8Y131 L147 W161 G165 E166 F180Y131-A182 HydrophobicContact CE1-CB 4.5Å; L147-A182 WeakPolarHBondContact CD2-O 3.33Å; W161-A182 HydrophobicContact CH2-CB 4.22Å; W161-A182 HydrophobicContact CZ3-CB 3.6Å; G165-A182 VanDerWaalsContact O-CB 3.27Å; G165-A182 WeakPolarHBondContact O-CB 3.35Å; E166-A182 WeakPolarHBondContact O-CB 3.23Å; E166-A182 PolarHBondContact O-N 2.91Å; F180-A182 PolarHBondContact O-N 2.84Å
183K86.4Confident91.9Very high164 Ų16453.7 Ų53.771%0.71327%0.266SS*.THydrogen-bonded Turntrans-87.1-47.8-179.1-65.1176.1-176.3163.90112.4S181S181-K183 PolarHBondContact O-N 2.97Å; S181-K183 PolarHBondContact OG-N 2.99Å
184S86.9Confident92Very high55 Ų5549.6 Ų49.639%0.38525%0.247SC..THydrogen-bonded Turntrans-102.3-20.4-175.559.80000113.5S181 E186S181-S184 VanDerWaalsContact CB-OG 3.3Å; S181-S184 WeakPolarHBondContact CB-OG 3.4Å; S181-S184 PolarHBondContact OG-N 2.88Å; S181-S184 PolarHBondContact OG-OG 3.01Å; S181-S184 VanDerWaalsContact OG-OG 3.11Å; S184-E186 PolarHBondContact O-N 2.86Å; S184-E186 PolarHBondContact OG-N 2.77Å; S184-E186 PolarHBondContact OG-OE2 3.45Å
185G86.3Confident92Very high8 Ų854.3 Ų54.38%0.08227%0.273CS..  trans75.92-172.700000114.4V149 S181V149-G185 WeakPolarHBondContact CG1-O 3.42Å; S181-G185 WeakPolarHBondContact O-CA 3.35Å; S181-G185 PolarHBondContact O-N 3.34Å
186E90.4Very high92.1Very high132 Ų13260 Ų6062%0.61730%0.297SS*.  trans-73.8147.7179.7-65.5175.315500111.4F180 S181 S184 L188F180-E186 WeakPolarHBondContact CA-O 3.13Å; S181-E186 PolarHBondContact N-O 3.1Å; S184-E186 PolarHBondContact O-N 2.86Å; S184-E186 PolarHBondContact OG-N 2.77Å; S184-E186 PolarHBondContact OG-OE2 3.45Å; E186-L188 PolarHBondContact O-N 2.93Å
187V92.3Very high92.1Very high75 Ų7560.6 Ų60.646%0.45530%0.3SS..EExtended strand (participates in β ladder)trans-73.9109.4172.8-177.60000108.2Q179 F180 K189 K190Q179-V187 CarbonylContact O-C 3.58Å; Q179-V187 WeakPolarHBondContact O-CA 3.41Å; F180-V187 HydrophobicContact CD1-CG2 3.82Å; F180-V187 HydrophobicContact CE1-CG2 3.4Å; F180-V187 VanDerWaalsContact CE1-CG2 3.4Å; F180-V187 HydrophobicContact CZ-CG2 4.11Å; V187-K189 WeakPolarHBondContact CG1-O 3.44Å; V187-K190 HydrophobicContact CG1-CB 4.2Å
188L91Very high92.1Very high92 Ų9260.5 Ų60.548%0.48230%0.3SS..EExtended strand (participates in β ladder)trans-74.1-46.5175.9-63.3178.3000110.7F167 Q179 E186F167-L188 HydrophobicContact CB-CD1 4.17Å; Q179-L188 HydrophobicContact CB-CB 4.43Å; Q179-L188 HydrophobicContact CG-CB 4.4Å; Q179-L188 HydrophobicContact CG-CD1 4.38Å; Q179-L188 PolarHBondContact O-N 3.5Å; E186-L188 PolarHBondContact O-N 2.93Å
189K91.6Very high92.1Very high82 Ų8262 Ų6236%0.35731%0.307SS..EExtended strand (participates in β ladder)trans-143.9149-176.7-64.7-172.5-175.5173.90110.7N178 Q179 V187 T225 T226 L227N178-K189 WeakPolarHBondContact CA-O 3.45Å; Q179-K189 HydrophobicContact CB-CB 4.11Å; Q179-K189 PolarHBondContact N-O 3.13Å; V187-K189 WeakPolarHBondContact CG1-O 3.44Å; K189-T225 PolarHBondContact NZ-O 3.28Å; K189-T226 WeakPolarHBondContact CD-O 3.22Å; K189-T226 VanDerWaalsContact NZ-CA 3.26Å; K189-T226 PolarHBondContact NZ-O 2.95Å; K189-T226 VanDerWaalsContact NZ-O 3.08Å; K189-L227 HydrophobicContact CB-CD1 3.97Å
190K93.3Very high92.2Very high89 Ų8962.4 Ų62.439%0.38731%0.31SS..EExtended strand (participates in β ladder)trans-141.9124.9-179.3170.2163.6-168.1-175.10109E153 E176 N178 V187E153-K190 IonicContact OE2-NZ 3.48Å; E153-K190 PolarHBondContact OE2-NZ 2.91Å; E176-K190 VanDerWaalsContact CD-NZ 3.29Å; E176-K190 VanDerWaalsContact OE1-CE 3.23Å; E176-K190 WeakPolarHBondContact OE1-CE 3.36Å; E176-K190 IonicContact OE1-NZ 3.17Å; E176-K190 PolarHBondContact OE1-NZ 3.14Å; E176-K190 WeakPolarHBondContact OE2-CE 3.13Å; E176-K190 IonicContact OE2-NZ 3.59Å; E176-K190 PolarHBondContact OE2-NZ 3.06Å; N178-K190 WeakPolarHBondContact OD1-CB 3.21Å; N178-K190 WeakPolarHBondContact OD1-CG 3.46Å; V187-K190 HydrophobicContact CG1-CB 4.2Å
191V94.9Very high92.3Very high36 Ų3662.3 Ų62.322%0.21831%0.309CS..EExtended strand (participates in β ladder)trans-133.6136.4-177.5172.50000108.8E176 I177 E193 L227E176-V191 CarbonylContact C-O 3.55Å; E176-V191 WeakPolarHBondContact CA-O 3.13Å; I177-V191 PolarHBondContact N-O 2.84Å; I177-V191 PolarHBondContact O-N 2.96Å; V191-E193 HydrophobicContact CG1-CB 4.34Å; V191-E193 HydrophobicContact CG1-CG 3.37Å; V191-L227 HydrophobicContact CG2-CB 4.02Å
192K94.1Very high92.5Very high127 Ų12762.8 Ų62.855%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-116.797.3178.1-171173.8-177.9173.30110.7E176E176-K192 HydrophobicContact CG-CB 3.91Å; E176-K192 HydrophobicContact CG-CD 3.98Å; E176-K192 HydrophobicContact CG-CG 3.79Å
193E93Very high92.7Very high70 Ų7064.4 Ų64.433%0.32732%0.32SS..  trans-118.6-18.7-172.8-77.3-70151.200113.4V191 K220 F222V191-E193 HydrophobicContact CG1-CB 4.34Å; V191-E193 HydrophobicContact CG1-CG 3.37Å; E193-K220 HydrophobicContact CB-CD 4.1Å; E193-K220 PolarHBondContact O-NZ 2.99Å; E193-K220 IonicContact OE2-NZ 2.71Å; E193-K220 PolarHBondContact OE2-NZ 2.92Å; E193-F222 HydrophobicContact CB-CE1 4.08Å; E193-F222 HydrophobicContact CB-CZ 3.77Å; E193-F222 HydrophobicContact CG-CE1 3.88Å; E193-F222 HydrophobicContact CG-CZ 4.11Å
194H94.5Very high93Very high0 Ų057.2 Ų57.20%029%0.29CS..  trans-102.4150174.1-72.3-73.4000111.6G175 I198 T212 S214 D216 S218G175-H194 PolarHBondContact O-N 3.43Å; G175-H194 VanDerWaalsContact O-N 3.17Å; H194-I198 HydrophobicContact CB-CG1 4.24Å; H194-T212 PolarHBondContact NE2-OG1 2.86Å; H194-S214 WeakPolarHBondContact ND1-CB 3.49Å; H194-D216 WeakPolarHBondContact CA-OD2 3.28Å; H194-D216 WeakPolarHBondContact CB-OD2 3.41Å; H194-D216 IonicContact CG-OD2 3.84Å; H194-D216 IonicContact ND1-OD1 3Å; H194-D216 PolarHBondContact ND1-OD1 3.15Å; H194-D216 IonicContact ND1-OD2 3.87Å; H194-D216 PolarHBondContact ND1-OD2 2.93Å; H194-S218 PolarHBondContact CE1-OG 3.05Å; H194-S218 VanDerWaalsContact CE1-OG 3.3Å; H194-S218 PolarHBondContact ND1-OG 2.67Å
195N93.3Very high93.1Very high146 Ų14657.1 Ų57.178%0.78129%0.287SS*.SBendtrans-95.8-11.8177.8-69.6-43.3000112.8D216N195-D216 HydrophobicContact CB-CB 4.44Å; N195-D216 PolarHBondContact N-OD2 3.47Å
196K93.8Very high93.1Very high118 Ų11861.6 Ų61.651%0.51331%0.309SS..SBendtrans-134.9177.4178.8-65.8-172.3-177.9175.10110.1G175 I198 S214 K215 D216G175-K196 VanDerWaalsContact CA-O 3.23Å; G175-K196 WeakPolarHBondContact CA-O 3.1Å; K196-I198 PolarHBondContact O-N 2.79Å; K196-S214 PolarHBondContact O-OG 2.88Å; K196-K215 HydrophobicContact CB-CB 4.13Å; K196-K215 HydrophobicContact CD-CB 4.12Å; K196-K215 WeakPolarHBondContact CD-O 3.38Å; K196-D216 HydrophobicContact CB-CB 4Å; K196-D216 HydrophobicContact CD-CB 4.28Å; K196-D216 HydrophobicContact CG-CB 4.05Å
197Q94.5Very high93.1Very high35 Ų3556.5 Ų56.516%0.16429%0.286CS..  trans-50.8128.2175.9174.9173.640.800112.7T157 E173 S214 K215T157-Q197 HydrophobicContact CG2-CG 4.03Å; E173-Q197 HydrophobicContact CG-CB 4.19Å; E173-Q197 HydrophobicContact CG-CG 4.3Å; E173-Q197 WeakPolarHBondContact O-CA 3.23Å; E173-Q197 PolarHBondContact O-N 2.86Å; E173-Q197 VanDerWaalsContact O-N 3.16Å; Q197-S214 WeakPolarHBondContact O-CA 3.27Å; Q197-S214 PolarHBondContact O-OG 2.79Å; Q197-K215 PolarHBondContact O-N 2.8Å; Q197-K215 VanDerWaalsContact O-N 3.09Å
198I96.1Very high93.1Very high0 Ų055.7 Ų55.70%028%0.281CS..EExtended strand (participates in β ladder)trans-77123165.4-56.6175.9000107.1T157 H172 I177 H194 K196 D200 I201 A213T157-I198 VanDerWaalsContact CB-O 3.23Å; T157-I198 WeakPolarHBondContact CB-O 3.13Å; T157-I198 PolarHBondContact OG1-O 2.9Å; H172-I198 PolarHBondContact O-N 2.96Å; I177-I198 HydrophobicContact CD1-CD1 4.26Å; I177-I198 HydrophobicContact CG1-CD1 3.48Å; I177-I198 VanDerWaalsContact CG1-CD1 3.48Å; H194-I198 HydrophobicContact CB-CG1 4.24Å; K196-I198 PolarHBondContact O-N 2.79Å; I198-D200 WeakPolarHBondContact CG2-O 3.43Å; I198-I201 HydrophobicContact CG2-CD1 4.09Å; I198-I201 HydrophobicContact CG2-CG1 3.69Å; I198-A213 CarbonylContact C-O 3.58Å; I198-A213 WeakPolarHBondContact CA-O 3.36Å
199N94.2Very high93.2Very high39 Ų3954.9 Ų54.921%0.20928%0.276CS..EExtended strand (participates in β ladder)trans-90.7-38.9-179-70.4-37.9000111.7A213 K215 V239 N240N199-A213 PolarHBondContact N-O 3.17Å; N199-K215 WeakPolarHBondContact ND2-CG 3.29Å; N199-K215 VanDerWaalsContact OD1-CE 3.29Å; N199-K215 WeakPolarHBondContact OD1-CE 3.5Å; N199-V239 PolarHBondContact ND2-O 2.93Å; N199-N240 WeakPolarHBondContact CB-O 3.12Å
200D95.9Very high93.4Very high16 Ų1651 Ų519%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-145150.1-174.2-166.322.6000110.6I198 Q202 A213 N240 S241I198-D200 WeakPolarHBondContact CG2-O 3.43Å; D200-Q202 PolarHBondContact OD2-NE2 3.37Å; D200-A213 HydrophobicContact CB-CB 4.18Å; D200-A213 PolarHBondContact N-O 2.88Å; D200-A213 PolarHBondContact O-N 3.02Å; D200-N240 WeakPolarHBondContact CB-O 3.31Å; D200-S241 WeakPolarHBondContact OD2-CB 3.01Å; D200-S241 PolarHBondContact OD2-OG 3.36Å
201I96.1Very high93.6Very high2 Ų246.8 Ų46.81%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-138.6128.8175.3-61.8-173.7000106.1S158 V160 I198 V210 I211 T212S158-I201 PolarHBondContact OG-N 3.14Å; V160-I201 HydrophobicContact CG1-CB 4.41Å; V160-I201 HydrophobicContact CG1-CG2 4.3Å; V160-I201 WeakPolarHBondContact CG1-O 3.16Å; V160-I201 HydrophobicContact CG2-CB 4.42Å; V160-I201 HydrophobicContact CG2-CG2 3.56Å; I198-I201 HydrophobicContact CG2-CD1 4.09Å; I198-I201 HydrophobicContact CG2-CG1 3.69Å; I201-V210 HydrophobicContact CG2-CG2 3.18Å; I201-I211 WeakPolarHBondContact CA-O 3.36Å; I201-T212 HydrophobicContact CD1-CG2 4.34Å; I201-T212 HydrophobicContact CG1-CG2 4.11Å
202Q95.4Very high93.7Very high25 Ų2545 Ų4512%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-132.6142.1175.6-60.2-167.32300110D200 V210 I211 S241 A242 A243 V298D200-Q202 PolarHBondContact OD2-NE2 3.37Å; Q202-V210 WeakPolarHBondContact O-CA 3.42Å; Q202-V210 WeakPolarHBondContact O-CG2 3.4Å; Q202-I211 HydrophobicContact CB-CG2 4.03Å; Q202-I211 PolarHBondContact N-O 3.48Å; Q202-I211 WeakPolarHBondContact O-CG2 3.18Å; Q202-I211 PolarHBondContact O-N 2.88Å; Q202-S241 PolarHBondContact NE2-OG 2.85Å; Q202-A242 VanDerWaalsContact CD-O 3.27Å; Q202-A242 WeakPolarHBondContact CG-O 3.48Å; Q202-A242 PolarHBondContact NE2-O 2.9Å; Q202-A243 VanDerWaalsContact OE1-CB 3.26Å; Q202-V298 PolarHBondContact NE2-O 3.01Å
203T93.6Very high93.8Very high42 Ų4239 Ų3926%0.25820%0.204SC..EExtended strand (participates in β ladder)trans-90.8156.5174.8490000110.8V160 L207 M209 V210V160-T203 HydrophobicContact CB-CG2 4.19Å; V160-T203 HydrophobicContact CG2-CG2 3.76Å; T203-L207 HydrophobicContact CG2-CD2 4.29Å; T203-L207 WeakPolarHBondContact OG1-CD2 3.32Å; T203-M209 WeakPolarHBondContact CA-O 3.47Å; T203-V210 HydrophobicContact CG2-CG2 4.28Å
204S92.4Very high94Very high12 Ų1235.7 Ų35.78%0.08419%0.188CC..  trans-68.3162.5165.456.30000110.8D206 L207 T208 M209S204-D206 WeakPolarHBondContact CB-OD1 3.41Å; S204-D206 PolarHBondContact O-N 3.49Å; S204-D206 PolarHBondContact OG-OD1 2.86Å; S204-L207 WeakPolarHBondContact O-CA 3.44Å; S204-L207 PolarHBondContact O-N 3Å; S204-L207 PolarHBondContact OG-N 3.28Å; S204-T208 PolarHBondContact OG-N 3.17Å; S204-M209 PolarHBondContact N-O 2.81Å; S204-M209 PolarHBondContact OG-N 2.96Å; S204-M209 PolarHBondContact OG-O 2.88Å
205V88.2Confident93.9Very high54 Ų5439.7 Ų39.733%0.32721%0.205SC..THydrogen-bonded Turntrans-62.9-26.9-176.8172.30000113.2R27 P246R27-V205 PolarHBondContact NH1-O 3.07Å; R27-V205 VanDerWaalsContact NH2-CG1 3.31Å; R27-V205 PolarHBondContact NH2-O 2.99Å; V205-P246 HydrophobicContact CG2-CB 3.73Å; V205-P246 HydrophobicContact CG2-CG 3.67Å
206D87.8Confident93.9Very high101 Ų10134.3 Ų34.354%0.5418%0.177SC..THydrogen-bonded Turntrans-92.4-1.4174.868-17.5000113.4S204 T208S204-D206 WeakPolarHBondContact CB-OD1 3.41Å; S204-D206 PolarHBondContact O-N 3.49Å; S204-D206 PolarHBondContact OG-OD1 2.86Å; D206-T208 HydrophobicContact CB-CG2 4.27Å; D206-T208 PolarHBondContact O-N 3.44Å; D206-T208 VanDerWaalsContact O-N 3.16Å; D206-T208 PolarHBondContact OD1-N 3.26Å; D206-T208 PolarHBondContact OD1-OG1 3.23Å; D206-T208 VanDerWaalsContact OD1-OG1 3.07Å; D206-T208 WeakPolarHBondContact OD2-CB 3.46Å; D206-T208 WeakPolarHBondContact OD2-CG2 3.19Å; D206-T208 PolarHBondContact OD2-OG1 2.93Å
207L90.1Very high93.8Very high26 Ų2630.2 Ų30.214%0.13616%0.163CC..SBendtrans639-179.1-51.7173.6000115.3F110 P163 T203 S204 S224F110-L207 HydrophobicContact CD2-CD1 4.26Å; P163-L207 HydrophobicContact CB-CB 4.43Å; P163-L207 WeakPolarHBondContact CD-O 3.48Å; P163-L207 HydrophobicContact CG-CB 3.96Å; P163-L207 WeakPolarHBondContact CG-O 3.4Å; T203-L207 HydrophobicContact CG2-CD2 4.29Å; T203-L207 WeakPolarHBondContact OG1-CD2 3.32Å; S204-L207 WeakPolarHBondContact O-CA 3.44Å; S204-L207 PolarHBondContact O-N 3Å; S204-L207 PolarHBondContact OG-N 3.28Å; L207-S224 VanDerWaalsContact O-CB 3.24Å; L207-S224 WeakPolarHBondContact O-CB 3.37Å; L207-S224 PolarHBondContact O-OG 3.29Å
208T91.4Very high93.8Very high58 Ų5829.1 Ų29.136%0.35616%0.159SC..SBendtrans-79.1-27.1-17863.90000112.9S204 D206 S224S204-T208 PolarHBondContact OG-N 3.17Å; D206-T208 HydrophobicContact CB-CG2 4.27Å; D206-T208 PolarHBondContact O-N 3.44Å; D206-T208 VanDerWaalsContact O-N 3.16Å; D206-T208 PolarHBondContact OD1-N 3.26Å; D206-T208 PolarHBondContact OD1-OG1 3.23Å; D206-T208 VanDerWaalsContact OD1-OG1 3.07Å; D206-T208 WeakPolarHBondContact OD2-CB 3.46Å; D206-T208 WeakPolarHBondContact OD2-CG2 3.19Å; D206-T208 PolarHBondContact OD2-OG1 2.93Å; T208-S224 PolarHBondContact O-N 3.21Å; T208-S224 PolarHBondContact O-OG 2.79Å
209M94.1Very high93.8Very high75 Ų7529.1 Ų29.137%0.36916%0.159SC..EExtended strand (participates in β ladder)trans-121.6153.1-179.5-61.4-174.2-174.400110.7T203 S204 L221 F222 I230 I244T203-M209 WeakPolarHBondContact CA-O 3.47Å; S204-M209 PolarHBondContact N-O 2.81Å; S204-M209 PolarHBondContact OG-N 2.96Å; S204-M209 PolarHBondContact OG-O 2.88Å; M209-L221 HydrophobicContact CB-CD1 4.1Å; M209-L221 HydrophobicContact SD-CD1 4.47Å; M209-L221 HydrophobicContact SD-CD2 3.88Å; M209-L221 HydrophobicContact SD-CG 4.37Å; M209-F222 WeakPolarHBondContact CA-O 3.34Å; M209-I230 HydrophobicContact CG-CD1 4.47Å; M209-I230 HydrophobicContact SD-CD1 4.49Å; M209-I244 HydrophobicContact CB-CD1 4.1Å
210V95.8Very high93.9Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-132.7131.4174.468.20000109.5V160 I169 I201 Q202 T203 F222V160-V210 HydrophobicContact CG2-CG2 4.31Å; I169-V210 HydrophobicContact CD1-CB 4.27Å; I169-V210 HydrophobicContact CD1-CG1 4.04Å; I169-V210 HydrophobicContact CD1-CG2 4.45Å; I201-V210 HydrophobicContact CG2-CG2 3.18Å; Q202-V210 WeakPolarHBondContact O-CA 3.42Å; Q202-V210 WeakPolarHBondContact O-CG2 3.4Å; T203-V210 HydrophobicContact CG2-CG2 4.28Å; V210-F222 HydrophobicContact CG1-CB 3.71Å; V210-F222 PolarHBondContact N-O 3.14Å; V210-F222 PolarHBondContact O-N 3.32Å
211I96.8Very high93.9Very high0 Ų028.1 Ų28.10%015%0.152CC..EExtended strand (participates in β ladder)trans-104.4136.6174.5-166.4164.5000109.5I201 Q202 S219 K220 L221 A242 I244 V251I201-I211 WeakPolarHBondContact CA-O 3.36Å; Q202-I211 HydrophobicContact CB-CG2 4.03Å; Q202-I211 PolarHBondContact N-O 3.48Å; Q202-I211 WeakPolarHBondContact O-CG2 3.18Å; Q202-I211 PolarHBondContact O-N 2.88Å; I211-S219 WeakPolarHBondContact CD1-OG 3.39Å; I211-S219 VanDerWaalsContact CG1-OG 3.25Å; I211-S219 WeakPolarHBondContact CG1-OG 3.11Å; I211-K220 WeakPolarHBondContact CA-O 3.31Å; I211-L221 HydrophobicContact CB-CD1 4.14Å; I211-A242 HydrophobicContact CD1-CB 3.78Å; I211-A242 HydrophobicContact CG1-CB 3.88Å; I211-A242 HydrophobicContact CG2-CB 4.3Å; I211-A242 WeakPolarHBondContact CG2-O 3.45Å; I211-I244 HydrophobicContact CB-CD1 3.94Å; I211-I244 HydrophobicContact CB-CG1 3.75Å; I211-I244 HydrophobicContact CD1-CG1 4.28Å; I211-I244 HydrophobicContact CG2-CD1 4.09Å; I211-I244 HydrophobicContact CG2-CG1 3.68Å; I211-V251 HydrophobicContact CD1-CB 3.71Å; I211-V251 HydrophobicContact CD1-CG1 3.69Å; I211-V251 HydrophobicContact CD1-CG2 4.23Å
212T96.9Very high93.9Very high0 Ų028.1 Ų28.10%015%0.152CC..EExtended strand (participates in β ladder)trans-111.3147.1175.261.70000110.4I177 H194 I201 S219 K220 F222I177-T212 HydrophobicContact CD1-CG2 3.7Å; I177-T212 HydrophobicContact CG1-CG2 4.36Å; H194-T212 PolarHBondContact NE2-OG1 2.86Å; I201-T212 HydrophobicContact CD1-CG2 4.34Å; I201-T212 HydrophobicContact CG1-CG2 4.11Å; T212-S219 WeakPolarHBondContact O-CA 3.22Å; T212-S219 VanDerWaalsContact O-CB 3.23Å; T212-S219 WeakPolarHBondContact O-CB 3.44Å; T212-S219 PolarHBondContact O-OG 2.9Å; T212-K220 PolarHBondContact N-O 2.88Å; T212-K220 PolarHBondContact O-N 2.89Å; T212-K220 PolarHBondContact OG1-N 3.35Å; T212-K220 PolarHBondContact OG1-O 3.38Å; T212-F222 HydrophobicContact CG2-CD2 3.96Å; T212-F222 HydrophobicContact CG2-CE2 3.8Å
213A96.6Very high93.9Very high0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-121129.1171.700000109.8I198 N199 D200 V239 A242I198-A213 CarbonylContact C-O 3.58Å; I198-A213 WeakPolarHBondContact CA-O 3.36Å; N199-A213 PolarHBondContact N-O 3.17Å; D200-A213 HydrophobicContact CB-CB 4.18Å; D200-A213 PolarHBondContact N-O 2.88Å; D200-A213 PolarHBondContact O-N 3.02Å; A213-V239 HydrophobicContact CB-CB 4.26Å; A213-V239 HydrophobicContact CB-CG1 3.73Å; A213-A242 HydrophobicContact CB-CB 3.93Å
214S96.1Very high93.8Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-131.4153.5-175.8176.90000113.3H194 K196 Q197 D216 C217 S218 V239H194-S214 WeakPolarHBondContact ND1-CB 3.49Å; K196-S214 PolarHBondContact O-OG 2.88Å; Q197-S214 WeakPolarHBondContact O-CA 3.27Å; Q197-S214 PolarHBondContact O-OG 2.79Å; S214-D216 VanDerWaalsContact CB-OD1 3.23Å; S214-D216 WeakPolarHBondContact CB-OD1 3.33Å; S214-D216 PolarHBondContact O-N 2.92Å; S214-D216 PolarHBondContact OG-N 2.88Å; S214-D216 PolarHBondContact OG-OD1 2.97Å; S214-D216 PolarHBondContact OG-OD2 3.45Å; S214-C217 PolarHBondContact O-N 3.44Å; S214-S218 PolarHBondContact N-O 2.86Å; S214-S218 VanDerWaalsContact N-O 3.13Å; S214-V239 CarbonylContact C-O 3.58Å; S214-V239 PolarHBondContact O-N 3.37Å; S214-V239 VanDerWaalsContact O-N 3.17Å
215K92.8Very high93.8Very high84 Ų8429.5 Ų29.537%0.36516%0.161SC..THydrogen-bonded Turntrans-68.2-6.8173.4-67.7-171.5174.8161.70113.8K196 Q197 N199 C217K196-K215 HydrophobicContact CB-CB 4.13Å; K196-K215 HydrophobicContact CD-CB 4.12Å; K196-K215 WeakPolarHBondContact CD-O 3.38Å; Q197-K215 PolarHBondContact O-N 2.8Å; Q197-K215 VanDerWaalsContact O-N 3.09Å; N199-K215 WeakPolarHBondContact ND2-CG 3.29Å; N199-K215 VanDerWaalsContact OD1-CE 3.29Å; N199-K215 WeakPolarHBondContact OD1-CE 3.5Å; K215-C217 PolarHBondContact O-N 3.48Å
216D92.8Very high93.9Very high33 Ų3329 Ų2918%0.17616%0.157CC..THydrogen-bonded Turntrans-78.812.5174.764.115.1000113.8H194 N195 K196 S214 S218H194-D216 WeakPolarHBondContact CA-OD2 3.28Å; H194-D216 WeakPolarHBondContact CB-OD2 3.41Å; H194-D216 IonicContact CG-OD2 3.84Å; H194-D216 IonicContact ND1-OD1 3Å; H194-D216 PolarHBondContact ND1-OD1 3.15Å; H194-D216 IonicContact ND1-OD2 3.87Å; H194-D216 PolarHBondContact ND1-OD2 2.93Å; N195-D216 HydrophobicContact CB-CB 4.44Å; N195-D216 PolarHBondContact N-OD2 3.47Å; K196-D216 HydrophobicContact CB-CB 4Å; K196-D216 HydrophobicContact CD-CB 4.28Å; K196-D216 HydrophobicContact CG-CB 4.05Å; S214-D216 VanDerWaalsContact CB-OD1 3.23Å; S214-D216 WeakPolarHBondContact CB-OD1 3.33Å; S214-D216 PolarHBondContact O-N 2.92Å; S214-D216 PolarHBondContact OG-N 2.88Å; S214-D216 PolarHBondContact OG-OD1 2.97Å; S214-D216 PolarHBondContact OG-OD2 3.45Å; D216-S218 VanDerWaalsContact CG-OG 3.32Å; D216-S218 PolarHBondContact O-N 2.86Å; D216-S218 WeakPolarHBondContact OD1-CB 3.47Å; D216-S218 PolarHBondContact OD1-N 2.83Å; D216-S218 PolarHBondContact OD1-OG 3.12Å
217C92.9Very high94.1Very high33 Ų3324.2 Ų24.222%0.22313%0.132CC..THydrogen-bonded Turntrans63.928.6-178.2-47.90000112.7S214 K215 T235 P238S214-C217 PolarHBondContact O-N 3.44Å; K215-C217 PolarHBondContact O-N 3.48Å; C217-T235 VanDerWaalsContact CB-O 3.3Å; C217-T235 WeakPolarHBondContact CB-O 3.49Å; C217-T235 PolarHBondContact O-N 3.27Å; C217-T235 PolarHBondContact O-OG1 3.09Å; C217-P238 VanDerWaalsContact SG-N 3.4Å
218S94.1Very high94.2Very high12 Ų1227.9 Ų27.98%0.08415%0.152CC..EExtended strand (participates in β ladder)trans-129.6148.9172.373.60000111.8H194 S214 D216 F233H194-S218 PolarHBondContact CE1-OG 3.05Å; H194-S218 VanDerWaalsContact CE1-OG 3.3Å; H194-S218 PolarHBondContact ND1-OG 2.67Å; S214-S218 PolarHBondContact N-O 2.86Å; S214-S218 VanDerWaalsContact N-O 3.13Å; D216-S218 VanDerWaalsContact CG-OG 3.32Å; D216-S218 PolarHBondContact O-N 2.86Å; D216-S218 WeakPolarHBondContact OD1-CB 3.47Å; D216-S218 PolarHBondContact OD1-N 2.83Å; D216-S218 PolarHBondContact OD1-OG 3.12Å; S218-F233 WeakPolarHBondContact CA-O 3.33Å
219S96.1Very high94.4Very high0 Ų028.7 Ų28.70%015%0.151CC..EExtended strand (participates in β ladder)trans-118.7138.5161179.50000107.9I211 T212 F233 A242 M253I211-S219 WeakPolarHBondContact CD1-OG 3.39Å; I211-S219 VanDerWaalsContact CG1-OG 3.25Å; I211-S219 WeakPolarHBondContact CG1-OG 3.11Å; T212-S219 WeakPolarHBondContact O-CA 3.22Å; T212-S219 VanDerWaalsContact O-CB 3.23Å; T212-S219 WeakPolarHBondContact O-CB 3.44Å; T212-S219 PolarHBondContact O-OG 2.9Å; S219-F233 PolarHBondContact N-O 3.23Å; S219-F233 PolarHBondContact O-N 2.84Å; S219-A242 WeakPolarHBondContact OG-CB 3.39Å; S219-M253 WeakPolarHBondContact CB-SD 3.5Å
220K96.4Very high94.4Very high26 Ų2628.3 Ų28.311%0.11315%0.15CC..EExtended strand (participates in β ladder)trans-126142.4-178.2-71.4-177170.1-169.60109.7E193 I211 T212 F222 K231 S232E193-K220 HydrophobicContact CB-CD 4.1Å; E193-K220 PolarHBondContact O-NZ 2.99Å; E193-K220 IonicContact OE2-NZ 2.71Å; E193-K220 PolarHBondContact OE2-NZ 2.92Å; I211-K220 WeakPolarHBondContact CA-O 3.31Å; T212-K220 PolarHBondContact N-O 2.88Å; T212-K220 PolarHBondContact O-N 2.89Å; T212-K220 PolarHBondContact OG1-N 3.35Å; T212-K220 PolarHBondContact OG1-O 3.38Å; K220-F222 HydrophobicContact CB-CD2 4.23Å; K220-F222 HydrophobicContact CB-CE2 3.34Å; K220-F222 HydrophobicContact CB-CZ 3.6Å; K220-F222 HydrophobicContact CD-CE2 4.43Å; K220-F222 HydrophobicContact CD-CZ 3.87Å; K220-F222 HydrophobicContact CG-CZ 4.4Å; K220-K231 WeakPolarHBondContact CA-O 3.37Å; K220-S232 WeakPolarHBondContact CE-OG 3.4Å
221L96.3Very high94.3Very high8 Ų831.3 Ų31.34%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-102.2132174.5-168.468.5000108.8M209 I211 I230 K231 F233 I244M209-L221 HydrophobicContact CB-CD1 4.1Å; M209-L221 HydrophobicContact SD-CD1 4.47Å; M209-L221 HydrophobicContact SD-CD2 3.88Å; M209-L221 HydrophobicContact SD-CG 4.37Å; I211-L221 HydrophobicContact CB-CD1 4.14Å; L221-I230 HydrophobicContact CG-CD1 4.42Å; L221-I230 PolarHBondContact O-N 2.7Å; L221-K231 HydrophobicContact CB-CB 4.11Å; L221-K231 PolarHBondContact N-O 3.42Å; L221-K231 PolarHBondContact O-N 2.81Å; L221-F233 HydrophobicContact CB-CE2 4.2Å; L221-I244 HydrophobicContact CD1-CD1 3.59Å; L221-I244 HydrophobicContact CD1-CG1 4.13Å
222F96Very high94.2Very high1 Ų132.5 Ų32.50%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-127.6153.3179-58.5-91.2000110.5I177 E193 M209 V210 T212 K220 D228 H229I177-F222 HydrophobicContact CD1-CD2 3.94Å; I177-F222 HydrophobicContact CD1-CE1 4.14Å; I177-F222 HydrophobicContact CD1-CE2 3.36Å; I177-F222 HydrophobicContact CD1-CZ 3.49Å; I177-F222 VanDerWaalsContact CD1-CZ 3.49Å; E193-F222 HydrophobicContact CB-CE1 4.08Å; E193-F222 HydrophobicContact CB-CZ 3.77Å; E193-F222 HydrophobicContact CG-CE1 3.88Å; E193-F222 HydrophobicContact CG-CZ 4.11Å; M209-F222 WeakPolarHBondContact CA-O 3.34Å; V210-F222 HydrophobicContact CG1-CB 3.71Å; V210-F222 PolarHBondContact N-O 3.14Å; V210-F222 PolarHBondContact O-N 3.32Å; T212-F222 HydrophobicContact CG2-CD2 3.96Å; T212-F222 HydrophobicContact CG2-CE2 3.8Å; K220-F222 HydrophobicContact CB-CD2 4.23Å; K220-F222 HydrophobicContact CB-CE2 3.34Å; K220-F222 HydrophobicContact CB-CZ 3.6Å; K220-F222 HydrophobicContact CD-CE2 4.43Å; K220-F222 HydrophobicContact CD-CZ 3.87Å; K220-F222 HydrophobicContact CG-CZ 4.4Å; F222-D228 VanDerWaalsContact CA-O 3.27Å; F222-D228 WeakPolarHBondContact CA-O 3.46Å; F222-H229 HydrophobicContact CD1-CB 4.15Å; F222-H229 HydrophobicContact CE1-CB 3.84Å; F222-H229 AromaticContact CE1-CD2 3.96Å
223D94.9Very high94.1Very high42 Ų4232.5 Ų32.523%0.22517%0.171CC..EExtended strand (participates in β ladder)trans-74.9130.6163.51688.5000108.6T225 T226 L227 D228 I230D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 PolarHBondContact O-N 2.86Å; D223-T225 PolarHBondContact OD1-N 2.74Å; D223-T225 PolarHBondContact OD1-OG1 3.21Å; D223-T225 PolarHBondContact OD2-OG1 2.86Å; D223-T226 VanDerWaalsContact CB-OG1 3.25Å; D223-T226 WeakPolarHBondContact CB-OG1 3.43Å; D223-T226 WeakPolarHBondContact OD2-CB 3.45Å; D223-T226 VanDerWaalsContact OD2-CG2 3.28Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.3Å; D223-T226 PolarHBondContact OD2-OG1 3.4Å; D223-L227 WeakPolarHBondContact O-CA 3.29Å; D223-L227 PolarHBondContact O-N 3.1Å; D223-D228 PolarHBondContact N-O 3.15Å; D223-D228 VanDerWaalsContact N-O 3.15Å; D223-I230 HydrophobicContact CB-CD1 4.1Å
224S91.7Very high94Very high0 Ų040.4 Ų40.40%021%0.206CC..THydrogen-bonded Turntrans-66.5-28.5-175.569.30000112.9P163 F167 L207 T208P163-S224 WeakPolarHBondContact CG-OG 3.13Å; F167-S224 VanDerWaalsContact CE2-O 3.26Å; F167-S224 WeakPolarHBondContact CE2-O 3.41Å; F167-S224 WeakPolarHBondContact CZ-O 3.36Å; L207-S224 VanDerWaalsContact O-CB 3.24Å; L207-S224 WeakPolarHBondContact O-CB 3.37Å; L207-S224 PolarHBondContact O-OG 3.29Å; T208-S224 PolarHBondContact O-N 3.21Å; T208-S224 PolarHBondContact O-OG 2.79Å
225T91Very high93.7Very high67 Ų6741.4 Ų41.441%0.41121%0.212SC..THydrogen-bonded Turntrans-88.9-43.6-175.863.30000112.4K189 D223K189-T225 PolarHBondContact NZ-O 3.28Å; D223-T225 VanDerWaalsContact C-N 3.26Å; D223-T225 PolarHBondContact O-N 2.86Å; D223-T225 PolarHBondContact OD1-N 2.74Å; D223-T225 PolarHBondContact OD1-OG1 3.21Å; D223-T225 PolarHBondContact OD2-OG1 2.86Å
226T91Very high93.4Very high42 Ų4244.5 Ų44.526%0.25823%0.228SC..THydrogen-bonded Turntrans-84.4-28.9-178.957.70000112.5K189 D223 D228K189-T226 WeakPolarHBondContact CD-O 3.22Å; K189-T226 VanDerWaalsContact NZ-CA 3.26Å; K189-T226 PolarHBondContact NZ-O 2.95Å; K189-T226 VanDerWaalsContact NZ-O 3.08Å; D223-T226 VanDerWaalsContact CB-OG1 3.25Å; D223-T226 WeakPolarHBondContact CB-OG1 3.43Å; D223-T226 WeakPolarHBondContact OD2-CB 3.45Å; D223-T226 VanDerWaalsContact OD2-CG2 3.28Å; D223-T226 WeakPolarHBondContact OD2-CG2 3.3Å; D223-T226 PolarHBondContact OD2-OG1 3.4Å; T226-D228 WeakPolarHBondContact CB-OD2 3.36Å; T226-D228 WeakPolarHBondContact OG1-CB 3.18Å; T226-D228 PolarHBondContact OG1-N 3.06Å; T226-D228 PolarHBondContact OG1-OD2 3.09Å
227L91.8Very high93.2Very high2 Ų247.9 Ų47.91%0.0124%0.238CC..  trans58.922.5-160.7-69.4-172.3000113.4I169 I177 Q179 K189 V191 D223I169-L227 HydrophobicContact CD1-CD2 4.16Å; I169-L227 HydrophobicContact CG2-CD2 4.28Å; I177-L227 HydrophobicContact CG2-CD1 4.29Å; I177-L227 HydrophobicContact CG2-CD2 4.13Å; Q179-L227 HydrophobicContact CB-CD1 3.84Å; K189-L227 HydrophobicContact CB-CD1 3.97Å; V191-L227 HydrophobicContact CG2-CB 4.02Å; D223-L227 WeakPolarHBondContact O-CA 3.29Å; D223-L227 PolarHBondContact O-N 3.1Å
228D93.4Very high93.2Very high102 Ų10247.5 Ų47.555%0.54524%0.235SC..  trans-74.1136.5175.6-69.2-20.9000110.4F222 D223 T226 I230F222-D228 VanDerWaalsContact CA-O 3.27Å; F222-D228 WeakPolarHBondContact CA-O 3.46Å; D223-D228 PolarHBondContact N-O 3.15Å; D223-D228 VanDerWaalsContact N-O 3.15Å; T226-D228 WeakPolarHBondContact CB-OD2 3.36Å; T226-D228 WeakPolarHBondContact OG1-CB 3.18Å; T226-D228 PolarHBondContact OG1-N 3.06Å; T226-D228 PolarHBondContact OG1-OD2 3.09Å; D228-I230 PolarHBondContact O-N 3.43Å
229H94.5Very high93.2Very high75 Ų7547.1 Ų47.135%0.34723%0.232SC..EExtended strand (participates in β ladder)trans-69121.8175175.4-101.9000110.1F222 K231 S232F222-H229 HydrophobicContact CD1-CB 4.15Å; F222-H229 HydrophobicContact CE1-CB 3.84Å; F222-H229 AromaticContact CE1-CD2 3.96Å; H229-K231 PolarHBondContact NE2-O 3.19Å; H229-S232 PolarHBondContact CE1-OG 3.21Å; H229-S232 PolarHBondContact NE2-OG 3.19Å
230I94.1Very high93.1Very high67 Ų6748.4 Ų48.434%0.34424%0.239SC..EExtended strand (participates in β ladder)trans-100-54.4179.9-49.5173.9000110.2M209 L221 D223 D228M209-I230 HydrophobicContact CG-CD1 4.47Å; M209-I230 HydrophobicContact SD-CD1 4.49Å; L221-I230 HydrophobicContact CG-CD1 4.42Å; L221-I230 PolarHBondContact O-N 2.7Å; D223-I230 HydrophobicContact CB-CD1 4.1Å; D228-I230 PolarHBondContact O-N 3.43Å
231K94.6Very high93.1Very high64 Ų6447.2 Ų47.228%0.27823%0.234SC..EExtended strand (participates in β ladder)trans-143.4149.1-171.5-64.5-69171.7169.30113K220 L221 H229 F233 A279 A280 E282K220-K231 WeakPolarHBondContact CA-O 3.37Å; L221-K231 HydrophobicContact CB-CB 4.11Å; L221-K231 PolarHBondContact N-O 3.42Å; L221-K231 PolarHBondContact O-N 2.81Å; H229-K231 PolarHBondContact NE2-O 3.19Å; K231-F233 HydrophobicContact CB-CE1 4.44Å; K231-F233 HydrophobicContact CB-CE2 4.21Å; K231-F233 HydrophobicContact CB-CZ 3.84Å; K231-A279 WeakPolarHBondContact CG-O 3.33Å; K231-A280 WeakPolarHBondContact CE-O 3.35Å; K231-A280 PolarHBondContact NZ-O 3.49Å; K231-E282 VanDerWaalsContact CA-OE1 3.3Å; K231-E282 WeakPolarHBondContact CA-OE1 3.32Å; K231-E282 HydrophobicContact CB-CG 4.36Å; K231-E282 WeakPolarHBondContact CB-OE1 3.26Å; K231-E282 HydrophobicContact CD-CG 3.83Å; K231-E282 WeakPolarHBondContact CD-OE1 3.48Å
232S94.4Very high93.1Very high24 Ų2446.9 Ų46.917%0.16823%0.232CC..EExtended strand (participates in β ladder)trans-126115.1179.1-78.30000111.1K220 H229 E282K220-S232 WeakPolarHBondContact CE-OG 3.4Å; H229-S232 PolarHBondContact CE1-OG 3.21Å; H229-S232 PolarHBondContact NE2-OG 3.19Å; S232-E282 PolarHBondContact N-OE1 2.69Å
233F95Very high93.1Very high0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-99.4117.8174.4-46.2-75.7000109.4S218 S219 L221 K231 V251 M253 F277 E282S218-F233 WeakPolarHBondContact CA-O 3.33Å; S219-F233 PolarHBondContact N-O 3.23Å; S219-F233 PolarHBondContact O-N 2.84Å; L221-F233 HydrophobicContact CB-CE2 4.2Å; K231-F233 HydrophobicContact CB-CE1 4.44Å; K231-F233 HydrophobicContact CB-CE2 4.21Å; K231-F233 HydrophobicContact CB-CZ 3.84Å; F233-V251 HydrophobicContact CD1-CG2 4.26Å; F233-V251 HydrophobicContact CD2-CG2 3.92Å; F233-V251 HydrophobicContact CE1-CG2 4.14Å; F233-V251 HydrophobicContact CE2-CG1 4.22Å; F233-V251 HydrophobicContact CE2-CG2 3.79Å; F233-V251 HydrophobicContact CG-CG2 4.16Å; F233-V251 HydrophobicContact CZ-CG1 4.31Å; F233-V251 HydrophobicContact CZ-CG2 3.91Å; F233-M253 HydrophobicContact CB-CE 3.48Å; F233-M253 VanDerWaalsContact CB-CE 3.48Å; F233-M253 HydrophobicContact CB-SD 3.95Å; F233-M253 HydrophobicContact CG-CE 4.24Å; F233-F277 HydrophobicContact CB-CD1 4.29Å; F233-F277 HydrophobicContact CB-CG 4.47Å; F233-F277 HydrophobicContact CD1-CB 3.81Å; F233-F277 HydrophobicContact CD1-CD1 4.09Å; F233-F277 HydrophobicContact CD1-CG 4.22Å; F233-F277 HydrophobicContact CE1-CB 4.28Å; F233-F277 HydrophobicContact CG-CB 4.43Å; F233-E282 HydrophobicContact CD1-CB 4.16Å; F233-E282 HydrophobicContact CD1-CG 4.35Å; F233-E282 HydrophobicContact CE1-CB 4.28Å; F233-E282 HydrophobicContact CE1-CG 4.12Å
234K93.1Very high93.1Very high167 Ų16746.3 Ų46.373%0.72623%0.229SC*.EExtended strand (participates in β ladder)trans-101.1134179.5-69.1-178.7-178.5172.90110.6
235T89.9Confident93.2Very high21 Ų2146.7 Ų46.713%0.12923%0.232CC..  trans-118.5162.1175.854.70000110.2C217 R237 V239 M253 F277C217-T235 VanDerWaalsContact CB-O 3.3Å; C217-T235 WeakPolarHBondContact CB-O 3.49Å; C217-T235 PolarHBondContact O-N 3.27Å; C217-T235 PolarHBondContact O-OG1 3.09Å; T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact OG1-O 3.41Å; T235-V239 HydrophobicContact CG2-CG2 4.16Å; T235-V239 VanDerWaalsContact OG1-CG2 3.23Å; T235-V239 WeakPolarHBondContact OG1-CG2 3.31Å; T235-M253 HydrophobicContact CG2-CE 3.91Å; T235-M253 HydrophobicContact CG2-SD 4.1Å; T235-F277 HydrophobicContact CG2-CE2 4.19Å; T235-F277 HydrophobicContact CG2-CZ 4.13Å
236E86.9Confident93.2Very high149 Ų14945.6 Ų45.670%0.69623%0.226SC*.SBendtrans-78.1-23.9175.6-61.3167.6146.600111.8R275E236-R275 IonicContact OE2-CZ 3.4Å; E236-R275 IonicContact OE2-NH1 3.21Å; E236-R275 IonicContact OE2-NH2 2.85Å; E236-R275 PolarHBondContact OE2-NH2 3.47Å
237R89Confident93.1Very high104 Ų10448.2 Ų48.239%0.39224%0.237SC..SBendtrans-116.6155.1-177.1-65.1-174179.3-169.1-2.3110.7T235T235-R237 VanDerWaalsContact C-N 3.31Å; T235-R237 PolarHBondContact OG1-O 3.41Å
238P92.1Very high92.9Very high25 Ų2550.4 Ų50.416%0.16225%0.248CC..  trans-54.8141.4174.4-26.635.9000112.2C217 G255 G256C217-P238 VanDerWaalsContact SG-N 3.4Å; P238-G255 WeakPolarHBondContact O-CA 3.44Å; P238-G256 PolarHBondContact O-N 2.69Å; P238-G256 VanDerWaalsContact O-N 3.17Å
239V94.2Very high92.6Very high3 Ų351.2 Ų51.22%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-98.4126177.3-167.50000108.4N199 A213 S214 T235 S241 M253N199-V239 PolarHBondContact ND2-O 2.93Å; A213-V239 HydrophobicContact CB-CB 4.26Å; A213-V239 HydrophobicContact CB-CG1 3.73Å; S214-V239 CarbonylContact C-O 3.58Å; S214-V239 PolarHBondContact O-N 3.37Å; S214-V239 VanDerWaalsContact O-N 3.17Å; T235-V239 HydrophobicContact CG2-CG2 4.16Å; T235-V239 VanDerWaalsContact OG1-CG2 3.23Å; T235-V239 WeakPolarHBondContact OG1-CG2 3.31Å; V239-S241 WeakPolarHBondContact CG1-O 3.35Å; V239-M253 HydrophobicContact CG1-CB 4.06Å; V239-M253 HydrophobicContact CG1-CG 4.25Å; V239-M253 HydrophobicContact CG1-SD 4.37Å; V239-M253 HydrophobicContact CG2-SD 4.28Å
240N94.7Very high92.5Very high28 Ų2848 Ų4815%0.1524%0.237CC..EExtended strand (participates in β ladder)trans-94.8-35.9178.3-68.6-24.4000111.3N199 D200 G254 I295N199-N240 WeakPolarHBondContact CB-O 3.12Å; D200-N240 WeakPolarHBondContact CB-O 3.31Å; N240-G254 PolarHBondContact N-O 2.85Å; N240-I295 VanDerWaalsContact CB-O 3.3Å; N240-I295 WeakPolarHBondContact CB-O 3.41Å; N240-I295 PolarHBondContact ND2-O 2.73Å
241S95.8Very high92.5Very high1 Ų144.8 Ų44.81%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-151.5148.8-179.6176.10000110.8D200 Q202 V239 G254 N296 C297 V298D200-S241 WeakPolarHBondContact OD2-CB 3.01Å; D200-S241 PolarHBondContact OD2-OG 3.36Å; Q202-S241 PolarHBondContact NE2-OG 2.85Å; V239-S241 WeakPolarHBondContact CG1-O 3.35Å; S241-G254 PolarHBondContact N-O 3.2Å; S241-G254 PolarHBondContact O-N 3Å; S241-G254 VanDerWaalsContact O-O 3.08Å; S241-N296 WeakPolarHBondContact CB-O 3.09Å; S241-C297 VanDerWaalsContact CB-CA 3.49Å; S241-V298 WeakPolarHBondContact OG-CG2 3.34Å; S241-V298 PolarHBondContact OG-N 3.4Å
242A96.6Very high92.5Very high1 Ų141.8 Ų41.81%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-142.4143.8178.900000109.1Q202 I211 A213 S219 V252 M253Q202-A242 VanDerWaalsContact CD-O 3.27Å; Q202-A242 WeakPolarHBondContact CG-O 3.48Å; Q202-A242 PolarHBondContact NE2-O 2.9Å; I211-A242 HydrophobicContact CD1-CB 3.78Å; I211-A242 HydrophobicContact CG1-CB 3.88Å; I211-A242 HydrophobicContact CG2-CB 4.3Å; I211-A242 WeakPolarHBondContact CG2-O 3.45Å; A213-A242 HydrophobicContact CB-CB 3.93Å; S219-A242 WeakPolarHBondContact OG-CB 3.39Å; A242-V252 VanDerWaalsContact CA-O 3.3Å; A242-V252 WeakPolarHBondContact CA-O 3.3Å; A242-M253 HydrophobicContact CB-CG 3.96Å
243A96.4Very high92.6Very high1 Ų140.8 Ų40.81%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-137.9150.8178.800000110.4Q202 V251 V252 V298 F300Q202-A243 VanDerWaalsContact OE1-CB 3.26Å; A243-V251 WeakPolarHBondContact O-CA 3.08Å; A243-V252 HydrophobicContact CB-CG1 3.94Å; A243-V252 PolarHBondContact N-O 2.92Å; A243-V252 PolarHBondContact O-N 2.95Å; A243-V298 HydrophobicContact CB-CG2 4.16Å; A243-F300 HydrophobicContact CB-CD2 3.62Å; A243-F300 HydrophobicContact CB-CE2 4.1Å; A243-F300 WeakPolarHBondContact O-CE2 3.46Å
244I95.4Very high92.5Very high29 Ų2940.9 Ų40.915%0.14920%0.201CC..EExtended strand (participates in β ladder)trans-97.2133.7179-55.4167.6000108.4M209 I211 L221 V251 F300M209-I244 HydrophobicContact CB-CD1 4.1Å; I211-I244 HydrophobicContact CB-CD1 3.94Å; I211-I244 HydrophobicContact CB-CG1 3.75Å; I211-I244 HydrophobicContact CD1-CG1 4.28Å; I211-I244 HydrophobicContact CG2-CD1 4.09Å; I211-I244 HydrophobicContact CG2-CG1 3.68Å; L221-I244 HydrophobicContact CD1-CD1 3.59Å; L221-I244 HydrophobicContact CD1-CG1 4.13Å; I244-V251 HydrophobicContact CG1-CG1 4.39Å; I244-F300 WeakPolarHBondContact O-CD2 3.34Å
245S93.4Very high92.3Very high9 Ų933.6 Ų33.66%0.06317%0.174CC..  trans-71.4134176-172.60000111M248 H250S245-M248 WeakPolarHBondContact CB-O 3.37Å; S245-H250 WeakPolarHBondContact CB-CD2 3.41Å; S245-H250 WeakPolarHBondContact CB-NE2 3.16Å; S245-H250 WeakPolarHBondContact CB-O 3.21Å; S245-H250 PolarHBondContact N-O 2.86Å; S245-H250 PolarHBondContact OG-CE1 3.38Å; S245-H250 VanDerWaalsContact OG-CE1 3.3Å; S245-H250 PolarHBondContact OG-NE2 2.88Å
246P90.8Very high92Very high44 Ų4432.9 Ų32.929%0.28617%0.17SC..SBendtrans-70.6-33-179.1-25.536000115.7V205 F300 H301 P302V205-P246 HydrophobicContact CG2-CB 3.73Å; V205-P246 HydrophobicContact CG2-CG 3.67Å; P246-F300 HydrophobicContact CG-CB 4.29Å; P246-H301 WeakPolarHBondContact CG-O 3.34Å; P246-P302 WeakPolarHBondContact CB-O 3.48Å; P246-P302 WeakPolarHBondContact CG-O 3.14Å
247I88.9Confident91.5Very high96 Ų9629.9 Ų29.949%0.49216%0.156SC..SBendtrans-100.7-40.8-171.9-67.7-171.1000111.8D303I247-D303 WeakPolarHBondContact CD1-O 3.22Å; I247-D303 WeakPolarHBondContact CG1-O 3.22Å
248M86.6Confident90.2Very high49 Ų4930.2 Ų30.224%0.24116%0.162CC..SBendtrans-111.9153.7-168.1-66.6-69.9-71.900110S245 H250 F326S245-M248 WeakPolarHBondContact CB-O 3.37Å; M248-H250 WeakPolarHBondContact CB-CE1 3.45Å; M248-H250 WeakPolarHBondContact CB-ND1 3.35Å; M248-H250 PolarHBondContact O-N 3.4Å; M248-F326 HydrophobicContact CG-CD1 4.31Å
249D88.8Confident88.3Confident119 Ų11932.3 Ų32.364%0.63618%0.182SC*.SBendtrans-78.658.8-179.6-71.2-22.8000112.8A279D249-A279 WeakPolarHBondContact O-CB 3.49Å; D249-A279 PolarHBondContact O-N 2.82Å
250H91.5Very high86.2Confident6 Ų640.5 Ų40.53%0.02822%0.222CC..EExtended strand (participates in β ladder)trans-139.8162.6174.863.1-103000113.3S245 M248 F276 F277 F285 F300 Y325S245-H250 WeakPolarHBondContact CB-CD2 3.41Å; S245-H250 WeakPolarHBondContact CB-NE2 3.16Å; S245-H250 WeakPolarHBondContact CB-O 3.21Å; S245-H250 PolarHBondContact N-O 2.86Å; S245-H250 PolarHBondContact OG-CE1 3.38Å; S245-H250 VanDerWaalsContact OG-CE1 3.3Å; S245-H250 PolarHBondContact OG-NE2 2.88Å; M248-H250 WeakPolarHBondContact CB-CE1 3.45Å; M248-H250 WeakPolarHBondContact CB-ND1 3.35Å; M248-H250 PolarHBondContact O-N 3.4Å; H250-F276 AromaticContact CD2-CD1 3.94Å; H250-F277 CarbonylContact C-O 3.55Å; H250-F277 WeakPolarHBondContact CA-O 3.37Å; H250-F277 WeakPolarHBondContact CB-O 3.49Å; H250-F285 HydrophobicContact CB-CE1 3.59Å; H250-F285 HydrophobicContact CB-CZ 3.82Å; H250-F285 AromaticContact CG-CZ 3.9Å; H250-F300 AromaticContact CD2-CZ 3.91Å; H250-F300 AromaticContact NE2-CE1 3.99Å; H250-F300 AromaticContact NE2-CZ 3.82Å; H250-Y325 PolarHBondContact CD2-OH 3.26Å; H250-Y325 AromaticContact CE1-CE1 3.58Å; H250-Y325 AromaticContact CE1-CZ 3.47Å; H250-Y325 VanDerWaalsContact CE1-CZ 3.47Å; H250-Y325 PolarHBondContact CE1-OH 3.29Å; H250-Y325 PolarHBondContact ND1-OH 3.42Å; H250-Y325 AromaticContact NE2-CZ 3.78Å; H250-Y325 PolarHBondContact NE2-OH 3.44Å
251V94.6Very high84Confident1 Ų145.7 Ų45.71%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-122.1145.5175.2-57.30000109.3I211 F233 A243 I244 F276 F277 A279I211-V251 HydrophobicContact CD1-CB 3.71Å; I211-V251 HydrophobicContact CD1-CG1 3.69Å; I211-V251 HydrophobicContact CD1-CG2 4.23Å; F233-V251 HydrophobicContact CD1-CG2 4.26Å; F233-V251 HydrophobicContact CD2-CG2 3.92Å; F233-V251 HydrophobicContact CE1-CG2 4.14Å; F233-V251 HydrophobicContact CE2-CG1 4.22Å; F233-V251 HydrophobicContact CE2-CG2 3.79Å; F233-V251 HydrophobicContact CG-CG2 4.16Å; F233-V251 HydrophobicContact CZ-CG1 4.31Å; F233-V251 HydrophobicContact CZ-CG2 3.91Å; A243-V251 WeakPolarHBondContact O-CA 3.08Å; I244-V251 HydrophobicContact CG1-CG1 4.39Å; V251-F276 WeakPolarHBondContact O-CA 3.32Å; V251-F277 HydrophobicContact CG2-CB 3.82Å; V251-F277 PolarHBondContact N-O 2.92Å; V251-F277 PolarHBondContact O-N 2.74Å; V251-A279 HydrophobicContact CG1-CB 4.42Å
252V95.3Very high81.7Confident0 Ų050 Ų500%027%0.271CS..EExtended strand (participates in β ladder)trans-107.2136.3171.372.20000109.1A242 A243 A274 R275 F276 V298 F300 Y307A242-V252 VanDerWaalsContact CA-O 3.3Å; A242-V252 WeakPolarHBondContact CA-O 3.3Å; A243-V252 HydrophobicContact CB-CG1 3.94Å; A243-V252 PolarHBondContact N-O 2.92Å; A243-V252 PolarHBondContact O-N 2.95Å; V252-A274 HydrophobicContact CG2-CB 4.07Å; V252-R275 WeakPolarHBondContact CA-O 3.12Å; V252-F276 HydrophobicContact CB-CD1 4.27Å; V252-F276 HydrophobicContact CB-CE1 3.95Å; V252-F276 HydrophobicContact CB-CZ 4.18Å; V252-F276 HydrophobicContact CG2-CD1 4.29Å; V252-F276 HydrophobicContact CG2-CD2 4.25Å; V252-F276 HydrophobicContact CG2-CE1 3.85Å; V252-F276 HydrophobicContact CG2-CE2 3.78Å; V252-F276 HydrophobicContact CG2-CG 4.48Å; V252-F276 HydrophobicContact CG2-CZ 3.57Å; V252-V298 HydrophobicContact CG1-CB 4.17Å; V252-V298 HydrophobicContact CG1-CG2 4.03Å; V252-F300 HydrophobicContact CB-CE2 3.78Å; V252-F300 HydrophobicContact CB-CZ 3.69Å; V252-F300 HydrophobicContact CG1-CD2 3.91Å; V252-F300 HydrophobicContact CG1-CE1 4.47Å; V252-F300 HydrophobicContact CG1-CE2 3.22Å; V252-F300 HydrophobicContact CG1-CZ 3.55Å; V252-Y307 HydrophobicContact CG2-CE2 4.41Å
253M94.6Very high79.3Confident4 Ų455.8 Ų55.82%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-123.5129.8176.2-69.5-175.9-80.800110.3S219 F233 T235 V239 A242 A274 R275 F277S219-M253 WeakPolarHBondContact CB-SD 3.5Å; F233-M253 HydrophobicContact CB-CE 3.48Å; F233-M253 VanDerWaalsContact CB-CE 3.48Å; F233-M253 HydrophobicContact CB-SD 3.95Å; F233-M253 HydrophobicContact CG-CE 4.24Å; T235-M253 HydrophobicContact CG2-CE 3.91Å; T235-M253 HydrophobicContact CG2-SD 4.1Å; V239-M253 HydrophobicContact CG1-CB 4.06Å; V239-M253 HydrophobicContact CG1-CG 4.25Å; V239-M253 HydrophobicContact CG1-SD 4.37Å; V239-M253 HydrophobicContact CG2-SD 4.28Å; A242-M253 HydrophobicContact CB-CG 3.96Å; M253-A274 WeakPolarHBondContact O-CA 3.26Å; M253-R275 PolarHBondContact N-O 2.8Å; M253-R275 PolarHBondContact O-N 2.84Å; M253-F277 HydrophobicContact CE-CB 4.23Å; M253-F277 HydrophobicContact CE-CD1 4.18Å; M253-F277 HydrophobicContact CE-CD2 2.96Å; M253-F277 HydrophobicContact CE-CE1 4.28Å; M253-F277 HydrophobicContact CE-CE2 3.09Å; M253-F277 HydrophobicContact CE-CG 3.55Å; M253-F277 HydrophobicContact CE-CZ 3.79Å
254G93.2Very high76.7Confident1 Ų161.6 Ų61.61%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-111.2135.2172.400000110.5N240 S241N240-G254 PolarHBondContact N-O 2.85Å; S241-G254 PolarHBondContact N-O 3.2Å; S241-G254 PolarHBondContact O-N 3Å; S241-G254 VanDerWaalsContact O-O 3.08Å
255G89.4Confident74.1Confident14 Ų1466 Ų6614%0.14437%0.371CS..EExtended strand (participates in β ladder)trans-168.3-164.1176.600000112.9P238 I295P238-G255 WeakPolarHBondContact O-CA 3.44Å; G255-I295 PolarHBondContact O-N 2.94Å
256G83.8Confident71.6Confident6 Ų670.6 Ų70.66%0.06240%0.403CS..  trans150.6157.8-175.500000110.9P238P238-G256 PolarHBondContact O-N 2.69Å; P238-G256 VanDerWaalsContact O-N 3.17Å
257Q76.3Confident69.2Low86 Ų8674.1 Ų74.140%0.40242%0.424SS..  trans-98.7137.2172.3-165.3162.16.800108.4E261Q257-E261 WeakPolarHBondContact CG-OE2 3.11Å; Q257-E261 PolarHBondContact NE2-OE2 3.39Å
258E61.3Low67Low111 Ų11180.8 Ų80.852%0.51944%0.443SS..  trans-57.9138.1-178.2-70.9-176.5178.100110.7M260 E261E258-M260 PolarHBondContact O-N 3.1Å; E258-M260 VanDerWaalsContact O-N 3.09Å; E258-E261 PolarHBondContact O-N 2.86Å
259A53.1Low65.3Low70 Ų7083 Ų8358%0.57946%0.455SS*.G310 helixtrans-61.8-20-178.700000113.1E261 V262A259-E261 VanDerWaalsContact C-N 3.26Å; A259-E261 PolarHBondContact O-N 3.42Å; A259-V262 CarbonylContact O-C 3.58Å; A259-V262 PolarHBondContact O-N 3.43Å; A259-V262 VanDerWaalsContact O-N 3.09Å
260M49.5Very low63.7Low175 Ų17578.4 Ų78.486%0.86244%0.436SS*.G310 helixtrans-66.4-25.6178.9-160.8168.7-175.100113E258E258-M260 PolarHBondContact O-N 3.1Å; E258-M260 VanDerWaalsContact O-N 3.09Å
261E49.3Very low62.8Low137 Ų13784.4 Ų84.464%0.6446%0.462SS*.G310 helixtrans-85.3-11.6174-68.2-174.1153.900113Q257 E258 A259Q257-E261 WeakPolarHBondContact CG-OE2 3.11Å; Q257-E261 PolarHBondContact NE2-OE2 3.39Å; E258-E261 PolarHBondContact O-N 2.86Å; A259-E261 VanDerWaalsContact C-N 3.26Å; A259-E261 PolarHBondContact O-N 3.42Å
262V47.1Very low62.4Low90 Ų9085.7 Ų85.755%0.54547%0.467SS..SBendtrans-112.976.7-176.9-166.90000109A259 T264A259-V262 CarbonylContact O-C 3.58Å; A259-V262 PolarHBondContact O-N 3.43Å; A259-V262 VanDerWaalsContact O-N 3.09Å; V262-T264 PolarHBondContact O-N 3.3Å
263T45.4Very low62.1Low124 Ų12487 Ų8776%0.76147%0.474SS*.  trans-63.499.5167.841.80000109.2
264T43Very low62Low122 Ų12286.9 Ų86.975%0.74847%0.473SS*.  trans164.3142.2135.739.10000113.3V262V262-T264 PolarHBondContact O-N 3.3Å
265T39.5Very low62Low123 Ų12387.8 Ų87.876%0.75548%0.476SS*.  trans73.389.116218.50000118.9T267T265-T267 PolarHBondContact O-N 2.9Å
266S42.7Very low62.2Low104 Ų10487.1 Ų87.173%0.72747%0.469SS*.  trans-8.3104.1131.252.70000115.8
267T38.4Very low62.6Low118 Ų11887.3 Ų87.372%0.72447%0.468SS*.  173.4147.7124.728.30000109.5T265 I269T265-T267 PolarHBondContact O-N 2.9Å; T267-I269 VanDerWaalsContact C-N 3.29Å; T267-I269 PolarHBondContact O-N 2.97Å
268R44.4Very low63.4Low236 Ų23685 Ų8589%0.89146%0.457SS*.  trans-47.577.5175.3-65167.9172.8175.6-4.2113.6F292R268-F292 HydrophobicContact CB-CE1 4.47Å
269I50.9Low64.7Low95 Ų9580.6 Ų80.649%0.48744%0.44SS..  trans-118.5105.6171.4-50.2171.3000106.5T267 K271T267-I269 VanDerWaalsContact C-N 3.29Å; T267-I269 PolarHBondContact O-N 2.97Å; I269-K271 HydrophobicContact CB-CG 4.06Å; I269-K271 HydrophobicContact CG2-CD 4.2Å; I269-K271 HydrophobicContact CG2-CG 3.51Å; I269-K271 PolarHBondContact O-N 3Å
270G55.2Low66.3Low23 Ų2379.4 Ų79.424%0.23743%0.43CS..  trans-63.584.3170.700000110.4H291G270-H291 CarbonylContact C-O 3.55Å; G270-H291 WeakPolarHBondContact CA-O 3.42Å
271K72.8Confident68.1Low132 Ų13277.6 Ų77.657%0.57442%0.415SS*.  trans-97.5-2.9-179.8-68.8-171-179.5175.50112.8I269I269-K271 HydrophobicContact CB-CG 4.06Å; I269-K271 HydrophobicContact CG2-CD 4.2Å; I269-K271 HydrophobicContact CG2-CG 3.51Å; I269-K271 PolarHBondContact O-N 3Å
272F85.8Confident70Confident28 Ų2874.7 Ų74.712%0.12340%0.401CS..EExtended strand (participates in β ladder)trans-88.2134176.8-63.5-87.4000109.4H291 G293 P294F272-H291 HydrophobicContact CB-CB 4.04Å; F272-H291 PolarHBondContact N-O 2.87Å; F272-G293 WeakPolarHBondContact CB-O 3.18Å; F272-G293 VanDerWaalsContact CD2-CA 3.46Å; F272-G293 VanDerWaalsContact CD2-O 3.26Å; F272-G293 WeakPolarHBondContact CD2-O 3.28Å; F272-G293 WeakPolarHBondContact CG-O 3.39Å; F272-P294 HydrophobicContact CD1-CB 4.42Å; F272-P294 HydrophobicContact CD1-CG 4.34Å; F272-P294 HydrophobicContact CE1-CB 4.27Å; F272-P294 HydrophobicContact CE1-CG 3.74Å; F272-P294 HydrophobicContact CZ-CG 3.91Å
273E89.1Confident72Confident29 Ų2976.4 Ų76.414%0.13640%0.403CS..EExtended strand (participates in β ladder)trans-132.2138.3-168.862.7-166.1-174.100110.2R275 R287 V288 K289E273-R275 HydrophobicContact CG-CG 4.21Å; E273-R275 IonicContact OE1-CZ 3.5Å; E273-R275 IonicContact OE1-NE 4Å; E273-R275 PolarHBondContact OE1-NE 3.31Å; E273-R275 IonicContact OE1-NH2 3.45Å; E273-R275 PolarHBondContact OE1-NH2 2.88Å; E273-R287 WeakPolarHBondContact OE1-CD 3.39Å; E273-R287 IonicContact OE1-CZ 2.63Å; E273-R287 IonicContact OE1-NE 2.93Å; E273-R287 PolarHBondContact OE1-NE 2.81Å; E273-R287 IonicContact OE1-NH1 3.38Å; E273-R287 PolarHBondContact OE1-NH1 2.88Å; E273-R287 WeakPolarHBondContact OE2-CD 3.49Å; E273-V288 CarbonylContact C-O 3.53Å; E273-V288 WeakPolarHBondContact CA-O 3.19Å; E273-K289 HydrophobicContact CB-CG 4.04Å; E273-K289 WeakPolarHBondContact OE2-CE 3.43Å
274A92.6Very high74.1Confident1 Ų173.8 Ų73.81%0.00838%0.383CS..EExtended strand (participates in β ladder)trans-79.5132.3163.700000107.7V252 M253 F276 R287 V288 I295 Y307V252-A274 HydrophobicContact CG2-CB 4.07Å; M253-A274 WeakPolarHBondContact O-CA 3.26Å; A274-F276 HydrophobicContact CB-CE2 4.4Å; A274-R287 WeakPolarHBondContact O-CA 3.44Å; A274-V288 HydrophobicContact CB-CB 4.45Å; A274-V288 PolarHBondContact N-O 3.05Å; A274-V288 PolarHBondContact O-N 3.39Å; A274-I295 HydrophobicContact CB-CD1 3.94Å; A274-Y307 HydrophobicContact CB-CE2 4.25Å
275R92.8Very high76.3Confident19 Ų1969.3 Ų69.37%0.07235%0.353CS..EExtended strand (participates in β ladder)trans-108.2135.2-178-58.5-175.1174.2-170.3-4109.9E236 V252 M253 E273 F277 R287E236-R275 IonicContact OE2-CZ 3.4Å; E236-R275 IonicContact OE2-NH1 3.21Å; E236-R275 IonicContact OE2-NH2 2.85Å; E236-R275 PolarHBondContact OE2-NH2 3.47Å; V252-R275 WeakPolarHBondContact CA-O 3.12Å; M253-R275 PolarHBondContact N-O 2.8Å; M253-R275 PolarHBondContact O-N 2.84Å; E273-R275 HydrophobicContact CG-CG 4.21Å; E273-R275 IonicContact OE1-CZ 3.5Å; E273-R275 IonicContact OE1-NE 4Å; E273-R275 PolarHBondContact OE1-NE 3.31Å; E273-R275 IonicContact OE1-NH2 3.45Å; E273-R275 PolarHBondContact OE1-NH2 2.88Å; R275-F277 HydrophobicContact CB-CD2 4.21Å; R275-F277 HydrophobicContact CB-CE2 3.7Å; R275-R287 HydrophobicContact CG-CG 4.45Å
276F93.1Very high78.5Confident0 Ų063.6 Ų63.60%032%0.318CS..EExtended strand (participates in β ladder)trans-108.6127.8-179.9-72.8-99.3000109.6H250 V251 V252 A274 E284 F285 G286 V288 F300 Y307 F321H250-F276 AromaticContact CD2-CD1 3.94Å; V251-F276 WeakPolarHBondContact O-CA 3.32Å; V252-F276 HydrophobicContact CB-CD1 4.27Å; V252-F276 HydrophobicContact CB-CE1 3.95Å; V252-F276 HydrophobicContact CB-CZ 4.18Å; V252-F276 HydrophobicContact CG2-CD1 4.29Å; V252-F276 HydrophobicContact CG2-CD2 4.25Å; V252-F276 HydrophobicContact CG2-CE1 3.85Å; V252-F276 HydrophobicContact CG2-CE2 3.78Å; V252-F276 HydrophobicContact CG2-CG 4.48Å; V252-F276 HydrophobicContact CG2-CZ 3.57Å; A274-F276 HydrophobicContact CB-CE2 4.4Å; F276-E284 WeakPolarHBondContact O-CA 3.4Å; F276-F285 HydrophobicContact CB-CD1 4.27Å; F276-F285 HydrophobicContact CB-CD2 4.43Å; F276-F285 HydrophobicContact CB-CE1 3.75Å; F276-F285 HydrophobicContact CB-CE2 3.92Å; F276-F285 HydrophobicContact CB-CZ 3.56Å; F276-F285 HydrophobicContact CD1-CZ 4.2Å; F276-F285 HydrophobicContact CG-CZ 4.28Å; F276-F285 PolarHBondContact O-N 3.26Å; F276-G286 PolarHBondContact N-O 2.97Å; F276-V288 HydrophobicContact CD2-CG2 4Å; F276-V288 HydrophobicContact CE2-CB 4.32Å; F276-V288 HydrophobicContact CE2-CG2 3.43Å; F276-V288 VanDerWaalsContact CE2-CG2 3.43Å; F276-V288 HydrophobicContact CZ-CG2 4.36Å; F276-F300 HydrophobicContact CE1-CZ 4.26Å; F276-Y307 HydrophobicContact CE2-CE1 4.23Å; F276-Y307 AromaticContact CZ-CD1 3.98Å; F276-Y307 HydrophobicContact CZ-CD1 3.98Å; F276-Y307 AromaticContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE2 4.26Å; F276-Y307 HydrophobicContact CZ-CG 4.47Å; F276-Y307 AromaticContact CZ-CZ 3.72Å; F276-F321 HydrophobicContact CE1-CE1 4.07Å; F276-F321 AromaticContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CZ-CE1 4.19Å; F276-F321 HydrophobicContact CZ-CZ 4.26Å
277F93.3Very high80.8Confident10 Ų1063.2 Ų63.24%0.04430%0.3CS..EExtended strand (participates in β ladder)trans-124.4139.6-179.1-77.2-107.8000110.1F233 T235 H250 V251 M253 R275 A279 E282 E283 E284F233-F277 HydrophobicContact CB-CD1 4.29Å; F233-F277 HydrophobicContact CB-CG 4.47Å; F233-F277 HydrophobicContact CD1-CB 3.81Å; F233-F277 HydrophobicContact CD1-CD1 4.09Å; F233-F277 HydrophobicContact CD1-CG 4.22Å; F233-F277 HydrophobicContact CE1-CB 4.28Å; F233-F277 HydrophobicContact CG-CB 4.43Å; T235-F277 HydrophobicContact CG2-CE2 4.19Å; T235-F277 HydrophobicContact CG2-CZ 4.13Å; H250-F277 CarbonylContact C-O 3.55Å; H250-F277 WeakPolarHBondContact CA-O 3.37Å; H250-F277 WeakPolarHBondContact CB-O 3.49Å; V251-F277 HydrophobicContact CG2-CB 3.82Å; V251-F277 PolarHBondContact N-O 2.92Å; V251-F277 PolarHBondContact O-N 2.74Å; M253-F277 HydrophobicContact CE-CB 4.23Å; M253-F277 HydrophobicContact CE-CD1 4.18Å; M253-F277 HydrophobicContact CE-CD2 2.96Å; M253-F277 HydrophobicContact CE-CE1 4.28Å; M253-F277 HydrophobicContact CE-CE2 3.09Å; M253-F277 HydrophobicContact CE-CG 3.55Å; M253-F277 HydrophobicContact CE-CZ 3.79Å; R275-F277 HydrophobicContact CB-CD2 4.21Å; R275-F277 HydrophobicContact CB-CE2 3.7Å; F277-A279 PolarHBondContact O-N 2.78Å; F277-E282 WeakPolarHBondContact CD1-O 3.32Å; F277-E283 CarbonylContact C-O 3.55Å; F277-E283 VanDerWaalsContact CA-O 3.27Å; F277-E283 WeakPolarHBondContact CA-O 3.41Å; F277-E284 HydrophobicContact CD1-CB 4.08Å; F277-E284 HydrophobicContact CD2-CB 4.41Å; F277-E284 HydrophobicContact CD2-CG 4.18Å; F277-E284 HydrophobicContact CE1-CB 3.73Å; F277-E284 HydrophobicContact CE1-CG 4.33Å; F277-E284 HydrophobicContact CE2-CB 4.1Å; F277-E284 HydrophobicContact CE2-CG 3.78Å; F277-E284 HydrophobicContact CG-CB 4.42Å; F277-E284 HydrophobicContact CZ-CB 3.75Å; F277-E284 HydrophobicContact CZ-CG 3.88Å
278H91.4Very high83.2Confident37 Ų3758.3 Ų58.317%0.17127%0.27CS..EExtended strand (participates in β ladder)trans-71.7126.7172.5-164-73.6000109.5A280 Y281 E282 E283 F285 L330H278-A280 VanDerWaalsContact C-N 3.33Å; H278-A280 PolarHBondContact ND1-N 3.07Å; H278-A280 VanDerWaalsContact ND1-N 3.17Å; H278-A280 PolarHBondContact O-N 2.93Å; H278-Y281 HydrophobicContact CB-CD2 4.24Å; H278-Y281 AromaticContact CE1-CD2 3.52Å; H278-Y281 AromaticContact CE1-CE2 3.57Å; H278-Y281 AromaticContact CG-CD2 3.58Å; H278-Y281 AromaticContact ND1-CD2 3.26Å; H278-Y281 VanDerWaalsContact ND1-CD2 3.26Å; H278-Y281 WeakPolarHBondContact ND1-CD2 3.4Å; H278-Y281 AromaticContact ND1-CE2 3.82Å; H278-Y281 AromaticContact NE2-CD2 3.95Å; H278-Y281 AromaticContact NE2-CE2 3.9Å; H278-E282 PolarHBondContact O-N 3.3Å; H278-E283 PolarHBondContact N-O 3.26Å; H278-F285 HydrophobicContact CB-CD1 4.43Å; H278-L330 HydrophobicContact CB-CD1 4.37Å
279A88.4Confident85.3Confident19 Ų1953.8 Ų53.816%0.15726%0.257CS..THydrogen-bonded Turntrans-63.9-39.6-173.700000111.6K231 D249 V251 F277K231-A279 WeakPolarHBondContact CG-O 3.33Å; D249-A279 WeakPolarHBondContact O-CB 3.49Å; D249-A279 PolarHBondContact O-N 2.82Å; V251-A279 HydrophobicContact CG1-CB 4.42Å; F277-A279 PolarHBondContact O-N 2.78Å
280A87.4Confident86.8Confident45 Ų4550.4 Ų50.437%0.37225%0.246SC..THydrogen-bonded Turntrans-73-43-179.700000114.6K231 H278K231-A280 WeakPolarHBondContact CE-O 3.35Å; K231-A280 PolarHBondContact NZ-O 3.49Å; H278-A280 VanDerWaalsContact C-N 3.33Å; H278-A280 PolarHBondContact ND1-N 3.07Å; H278-A280 VanDerWaalsContact ND1-N 3.17Å; H278-A280 PolarHBondContact O-N 2.93Å
281Y87.4Confident88.4Confident138 Ų13849.5 Ų49.554%0.54124%0.235SC..THydrogen-bonded Turntrans-97.1-12.4-170.2-57.4-66.2000114.3H278 E283H278-Y281 HydrophobicContact CB-CD2 4.24Å; H278-Y281 AromaticContact CE1-CD2 3.52Å; H278-Y281 AromaticContact CE1-CE2 3.57Å; H278-Y281 AromaticContact CG-CD2 3.58Å; H278-Y281 AromaticContact ND1-CD2 3.26Å; H278-Y281 VanDerWaalsContact ND1-CD2 3.26Å; H278-Y281 WeakPolarHBondContact ND1-CD2 3.4Å; H278-Y281 AromaticContact ND1-CE2 3.82Å; H278-Y281 AromaticContact NE2-CD2 3.95Å; H278-Y281 AromaticContact NE2-CE2 3.9Å; Y281-E283 PolarHBondContact O-N 2.79Å
282E90.3Very high88.9Confident75 Ų7548.4 Ų48.435%0.3523%0.231SC..  trans62.617.6-176.2-48.4-178.7160.300113.9K231 S232 F233 F277 H278K231-E282 VanDerWaalsContact CA-OE1 3.3Å; K231-E282 WeakPolarHBondContact CA-OE1 3.32Å; K231-E282 HydrophobicContact CB-CG 4.36Å; K231-E282 WeakPolarHBondContact CB-OE1 3.26Å; K231-E282 HydrophobicContact CD-CG 3.83Å; K231-E282 WeakPolarHBondContact CD-OE1 3.48Å; S232-E282 PolarHBondContact N-OE1 2.69Å; F233-E282 HydrophobicContact CD1-CB 4.16Å; F233-E282 HydrophobicContact CD1-CG 4.35Å; F233-E282 HydrophobicContact CE1-CB 4.28Å; F233-E282 HydrophobicContact CE1-CG 4.12Å; F277-E282 WeakPolarHBondContact CD1-O 3.32Å; H278-E282 PolarHBondContact O-N 3.3Å
283E89.1Confident89Confident126 Ų12647.5 Ų47.559%0.58923%0.229SC*.  trans-96.8139.5-179.1-65.1-165.5163.100112.2F277 H278 Y281F277-E283 CarbonylContact C-O 3.55Å; F277-E283 VanDerWaalsContact CA-O 3.27Å; F277-E283 WeakPolarHBondContact CA-O 3.41Å; H278-E283 PolarHBondContact N-O 3.26Å; Y281-E283 PolarHBondContact O-N 2.79Å
284E89.3Confident89.1Confident70 Ų7046.2 Ų46.233%0.32722%0.224SC..EExtended strand (participates in β ladder)trans-79.2122.2175.2-165.3-157.3112.100109.9F276 F277 R287F276-E284 WeakPolarHBondContact O-CA 3.4Å; F277-E284 HydrophobicContact CD1-CB 4.08Å; F277-E284 HydrophobicContact CD2-CB 4.41Å; F277-E284 HydrophobicContact CD2-CG 4.18Å; F277-E284 HydrophobicContact CE1-CB 3.73Å; F277-E284 HydrophobicContact CE1-CG 4.33Å; F277-E284 HydrophobicContact CE2-CB 4.1Å; F277-E284 HydrophobicContact CE2-CG 3.78Å; F277-E284 HydrophobicContact CG-CB 4.42Å; F277-E284 HydrophobicContact CZ-CB 3.75Å; F277-E284 HydrophobicContact CZ-CG 3.88Å; E284-R287 VanDerWaalsContact CD-NE 3.34Å; E284-R287 WeakPolarHBondContact OE1-CD 3.41Å; E284-R287 WeakPolarHBondContact OE1-CG 3.44Å; E284-R287 IonicContact OE1-CZ 3.19Å; E284-R287 IonicContact OE1-NE 3.77Å; E284-R287 PolarHBondContact OE1-NE 3.39Å; E284-R287 IonicContact OE1-NH2 3.36Å; E284-R287 PolarHBondContact OE1-NH2 3.01Å; E284-R287 IonicContact OE2-CZ 3.36Å; E284-R287 IonicContact OE2-NE 3.28Å; E284-R287 PolarHBondContact OE2-NE 2.89Å; E284-R287 IonicContact OE2-NH2 2.83Å; E284-R287 PolarHBondContact OE2-NH2 2.63Å
285F88Confident89.1Confident28 Ų2846.2 Ų46.212%0.12322%0.223CC..EExtended strand (participates in β ladder)trans-114.2-13.3-179.870.3-92.9000113.8H250 F276 H278 Y325 F328 L330H250-F285 HydrophobicContact CB-CE1 3.59Å; H250-F285 HydrophobicContact CB-CZ 3.82Å; H250-F285 AromaticContact CG-CZ 3.9Å; F276-F285 HydrophobicContact CB-CD1 4.27Å; F276-F285 HydrophobicContact CB-CD2 4.43Å; F276-F285 HydrophobicContact CB-CE1 3.75Å; F276-F285 HydrophobicContact CB-CE2 3.92Å; F276-F285 HydrophobicContact CB-CZ 3.56Å; F276-F285 HydrophobicContact CD1-CZ 4.2Å; F276-F285 HydrophobicContact CG-CZ 4.28Å; F276-F285 PolarHBondContact O-N 3.26Å; H278-F285 HydrophobicContact CB-CD1 4.43Å; F285-Y325 HydrophobicContact CE2-CE2 4.17Å; F285-F328 HydrophobicContact CB-CE1 4.41Å; F285-F328 HydrophobicContact CD2-CD1 4.49Å; F285-F328 AromaticContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CG-CE1 4.34Å; F285-L330 HydrophobicContact CB-CD1 4.18Å
286G86.6Confident89.2Confident2 Ų247 Ų472%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-154.9145.2-174.700000114.3F276F276-G286 PolarHBondContact N-O 2.97Å
287R89.9Confident89.3Confident96 Ų9647.3 Ų47.336%0.36223%0.231SC..EExtended strand (participates in β ladder)trans-129.6132.4172.1-66.2177.3177.2-158.711.2110.1E273 A274 R275 E284E273-R287 WeakPolarHBondContact OE1-CD 3.39Å; E273-R287 IonicContact OE1-CZ 2.63Å; E273-R287 IonicContact OE1-NE 2.93Å; E273-R287 PolarHBondContact OE1-NE 2.81Å; E273-R287 IonicContact OE1-NH1 3.38Å; E273-R287 PolarHBondContact OE1-NH1 2.88Å; E273-R287 WeakPolarHBondContact OE2-CD 3.49Å; A274-R287 WeakPolarHBondContact O-CA 3.44Å; R275-R287 HydrophobicContact CG-CG 4.45Å; E284-R287 VanDerWaalsContact CD-NE 3.34Å; E284-R287 WeakPolarHBondContact OE1-CD 3.41Å; E284-R287 WeakPolarHBondContact OE1-CG 3.44Å; E284-R287 IonicContact OE1-CZ 3.19Å; E284-R287 IonicContact OE1-NE 3.77Å; E284-R287 PolarHBondContact OE1-NE 3.39Å; E284-R287 IonicContact OE1-NH2 3.36Å; E284-R287 PolarHBondContact OE1-NH2 3.01Å; E284-R287 IonicContact OE2-CZ 3.36Å; E284-R287 IonicContact OE2-NE 3.28Å; E284-R287 PolarHBondContact OE2-NE 2.89Å; E284-R287 IonicContact OE2-NH2 2.83Å; E284-R287 PolarHBondContact OE2-NH2 2.63Å
288V89.7Confident89.4Confident15 Ų1546.8 Ų46.89%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-118.3110.6179.3-175.10000109.2C5 L7 E273 A274 F276 Y307C5-V288 HydrophobicContact CB-CG2 4.28Å; L7-V288 HydrophobicContact CD1-CB 3.96Å; L7-V288 HydrophobicContact CD1-CG1 3.42Å; L7-V288 VanDerWaalsContact CD1-CG1 3.42Å; L7-V288 HydrophobicContact CD1-CG2 3.28Å; L7-V288 HydrophobicContact CG-CG2 4.49Å; E273-V288 CarbonylContact C-O 3.53Å; E273-V288 WeakPolarHBondContact CA-O 3.19Å; A274-V288 HydrophobicContact CB-CB 4.45Å; A274-V288 PolarHBondContact N-O 3.05Å; A274-V288 PolarHBondContact O-N 3.39Å; F276-V288 HydrophobicContact CD2-CG2 4Å; F276-V288 HydrophobicContact CE2-CB 4.32Å; F276-V288 HydrophobicContact CE2-CG2 3.43Å; F276-V288 VanDerWaalsContact CE2-CG2 3.43Å; F276-V288 HydrophobicContact CZ-CG2 4.36Å; V288-Y307 VanDerWaalsContact CB-OH 3.26Å; V288-Y307 WeakPolarHBondContact CB-OH 3.2Å; V288-Y307 WeakPolarHBondContact CG1-OH 3.46Å; V288-Y307 WeakPolarHBondContact CG2-OH 3.45Å
289K88.1Confident89.7Confident141 Ų14145.3 Ų45.361%0.61322%0.223SC*.EExtended strand (participates in β ladder)trans-90149.6179-62.8178.4-176.61760110E273E273-K289 HydrophobicContact CB-CG 4.04Å; E273-K289 WeakPolarHBondContact OE2-CE 3.43Å
290G82.9Confident90Very high25 Ų2545.2 Ų45.226%0.25822%0.219SC..EExtended strand (participates in β ladder)trans166.3-23.417200000114.5R317G290-R317 VanDerWaalsContact O-CZ 3.23Å; G290-R317 PolarHBondContact O-NE 2.58Å; G290-R317 VanDerWaalsContact O-NE 3.1Å; G290-R317 PolarHBondContact O-NH2 3.5Å
291H87.5Confident90.3Very high3 Ų343.9 Ų43.91%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-80.3137.6178.9-74.3-90.5000111.9G270 F272 G293 I295 S309 G311 D313 R317G270-H291 CarbonylContact C-O 3.55Å; G270-H291 WeakPolarHBondContact CA-O 3.42Å; F272-H291 HydrophobicContact CB-CB 4.04Å; F272-H291 PolarHBondContact N-O 2.87Å; H291-G293 WeakPolarHBondContact CB-O 3.38Å; H291-I295 HydrophobicContact CB-CG1 4.04Å; H291-S309 PolarHBondContact CE1-O 3.39Å; H291-S309 VanDerWaalsContact NE2-CB 3.34Å; H291-S309 WeakPolarHBondContact NE2-CB 3.15Å; H291-S309 PolarHBondContact NE2-OG 3.02Å; H291-G311 PolarHBondContact CE1-N 3.31Å; H291-G311 WeakPolarHBondContact ND1-CA 3.38Å; H291-D313 IonicContact ND1-OD1 3.94Å; H291-R317 PolarHBondContact CE1-NH1 3.35Å; H291-R317 PolarHBondContact ND1-NH1 3.03Å
292F84.9Confident90.6Very high110 Ų11038.8 Ų38.848%0.48219%0.189SC..SBendtrans-87.2-18.7177.2-63.8-75.9000112.8R268 D313R268-F292 HydrophobicContact CB-CE1 4.47Å; F292-D313 HydrophobicContact CB-CB 4.14Å; F292-D313 PolarHBondContact N-OD2 2.84Å
293G86.8Confident90.6Very high8 Ų838 Ų388%0.08219%0.187CC..SBendtrans-126176.1172.900000112F272 H291F272-G293 WeakPolarHBondContact CB-O 3.18Å; F272-G293 VanDerWaalsContact CD2-CA 3.46Å; F272-G293 VanDerWaalsContact CD2-O 3.26Å; F272-G293 WeakPolarHBondContact CD2-O 3.28Å; F272-G293 WeakPolarHBondContact CG-O 3.39Å; H291-G293 WeakPolarHBondContact CB-O 3.38Å
294P91.1Very high90.6Very high3 Ų332 Ų322%0.01916%0.159CC..  trans-46.3139.8170.9-27.634.4000112.3F272 N296 G311 E312F272-P294 HydrophobicContact CD1-CB 4.42Å; F272-P294 HydrophobicContact CD1-CG 4.34Å; F272-P294 HydrophobicContact CE1-CB 4.27Å; F272-P294 HydrophobicContact CE1-CG 3.74Å; F272-P294 HydrophobicContact CZ-CG 3.91Å; P294-N296 PolarHBondContact O-N 2.95Å; P294-G311 CarbonylContact O-C 3.58Å; P294-G311 WeakPolarHBondContact O-CA 3.41Å; P294-E312 WeakPolarHBondContact CD-OE2 3.49Å; P294-E312 WeakPolarHBondContact CG-OE2 3.41Å; P294-E312 PolarHBondContact O-N 2.81Å
295I94.1Very high90.7Very high0 Ų034.3 Ų34.30%017%0.168CC..EExtended strand (participates in β ladder)trans-79.9121.2171.8-57.1176.1000106.6N240 G255 A274 H291 C297 V298N240-I295 VanDerWaalsContact CB-O 3.3Å; N240-I295 WeakPolarHBondContact CB-O 3.41Å; N240-I295 PolarHBondContact ND2-O 2.73Å; G255-I295 PolarHBondContact O-N 2.94Å; A274-I295 HydrophobicContact CB-CD1 3.94Å; H291-I295 HydrophobicContact CB-CG1 4.04Å; I295-C297 WeakPolarHBondContact CG2-O 3.43Å; I295-V298 HydrophobicContact CG2-CG1 3.72Å
296N94.3Very high90.9Very high37 Ų3733.1 Ų33.120%0.19816%0.163CC..EExtended strand (participates in β ladder)trans-91.6-37.8-177.9-72.3-19.9000111.8I20 S241 P294 G310I20-N296 VanDerWaalsContact O-CB 3.26Å; I20-N296 WeakPolarHBondContact O-CB 3.47Å; I20-N296 PolarHBondContact O-ND2 3.39Å; S241-N296 WeakPolarHBondContact CB-O 3.09Å; P294-N296 PolarHBondContact O-N 2.95Å; N296-G310 PolarHBondContact N-O 3.18Å
297C94.9Very high91.3Very high5 Ų533 Ų333%0.03416%0.162CC..EExtended strand (participates in β ladder)trans-140.2147.7179.7590000111.6I23 S241 I295 S309 G310I23-C297 VanDerWaalsContact CG1-SG 3.59Å; S241-C297 VanDerWaalsContact CB-CA 3.49Å; I295-C297 WeakPolarHBondContact CG2-O 3.43Å; C297-S309 WeakPolarHBondContact O-CA 3.37Å; C297-G310 PolarHBondContact N-O 3.4Å; C297-G310 PolarHBondContact O-N 3.06Å
298V96.3Very high91.6Very high0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-131146.2170.2-67.80000108.9Q202 S241 A243 V252 I295 S308Q202-V298 PolarHBondContact NE2-O 3.01Å; S241-V298 WeakPolarHBondContact OG-CG2 3.34Å; S241-V298 PolarHBondContact OG-N 3.4Å; A243-V298 HydrophobicContact CB-CG2 4.16Å; V252-V298 HydrophobicContact CG1-CB 4.17Å; V252-V298 HydrophobicContact CG1-CG2 4.03Å; I295-V298 HydrophobicContact CG2-CG1 3.72Å; V298-S308 WeakPolarHBondContact CA-O 3.43Å
299A95.9Very high91.8Very high5 Ų527.8 Ų27.84%0.04114%0.141CC..EExtended strand (participates in β ladder)trans-146.5135.4175.800000109.5I23 Y25 Y307 S308I23-A299 HydrophobicContact CG2-CB 4.23Å; Y25-A299 HydrophobicContact CD2-CB 3.91Å; Y25-A299 HydrophobicContact CE2-CB 3.99Å; Y25-A299 WeakPolarHBondContact CE2-O 3.21Å; A299-Y307 CarbonylContact O-C 3.45Å; A299-Y307 WeakPolarHBondContact O-CA 3.3Å; A299-S308 PolarHBondContact N-O 3.45Å; A299-S308 PolarHBondContact O-N 2.98Å
300F95.6Very high92.2Very high18 Ų1821 Ų218%0.07911%0.111CC..EExtended strand (participates in β ladder)trans-83145.1169.1-81.9-75.1000110.5Y25 A243 I244 P246 H250 V252 F276 F321Y25-F300 WeakPolarHBondContact CD2-O 3.39Å; A243-F300 HydrophobicContact CB-CD2 3.62Å; A243-F300 HydrophobicContact CB-CE2 4.1Å; A243-F300 WeakPolarHBondContact O-CE2 3.46Å; I244-F300 WeakPolarHBondContact O-CD2 3.34Å; P246-F300 HydrophobicContact CG-CB 4.29Å; H250-F300 AromaticContact CD2-CZ 3.91Å; H250-F300 AromaticContact NE2-CE1 3.99Å; H250-F300 AromaticContact NE2-CZ 3.82Å; V252-F300 HydrophobicContact CB-CE2 3.78Å; V252-F300 HydrophobicContact CB-CZ 3.69Å; V252-F300 HydrophobicContact CG1-CD2 3.91Å; V252-F300 HydrophobicContact CG1-CE1 4.47Å; V252-F300 HydrophobicContact CG1-CE2 3.22Å; V252-F300 HydrophobicContact CG1-CZ 3.55Å; F276-F300 HydrophobicContact CE1-CZ 4.26Å; F300-F321 HydrophobicContact CD1-CE2 4.44Å; F300-F321 HydrophobicContact CE1-CE2 4.06Å; F300-F321 AromaticContact CE1-CZ 3.94Å; F300-F321 HydrophobicContact CE1-CZ 3.94Å
301H94.8Very high92.6Very high16 Ų1619.9 Ų19.97%0.07410%0.099CC..  trans-66.1142.8163.9-174.5-76.6000108.8Y25 G29 P246 D303 G304 S306Y25-H301 HydrophobicContact CD1-CB 4.19Å; Y25-H301 AromaticContact CD1-CD2 3.74Å; Y25-H301 HydrophobicContact CE1-CB 3.85Å; Y25-H301 AromaticContact CE1-CD2 3.53Å; Y25-H301 AromaticContact CE1-CG 3.99Å; Y25-H301 HydrophobicContact CE2-CB 4.44Å; G29-H301 VanDerWaalsContact C-NE2 3.27Å; G29-H301 WeakPolarHBondContact CA-NE2 3.25Å; G29-H301 PolarHBondContact O-CD2 2.82Å; G29-H301 PolarHBondContact O-NE2 3.34Å; P246-H301 WeakPolarHBondContact CG-O 3.34Å; H301-D303 IonicContact CE1-OD1 2.74Å; H301-D303 PolarHBondContact CE1-OD1 2.74Å; H301-D303 VanDerWaalsContact CE1-OD1 3.29Å; H301-D303 IonicContact CE1-OD2 2.77Å; H301-D303 IonicContact CG-OD1 2.95Å; H301-D303 PolarHBondContact ND1-N 3.35Å; H301-D303 IonicContact ND1-OD1 3.28Å; H301-D303 PolarHBondContact ND1-OD1 3.28Å; H301-D303 IonicContact ND1-OD2 3.31Å; H301-D303 PolarHBondContact O-N 3.06Å; H301-D303 VanDerWaalsContact O-N 3.15Å; H301-G304 WeakPolarHBondContact O-CA 3.17Å; H301-G304 PolarHBondContact O-N 3.25Å; H301-S306 VanDerWaalsContact CB-O 3.27Å; H301-S306 WeakPolarHBondContact CB-O 3.29Å; H301-S306 WeakPolarHBondContact CB-OG 3.25Å; H301-S306 PolarHBondContact N-O 3.22Å
302P92.2Very high92.7Very high32 Ų3222.4 Ų22.421%0.20811%0.111CC..THydrogen-bonded Turntrans-55.6-32.3-177.6-25.330.7000114.5N26 R27 P246 G304N26-P302 WeakPolarHBondContact O-CG 3.42Å; R27-P302 WeakPolarHBondContact O-CB 3.15Å; R27-P302 WeakPolarHBondContact O-CG 3.47Å; P246-P302 WeakPolarHBondContact CB-O 3.48Å; P246-P302 WeakPolarHBondContact CG-O 3.14Å; P302-G304 VanDerWaalsContact C-N 3.27Å; P302-G304 PolarHBondContact O-N 2.94Å
303D90.7Very high92.8Very high57 Ų5719 Ų1931%0.30510%0.098SC..THydrogen-bonded Turntrans-78.7-2.8175.185.5-13.5000114.4I247 H301 K305I247-D303 WeakPolarHBondContact CD1-O 3.22Å; I247-D303 WeakPolarHBondContact CG1-O 3.22Å; H301-D303 IonicContact CE1-OD1 2.74Å; H301-D303 PolarHBondContact CE1-OD1 2.74Å; H301-D303 VanDerWaalsContact CE1-OD1 3.29Å; H301-D303 IonicContact CE1-OD2 2.77Å; H301-D303 IonicContact CG-OD1 2.95Å; H301-D303 PolarHBondContact ND1-N 3.35Å; H301-D303 IonicContact ND1-OD1 3.28Å; H301-D303 PolarHBondContact ND1-OD1 3.28Å; H301-D303 IonicContact ND1-OD2 3.31Å; H301-D303 PolarHBondContact O-N 3.06Å; H301-D303 VanDerWaalsContact O-N 3.15Å; D303-K305 PolarHBondContact O-N 3.09Å; D303-K305 VanDerWaalsContact O-N 3.09Å; D303-K305 WeakPolarHBondContact OD1-CB 3.33Å; D303-K305 PolarHBondContact OD1-N 3.36Å; D303-K305 VanDerWaalsContact OD2-CD 3.32Å; D303-K305 WeakPolarHBondContact OD2-CD 3.35Å; D303-K305 WeakPolarHBondContact OD2-CG 3.04Å
304G89.8Confident92.9Very high0 Ų018.6 Ų18.60%09%0.094CC..SBendtrans65.15.4-178.800000116.9H301 P302 F321H301-G304 WeakPolarHBondContact O-CA 3.17Å; H301-G304 PolarHBondContact O-N 3.25Å; P302-G304 VanDerWaalsContact C-N 3.27Å; P302-G304 PolarHBondContact O-N 2.94Å; G304-F321 WeakPolarHBondContact O-CD2 3.25Å
305K90.4Very high93Very high119 Ų11922.1 Ų22.152%0.51711%0.107SC..SBendtrans-87.4-12-178.7-62.1-176.9-1681590114.7D303 F321 F326D303-K305 PolarHBondContact O-N 3.09Å; D303-K305 VanDerWaalsContact O-N 3.09Å; D303-K305 WeakPolarHBondContact OD1-CB 3.33Å; D303-K305 PolarHBondContact OD1-N 3.36Å; D303-K305 VanDerWaalsContact OD2-CD 3.32Å; D303-K305 WeakPolarHBondContact OD2-CD 3.35Å; D303-K305 WeakPolarHBondContact OD2-CG 3.04Å; K305-F321 VanDerWaalsContact O-CD2 3.26Å; K305-F321 WeakPolarHBondContact O-CD2 3.27Å; K305-F321 PolarHBondContact O-N 3.02Å; K305-F326 HydrophobicContact CB-CZ 4.42Å; K305-F326 HydrophobicContact CG-CZ 4.22Å
306S92.4Very high93Very high4 Ų422.1 Ų22.13%0.02811%0.107CC..EExtended strand (participates in β ladder)trans-144.4162.4173.164.60000110.8H301 H319H301-S306 VanDerWaalsContact CB-O 3.27Å; H301-S306 WeakPolarHBondContact CB-O 3.29Å; H301-S306 WeakPolarHBondContact CB-OG 3.25Å; H301-S306 PolarHBondContact N-O 3.22Å; S306-H319 CarbonylContact C-O 3.52Å; S306-H319 WeakPolarHBondContact CA-O 3.17Å; S306-H319 WeakPolarHBondContact CB-O 3.26Å
307Y94.8Very high93Very high0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans-138.1148.1168.782-80000110L7 V252 A274 F276 V288 A299 H319 F321L7-Y307 HydrophobicContact CD1-CE1 4.06Å; L7-Y307 HydrophobicContact CD2-CE1 4.3Å; V252-Y307 HydrophobicContact CG2-CE2 4.41Å; A274-Y307 HydrophobicContact CB-CE2 4.25Å; F276-Y307 HydrophobicContact CE2-CE1 4.23Å; F276-Y307 AromaticContact CZ-CD1 3.98Å; F276-Y307 HydrophobicContact CZ-CD1 3.98Å; F276-Y307 AromaticContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE1 3.55Å; F276-Y307 HydrophobicContact CZ-CE2 4.26Å; F276-Y307 HydrophobicContact CZ-CG 4.47Å; F276-Y307 AromaticContact CZ-CZ 3.72Å; V288-Y307 VanDerWaalsContact CB-OH 3.26Å; V288-Y307 WeakPolarHBondContact CB-OH 3.2Å; V288-Y307 WeakPolarHBondContact CG1-OH 3.46Å; V288-Y307 WeakPolarHBondContact CG2-OH 3.45Å; A299-Y307 CarbonylContact O-C 3.45Å; A299-Y307 WeakPolarHBondContact O-CA 3.3Å; Y307-H319 HydrophobicContact CD1-CB 3.64Å; Y307-H319 HydrophobicContact CE1-CB 3.26Å; Y307-H319 AromaticContact CE1-CG 3.57Å; Y307-H319 AromaticContact CE1-ND1 3.94Å; Y307-H319 AromaticContact CE2-ND1 3.74Å; Y307-H319 HydrophobicContact CG-CB 4.46Å; Y307-H319 AromaticContact CZ-CG 3.53Å; Y307-H319 AromaticContact CZ-ND1 3.51Å; Y307-H319 PolarHBondContact N-O 3.25Å; Y307-H319 PolarHBondContact O-N 3.49Å; Y307-F321 AromaticContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE2 4.11Å; Y307-F321 AromaticContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CE1-CE1 4.11Å; Y307-F321 HydrophobicContact CE1-CZ 4.08Å; Y307-F321 HydrophobicContact CG-CZ 4.25Å
308S95.8Very high93Very high0 Ų020.5 Ų20.50%010%0.098CC..EExtended strand (participates in β ladder)trans-109.1148.8175.3-80.60000111Y25 V298 A299 R317Y25-S308 WeakPolarHBondContact OH-CB 3.24Å; Y25-S308 PolarHBondContact OH-N 2.89Å; Y25-S308 PolarHBondContact OH-OG 2.68Å; V298-S308 WeakPolarHBondContact CA-O 3.43Å; A299-S308 PolarHBondContact N-O 3.45Å; A299-S308 PolarHBondContact O-N 2.98Å; S308-R317 VanDerWaalsContact CA-O 3.31Å; S308-R317 WeakPolarHBondContact CA-O 3.07Å
309S95.5Very high92.8Very high0 Ų020.6 Ų20.60%010%0.098CC..EExtended strand (participates in β ladder)trans-139.9134.9176.451.20000110.3H291 C297 R317 H319H291-S309 PolarHBondContact CE1-O 3.39Å; H291-S309 VanDerWaalsContact NE2-CB 3.34Å; H291-S309 WeakPolarHBondContact NE2-CB 3.15Å; H291-S309 PolarHBondContact NE2-OG 3.02Å; C297-S309 WeakPolarHBondContact O-CA 3.37Å; S309-R317 PolarHBondContact N-O 3.45Å; S309-R317 PolarHBondContact O-N 2.95Å; S309-H319 PolarHBondContact OG-CE1 3Å; S309-H319 VanDerWaalsContact OG-CE1 3.26Å
310G94.8Very high92.5Very high0 Ų022.3 Ų22.30%011%0.105CC..EExtended strand (participates in β ladder)trans-112.1124.3-17800000110.3I23 N296 C297I23-G310 VanDerWaalsContact CD1-CA 3.46Å; N296-G310 PolarHBondContact N-O 3.18Å; C297-G310 PolarHBondContact N-O 3.4Å; C297-G310 PolarHBondContact O-N 3.06Å
311G91.3Very high92.3Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-98.7162.1-176.900000113.4I20 H291 P294 D313 G314 Y315I20-G311 PolarHBondContact N-O 3.17Å; I20-G311 VanDerWaalsContact N-O 3.09Å; H291-G311 PolarHBondContact CE1-N 3.31Å; H291-G311 WeakPolarHBondContact ND1-CA 3.38Å; P294-G311 CarbonylContact O-C 3.58Å; P294-G311 WeakPolarHBondContact O-CA 3.41Å; G311-D313 WeakPolarHBondContact CA-OD1 3.35Å; G311-D313 PolarHBondContact O-N 2.97Å; G311-G314 PolarHBondContact O-N 3.19Å; G311-Y315 PolarHBondContact N-O 3.27Å
312E90.6Very high91.8Very high57 Ų5723.2 Ų23.227%0.26611%0.111SC..THydrogen-bonded Turntrans-63.2-20.3165.7-162177.8-179.400112.1S19 P294 G314S19-E312 WeakPolarHBondContact CA-O 3.26Å; S19-E312 WeakPolarHBondContact CB-O 3.36Å; S19-E312 WeakPolarHBondContact OG-CG 3.42Å; S19-E312 PolarHBondContact OG-O 3.37Å; P294-E312 WeakPolarHBondContact CD-OE2 3.49Å; P294-E312 WeakPolarHBondContact CG-OE2 3.41Å; P294-E312 PolarHBondContact O-N 2.81Å; E312-G314 PolarHBondContact O-N 3.2Å
313D87.3Confident91.3Very high37 Ų3726 Ų2620%0.19813%0.129CC..THydrogen-bonded Turntrans-69-6.1175.462.83.4000114.5H291 F292 G311 Y315 R317H291-D313 IonicContact ND1-OD1 3.94Å; F292-D313 HydrophobicContact CB-CB 4.14Å; F292-D313 PolarHBondContact N-OD2 2.84Å; G311-D313 WeakPolarHBondContact CA-OD1 3.35Å; G311-D313 PolarHBondContact O-N 2.97Å; D313-Y315 VanDerWaalsContact C-N 3.3Å; D313-Y315 HydrophobicContact CB-CD2 4.14Å; D313-Y315 PolarHBondContact OD1-N 3.27Å; D313-R317 IonicContact OD1-NH1 2.69Å; D313-R317 PolarHBondContact OD1-NH1 3.15Å; D313-R317 IonicContact OD2-CZ 3.38Å; D313-R317 VanDerWaalsContact OD2-CZ 3.31Å; D313-R317 IonicContact OD2-NH1 3.72Å; D313-R317 PolarHBondContact OD2-NH1 3.49Å; D313-R317 IonicContact OD2-NH2 3.74Å; D313-R317 PolarHBondContact OD2-NH2 2.8Å
314G89.4Confident90.9Very high0 Ų030.1 Ų30.10%015%0.147CC..SBendtrans81.37.7177.800000114.3R18 G311 E312R18-G314 WeakPolarHBondContact O-CA 3.33Å; G311-G314 PolarHBondContact O-N 3.19Å; E312-G314 PolarHBondContact O-N 3.2Å
315Y91.9Very high90.4Very high77 Ų7730.6 Ų30.630%0.30215%0.148SC..  trans-104137.5175.4-58.1-60.5000111.1L12 Q14 G311 D313L12-Y315 HydrophobicContact CD1-CG 4.25Å; L12-Y315 HydrophobicContact CD2-CD1 4.14Å; L12-Y315 HydrophobicContact CD2-CE1 4.47Å; L12-Y315 HydrophobicContact CD2-CG 4.37Å; L12-Y315 HydrophobicContact CG-CD1 4.48Å; L12-Y315 HydrophobicContact CG-CG 4.43Å; Q14-Y315 HydrophobicContact CB-CD1 4.46Å; Q14-Y315 HydrophobicContact CB-CE1 4.36Å; Q14-Y315 HydrophobicContact CG-CD1 3.79Å; Q14-Y315 HydrophobicContact CG-CE1 3.7Å; G311-Y315 PolarHBondContact N-O 3.27Å; D313-Y315 VanDerWaalsContact C-N 3.3Å; D313-Y315 HydrophobicContact CB-CD2 4.14Å; D313-Y315 PolarHBondContact OD1-N 3.27Å
316T94.3Very high89.9Confident1 Ų128 Ų281%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-96133.8165.9-60.80000108.6L13 I23L13-T316 HydrophobicContact CD1-CG2 3.79Å; L13-T316 HydrophobicContact CG-CG2 4.46Å; L13-T316 PolarHBondContact N-O 3.09Å; L13-T316 PolarHBondContact O-N 3.41Å; I23-T316 HydrophobicContact CD1-CG2 3.54Å; I23-T316 HydrophobicContact CG1-CG2 4.25Å
317R94.2Very high89.2Confident7 Ų734.2 Ų34.23%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-119.4118.4-179.8-70.3173.1-17775.8-5.5109.8I11 L12 G290 H291 S308 S309 D313 H319I11-R317 WeakPolarHBondContact O-CA 3.42Å; L12-R317 HydrophobicContact CD1-CG 3.9Å; G290-R317 VanDerWaalsContact O-CZ 3.23Å; G290-R317 PolarHBondContact O-NE 2.58Å; G290-R317 VanDerWaalsContact O-NE 3.1Å; G290-R317 PolarHBondContact O-NH2 3.5Å; H291-R317 PolarHBondContact CE1-NH1 3.35Å; H291-R317 PolarHBondContact ND1-NH1 3.03Å; S308-R317 VanDerWaalsContact CA-O 3.31Å; S308-R317 WeakPolarHBondContact CA-O 3.07Å; S309-R317 PolarHBondContact N-O 3.45Å; S309-R317 PolarHBondContact O-N 2.95Å; D313-R317 IonicContact OD1-NH1 2.69Å; D313-R317 PolarHBondContact OD1-NH1 3.15Å; D313-R317 IonicContact OD2-CZ 3.38Å; D313-R317 VanDerWaalsContact OD2-CZ 3.31Å; D313-R317 IonicContact OD2-NH1 3.72Å; D313-R317 PolarHBondContact OD2-NH1 3.49Å; D313-R317 IonicContact OD2-NH2 3.74Å; D313-R317 PolarHBondContact OD2-NH2 2.8Å; R317-H319 VanDerWaalsContact CB-CE1 3.44Å; R317-H319 WeakPolarHBondContact CB-CE1 3.21Å; R317-H319 PolarHBondContact O-ND1 3.43Å
318I94.4Very high87.9Confident0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-90.8127170.8-46.4175.9000107.8P10 I11 L13 I32P10-I318 CarbonylContact C-O 3.6Å; P10-I318 WeakPolarHBondContact CA-O 3.28Å; P10-I318 WeakPolarHBondContact CB-O 3.43Å; I11-I318 HydrophobicContact CB-CB 4.24Å; I11-I318 PolarHBondContact N-O 3.46Å; I11-I318 PolarHBondContact O-N 3.39Å; L13-I318 HydrophobicContact CD1-CD1 3.89Å; L13-I318 HydrophobicContact CD1-CG1 3.92Å; L13-I318 HydrophobicContact CD2-CD1 3.94Å; L13-I318 HydrophobicContact CD2-CG1 4.38Å; L13-I318 HydrophobicContact CG-CD1 4.19Å; L13-I318 HydrophobicContact CG-CG1 4.16Å; I32-I318 HydrophobicContact CD1-CD1 3.52Å; I32-I318 HydrophobicContact CD1-CG1 3.79Å
319H93Very high86.3Confident3 Ų346.2 Ų46.21%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-115.4122.6177-57.878.8000108.4L7 S306 Y307 S309 R317L7-H319 HydrophobicContact CD1-CB 4.33Å; L7-H319 HydrophobicContact CD2-CB 4.28Å; S306-H319 CarbonylContact C-O 3.52Å; S306-H319 WeakPolarHBondContact CA-O 3.17Å; S306-H319 WeakPolarHBondContact CB-O 3.26Å; Y307-H319 HydrophobicContact CD1-CB 3.64Å; Y307-H319 HydrophobicContact CE1-CB 3.26Å; Y307-H319 AromaticContact CE1-CG 3.57Å; Y307-H319 AromaticContact CE1-ND1 3.94Å; Y307-H319 AromaticContact CE2-ND1 3.74Å; Y307-H319 HydrophobicContact CG-CB 4.46Å; Y307-H319 AromaticContact CZ-CG 3.53Å; Y307-H319 AromaticContact CZ-ND1 3.51Å; Y307-H319 PolarHBondContact N-O 3.25Å; Y307-H319 PolarHBondContact O-N 3.49Å; S309-H319 PolarHBondContact OG-CE1 3Å; S309-H319 VanDerWaalsContact OG-CE1 3.26Å; R317-H319 VanDerWaalsContact CB-CE1 3.44Å; R317-H319 WeakPolarHBondContact CB-CE1 3.21Å; R317-H319 PolarHBondContact O-ND1 3.43Å
320H90.6Very high84.5Confident40 Ų4049.4 Ų49.419%0.18524%0.242CC..EExtended strand (participates in β ladder)trans-95132.6172-63.1-84.9000109.3Q8Q8-H320 HydrophobicContact CB-CB 4.27Å; Q8-H320 PolarHBondContact N-O 3.19Å
321F89.6Confident82.5Confident11 Ų1158.7 Ų58.75%0.04829%0.285CS..BIsolated β-bridgetrans-74.3135.3174.9-63.8-65.6000110.1L7 F276 F300 G304 K305 Y307 Y325 F326L7-F321 HydrophobicContact CD2-CD1 3.24Å; L7-F321 HydrophobicContact CD2-CE1 3.59Å; L7-F321 HydrophobicContact CD2-CG 4.13Å; F276-F321 HydrophobicContact CE1-CE1 4.07Å; F276-F321 AromaticContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CE1-CZ 3.99Å; F276-F321 HydrophobicContact CZ-CE1 4.19Å; F276-F321 HydrophobicContact CZ-CZ 4.26Å; F300-F321 HydrophobicContact CD1-CE2 4.44Å; F300-F321 HydrophobicContact CE1-CE2 4.06Å; F300-F321 AromaticContact CE1-CZ 3.94Å; F300-F321 HydrophobicContact CE1-CZ 3.94Å; G304-F321 WeakPolarHBondContact O-CD2 3.25Å; K305-F321 VanDerWaalsContact O-CD2 3.26Å; K305-F321 WeakPolarHBondContact O-CD2 3.27Å; K305-F321 PolarHBondContact O-N 3.02Å; Y307-F321 AromaticContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE1 3.88Å; Y307-F321 HydrophobicContact CD1-CE2 4.11Å; Y307-F321 AromaticContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CD1-CZ 3.4Å; Y307-F321 HydrophobicContact CE1-CE1 4.11Å; Y307-F321 HydrophobicContact CE1-CZ 4.08Å; Y307-F321 HydrophobicContact CG-CZ 4.25Å; F321-Y325 HydrophobicContact CB-CD1 3.69Å; F321-Y325 HydrophobicContact CB-CE1 4.39Å; F321-Y325 HydrophobicContact CB-CG 4Å; F321-Y325 AromaticContact CD1-CD1 3.46Å; F321-Y325 HydrophobicContact CD1-CD1 3.46Å; F321-Y325 VanDerWaalsContact CD1-CD1 3.46Å; F321-Y325 AromaticContact CD1-CD2 3.91Å; F321-Y325 HydrophobicContact CD1-CD2 3.91Å; F321-Y325 AromaticContact CD1-CE1 3.45Å; F321-Y325 HydrophobicContact CD1-CE1 3.45Å; F321-Y325 VanDerWaalsContact CD1-CE1 3.45Å; F321-Y325 AromaticContact CD1-CE2 3.93Å; F321-Y325 HydrophobicContact CD1-CE2 3.93Å; F321-Y325 AromaticContact CD1-CG 3.66Å; F321-Y325 HydrophobicContact CD1-CG 3.66Å; F321-Y325 AromaticContact CD1-CZ 3.68Å; F321-Y325 HydrophobicContact CD2-CD1 4.13Å; F321-Y325 AromaticContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CE1-CD1 4.12Å; F321-Y325 HydrophobicContact CE1-CD2 4.39Å; F321-Y325 AromaticContact CE1-CE1 3.62Å; F321-Y325 HydrophobicContact CE1-CE1 3.62Å; F321-Y325 AromaticContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CG 4.45Å; F321-Y325 AromaticContact CE1-CZ 3.5Å; F321-Y325 VanDerWaalsContact CE1-CZ 3.5Å; F321-Y325 HydrophobicContact CE2-CE1 4.15Å; F321-Y325 AromaticContact CG-CD1 3.5Å; F321-Y325 HydrophobicContact CG-CD1 3.5Å; F321-Y325 AromaticContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CG 4.02Å; F321-Y325 AromaticContact CZ-CE1 3.98Å; F321-Y325 HydrophobicContact CZ-CE1 3.98Å; F321-F326 HydrophobicContact CB-CE2 3.88Å; F321-F326 HydrophobicContact CB-CZ 3.68Å; F321-F326 HydrophobicContact CD2-CZ 4.28Å; F321-F326 HydrophobicContact CG-CZ 4.33Å
322D85.3Confident80.2Confident42 Ų4266.1 Ų66.123%0.22535%0.347CS..PPolyproline II helixtrans-72.8154.3169.4-79.3-46.3000110.5A6 Q8 Q324 Y325A6-D322 HydrophobicContact CB-CB 4.18Å; A6-D322 PolarHBondContact O-N 3.44Å; Q8-D322 WeakPolarHBondContact CG-OD1 3.48Å; Q8-D322 PolarHBondContact N-OD2 2.97Å; Q8-D322 PolarHBondContact NE2-OD1 2.99Å; D322-Q324 PolarHBondContact O-N 2.84Å; D322-Q324 VanDerWaalsContact O-N 3.08Å; D322-Y325 WeakPolarHBondContact O-CB 3.46Å; D322-Y325 PolarHBondContact O-N 3.37Å
323P82.1Confident79.7Confident92 Ų9266.6 Ų66.660%0.59735%0.351SS*.Hα-helixtrans-51.6-35.6176.8-29.436.4000113.9Y325 F326P323-Y325 PolarHBondContact O-N 2.92Å; P323-Y325 VanDerWaalsContact O-N 3.12Å; P323-F326 PolarHBondContact O-N 3.29Å
324Q81.2Confident79.3Confident142 Ų14268.1 Ų68.166%0.66436%0.359SS*.Hα-helixtrans-60.3-22.1177.1-64.6176.43.300113.6A6 D322 F326A6-Q324 HydrophobicContact CB-CB 4.34Å; D322-Q324 PolarHBondContact O-N 2.84Å; D322-Q324 VanDerWaalsContact O-N 3.08Å; Q324-F326 VanDerWaalsContact C-N 3.32Å
325Y80.3Confident78.8Confident10 Ų1071.9 Ų71.94%0.03938%0.379CS..Hα-helixtrans-65.9-36174.6-178.5-108000112.3C5 H250 F285 F321 D322 P323 F328C5-Y325 WeakPolarHBondContact SG-CD2 3.45Å; C5-Y325 WeakPolarHBondContact SG-CE2 3.42Å; H250-Y325 PolarHBondContact CD2-OH 3.26Å; H250-Y325 AromaticContact CE1-CE1 3.58Å; H250-Y325 AromaticContact CE1-CZ 3.47Å; H250-Y325 VanDerWaalsContact CE1-CZ 3.47Å; H250-Y325 PolarHBondContact CE1-OH 3.29Å; H250-Y325 PolarHBondContact ND1-OH 3.42Å; H250-Y325 AromaticContact NE2-CZ 3.78Å; H250-Y325 PolarHBondContact NE2-OH 3.44Å; F285-Y325 HydrophobicContact CE2-CE2 4.17Å; F321-Y325 HydrophobicContact CB-CD1 3.69Å; F321-Y325 HydrophobicContact CB-CE1 4.39Å; F321-Y325 HydrophobicContact CB-CG 4Å; F321-Y325 AromaticContact CD1-CD1 3.46Å; F321-Y325 HydrophobicContact CD1-CD1 3.46Å; F321-Y325 VanDerWaalsContact CD1-CD1 3.46Å; F321-Y325 AromaticContact CD1-CD2 3.91Å; F321-Y325 HydrophobicContact CD1-CD2 3.91Å; F321-Y325 AromaticContact CD1-CE1 3.45Å; F321-Y325 HydrophobicContact CD1-CE1 3.45Å; F321-Y325 VanDerWaalsContact CD1-CE1 3.45Å; F321-Y325 AromaticContact CD1-CE2 3.93Å; F321-Y325 HydrophobicContact CD1-CE2 3.93Å; F321-Y325 AromaticContact CD1-CG 3.66Å; F321-Y325 HydrophobicContact CD1-CG 3.66Å; F321-Y325 AromaticContact CD1-CZ 3.68Å; F321-Y325 HydrophobicContact CD2-CD1 4.13Å; F321-Y325 AromaticContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CD2-CE1 4Å; F321-Y325 HydrophobicContact CE1-CD1 4.12Å; F321-Y325 HydrophobicContact CE1-CD2 4.39Å; F321-Y325 AromaticContact CE1-CE1 3.62Å; F321-Y325 HydrophobicContact CE1-CE1 3.62Å; F321-Y325 AromaticContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CE2 3.95Å; F321-Y325 HydrophobicContact CE1-CG 4.45Å; F321-Y325 AromaticContact CE1-CZ 3.5Å; F321-Y325 VanDerWaalsContact CE1-CZ 3.5Å; F321-Y325 HydrophobicContact CE2-CE1 4.15Å; F321-Y325 AromaticContact CG-CD1 3.5Å; F321-Y325 HydrophobicContact CG-CD1 3.5Å; F321-Y325 AromaticContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CE1 3.7Å; F321-Y325 HydrophobicContact CG-CG 4.02Å; F321-Y325 AromaticContact CZ-CE1 3.98Å; F321-Y325 HydrophobicContact CZ-CE1 3.98Å; D322-Y325 WeakPolarHBondContact O-CB 3.46Å; D322-Y325 PolarHBondContact O-N 3.37Å; P323-Y325 PolarHBondContact O-N 2.92Å; P323-Y325 VanDerWaalsContact O-N 3.12Å; Y325-F328 VanDerWaalsContact O-CB 3.29Å; Y325-F328 WeakPolarHBondContact O-CB 3.38Å; Y325-F328 PolarHBondContact O-N 3.11Å
326F79.5Confident78Confident65 Ų6571.6 Ų71.629%0.28538%0.383SS..Hα-helixtrans-82.6-23.1-177.7-56.4-73.6000112.5M248 K305 F321 P323 Q324 F328M248-F326 HydrophobicContact CG-CD1 4.31Å; K305-F326 HydrophobicContact CB-CZ 4.42Å; K305-F326 HydrophobicContact CG-CZ 4.22Å; F321-F326 HydrophobicContact CB-CE2 3.88Å; F321-F326 HydrophobicContact CB-CZ 3.68Å; F321-F326 HydrophobicContact CD2-CZ 4.28Å; F321-F326 HydrophobicContact CG-CZ 4.33Å; P323-F326 PolarHBondContact O-N 3.29Å; Q324-F326 VanDerWaalsContact C-N 3.32Å; F326-F328 PolarHBondContact O-N 2.82Å
327D76.8Confident77Confident134 Ų13476 Ų7672%0.71741%0.407SS*.THydrogen-bonded Turntrans-79-1.2173-60-33000112.1E329D327-E329 PolarHBondContact O-N 2.79Å
328F69.1Low75.8Confident76 Ų7680.6 Ų80.633%0.33343%0.432SS..  trans-79.7100-178.1-174-102.9000111.1F285 Y325 F326 L330F285-F328 HydrophobicContact CB-CE1 4.41Å; F285-F328 HydrophobicContact CD2-CD1 4.49Å; F285-F328 AromaticContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CD2-CE1 3.94Å; F285-F328 HydrophobicContact CG-CE1 4.34Å; Y325-F328 VanDerWaalsContact O-CB 3.29Å; Y325-F328 WeakPolarHBondContact O-CB 3.38Å; Y325-F328 PolarHBondContact O-N 3.11Å; F326-F328 PolarHBondContact O-N 2.82Å; F328-L330 HydrophobicContact CE1-CD1 3.9Å; F328-L330 HydrophobicContact CE1-CD2 4.41Å; F328-L330 HydrophobicContact CE1-CG 3.65Å; F328-L330 HydrophobicContact CZ-CD2 4.21Å; F328-L330 HydrophobicContact CZ-CG 3.87Å
329E62.2Low74.5Confident177 Ų17786.4 Ų86.483%0.82746%0.463SS*.  trans-97.5127.5159.9-70.6-175.5164.900108.9D327 E331D327-E329 PolarHBondContact O-N 2.79Å; E329-E331 PolarHBondContact O-N 3.43Å
330L56.5Low73.1Confident67 Ų6792.8 Ų92.835%0.35150%0.497SS..  trans-67.4115.3167.1-89.7142.2000107.7H278 F285 F328 A332H278-L330 HydrophobicContact CB-CD1 4.37Å; F285-L330 HydrophobicContact CB-CD1 4.18Å; F328-L330 HydrophobicContact CE1-CD1 3.9Å; F328-L330 HydrophobicContact CE1-CD2 4.41Å; F328-L330 HydrophobicContact CE1-CG 3.65Å; F328-L330 HydrophobicContact CZ-CD2 4.21Å; F328-L330 HydrophobicContact CZ-CG 3.87Å; L330-A332 PolarHBondContact O-N 3.07Å; L330-A332 VanDerWaalsContact O-N 3.17Å
331E52.3Low71.6Confident194 Ų19497.2 Ų97.291%0.90752%0.523SS*.  trans-56.8120.3167.9-69.5175158.200108.3E329E329-E331 PolarHBondContact O-N 3.43Å
332A44.9Very low70Confident156 Ų156105 Ų105100%1.28957%0.567SS**  trans-70.50-17300000114.5L330L330-A332 PolarHBondContact O-N 3.07Å; L330-A332 VanDerWaalsContact O-N 3.17Å

Retrieved 332 of 332 residues in 386.6 ms (Link to these results)