A0A024F9S2_HUMAN Loading...

HLA-DRB3 protein

AlphaFold DB , UniProt , Accession A0A024F9S2, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB3, Length 226 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
1K94.8Very high96.3Very high144 Ų14480.1 Ų80.163%0.62642%0.416SS*.  0127.30-174.4-173.9178.9-157.30107.9E3 E17 R18 F20K1-E3 HydrophobicContact CD-CG 4.34Å; K1-E3 WeakPolarHBondContact CD-OE1 3.33Å; K1-E3 WeakPolarHBondContact CE-OE1 3.32Å; K1-E3 HydrophobicContact CG-CG 4.33Å; K1-E3 IonicContact NZ-OE1 2.88Å; K1-E3 PolarHBondContact NZ-OE1 3.35Å; K1-E17 CarbonylContact O-C 3.6Å; K1-E17 WeakPolarHBondContact O-CA 3.4Å; K1-R18 PolarHBondContact N-O 3.03Å; K1-R18 PolarHBondContact O-N 3.46Å; K1-F20 HydrophobicContact CB-CD2 4.42Å; K1-F20 HydrophobicContact CB-CE2 3.92Å; K1-F20 HydrophobicContact CD-CE2 4.38Å
2S96.9Very high96.4Very high61 Ų6185.6 Ų85.643%0.42743%0.427SS..EExtended strand (participates in β ladder)trans-109.9133.2-180-520000109.8L16S2-L16 CarbonylContact C-O 3.59Å
3E98Very high96.5Very high30 Ų3079.8 Ų79.814%0.1440%0.4CS..EExtended strand (participates in β ladder)trans-132141.5-175.9-56.5177.1-172.500109.5K1 H5 L16 R18K1-E3 HydrophobicContact CD-CG 4.34Å; K1-E3 WeakPolarHBondContact CD-OE1 3.33Å; K1-E3 WeakPolarHBondContact CE-OE1 3.32Å; K1-E3 HydrophobicContact CG-CG 4.33Å; K1-E3 IonicContact NZ-OE1 2.88Å; K1-E3 PolarHBondContact NZ-OE1 3.35Å; E3-H5 IonicContact OE2-CE1 3.88Å; E3-H5 IonicContact OE2-NE2 3.63Å; E3-H5 PolarHBondContact OE2-NE2 3.49Å; E3-H5 VanDerWaalsContact OE2-NE2 3.08Å; E3-L16 HydrophobicContact CB-CB 4.34Å; E3-L16 PolarHBondContact N-O 2.88Å; E3-L16 PolarHBondContact O-N 3.28Å; E3-R18 IonicContact OE1-NH1 3.38Å
4C98.3Very high96.7Very high36 Ų3679.4 Ų79.424%0.24339%0.391CS..EExtended strand (participates in β ladder)trans-122.3120.6172.8-64.50000108F6 C68C4-F6 HydrophobicContact CB-CD2 4.32Å; C4-F6 HydrophobicContact CB-CE2 3.44Å; C4-F6 VanDerWaalsContact CB-CE2 3.44Å; C4-F6 HydrophobicContact CB-CZ 3.56Å; C4-C68 HydrophobicContact CB-CB 3.63Å; C4-C68 WeakPolarHBondContact CB-SG 3.24Å; C4-C68 WeakPolarHBondContact SG-CA 3.46Å; C4-C68 WeakPolarHBondContact SG-CB 3.32Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 2.89Å
5H97.9Very high96.8Very high71 Ų7174.3 Ų74.333%0.32937%0.365SS..EExtended strand (participates in β ladder)trans-105.5119.2178.5-63.9-98.8000108.6E3 F7 V13 R14E3-H5 IonicContact OE2-CE1 3.88Å; E3-H5 IonicContact OE2-NE2 3.63Å; E3-H5 PolarHBondContact OE2-NE2 3.49Å; E3-H5 VanDerWaalsContact OE2-NE2 3.08Å; H5-F7 HydrophobicContact CB-CE2 3.88Å; H5-F7 HydrophobicContact CB-CZ 4.11Å; H5-V13 WeakPolarHBondContact O-CA 3.25Å; H5-R14 HydrophobicContact CB-CB 4.33Å; H5-R14 PolarHBondContact N-O 3.47Å; H5-R14 PolarHBondContact O-N 3.39Å
6F97.8Very high96.9Very high72 Ų7270.3 Ų70.332%0.31635%0.346SS..EExtended strand (participates in β ladder)trans-107.6127.7-173.8-63.1-83.2000110C4 G9 T10 V13 C68 Y72C4-F6 HydrophobicContact CB-CD2 4.32Å; C4-F6 HydrophobicContact CB-CE2 3.44Å; C4-F6 VanDerWaalsContact CB-CE2 3.44Å; C4-F6 HydrophobicContact CB-CZ 3.56Å; F6-G9 WeakPolarHBondContact CB-O 3.43Å; F6-T10 HydrophobicContact CD1-CG2 4.33Å; F6-V13 HydrophobicContact CD1-CG1 4.26Å; F6-V13 HydrophobicContact CD1-CG2 3.6Å; F6-V13 HydrophobicContact CE1-CG1 4.04Å; F6-V13 HydrophobicContact CE1-CG2 3.95Å; F6-C68 HydrophobicContact CE1-CB 4.16Å; F6-C68 HydrophobicContact CZ-CB 4Å; F6-C68 WeakPolarHBondContact CZ-O 3.17Å; F6-Y72 HydrophobicContact CB-CD2 4.5Å; F6-Y72 HydrophobicContact CB-CE2 4.35Å; F6-Y72 AromaticContact CD1-CD2 3.44Å; F6-Y72 HydrophobicContact CD1-CD2 3.44Å; F6-Y72 VanDerWaalsContact CD1-CD2 3.44Å; F6-Y72 HydrophobicContact CD1-CE2 4.03Å; F6-Y72 HydrophobicContact CD1-CG 4.1Å; F6-Y72 HydrophobicContact CD2-CD2 4.04Å; F6-Y72 AromaticContact CE1-CD2 3.52Å; F6-Y72 HydrophobicContact CE1-CD2 3.52Å; F6-Y72 AromaticContact CE1-CG 3.85Å; F6-Y72 HydrophobicContact CE1-CG 3.85Å; F6-Y72 HydrophobicContact CE2-CD2 4.08Å; F6-Y72 AromaticContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CE2 4.07Å; F6-Y72 AromaticContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CG 4.28Å
7F96.4Very high97Very high97 Ų9767.5 Ų67.543%0.42533%0.332SS..EExtended strand (participates in β ladder)trans-124128.6177.8-55.1-85.7000109.1H5 R12H5-F7 HydrophobicContact CB-CE2 3.88Å; H5-F7 HydrophobicContact CB-CZ 4.11Å; F7-R12 HydrophobicContact CB-CB 4.25Å; F7-R12 HydrophobicContact CD2-CG 4.28Å; F7-R12 PolarHBondContact N-O 3.32Å; F7-R12 PolarHBondContact O-N 3.25Å
8N94.9Very high97Very high137 Ų13767.1 Ų67.173%0.73333%0.326SS*.THydrogen-bonded Turntrans49.757.3-173.4-62.3-15.9000111.7T10 E11N8-T10 PolarHBondContact O-N 2.99Å; N8-E11 HydrophobicContact CB-CB 4.22Å; N8-E11 WeakPolarHBondContact CB-OE2 3.16Å; N8-E11 PolarHBondContact ND2-OE2 3.33Å; N8-E11 PolarHBondContact O-N 2.91Å
9G92.9Very high97.1Very high28 Ų2865.6 Ų65.629%0.28932%0.319SS..THydrogen-bonded Turntrans67.6-118.5-172.700000110.9F6F6-G9 WeakPolarHBondContact CB-O 3.43Å
10T96.4Very high97.1Very high62 Ų6266.3 Ų66.338%0.3832%0.32SS..THydrogen-bonded Turntrans-110.730.5178.357.90000111.4F6 N8 R69 Y72F6-T10 HydrophobicContact CD1-CG2 4.33Å; N8-T10 PolarHBondContact O-N 2.99Å; T10-R69 VanDerWaalsContact C-NH1 3.3Å; T10-R69 PolarHBondContact O-NH1 3.01Å; T10-Y72 HydrophobicContact CG2-CD1 3.31Å; T10-Y72 HydrophobicContact CG2-CD2 4.13Å; T10-Y72 HydrophobicContact CG2-CE1 3.66Å; T10-Y72 HydrophobicContact CG2-CE2 4.4Å; T10-Y72 HydrophobicContact CG2-CG 3.59Å
11E95.1Very high97Very high143 Ų14368 Ų6867%0.66833%0.327SS*.THydrogen-bonded Turntrans-70.6-61.7171.5-171-179.8179.400109.7N8 R69N8-E11 HydrophobicContact CB-CB 4.22Å; N8-E11 WeakPolarHBondContact CB-OE2 3.16Å; N8-E11 PolarHBondContact ND2-OE2 3.33Å; N8-E11 PolarHBondContact O-N 2.91Å; E11-R69 PolarHBondContact O-NH2 3.46Å
12R97.1Very high97Very high146 Ų14667.9 Ų67.955%0.55133%0.333SS*.EExtended strand (participates in β ladder)trans-112.6126.9175.6-179.4-179.7175.3-172.8-2110.2F7 D32F7-R12 HydrophobicContact CB-CB 4.25Å; F7-R12 HydrophobicContact CD2-CG 4.28Å; F7-R12 PolarHBondContact N-O 3.32Å; F7-R12 PolarHBondContact O-N 3.25Å; R12-D32 IonicContact NH2-OD2 3.25Å; R12-D32 PolarHBondContact NH2-OD2 2.95Å
13V98.3Very high96.9Very high11 Ų1174 Ų747%0.06736%0.355CS..EExtended strand (participates in β ladder)trans-130.6130.5-179.8176.50000109.4H5 F6 V64 C68 R69H5-V13 WeakPolarHBondContact O-CA 3.25Å; F6-V13 HydrophobicContact CD1-CG1 4.26Å; F6-V13 HydrophobicContact CD1-CG2 3.6Å; F6-V13 HydrophobicContact CE1-CG1 4.04Å; F6-V13 HydrophobicContact CE1-CG2 3.95Å; V13-V64 HydrophobicContact CB-CG1 3.97Å; V13-V64 HydrophobicContact CG1-CG1 4.03Å; V13-C68 HydrophobicContact CG1-CB 3.49Å; V13-C68 VanDerWaalsContact CG1-CB 3.49Å; V13-R69 HydrophobicContact CG2-CG 4.29Å
14R98.3Very high96.8Very high73 Ų7378.7 Ų78.728%0.27538%0.377SS..EExtended strand (participates in β ladder)trans-115.3121.9175.4179.8-179177.3-163.94.4109.6H5 D30 S31H5-R14 HydrophobicContact CB-CB 4.33Å; H5-R14 PolarHBondContact N-O 3.47Å; H5-R14 PolarHBondContact O-N 3.39Å; R14-D30 IonicContact CZ-OD1 3.18Å; R14-D30 IonicContact CZ-OD2 2.74Å; R14-D30 IonicContact NE-OD1 2.91Å; R14-D30 PolarHBondContact NE-OD1 3.44Å; R14-D30 IonicContact NE-OD2 2.65Å; R14-D30 PolarHBondContact NE-OD2 3.2Å; R14-D30 IonicContact NH2-OD1 3.06Å; R14-D30 IonicContact NH2-OD2 2.81Å; R14-D30 PolarHBondContact NH2-OD2 3.07Å; R14-S31 WeakPolarHBondContact CA-OG 3.46Å
15F98.6Very high96.8Very high3 Ų377.9 Ų77.91%0.01337%0.37CS..EExtended strand (participates in β ladder)trans-94.6131172.2174.6-106.5000109.5E17 F29 S31 K60 Q63 V64 Y67F15-E17 HydrophobicContact CE1-CB 4.01Å; F15-E17 HydrophobicContact CZ-CB 4.02Å; F15-F29 AromaticContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CE1 4.05Å; F15-F29 HydrophobicContact CE1-CD1 4.09Å; F15-F29 HydrophobicContact CE1-CE1 4.48Å; F15-S31 PolarHBondContact N-OG 3.04Å; F15-S31 PolarHBondContact O-N 3.2Å; F15-S31 PolarHBondContact O-OG 3.12Å; F15-K60 HydrophobicContact CE1-CD 4.45Å; F15-Q63 HydrophobicContact CB-CB 4.49Å; F15-Q63 HydrophobicContact CD1-CB 3.58Å; F15-Q63 HydrophobicContact CD1-CG 4.22Å; F15-Q63 HydrophobicContact CD2-CB 3.94Å; F15-Q63 HydrophobicContact CE1-CB 3.63Å; F15-Q63 HydrophobicContact CE1-CG 3.77Å; F15-Q63 HydrophobicContact CE2-CB 3.97Å; F15-Q63 HydrophobicContact CE2-CG 4.42Å; F15-Q63 HydrophobicContact CG-CB 3.73Å; F15-Q63 HydrophobicContact CZ-CB 3.82Å; F15-Q63 HydrophobicContact CZ-CG 3.88Å; F15-V64 HydrophobicContact CB-CG2 3.93Å; F15-Y67 HydrophobicContact CD2-CD1 4.4Å; F15-Y67 HydrophobicContact CE2-CD1 4.13Å; F15-Y67 HydrophobicContact CE2-CE1 4.49Å
16L98.3Very high96.8Very high10 Ų1076.4 Ų76.45%0.05236%0.362CS..EExtended strand (participates in β ladder)trans-132120.1-179.9-168.773.4000109.3S2 E3 R18 F29 D30S2-L16 CarbonylContact C-O 3.59Å; E3-L16 HydrophobicContact CB-CB 4.34Å; E3-L16 PolarHBondContact N-O 2.88Å; E3-L16 PolarHBondContact O-N 3.28Å; L16-R18 HydrophobicContact CD2-CG 3.87Å; L16-R18 HydrophobicContact CG-CG 3.81Å; L16-F29 WeakPolarHBondContact CA-O 3.46Å; L16-F29 WeakPolarHBondContact CD1-O 3.39Å; L16-D30 HydrophobicContact CD1-CB 3.81Å
17E98.3Very high96.9Very high24 Ų2473 Ų7311%0.11235%0.347CS..EExtended strand (participates in β ladder)trans-109.8120.3171.3-175.8178.3-140.100108.8K1 F15 H19 R28 F29 Y36 K60K1-E17 CarbonylContact O-C 3.6Å; K1-E17 WeakPolarHBondContact O-CA 3.4Å; F15-E17 HydrophobicContact CE1-CB 4.01Å; F15-E17 HydrophobicContact CZ-CB 4.02Å; E17-H19 IonicContact OE2-NE2 2.87Å; E17-R28 CarbonylContact O-C 3.59Å; E17-R28 WeakPolarHBondContact O-CA 3.15Å; E17-R28 WeakPolarHBondContact O-CB 3.41Å; E17-F29 HydrophobicContact CB-CB 4.27Å; E17-F29 PolarHBondContact N-O 3.27Å; E17-F29 PolarHBondContact O-N 3.44Å; E17-Y36 PolarHBondContact OE2-OH 3.38Å; E17-K60 IonicContact OE1-NZ 3.94Å; E17-K60 PolarHBondContact OE1-NZ 3.41Å; E17-K60 VanDerWaalsContact OE2-CD 3.32Å; E17-K60 WeakPolarHBondContact OE2-CD 3.49Å; E17-K60 VanDerWaalsContact OE2-CE 3.25Å; E17-K60 WeakPolarHBondContact OE2-CE 3.49Å; E17-K60 IonicContact OE2-NZ 2.77Å; E17-K60 PolarHBondContact OE2-NZ 3.4Å
18R98.2Very high97Very high60 Ų6071.8 Ų71.823%0.22634%0.339CS..EExtended strand (participates in β ladder)trans-117.6132-174.5-56.8175.873.4-172.5-1.1110.1K1 E3 L16 F20 E25 R28K1-R18 PolarHBondContact N-O 3.03Å; K1-R18 PolarHBondContact O-N 3.46Å; E3-R18 IonicContact OE1-NH1 3.38Å; L16-R18 HydrophobicContact CD2-CG 3.87Å; L16-R18 HydrophobicContact CG-CG 3.81Å; R18-F20 HydrophobicContact CB-CD2 4.29Å; R18-F20 HydrophobicContact CB-CE2 3.42Å; R18-F20 VanDerWaalsContact CB-CE2 3.42Å; R18-F20 HydrophobicContact CB-CZ 3.82Å; R18-E25 HydrophobicContact CB-CG 4.49Å; R18-E25 WeakPolarHBondContact CG-OE1 3.43Å; R18-E25 IonicContact CZ-OE1 2.76Å; R18-E25 IonicContact CZ-OE2 3.44Å; R18-E25 IonicContact NE-OE1 2.65Å; R18-E25 PolarHBondContact NE-OE1 2.73Å; R18-E25 IonicContact NE-OE2 3.66Å; R18-E25 PolarHBondContact NE-OE2 2.95Å; R18-E25 VanDerWaalsContact NE-OE2 3.16Å; R18-E25 IonicContact NH2-OE1 3.75Å; R18-E25 IonicContact NH2-OE2 3.68Å; R18-E25 PolarHBondContact NH2-OE2 3.39Å; R18-R28 HydrophobicContact CG-CB 4.46Å
19H97.8Very high97.1Very high39 Ų3965.2 Ų65.218%0.18130%0.304CS..EExtended strand (participates in β ladder)trans-109.9130.4178.8-62.1-97.7000110.1E17 E25 Y26 A27 Y36 W50E17-H19 IonicContact OE2-NE2 2.87Å; H19-E25 WeakPolarHBondContact O-CA 3.4Å; H19-Y26 HydrophobicContact CB-CD1 4.36Å; H19-Y26 HydrophobicContact CB-CD2 4.41Å; H19-Y26 HydrophobicContact CB-CE1 3.75Å; H19-Y26 HydrophobicContact CB-CE2 3.78Å; H19-Y26 VanDerWaalsContact CB-CZ 3.43Å; H19-Y26 WeakPolarHBondContact O-CD1 3.17Å; H19-Y26 PolarHBondContact O-N 3.08Å; H19-A27 PolarHBondContact N-O 3.3Å; H19-Y36 AromaticContact NE2-CE1 3.75Å; H19-W50 HydrophobicContact CB-CH2 4.41Å; H19-W50 AromaticContact CD2-CH2 3.88Å; H19-W50 AromaticContact CD2-CZ3 3.74Å; H19-W50 AromaticContact CE1-CH2 3.74Å; H19-W50 AromaticContact CG-CH2 3.74Å; H19-W50 AromaticContact ND1-CH2 3.65Å; H19-W50 AromaticContact NE2-CH2 3.91Å; H19-W50 AromaticContact NE2-CZ3 3.87Å
20F97.6Very high97.4Very high78 Ų7864.7 Ų64.734%0.34230%0.295SS..EExtended strand (participates in β ladder)trans-123.9141.4-173.8-62.2-94.5000110.5K1 R18 E24 E25 Y26K1-F20 HydrophobicContact CB-CD2 4.42Å; K1-F20 HydrophobicContact CB-CE2 3.92Å; K1-F20 HydrophobicContact CD-CE2 4.38Å; R18-F20 HydrophobicContact CB-CD2 4.29Å; R18-F20 HydrophobicContact CB-CE2 3.42Å; R18-F20 VanDerWaalsContact CB-CE2 3.42Å; R18-F20 HydrophobicContact CB-CZ 3.82Å; F20-E24 CarbonylContact C-O 3.53Å; F20-E24 VanDerWaalsContact CA-O 3.3Å; F20-E24 WeakPolarHBondContact CA-O 3.41Å; F20-E25 HydrophobicContact CD1-CB 3.76Å; F20-E25 HydrophobicContact CD1-CG 4.4Å; F20-E25 HydrophobicContact CE1-CB 3.59Å; F20-E25 HydrophobicContact CE1-CG 4.11Å; F20-E25 HydrophobicContact CZ-CB 4.3Å; F20-E25 HydrophobicContact CZ-CG 4.35Å; F20-Y26 VanDerWaalsContact C-CE1 3.5Å
21H96.1Very high97.5Very high103 Ų10363 Ų6348%0.47729%0.286SS..EExtended strand (participates in β ladder)trans-119120.8165.5178.5-106000106.6Q23 E24 Y26 L42H21-Q23 PolarHBondContact O-N 3.21Å; H21-E24 PolarHBondContact N-O 3.19Å; H21-E24 PolarHBondContact O-N 3.12Å; H21-Y26 HydrophobicContact CB-CD1 3.83Å; H21-Y26 HydrophobicContact CB-CE1 4.18Å; H21-L42 HydrophobicContact CB-CD2 4.11Å
22N93.8Very high97.6Very high141 Ų14160.2 Ų60.275%0.75428%0.275SS*.THydrogen-bonded Turntrans54.2-119.1-162.3-55.5-41.8000110.7
23Q94.8Very high97.6Very high189 Ų18956.9 Ų56.988%0.88327%0.271SS*.THydrogen-bonded Turntrans-106.25.7176.9-64.7-179.9-19.300112.4H21H21-Q23 PolarHBondContact O-N 3.21Å
24E96.6Very high97.6Very high130 Ų13056.9 Ų56.961%0.60727%0.273SS*.EExtended strand (participates in β ladder)trans-100.5124.1-178.5-63.8-169.9175.800110.5F20 H21 Y26F20-E24 CarbonylContact C-O 3.53Å; F20-E24 VanDerWaalsContact CA-O 3.3Å; F20-E24 WeakPolarHBondContact CA-O 3.41Å; H21-E24 PolarHBondContact N-O 3.19Å; H21-E24 PolarHBondContact O-N 3.12Å; E24-Y26 PolarHBondContact O-N 3.01Å
25E98.1Very high97.6Very high18 Ų1856.2 Ų56.28%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-73.5123.3171.5-171.7179.9-173.500109.8R18 H19 F20 R28 V39 R40R18-E25 HydrophobicContact CB-CG 4.49Å; R18-E25 WeakPolarHBondContact CG-OE1 3.43Å; R18-E25 IonicContact CZ-OE1 2.76Å; R18-E25 IonicContact CZ-OE2 3.44Å; R18-E25 IonicContact NE-OE1 2.65Å; R18-E25 PolarHBondContact NE-OE1 2.73Å; R18-E25 IonicContact NE-OE2 3.66Å; R18-E25 PolarHBondContact NE-OE2 2.95Å; R18-E25 VanDerWaalsContact NE-OE2 3.16Å; R18-E25 IonicContact NH2-OE1 3.75Å; R18-E25 IonicContact NH2-OE2 3.68Å; R18-E25 PolarHBondContact NH2-OE2 3.39Å; H19-E25 WeakPolarHBondContact O-CA 3.4Å; F20-E25 HydrophobicContact CD1-CB 3.76Å; F20-E25 HydrophobicContact CD1-CG 4.4Å; F20-E25 HydrophobicContact CE1-CB 3.59Å; F20-E25 HydrophobicContact CE1-CG 4.11Å; F20-E25 HydrophobicContact CZ-CB 4.3Å; F20-E25 HydrophobicContact CZ-CG 4.35Å; E25-R28 WeakPolarHBondContact OE1-CB 3.38Å; E25-R28 IonicContact OE1-CZ 2.97Å; E25-R28 VanDerWaalsContact OE1-CZ 3.25Å; E25-R28 IonicContact OE1-NE 2.84Å; E25-R28 PolarHBondContact OE1-NE 3.09Å; E25-R28 IonicContact OE1-NH2 2.83Å; E25-R28 PolarHBondContact OE1-NH2 3.11Å; E25-R28 VanDerWaalsContact OE1-NH2 3.11Å; E25-R28 IonicContact OE2-CZ 2.75Å; E25-R28 IonicContact OE2-NE 3.24Å; E25-R28 IonicContact OE2-NH2 2.67Å; E25-R28 PolarHBondContact OE2-NH2 3.05Å; E25-V39 HydrophobicContact CB-CG1 4.5Å; E25-V39 HydrophobicContact CG-CB 4.39Å; E25-V39 HydrophobicContact CG-CG2 4.04Å; E25-R40 VanDerWaalsContact O-CG 3.32Å; E25-R40 WeakPolarHBondContact O-CG 3.46Å
26Y98.2Very high97.6Very high41 Ų4156.3 Ų56.316%0.16127%0.273CS..EExtended strand (participates in β ladder)trans-105.1-31.2-178.666.6-98.9000113.1H19 F20 H21 E24 V39 R40 G43 D46 W50H19-Y26 HydrophobicContact CB-CD1 4.36Å; H19-Y26 HydrophobicContact CB-CD2 4.41Å; H19-Y26 HydrophobicContact CB-CE1 3.75Å; H19-Y26 HydrophobicContact CB-CE2 3.78Å; H19-Y26 VanDerWaalsContact CB-CZ 3.43Å; H19-Y26 WeakPolarHBondContact O-CD1 3.17Å; H19-Y26 PolarHBondContact O-N 3.08Å; F20-Y26 VanDerWaalsContact C-CE1 3.5Å; H21-Y26 HydrophobicContact CB-CD1 3.83Å; H21-Y26 HydrophobicContact CB-CE1 4.18Å; E24-Y26 PolarHBondContact O-N 3.01Å; Y26-V39 PolarHBondContact O-N 3.48Å; Y26-R40 PolarHBondContact O-N 3.28Å; Y26-R40 VanDerWaalsContact O-N 3.16Å; Y26-G43 WeakPolarHBondContact O-CA 3.47Å; Y26-D46 HydrophobicContact CE2-CB 4.39Å; Y26-D46 WeakPolarHBondContact CE2-OD2 3.18Å; Y26-W50 HydrophobicContact CE2-CH2 4.18Å
27A98.4Very high97.6Very high0 Ų062.7 Ų62.70%030%0.297CS..EExtended strand (participates in β ladder)trans-149.1155.4178.300000111.2H19 R37 W50H19-A27 PolarHBondContact N-O 3.3Å; A27-R37 CarbonylContact C-O 3.42Å; A27-R37 WeakPolarHBondContact CA-O 3.41Å; A27-W50 HydrophobicContact CB-CZ3 3.85Å
28R98.5Very high97.6Very high71 Ų7163.5 Ų63.527%0.26831%0.307SS..EExtended strand (participates in β ladder)trans-147.6150.8175.264.5174.464.1165.27.4112.8E17 R18 E25 Y36 R37 V39E17-R28 CarbonylContact O-C 3.59Å; E17-R28 WeakPolarHBondContact O-CA 3.15Å; E17-R28 WeakPolarHBondContact O-CB 3.41Å; R18-R28 HydrophobicContact CG-CB 4.46Å; E25-R28 WeakPolarHBondContact OE1-CB 3.38Å; E25-R28 IonicContact OE1-CZ 2.97Å; E25-R28 VanDerWaalsContact OE1-CZ 3.25Å; E25-R28 IonicContact OE1-NE 2.84Å; E25-R28 PolarHBondContact OE1-NE 3.09Å; E25-R28 IonicContact OE1-NH2 2.83Å; E25-R28 PolarHBondContact OE1-NH2 3.11Å; E25-R28 VanDerWaalsContact OE1-NH2 3.11Å; E25-R28 IonicContact OE2-CZ 2.75Å; E25-R28 IonicContact OE2-NE 3.24Å; E25-R28 IonicContact OE2-NH2 2.67Å; E25-R28 PolarHBondContact OE2-NH2 3.05Å; R28-Y36 CarbonylContact O-C 3.47Å; R28-Y36 VanDerWaalsContact O-CA 3.24Å; R28-Y36 WeakPolarHBondContact O-CA 3.37Å; R28-R37 PolarHBondContact N-O 3.5Å; R28-R37 PolarHBondContact O-N 3.49Å; R28-V39 HydrophobicContact CB-CG2 4.42Å; R28-V39 HydrophobicContact CG-CG2 3.87Å
29F98.6Very high97.5Very high0 Ų063.2 Ų63.20%031%0.312CS..EExtended strand (participates in β ladder)trans-103134.2158.8177.9-87000109F15 L16 E17 Y36 L57 K60 R61F15-F29 AromaticContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CD1 3.94Å; F15-F29 HydrophobicContact CD1-CE1 4.05Å; F15-F29 HydrophobicContact CE1-CD1 4.09Å; F15-F29 HydrophobicContact CE1-CE1 4.48Å; L16-F29 WeakPolarHBondContact CA-O 3.46Å; L16-F29 WeakPolarHBondContact CD1-O 3.39Å; E17-F29 HydrophobicContact CB-CB 4.27Å; E17-F29 PolarHBondContact N-O 3.27Å; E17-F29 PolarHBondContact O-N 3.44Å; F29-Y36 HydrophobicContact CB-CD1 3.67Å; F29-Y36 HydrophobicContact CB-CD2 4.34Å; F29-Y36 HydrophobicContact CB-CE1 3.5Å; F29-Y36 HydrophobicContact CB-CE2 4.18Å; F29-Y36 HydrophobicContact CB-CG 4.1Å; F29-Y36 AromaticContact CD2-CD2 3.97Å; F29-Y36 HydrophobicContact CD2-CD2 3.97Å; F29-Y36 AromaticContact CD2-CE2 3.94Å; F29-Y36 HydrophobicContact CD2-CE2 3.94Å; F29-Y36 HydrophobicContact CD2-CG 4.38Å; F29-Y36 HydrophobicContact CG-CE2 4.42Å; F29-L57 HydrophobicContact CD2-CD2 4.38Å; F29-L57 HydrophobicContact CE2-CD2 4.13Å; F29-K60 HydrophobicContact CD1-CB 4.09Å; F29-K60 HydrophobicContact CD2-CB 3.92Å; F29-K60 HydrophobicContact CE1-CB 3.85Å; F29-K60 HydrophobicContact CE2-CB 3.67Å; F29-K60 HydrophobicContact CG-CB 4.13Å; F29-K60 HydrophobicContact CZ-CB 3.64Å; F29-R61 HydrophobicContact CE2-CG 4.45Å; F29-R61 HydrophobicContact CZ-CG 3.91Å
30D98.4Very high97.5Very high16 Ų1668.4 Ų68.49%0.08633%0.33CS..EExtended strand (participates in β ladder)trans-126.8122.3178.2-171.9-14.3000109R14 L16 D32 V33 G34R14-D30 IonicContact CZ-OD1 3.18Å; R14-D30 IonicContact CZ-OD2 2.74Å; R14-D30 IonicContact NE-OD1 2.91Å; R14-D30 PolarHBondContact NE-OD1 3.44Å; R14-D30 IonicContact NE-OD2 2.65Å; R14-D30 PolarHBondContact NE-OD2 3.2Å; R14-D30 IonicContact NH2-OD1 3.06Å; R14-D30 IonicContact NH2-OD2 2.81Å; R14-D30 PolarHBondContact NH2-OD2 3.07Å; L16-D30 HydrophobicContact CD1-CB 3.81Å; D30-D32 PolarHBondContact O-N 3.36Å; D30-D32 PolarHBondContact OD1-N 3.47Å; D30-D32 VanDerWaalsContact OD1-N 3.14Å; D30-V33 HydrophobicContact CB-CB 4.22Å; D30-V33 HydrophobicContact CB-CG2 3.95Å; D30-V33 CarbonylContact O-C 3.58Å; D30-V33 PolarHBondContact O-N 2.95Å; D30-G34 PolarHBondContact O-N 3Å
31S98.1Very high97.4Very high27 Ų2770.5 Ų70.519%0.18934%0.341CS..THydrogen-bonded Turntrans-61.5-28.5-178.862.50000113.2R14 F15 V33R14-S31 WeakPolarHBondContact CA-OG 3.46Å; F15-S31 PolarHBondContact N-OG 3.04Å; F15-S31 PolarHBondContact O-N 3.2Å; F15-S31 PolarHBondContact O-OG 3.12Å; S31-V33 PolarHBondContact O-N 3.47Å
32D97.4Very high97.4Very high84 Ų8470.5 Ų70.545%0.44934%0.344SS..THydrogen-bonded Turntrans-71.4-19.3177.3-73.610.1000111.4R12 D30R12-D32 IonicContact NH2-OD2 3.25Å; R12-D32 PolarHBondContact NH2-OD2 2.95Å; D30-D32 PolarHBondContact O-N 3.36Å; D30-D32 PolarHBondContact OD1-N 3.47Å; D30-D32 VanDerWaalsContact OD1-N 3.14Å
33V97.9Very high97.6Very high77 Ų7763.8 Ų63.847%0.46731%0.308SS..THydrogen-bonded Turntrans-100.9-36176.2-173.90000111.4D30 S31 E35 R37D30-V33 HydrophobicContact CB-CB 4.22Å; D30-V33 HydrophobicContact CB-CG2 3.95Å; D30-V33 CarbonylContact O-C 3.58Å; D30-V33 PolarHBondContact O-N 2.95Å; S31-V33 PolarHBondContact O-N 3.47Å; V33-E35 HydrophobicContact CG1-CG 4.02Å; V33-R37 HydrophobicContact CG1-CG 4.46Å
34G97.5Very high97.8Very high11 Ų1160.9 Ų60.911%0.11329%0.289CS..THydrogen-bonded Turntrans83.412.6176.300000115.6D30 R61D30-G34 PolarHBondContact O-N 3Å; G34-R61 VanDerWaalsContact O-CZ 3.3Å; G34-R61 PolarHBondContact O-NE 2.82Å; G34-R61 PolarHBondContact O-NH2 3.04Å
35E98.2Very high97.8Very high58 Ų5858.4 Ų58.427%0.27129%0.285SS..EExtended strand (participates in β ladder)trans-155.3169178.563.9-179-168.800112V33 R37 L57V33-E35 HydrophobicContact CG1-CG 4.02Å; E35-R37 IonicContact OE1-CZ 3.62Å; E35-R37 IonicContact OE1-NE 3.11Å; E35-R37 PolarHBondContact OE1-NE 2.98Å; E35-R37 IonicContact OE1-NH2 3.12Å; E35-R37 PolarHBondContact OE1-NH2 3.3Å; E35-L57 HydrophobicContact CB-CD2 4.2Å
36Y98.4Very high97.8Very high5 Ų560 Ų602%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-76.2139173.8-71.5-91.4000111.3E17 H19 R28 F29 W50 N51 L56 L57 K60E17-Y36 PolarHBondContact OE2-OH 3.38Å; H19-Y36 AromaticContact NE2-CE1 3.75Å; R28-Y36 CarbonylContact O-C 3.47Å; R28-Y36 VanDerWaalsContact O-CA 3.24Å; R28-Y36 WeakPolarHBondContact O-CA 3.37Å; F29-Y36 HydrophobicContact CB-CD1 3.67Å; F29-Y36 HydrophobicContact CB-CD2 4.34Å; F29-Y36 HydrophobicContact CB-CE1 3.5Å; F29-Y36 HydrophobicContact CB-CE2 4.18Å; F29-Y36 HydrophobicContact CB-CG 4.1Å; F29-Y36 AromaticContact CD2-CD2 3.97Å; F29-Y36 HydrophobicContact CD2-CD2 3.97Å; F29-Y36 AromaticContact CD2-CE2 3.94Å; F29-Y36 HydrophobicContact CD2-CE2 3.94Å; F29-Y36 HydrophobicContact CD2-CG 4.38Å; F29-Y36 HydrophobicContact CG-CE2 4.42Å; Y36-W50 HydrophobicContact CD1-CD2 4.27Å; Y36-W50 AromaticContact CD1-CE3 3.31Å; Y36-W50 HydrophobicContact CD1-CE3 3.31Å; Y36-W50 AromaticContact CD1-CZ3 3.81Å; Y36-W50 HydrophobicContact CD1-CZ3 3.81Å; Y36-W50 HydrophobicContact CD2-CB 3.59Å; Y36-W50 HydrophobicContact CD2-CE3 4.37Å; Y36-W50 HydrophobicContact CD2-CG 4.48Å; Y36-W50 HydrophobicContact CE1-CD2 4.3Å; Y36-W50 AromaticContact CE1-CE3 3.59Å; Y36-W50 HydrophobicContact CE1-CE3 3.59Å; Y36-W50 AromaticContact CE1-CZ3 3.99Å; Y36-W50 HydrophobicContact CE1-CZ3 3.99Å; Y36-W50 HydrophobicContact CE2-CB 3.88Å; Y36-W50 HydrophobicContact CG-CB 3.99Å; Y36-W50 HydrophobicContact CG-CD2 4.48Å; Y36-W50 AromaticContact CG-CE3 3.74Å; Y36-W50 HydrophobicContact CG-CE3 3.74Å; Y36-N51 WeakPolarHBondContact CB-OD1 3.37Å; Y36-N51 PolarHBondContact N-OD1 3.41Å; Y36-N51 PolarHBondContact O-ND2 3.38Å; Y36-L56 HydrophobicContact CE2-CD2 4.29Å; Y36-L56 HydrophobicContact CE2-CG 4.44Å; Y36-L57 HydrophobicContact CD2-CD2 3.97Å; Y36-L57 HydrophobicContact CE2-CD2 4.35Å; Y36-K60 HydrophobicContact CE2-CG 4.2Å; Y36-K60 VanDerWaalsContact OH-CD 3.3Å; Y36-K60 WeakPolarHBondContact OH-CD 3.42Å; Y36-K60 WeakPolarHBondContact OH-CE 3.36Å; Y36-K60 WeakPolarHBondContact OH-CG 3.42Å
37R98.4Very high97.9Very high145 Ų14558.4 Ų58.455%0.54729%0.289SS..EExtended strand (participates in β ladder)trans-127.2131.9173.7-69.3-67.5-178152.4-2109.8A27 R28 V33 E35 V39A27-R37 CarbonylContact C-O 3.42Å; A27-R37 WeakPolarHBondContact CA-O 3.41Å; R28-R37 PolarHBondContact N-O 3.5Å; R28-R37 PolarHBondContact O-N 3.49Å; V33-R37 HydrophobicContact CG1-CG 4.46Å; E35-R37 IonicContact OE1-CZ 3.62Å; E35-R37 IonicContact OE1-NE 3.11Å; E35-R37 PolarHBondContact OE1-NE 2.98Å; E35-R37 IonicContact OE1-NH2 3.12Å; E35-R37 PolarHBondContact OE1-NH2 3.3Å; R37-V39 PolarHBondContact O-N 3.14Å
38A97.9Very high97.8Very high40 Ų4065 Ų6533%0.33132%0.319SS..EExtended strand (participates in β ladder)trans-67.1123.4167.700000109R44 A47A38-R44 HydrophobicContact CB-CB 4.4Å; A38-R44 HydrophobicContact CB-CG 3.89Å; A38-A47 HydrophobicContact CB-CB 4.17Å
39V97.8Very high97.8Very high54 Ų5468.3 Ų68.333%0.32733%0.333SS..SBendtrans-85.8-29.2172.4-179.10000110E25 Y26 R28 R37E25-V39 HydrophobicContact CB-CG1 4.5Å; E25-V39 HydrophobicContact CG-CB 4.39Å; E25-V39 HydrophobicContact CG-CG2 4.04Å; Y26-V39 PolarHBondContact O-N 3.48Å; R28-V39 HydrophobicContact CB-CG2 4.42Å; R28-V39 HydrophobicContact CG-CG2 3.87Å; R37-V39 PolarHBondContact O-N 3.14Å
40R96.6Very high97.8Very high148 Ų14870.2 Ų70.256%0.55834%0.34SS*.SBendtrans-133163.9176.7-61.6-63.9-171.3-174.64.3110.5E25 Y26 L42 G43E25-R40 VanDerWaalsContact O-CG 3.32Å; E25-R40 WeakPolarHBondContact O-CG 3.46Å; Y26-R40 PolarHBondContact O-N 3.28Å; Y26-R40 VanDerWaalsContact O-N 3.16Å; R40-L42 PolarHBondContact O-N 3.13Å; R40-G43 PolarHBondContact O-N 2.96Å
41E95.9Very high97.8Very high123 Ų12371 Ų7158%0.57534%0.344SS*.G310 helixtrans-50.2-42.9174.7-64.9-56117.600112.9G43 R44E41-G43 PolarHBondContact O-N 3.43Å; E41-G43 VanDerWaalsContact O-N 3.14Å; E41-R44 VanDerWaalsContact CD-CZ 3.43Å; E41-R44 VanDerWaalsContact CD-NE 3.3Å; E41-R44 WeakPolarHBondContact O-CB 3.31Å; E41-R44 PolarHBondContact O-N 2.87Å; E41-R44 VanDerWaalsContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.16Å; E41-R44 VanDerWaalsContact OE1-CZ 3.24Å; E41-R44 IonicContact OE1-NE 3.55Å; E41-R44 PolarHBondContact OE1-NE 2.98Å; E41-R44 VanDerWaalsContact OE1-NE 3.12Å; E41-R44 IonicContact OE1-NH2 3.33Å; E41-R44 PolarHBondContact OE1-NH2 2.99Å; E41-R44 IonicContact OE2-CZ 2.68Å; E41-R44 IonicContact OE2-NE 3.96Å; E41-R44 PolarHBondContact OE2-NE 2.93Å; E41-R44 IonicContact OE2-NH1 3.9Å; E41-R44 IonicContact OE2-NH2 3.51Å; E41-R44 PolarHBondContact OE2-NH2 3.25Å
42L96.3Very high97.8Very high103 Ų10373.4 Ų73.454%0.53936%0.361SS..G310 helixtrans-55.2-32.9178.7-176.965000113H21 R40 P45H21-L42 HydrophobicContact CB-CD2 4.11Å; R40-L42 PolarHBondContact O-N 3.13Å; L42-P45 WeakPolarHBondContact O-CD 3.38Å
43G97.8Very high97.9Very high0 Ų072.7 Ų72.70%036%0.355CS..G310 helixtrans-90.6-1.6-177.100000115.6Y26 R40 E41 D46 A47Y26-G43 WeakPolarHBondContact O-CA 3.47Å; R40-G43 PolarHBondContact O-N 2.96Å; E41-G43 PolarHBondContact O-N 3.43Å; E41-G43 VanDerWaalsContact O-N 3.14Å; G43-D46 PolarHBondContact O-N 2.88Å; G43-A47 WeakPolarHBondContact O-CB 3.29Å; G43-A47 PolarHBondContact O-N 3.46Å
44R98.2Very high97.8Very high127 Ų12775.5 Ų75.548%0.47936%0.361SS..Hα-helixtrans-56-52.7174.8-70.1-173.6-171.2-1688.4113.1A38 E41 D46 A47 E48A38-R44 HydrophobicContact CB-CB 4.4Å; A38-R44 HydrophobicContact CB-CG 3.89Å; E41-R44 VanDerWaalsContact CD-CZ 3.43Å; E41-R44 VanDerWaalsContact CD-NE 3.3Å; E41-R44 WeakPolarHBondContact O-CB 3.31Å; E41-R44 PolarHBondContact O-N 2.87Å; E41-R44 VanDerWaalsContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.16Å; E41-R44 VanDerWaalsContact OE1-CZ 3.24Å; E41-R44 IonicContact OE1-NE 3.55Å; E41-R44 PolarHBondContact OE1-NE 2.98Å; E41-R44 VanDerWaalsContact OE1-NE 3.12Å; E41-R44 IonicContact OE1-NH2 3.33Å; E41-R44 PolarHBondContact OE1-NH2 2.99Å; E41-R44 IonicContact OE2-CZ 2.68Å; E41-R44 IonicContact OE2-NE 3.96Å; E41-R44 PolarHBondContact OE2-NE 2.93Å; E41-R44 IonicContact OE2-NH1 3.9Å; E41-R44 IonicContact OE2-NH2 3.51Å; E41-R44 PolarHBondContact OE2-NH2 3.25Å; R44-D46 VanDerWaalsContact C-N 3.27Å; R44-D46 PolarHBondContact O-N 3.44Å; R44-A47 PolarHBondContact O-N 3.07Å; R44-E48 WeakPolarHBondContact O-CG 3.31Å; R44-E48 PolarHBondContact O-N 3.07Å
45P98.2Very high97.8Very high79 Ų7981.7 Ų81.751%0.51339%0.392SS..Hα-helixtrans-59.6-40-17922.7-34.5000112.1L42 Y49L42-P45 WeakPolarHBondContact O-CD 3.38Å; P45-Y49 VanDerWaalsContact O-CB 3.26Å; P45-Y49 WeakPolarHBondContact O-CB 3.36Å; P45-Y49 PolarHBondContact O-N 3.45Å
46D98.1Very high97.8Very high52 Ų5280.5 Ų80.528%0.27839%0.387SS..Hα-helixtrans-67.3-45.7178.8-66.7-34.4000112.1Y26 G43 R44 E48 Y49 W50Y26-D46 HydrophobicContact CE2-CB 4.39Å; Y26-D46 WeakPolarHBondContact CE2-OD2 3.18Å; G43-D46 PolarHBondContact O-N 2.88Å; R44-D46 VanDerWaalsContact C-N 3.27Å; R44-D46 PolarHBondContact O-N 3.44Å; D46-E48 PolarHBondContact O-N 3Å; D46-Y49 PolarHBondContact O-N 3.06Å; D46-W50 HydrophobicContact CB-CD2 4.21Å; D46-W50 HydrophobicContact CB-CE3 4.05Å; D46-W50 HydrophobicContact CB-CH2 3.73Å; D46-W50 HydrophobicContact CB-CZ2 3.87Å; D46-W50 HydrophobicContact CB-CZ3 3.83Å; D46-W50 WeakPolarHBondContact O-CB 3.26Å; D46-W50 VanDerWaalsContact O-CD2 3.23Å; D46-W50 PolarHBondContact O-N 3.49Å
47A98.3Very high97.8Very high6 Ų680.5 Ų80.55%0.0539%0.387CS..Hα-helixtrans-62.1-43.6178.500000111.8A38 G43 R44 N51A38-A47 HydrophobicContact CB-CB 4.17Å; G43-A47 WeakPolarHBondContact O-CB 3.29Å; G43-A47 PolarHBondContact O-N 3.46Å; R44-A47 PolarHBondContact O-N 3.07Å; A47-N51 WeakPolarHBondContact O-CB 3.03Å; A47-N51 PolarHBondContact O-N 3.02Å; A47-N51 PolarHBondContact O-ND2 3.11Å; A47-N51 VanDerWaalsContact O-ND2 3.09Å
48E98Very high97.7Very high138 Ų13879.6 Ų79.665%0.64539%0.389SS*.Hα-helixtrans-62.4-47.6176-72.8173.8-170.600111.5R44 D46 N51 S52R44-E48 WeakPolarHBondContact O-CG 3.31Å; R44-E48 PolarHBondContact O-N 3.07Å; D46-E48 PolarHBondContact O-N 3Å; E48-N51 PolarHBondContact O-N 3.26Å; E48-S52 PolarHBondContact O-N 3.31Å
49Y98.2Very high97.7Very high141 Ų14183.3 Ų83.355%0.55340%0.4SS*.Hα-helixtrans-63.4-47.6179.4178-115.3000112.2P45 D46 N51 S52 Q53P45-Y49 VanDerWaalsContact O-CB 3.26Å; P45-Y49 WeakPolarHBondContact O-CB 3.36Å; P45-Y49 PolarHBondContact O-N 3.45Å; D46-Y49 PolarHBondContact O-N 3.06Å; Y49-N51 PolarHBondContact O-N 3.36Å; Y49-S52 WeakPolarHBondContact O-CB 3.48Å; Y49-S52 PolarHBondContact O-N 3.05Å; Y49-S52 PolarHBondContact O-OG 2.67Å; Y49-Q53 PolarHBondContact OH-NE2 2.88Å
50W98.5Very high97.7Very high40 Ų4082.1 Ų82.115%0.15239%0.39CS..Hα-helixtrans-66.1-37178.7-62.4-29.1000112.4H19 Y26 A27 Y36 D46 S52 Q53 L56H19-W50 HydrophobicContact CB-CH2 4.41Å; H19-W50 AromaticContact CD2-CH2 3.88Å; H19-W50 AromaticContact CD2-CZ3 3.74Å; H19-W50 AromaticContact CE1-CH2 3.74Å; H19-W50 AromaticContact CG-CH2 3.74Å; H19-W50 AromaticContact ND1-CH2 3.65Å; H19-W50 AromaticContact NE2-CH2 3.91Å; H19-W50 AromaticContact NE2-CZ3 3.87Å; Y26-W50 HydrophobicContact CE2-CH2 4.18Å; A27-W50 HydrophobicContact CB-CZ3 3.85Å; Y36-W50 HydrophobicContact CD1-CD2 4.27Å; Y36-W50 AromaticContact CD1-CE3 3.31Å; Y36-W50 HydrophobicContact CD1-CE3 3.31Å; Y36-W50 AromaticContact CD1-CZ3 3.81Å; Y36-W50 HydrophobicContact CD1-CZ3 3.81Å; Y36-W50 HydrophobicContact CD2-CB 3.59Å; Y36-W50 HydrophobicContact CD2-CE3 4.37Å; Y36-W50 HydrophobicContact CD2-CG 4.48Å; Y36-W50 HydrophobicContact CE1-CD2 4.3Å; Y36-W50 AromaticContact CE1-CE3 3.59Å; Y36-W50 HydrophobicContact CE1-CE3 3.59Å; Y36-W50 AromaticContact CE1-CZ3 3.99Å; Y36-W50 HydrophobicContact CE1-CZ3 3.99Å; Y36-W50 HydrophobicContact CE2-CB 3.88Å; Y36-W50 HydrophobicContact CG-CB 3.99Å; Y36-W50 HydrophobicContact CG-CD2 4.48Å; Y36-W50 AromaticContact CG-CE3 3.74Å; Y36-W50 HydrophobicContact CG-CE3 3.74Å; D46-W50 HydrophobicContact CB-CD2 4.21Å; D46-W50 HydrophobicContact CB-CE3 4.05Å; D46-W50 HydrophobicContact CB-CH2 3.73Å; D46-W50 HydrophobicContact CB-CZ2 3.87Å; D46-W50 HydrophobicContact CB-CZ3 3.83Å; D46-W50 WeakPolarHBondContact O-CB 3.26Å; D46-W50 VanDerWaalsContact O-CD2 3.23Å; D46-W50 PolarHBondContact O-N 3.49Å; W50-S52 VanDerWaalsContact C-N 3.25Å; W50-S52 PolarHBondContact O-N 3.06Å; W50-Q53 PolarHBondContact O-N 3.37Å; W50-Q53 VanDerWaalsContact O-N 3.17Å; W50-L56 HydrophobicContact CB-CD2 3.89Å; W50-L56 HydrophobicContact CG-CD2 4.09Å
51N98.5Very high97.7Very high32 Ų3281.1 Ų81.117%0.17139%0.387CS..Hα-helixtrans-70-22.6176.2-71.7-21.4000113.5Y36 A47 E48 Y49 Q53 L57Y36-N51 WeakPolarHBondContact CB-OD1 3.37Å; Y36-N51 PolarHBondContact N-OD1 3.41Å; Y36-N51 PolarHBondContact O-ND2 3.38Å; A47-N51 WeakPolarHBondContact O-CB 3.03Å; A47-N51 PolarHBondContact O-N 3.02Å; A47-N51 PolarHBondContact O-ND2 3.11Å; A47-N51 VanDerWaalsContact O-ND2 3.09Å; E48-N51 PolarHBondContact O-N 3.26Å; Y49-N51 PolarHBondContact O-N 3.36Å; N51-Q53 VanDerWaalsContact C-N 3.27Å; N51-L57 HydrophobicContact CB-CD1 4.42Å; N51-L57 WeakPolarHBondContact O-CD1 3.41Å
52S98.1Very high97.8Very high79 Ų7976.2 Ų76.255%0.55237%0.369SS*.Hα-helixtrans-71-23.2173.181.20000112.7E48 Y49 W50 K54E48-S52 PolarHBondContact O-N 3.31Å; Y49-S52 WeakPolarHBondContact O-CB 3.48Å; Y49-S52 PolarHBondContact O-N 3.05Å; Y49-S52 PolarHBondContact O-OG 2.67Å; W50-S52 VanDerWaalsContact C-N 3.25Å; W50-S52 PolarHBondContact O-N 3.06Å; S52-K54 PolarHBondContact O-N 3.07Å
53Q98.3Very high97.9Very high69 Ų6973 Ų7332%0.32235%0.351SS..  trans-89.6102.1-179.5-64.6-179.656.500110.8Y49 W50 N51 L56 L57Y49-Q53 PolarHBondContact OH-NE2 2.88Å; W50-Q53 PolarHBondContact O-N 3.37Å; W50-Q53 VanDerWaalsContact O-N 3.17Å; N51-Q53 VanDerWaalsContact C-N 3.27Å; Q53-L56 HydrophobicContact CB-CB 3.83Å; Q53-L56 HydrophobicContact CB-CD2 4.42Å; Q53-L56 PolarHBondContact O-N 3.09Å; Q53-L57 PolarHBondContact O-N 3.02Å; Q53-L57 VanDerWaalsContact O-N 3.13Å
54K97.1Very high98Very high136 Ų13674 Ų7459%0.59136%0.357SS*.Hα-helixtrans-66-43.7-174.9-61.6-53.5-179-165.50113.2S52 L56 L57 E58S52-K54 PolarHBondContact O-N 3.07Å; K54-L56 VanDerWaalsContact C-N 3.27Å; K54-L56 PolarHBondContact O-N 3.42Å; K54-L57 PolarHBondContact O-N 3.17Å; K54-L57 VanDerWaalsContact O-N 3.16Å; K54-E58 PolarHBondContact O-N 3.38Å
55D97.8Very high98Very high140 Ų14072 Ų7275%0.74936%0.356SS*.Hα-helixtrans-60-40.2178.8-56-16.4000111.5Q59D55-Q59 VanDerWaalsContact O-CB 3.31Å; D55-Q59 WeakPolarHBondContact O-CB 3.37Å; D55-Q59 PolarHBondContact O-N 2.76Å
56L97.6Very high97.9Very high33 Ų3374 Ų7417%0.17336%0.362CS..Hα-helixtrans-63.2-48.9175.6179.164.7000111.1Y36 W50 Q53 K54 E58 Q59 K60Y36-L56 HydrophobicContact CE2-CD2 4.29Å; Y36-L56 HydrophobicContact CE2-CG 4.44Å; W50-L56 HydrophobicContact CB-CD2 3.89Å; W50-L56 HydrophobicContact CG-CD2 4.09Å; Q53-L56 HydrophobicContact CB-CB 3.83Å; Q53-L56 HydrophobicContact CB-CD2 4.42Å; Q53-L56 PolarHBondContact O-N 3.09Å; K54-L56 VanDerWaalsContact C-N 3.27Å; K54-L56 PolarHBondContact O-N 3.42Å; L56-E58 PolarHBondContact O-N 2.9Å; L56-Q59 PolarHBondContact O-N 2.63Å; L56-K60 HydrophobicContact CD1-CG 4.17Å; L56-K60 HydrophobicContact CG-CG 4.42Å; L56-K60 WeakPolarHBondContact O-CB 3.01Å; L56-K60 WeakPolarHBondContact O-CG 3.42Å; L56-K60 PolarHBondContact O-N 3.32Å
57L97.4Very high97.9Very high5 Ų576.1 Ų76.13%0.02637%0.367CS..Hα-helixtrans-60.5-43.6179-79.6-178.3000112.5F29 E35 Y36 N51 Q53 K54 K60 R61F29-L57 HydrophobicContact CD2-CD2 4.38Å; F29-L57 HydrophobicContact CE2-CD2 4.13Å; E35-L57 HydrophobicContact CB-CD2 4.2Å; Y36-L57 HydrophobicContact CD2-CD2 3.97Å; Y36-L57 HydrophobicContact CE2-CD2 4.35Å; N51-L57 HydrophobicContact CB-CD1 4.42Å; N51-L57 WeakPolarHBondContact O-CD1 3.41Å; Q53-L57 PolarHBondContact O-N 3.02Å; Q53-L57 VanDerWaalsContact O-N 3.13Å; K54-L57 PolarHBondContact O-N 3.17Å; K54-L57 VanDerWaalsContact O-N 3.16Å; L57-K60 PolarHBondContact O-N 3.27Å; L57-R61 VanDerWaalsContact O-CG 3.24Å; L57-R61 WeakPolarHBondContact O-CG 3.45Å; L57-R61 PolarHBondContact O-N 2.91Å
58E97.4Very high97.9Very high127 Ų12775.9 Ų75.959%0.59337%0.365SS*.Hα-helixtrans-63.8-44.2176.7-71.8-175.1176.900111.5K54 L56 K60 R61 G62K54-E58 PolarHBondContact O-N 3.38Å; L56-E58 PolarHBondContact O-N 2.9Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 2.91Å; E58-R61 PolarHBondContact O-N 2.79Å; E58-G62 PolarHBondContact O-N 2.84Å
59Q97.6Very high97.9Very high117 Ų11772.6 Ų72.655%0.54735%0.347SS..Hα-helixtrans-58.2-41.4174.6-172.5-171.119.800111.9D55 L56 G62 Q63D55-Q59 VanDerWaalsContact O-CB 3.31Å; D55-Q59 WeakPolarHBondContact O-CB 3.37Å; D55-Q59 PolarHBondContact O-N 2.76Å; L56-Q59 PolarHBondContact O-N 2.63Å; Q59-G62 PolarHBondContact O-N 3.05Å; Q59-Q63 WeakPolarHBondContact O-CG 3.48Å; Q59-Q63 PolarHBondContact O-N 2.82Å; Q59-Q63 PolarHBondContact O-NE2 2.92Å
60K97.8Very high97.9Very high30 Ų3071.3 Ų71.313%0.1335%0.346CS..Hα-helixtrans-70.9-39.1-179.4-66.4-70.7172.31710112.4F15 E17 F29 Y36 L56 L57 E58 G62 Q63F15-K60 HydrophobicContact CE1-CD 4.45Å; E17-K60 IonicContact OE1-NZ 3.94Å; E17-K60 PolarHBondContact OE1-NZ 3.41Å; E17-K60 VanDerWaalsContact OE2-CD 3.32Å; E17-K60 WeakPolarHBondContact OE2-CD 3.49Å; E17-K60 VanDerWaalsContact OE2-CE 3.25Å; E17-K60 WeakPolarHBondContact OE2-CE 3.49Å; E17-K60 IonicContact OE2-NZ 2.77Å; E17-K60 PolarHBondContact OE2-NZ 3.4Å; F29-K60 HydrophobicContact CD1-CB 4.09Å; F29-K60 HydrophobicContact CD2-CB 3.92Å; F29-K60 HydrophobicContact CE1-CB 3.85Å; F29-K60 HydrophobicContact CE2-CB 3.67Å; F29-K60 HydrophobicContact CG-CB 4.13Å; F29-K60 HydrophobicContact CZ-CB 3.64Å; Y36-K60 HydrophobicContact CE2-CG 4.2Å; Y36-K60 VanDerWaalsContact OH-CD 3.3Å; Y36-K60 WeakPolarHBondContact OH-CD 3.42Å; Y36-K60 WeakPolarHBondContact OH-CE 3.36Å; Y36-K60 WeakPolarHBondContact OH-CG 3.42Å; L56-K60 HydrophobicContact CD1-CG 4.17Å; L56-K60 HydrophobicContact CG-CG 4.42Å; L56-K60 WeakPolarHBondContact O-CB 3.01Å; L56-K60 WeakPolarHBondContact O-CG 3.42Å; L56-K60 PolarHBondContact O-N 3.32Å; L57-K60 PolarHBondContact O-N 3.27Å; E58-K60 VanDerWaalsContact C-N 3.28Å; E58-K60 PolarHBondContact O-N 2.91Å; K60-G62 VanDerWaalsContact C-N 3.27Å; K60-G62 PolarHBondContact O-N 3.47Å; K60-Q63 HydrophobicContact CD-CG 4.49Å; K60-Q63 WeakPolarHBondContact O-CB 2.91Å; K60-Q63 WeakPolarHBondContact O-CG 3.14Å; K60-Q63 PolarHBondContact O-N 2.96Å; K60-Q63 VanDerWaalsContact O-N 3.15Å
61R97.8Very high97.8Very high127 Ų12772.9 Ų72.948%0.47936%0.357SS..Hα-helixtrans-59.7-39.9171-70.4165.5-175.6174.5-1.3111.3F29 G34 L57 E58 Q63F29-R61 HydrophobicContact CE2-CG 4.45Å; F29-R61 HydrophobicContact CZ-CG 3.91Å; G34-R61 VanDerWaalsContact O-CZ 3.3Å; G34-R61 PolarHBondContact O-NE 2.82Å; G34-R61 PolarHBondContact O-NH2 3.04Å; L57-R61 VanDerWaalsContact O-CG 3.24Å; L57-R61 WeakPolarHBondContact O-CG 3.45Å; L57-R61 PolarHBondContact O-N 2.91Å; E58-R61 PolarHBondContact O-N 2.79Å; R61-Q63 PolarHBondContact O-N 2.83Å
62G97.9Very high97.8Very high20 Ų2072.9 Ų72.921%0.20636%0.355CS..THydrogen-bonded Turntrans-69.5-10.7176.600000115.7E58 Q59 K60 V64 D65 N66E58-G62 PolarHBondContact O-N 2.84Å; Q59-G62 PolarHBondContact O-N 3.05Å; K60-G62 VanDerWaalsContact C-N 3.27Å; K60-G62 PolarHBondContact O-N 3.47Å; G62-V64 PolarHBondContact O-N 2.83Å; G62-D65 PolarHBondContact O-N 3.46Å; G62-N66 WeakPolarHBondContact O-CB 3.32Å; G62-N66 PolarHBondContact O-N 2.98Å; G62-N66 PolarHBondContact O-ND2 3.47Å
63Q98.2Very high97.8Very high34 Ų3471.5 Ų71.516%0.15935%0.352CS..Hα-helixtrans-67.1-21.5-179.4-65.4-63-55.200113.3F15 Q59 K60 R61 D65 Y67 C68F15-Q63 HydrophobicContact CB-CB 4.49Å; F15-Q63 HydrophobicContact CD1-CB 3.58Å; F15-Q63 HydrophobicContact CD1-CG 4.22Å; F15-Q63 HydrophobicContact CD2-CB 3.94Å; F15-Q63 HydrophobicContact CE1-CB 3.63Å; F15-Q63 HydrophobicContact CE1-CG 3.77Å; F15-Q63 HydrophobicContact CE2-CB 3.97Å; F15-Q63 HydrophobicContact CE2-CG 4.42Å; F15-Q63 HydrophobicContact CG-CB 3.73Å; F15-Q63 HydrophobicContact CZ-CB 3.82Å; F15-Q63 HydrophobicContact CZ-CG 3.88Å; Q59-Q63 WeakPolarHBondContact O-CG 3.48Å; Q59-Q63 PolarHBondContact O-N 2.82Å; Q59-Q63 PolarHBondContact O-NE2 2.92Å; K60-Q63 HydrophobicContact CD-CG 4.49Å; K60-Q63 WeakPolarHBondContact O-CB 2.91Å; K60-Q63 WeakPolarHBondContact O-CG 3.14Å; K60-Q63 PolarHBondContact O-N 2.96Å; K60-Q63 VanDerWaalsContact O-N 3.15Å; R61-Q63 PolarHBondContact O-N 2.83Å; Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.35Å; Q63-Y67 WeakPolarHBondContact O-CA 3.38Å; Q63-Y67 WeakPolarHBondContact O-CB 3.27Å; Q63-Y67 PolarHBondContact O-N 2.79Å; Q63-Y67 VanDerWaalsContact O-N 3.09Å; Q63-C68 PolarHBondContact O-N 3.13Å
64V98.4Very high97.7Very high21 Ų2172.3 Ų72.313%0.12736%0.362CS..Iπ-helixtrans-55.9-49.4174.1176.40000110V13 F15 G62 C68 R69V13-V64 HydrophobicContact CB-CG1 3.97Å; V13-V64 HydrophobicContact CG1-CG1 4.03Å; F15-V64 HydrophobicContact CB-CG2 3.93Å; G62-V64 PolarHBondContact O-N 2.83Å; V64-C68 VanDerWaalsContact O-CB 3.29Å; V64-C68 WeakPolarHBondContact O-CB 3.27Å; V64-C68 PolarHBondContact O-N 3.34Å; V64-R69 WeakPolarHBondContact O-CG 3.41Å; V64-R69 PolarHBondContact O-N 3.02Å
65D98.1Very high97.7Very high85 Ų8566.2 Ų66.246%0.45534%0.338SS..Iπ-helixtrans-88.6-49.7-177.5-59.4-44.2000111.7G62 Q63 Y67 R69 H70G62-D65 PolarHBondContact O-N 3.46Å; Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.35Å; D65-Y67 VanDerWaalsContact C-N 3.3Å; D65-Y67 PolarHBondContact O-N 2.83Å; D65-R69 WeakPolarHBondContact OD1-CD 3.47Å; D65-R69 IonicContact OD1-CZ 2.74Å; D65-R69 IonicContact OD1-NE 2.68Å; D65-R69 PolarHBondContact OD1-NE 2.75Å; D65-H70 PolarHBondContact O-N 2.83Å; D65-H70 VanDerWaalsContact O-N 3.1Å
66N97Very high97.6Very high121 Ų12162.7 Ų62.765%0.64732%0.317SS*.Iπ-helixtrans-71.4-24.6-171.2-65.1-20.7000113.6G62 H70G62-N66 WeakPolarHBondContact O-CB 3.32Å; G62-N66 PolarHBondContact O-N 2.98Å; G62-N66 PolarHBondContact O-ND2 3.47Å; N66-H70 VanDerWaalsContact O-CB 3.28Å; N66-H70 WeakPolarHBondContact O-CB 3.36Å
67Y97.5Very high97.6Very high98 Ų9864.8 Ų64.838%0.38433%0.334SS..Iπ-helixtrans-115.7-58.2-179.9-179.3-98.4000111.4F15 Q63 D65 N71F15-Y67 HydrophobicContact CD2-CD1 4.4Å; F15-Y67 HydrophobicContact CE2-CD1 4.13Å; F15-Y67 HydrophobicContact CE2-CE1 4.49Å; Q63-Y67 WeakPolarHBondContact O-CA 3.38Å; Q63-Y67 WeakPolarHBondContact O-CB 3.27Å; Q63-Y67 PolarHBondContact O-N 2.79Å; Q63-Y67 VanDerWaalsContact O-N 3.09Å; D65-Y67 VanDerWaalsContact C-N 3.3Å; D65-Y67 PolarHBondContact O-N 2.83Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.38Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.35Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.46Å; Y67-N71 VanDerWaalsContact O-CB 3.24Å; Y67-N71 WeakPolarHBondContact O-CB 3.39Å; Y67-N71 PolarHBondContact O-N 3.1Å; Y67-N71 PolarHBondContact O-ND2 2.02Å
68C98.3Very high97.4Very high0 Ų070.2 Ų70.20%036%0.358CS..Iπ-helixtrans-68.2-56.2-173.9-620000112.4C4 F6 V13 Q63 V64 N71 Y72C4-C68 HydrophobicContact CB-CB 3.63Å; C4-C68 WeakPolarHBondContact CB-SG 3.24Å; C4-C68 WeakPolarHBondContact SG-CA 3.46Å; C4-C68 WeakPolarHBondContact SG-CB 3.32Å; C4-C68 CovalentContact SG-SG 2.03Å; C4-C68 PolarHBondContact SG-SG 2.89Å; F6-C68 HydrophobicContact CE1-CB 4.16Å; F6-C68 HydrophobicContact CZ-CB 4Å; F6-C68 WeakPolarHBondContact CZ-O 3.17Å; V13-C68 HydrophobicContact CG1-CB 3.49Å; V13-C68 VanDerWaalsContact CG1-CB 3.49Å; Q63-C68 PolarHBondContact O-N 3.13Å; V64-C68 VanDerWaalsContact O-CB 3.29Å; V64-C68 WeakPolarHBondContact O-CB 3.27Å; V64-C68 PolarHBondContact O-N 3.34Å; C68-N71 PolarHBondContact O-N 3Å; C68-Y72 VanDerWaalsContact O-CB 3.32Å; C68-Y72 WeakPolarHBondContact O-CB 3.44Å; C68-Y72 PolarHBondContact O-N 2.77Å
69R98.4Very high97.4Very high70 Ų7065.8 Ų65.826%0.26434%0.34SS..Iπ-helixtrans-65.3-41.9179.8-65.4-174.5-166.4-69.49.8112.2T10 E11 V13 V64 D65 Y72 G73T10-R69 VanDerWaalsContact C-NH1 3.3Å; T10-R69 PolarHBondContact O-NH1 3.01Å; E11-R69 PolarHBondContact O-NH2 3.46Å; V13-R69 HydrophobicContact CG2-CG 4.29Å; V64-R69 WeakPolarHBondContact O-CG 3.41Å; V64-R69 PolarHBondContact O-N 3.02Å; D65-R69 WeakPolarHBondContact OD1-CD 3.47Å; D65-R69 IonicContact OD1-CZ 2.74Å; D65-R69 IonicContact OD1-NE 2.68Å; D65-R69 PolarHBondContact OD1-NE 2.75Å; R69-Y72 PolarHBondContact O-N 2.96Å; R69-G73 PolarHBondContact O-N 2.9Å
70H97.6Very high97.3Very high114 Ų11463.1 Ų63.153%0.52833%0.331SS..Hα-helixtrans-55.1-55.1175.8-179.973.7000111.6D65 N66 Y72 G73 V74D65-H70 PolarHBondContact O-N 2.83Å; D65-H70 VanDerWaalsContact O-N 3.1Å; N66-H70 VanDerWaalsContact O-CB 3.28Å; N66-H70 WeakPolarHBondContact O-CB 3.36Å; H70-Y72 VanDerWaalsContact C-N 3.34Å; H70-Y72 PolarHBondContact O-N 2.72Å; H70-G73 PolarHBondContact O-N 3.42Å; H70-V74 WeakPolarHBondContact O-CG2 3.22Å; H70-V74 PolarHBondContact O-N 3.17Å
71N98Very high97.2Very high73 Ų7367 Ų6739%0.3935%0.35SS..Hα-helixtrans-68.1-33.2-179.3-73.7-59.5000112.9Y67 C68 V74 G75Y67-N71 WeakPolarHBondContact CD2-ND2 3.38Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.35Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.46Å; Y67-N71 VanDerWaalsContact O-CB 3.24Å; Y67-N71 WeakPolarHBondContact O-CB 3.39Å; Y67-N71 PolarHBondContact O-N 3.1Å; Y67-N71 PolarHBondContact O-ND2 2.02Å; C68-N71 PolarHBondContact O-N 3Å; N71-V74 PolarHBondContact O-N 2.98Å; N71-G75 PolarHBondContact O-N 2.84Å
72Y97.9Very high97.2Very high32 Ų3265.3 Ų65.313%0.12534%0.344CS..Hα-helixtrans-58.5-50.7171.5-174.7-77.4000110.3F6 T10 C68 R69 H70 V74 G75 E76 V80F6-Y72 HydrophobicContact CB-CD2 4.5Å; F6-Y72 HydrophobicContact CB-CE2 4.35Å; F6-Y72 AromaticContact CD1-CD2 3.44Å; F6-Y72 HydrophobicContact CD1-CD2 3.44Å; F6-Y72 VanDerWaalsContact CD1-CD2 3.44Å; F6-Y72 HydrophobicContact CD1-CE2 4.03Å; F6-Y72 HydrophobicContact CD1-CG 4.1Å; F6-Y72 HydrophobicContact CD2-CD2 4.04Å; F6-Y72 AromaticContact CE1-CD2 3.52Å; F6-Y72 HydrophobicContact CE1-CD2 3.52Å; F6-Y72 AromaticContact CE1-CG 3.85Å; F6-Y72 HydrophobicContact CE1-CG 3.85Å; F6-Y72 HydrophobicContact CE2-CD2 4.08Å; F6-Y72 AromaticContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CD2 3.73Å; F6-Y72 HydrophobicContact CG-CE2 4.07Å; F6-Y72 AromaticContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CD2 3.84Å; F6-Y72 HydrophobicContact CZ-CG 4.28Å; T10-Y72 HydrophobicContact CG2-CD1 3.31Å; T10-Y72 HydrophobicContact CG2-CD2 4.13Å; T10-Y72 HydrophobicContact CG2-CE1 3.66Å; T10-Y72 HydrophobicContact CG2-CE2 4.4Å; T10-Y72 HydrophobicContact CG2-CG 3.59Å; C68-Y72 VanDerWaalsContact O-CB 3.32Å; C68-Y72 WeakPolarHBondContact O-CB 3.44Å; C68-Y72 PolarHBondContact O-N 2.77Å; R69-Y72 PolarHBondContact O-N 2.96Å; H70-Y72 VanDerWaalsContact C-N 3.34Å; H70-Y72 PolarHBondContact O-N 2.72Å; Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 2.91Å; Y72-G75 CarbonylContact O-C 3.56Å; Y72-G75 PolarHBondContact O-N 2.79Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; Y72-E76 HydrophobicContact CD1-CB 4.24Å; Y72-E76 HydrophobicContact CE1-CB 4.08Å; Y72-E76 HydrophobicContact CE1-CG 3.93Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.41Å; Y72-E76 WeakPolarHBondContact O-CA 3.41Å; Y72-E76 WeakPolarHBondContact O-CB 3.44Å; Y72-E76 PolarHBondContact O-N 2.85Å; Y72-V80 HydrophobicContact CE2-CG2 3.8Å
73G97Very high97.2Very high49 Ų4969.7 Ų69.751%0.50535%0.354SS..Hα-helixtrans-61.7-38179.500000113.4R69 H70R69-G73 PolarHBondContact O-N 2.9Å; H70-G73 PolarHBondContact O-N 3.42Å
74V97.2Very high97.2Very high87 Ų8770 Ų7053%0.52736%0.358SS..Hα-helixtrans-66.5-41.3174.2173.90000111.3H70 N71 Y72 F78H70-V74 WeakPolarHBondContact O-CG2 3.22Å; H70-V74 PolarHBondContact O-N 3.17Å; N71-V74 PolarHBondContact O-N 2.98Å; Y72-V74 VanDerWaalsContact C-N 3.32Å; Y72-V74 PolarHBondContact O-N 2.91Å; V74-F78 VanDerWaalsContact O-CE1 3.26Å; V74-F78 WeakPolarHBondContact O-CE1 3.38Å
75G96.6Very high97.1Very high8 Ų874.4 Ų74.48%0.08238%0.377CS..Hα-helixtrans-88.7-17-172.900000116.2N71 Y72 S77 F78 T79N71-G75 PolarHBondContact O-N 2.84Å; Y72-G75 CarbonylContact O-C 3.56Å; Y72-G75 PolarHBondContact O-N 2.79Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; G75-S77 VanDerWaalsContact C-N 3.32Å; G75-S77 PolarHBondContact O-N 3.17Å; G75-F78 PolarHBondContact O-N 2.86Å; G75-T79 WeakPolarHBondContact O-CB 3.42Å; G75-T79 PolarHBondContact O-N 2.87Å; G75-T79 PolarHBondContact O-OG1 3.17Å
76E96.6Very high97.2Very high66 Ų6670.9 Ų70.931%0.30836%0.358SS..Hα-helixtrans-56.2-45.2-165178.2171.5-144.500112.4Y72 F78 T79 V80 Q81Y72-E76 HydrophobicContact CD1-CB 4.24Å; Y72-E76 HydrophobicContact CE1-CB 4.08Å; Y72-E76 HydrophobicContact CE1-CG 3.93Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.41Å; Y72-E76 WeakPolarHBondContact O-CA 3.41Å; Y72-E76 WeakPolarHBondContact O-CB 3.44Å; Y72-E76 PolarHBondContact O-N 2.85Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 2.86Å; E76-T79 PolarHBondContact O-N 2.91Å; E76-V80 HydrophobicContact CG-CB 4.2Å; E76-V80 PolarHBondContact O-N 3.01Å; E76-Q81 HydrophobicContact CG-CG 4.03Å; E76-Q81 PolarHBondContact O-N 2.97Å
77S95.8Very high97.2Very high77 Ų7771.7 Ų71.754%0.53836%0.358SS..Hα-helixtrans-61.1-36-17660.60000113.1G75G75-S77 VanDerWaalsContact C-N 3.32Å; G75-S77 PolarHBondContact O-N 3.17Å
78F94.7Very high97.3Very high118 Ų11868.3 Ų68.352%0.51835%0.348SS..Hα-helixtrans-108.1-2.7-175.763.5-97000114.5V74 G75 E76 R82V74-F78 VanDerWaalsContact O-CE1 3.26Å; V74-F78 WeakPolarHBondContact O-CE1 3.38Å; G75-F78 PolarHBondContact O-N 2.86Å; E76-F78 VanDerWaalsContact C-N 3.3Å; E76-F78 PolarHBondContact O-N 2.86Å; F78-R82 WeakPolarHBondContact O-CB 3.41Å; F78-R82 WeakPolarHBondContact O-CD 3.37Å
79T96.3Very high97.2Very high35 Ų3571.9 Ų71.922%0.21537%0.37CS..Hα-helixtrans-116.7-58.4176.558.80000112.8G75 E76 Y112 W142G75-T79 WeakPolarHBondContact O-CB 3.42Å; G75-T79 PolarHBondContact O-N 2.87Å; G75-T79 PolarHBondContact O-OG1 3.17Å; E76-T79 PolarHBondContact O-N 2.91Å; T79-Y112 VanDerWaalsContact O-CE1 3.25Å; T79-Y112 WeakPolarHBondContact O-CE1 3.25Å; T79-Y112 PolarHBondContact O-OH 2.68Å; T79-W142 HydrophobicContact CG2-CH2 4.11Å; T79-W142 HydrophobicContact CG2-CZ3 4.02Å
80V96Very high97.1Very high61 Ų6169.4 Ų69.437%0.3736%0.363SS..THydrogen-bonded Turntrans-80.8-45.3-174.6179.60000111.1Y72 E76 R82 R83Y72-V80 HydrophobicContact CE2-CG2 3.8Å; E76-V80 HydrophobicContact CG-CB 4.2Å; E76-V80 PolarHBondContact O-N 3.01Å; V80-R82 VanDerWaalsContact C-N 3.31Å; V80-R83 PolarHBondContact O-NH1 2.85Å
81Q96Very high96.7Very high111 Ų11168.7 Ų68.752%0.51936%0.356SS..SBendtrans-84.3-9-179.5-63.8179.21.600112.7E76 R83E76-Q81 HydrophobicContact CG-CG 4.03Å; E76-Q81 PolarHBondContact O-N 2.97Å; Q81-R83 PolarHBondContact O-N 3.37Å
82R97.3Very high96.3Very high92 Ų9268.4 Ų68.435%0.34736%0.358SS..  trans-56.6131.2177.4178.7-178.8176.685.3-1.3110.6F78 V80 V84 Y112F78-R82 WeakPolarHBondContact O-CB 3.41Å; F78-R82 WeakPolarHBondContact O-CD 3.37Å; V80-R82 VanDerWaalsContact C-N 3.31Å; R82-V84 HydrophobicContact CG-CG2 4.36Å; R82-Y112 HydrophobicContact CB-CD1 3.94Å; R82-Y112 HydrophobicContact CB-CE1 3.79Å; R82-Y112 HydrophobicContact CG-CD1 3.73Å; R82-Y112 HydrophobicContact CG-CE1 4.03Å; R82-Y112 HydrophobicContact CG-CG 4.46Å; R82-Y112 WeakPolarHBondContact O-CD1 3.49Å
83R97.9Very high95.7Very high112 Ų11268.2 Ų68.242%0.42336%0.363SS..  trans-132.6129.3174.7-63.9-61.7176.6-94.6-1.4109.2V80 Q81 Y112V80-R83 PolarHBondContact O-NH1 2.85Å; Q81-R83 PolarHBondContact O-N 3.37Å; R83-Y112 CarbonylContact C-O 3.5Å; R83-Y112 WeakPolarHBondContact CA-O 3.14Å
84V98.2Very high94.3Very high39 Ų3975.1 Ų75.124%0.23638%0.379CS..BIsolated β-bridgetrans-129.1130.5174.5-171.40000108.2R82 G110 F111 Y112 H166R82-V84 HydrophobicContact CG-CG2 4.36Å; V84-G110 WeakPolarHBondContact CG1-O 3.18Å; V84-F111 WeakPolarHBondContact O-CA 3.33Å; V84-Y112 PolarHBondContact N-O 2.95Å; V84-Y112 PolarHBondContact O-N 3.45Å; V84-H166 PolarHBondContact O-CE1 2.72Å
85H97.8Very high92.3Very high114 Ų11472.9 Ų72.953%0.52837%0.366SS..PPolyproline II helixtrans-73.5137.4-174.3-71.762.3000111.6S168 V169H85-S168 WeakPolarHBondContact CA-OG 3.4Å; H85-S168 PolarHBondContact CE1-O 2.03Å; H85-S168 PolarHBondContact NE2-O 2.8Å; H85-S168 VanDerWaalsContact NE2-O 3.11Å; H85-V169 WeakPolarHBondContact CD2-CG1 3.22Å
86P98.4Very high90.3Very high11 Ų1179.7 Ų79.77%0.07140%0.395CS..PPolyproline II helixtrans-69.9140.917326.3-31.3000111.5V88 V108 F111 V164 H166 L173P86-V88 HydrophobicContact CB-CG2 4.42Å; P86-V108 HydrophobicContact CB-CG1 3.54Å; P86-F111 HydrophobicContact CB-CB 3.75Å; P86-F111 HydrophobicContact CB-CD1 4.07Å; P86-F111 HydrophobicContact CB-CG 4.19Å; P86-F111 HydrophobicContact CG-CB 4.39Å; P86-V164 HydrophobicContact CG-CG1 4.16Å; P86-H166 HydrophobicContact CG-CB 4.22Å; P86-L173 HydrophobicContact CG-CD1 3.61Å
87Q98.1Very high88.2Confident138 Ų13883.1 Ų83.165%0.64542%0.424SS*.EExtended strand (participates in β ladder)trans-89.1125.7160.4-66.2-176.8-31.400108.3V108 S109Q87-V108 WeakPolarHBondContact O-CA 3.47Å; Q87-S109 PolarHBondContact N-O 3.45Å; Q87-S109 PolarHBondContact O-N 3.01Å
88V98.4Very high86Confident28 Ų2886.7 Ų86.717%0.1744%0.436CS..EExtended strand (participates in β ladder)trans-114.5128.7-176.9-172.80000108.8P86 S107 V108 V164 L173 V175P86-V88 HydrophobicContact CB-CG2 4.42Å; V88-S107 WeakPolarHBondContact CA-O 3.3Å; V88-V108 HydrophobicContact CG1-CG2 4.45Å; V88-V108 HydrophobicContact CG2-CG1 4.34Å; V88-V164 HydrophobicContact CG1-CG2 4.02Å; V88-V164 HydrophobicContact CG2-CB 4.2Å; V88-V164 HydrophobicContact CG2-CG2 3.75Å; V88-L173 HydrophobicContact CG2-CB 4.45Å; V88-L173 HydrophobicContact CG2-CD1 4.19Å; V88-V175 HydrophobicContact CB-CG2 3.77Å; V88-V175 HydrophobicContact CG1-CB 4.13Å; V88-V175 HydrophobicContact CG1-CG2 3.56Å
89T97Very high83.9Confident74 Ų7486.8 Ų86.845%0.45444%0.438SS..EExtended strand (participates in β ladder)trans-138.5132.3177.6-44.40000109.7Y91 S107T89-Y91 HydrophobicContact CG2-CD1 4.37Å; T89-S107 PolarHBondContact N-O 3.19Å; T89-S107 PolarHBondContact O-N 2.83Å
90V95.7Very high81.8Confident19 Ų1992.9 Ų92.912%0.11546%0.463CS..EExtended strand (participates in β ladder)trans-112.4127.9177.5177.50000109.9V105 C106 W120 C162 V175 W177V90-V105 VanDerWaalsContact CA-O 3.31Å; V90-V105 WeakPolarHBondContact CA-O 3.32Å; V90-C106 HydrophobicContact CG2-CB 4.31Å; V90-W120 HydrophobicContact CG1-CH2 3.66Å; V90-W120 HydrophobicContact CG1-CZ3 4.26Å; V90-W120 HydrophobicContact CG2-CH2 4.23Å; V90-C162 HydrophobicContact CG2-CB 3.61Å; V90-V175 HydrophobicContact CB-CG1 4Å; V90-V175 HydrophobicContact CG2-CB 3.92Å; V90-V175 HydrophobicContact CG2-CG1 3.68Å; V90-W177 HydrophobicContact CB-CB 4.23Å; V90-W177 HydrophobicContact CG1-CB 3.48Å; V90-W177 VanDerWaalsContact CG1-CB 3.48Å; V90-W177 HydrophobicContact CG1-CG 3.88Å
91Y90.8Very high79.8Confident98 Ų9894.4 Ų94.438%0.38447%0.466SS..EExtended strand (participates in β ladder)trans-150.4151.8178.258.7-89.7000112T89 V105T89-Y91 HydrophobicContact CG2-CD1 4.37Å; Y91-V105 HydrophobicContact CD2-CB 4.25Å; Y91-V105 HydrophobicContact CE1-CB 4.3Å; Y91-V105 HydrophobicContact CE1-CG1 4.23Å; Y91-V105 HydrophobicContact CE2-CB 3.85Å; Y91-V105 HydrophobicContact CE2-CG1 4.22Å; Y91-V105 HydrophobicContact CE2-CG2 4.09Å; Y91-V105 PolarHBondContact N-O 3.45Å; Y91-V105 PolarHBondContact O-N 2.87Å
92P89.6Confident78.7Confident67 Ų6792.6 Ų92.644%0.43546%0.46SS..EExtended strand (participates in β ladder)trans-76.1127.3170.831-32000110.1L103 L104 W177P92-L103 CarbonylContact C-O 3.56Å; P92-L103 WeakPolarHBondContact CA-O 3.1Å; P92-L104 HydrophobicContact CB-CD2 4.11Å; P92-W177 HydrophobicContact CB-CZ2 4.38Å; P92-W177 HydrophobicContact CG-CZ2 4.25Å
93A83.6Confident78.2Confident28 Ų2890.3 Ų90.323%0.23146%0.455CS..EExtended strand (participates in β ladder)trans-86.7122166.300000109.3T95 L103 V105A93-T95 PolarHBondContact O-N 3.47Å; A93-L103 HydrophobicContact CB-CB 4.1Å; A93-L103 PolarHBondContact N-O 3.02Å; A93-V105 HydrophobicContact CB-CG2 3.6Å
94K68.3Low77.9Confident195 Ų19585 Ų8585%0.84844%0.435SS*.  trans-76.6106.4169.9-67.4-174.6179.9-175.70108.2
95T55.7Low77.8Confident39 Ų3983.5 Ų83.524%0.23943%0.426CS..  trans-72.9161.6161.7460000108.9A93 H101 L103A93-T95 PolarHBondContact O-N 3.47Å; T95-H101 PolarHBondContact OG1-O 2.65Å; T95-L103 HydrophobicContact CG2-CD1 3.57Å; T95-L103 HydrophobicContact CG2-CG 4.39Å
96Q55.1Low77.8Confident151 Ų15178.1 Ų78.171%0.70640%0.401SS*.  trans-49.5152-176.5-73.7171.84.400112.1L98 Q99Q96-L98 PolarHBondContact O-N 2.95Å; Q96-Q99 PolarHBondContact O-N 3.48Å
97P52.4Low77.8Confident139 Ų13978.6 Ų78.690%0.90340%0.404SS*.THydrogen-bonded Turntrans-53.2-12-171.3-26.132.7000117.2
98L49.5Very low77.8Confident152 Ų15272 Ų7280%0.79637%0.373SS*.THydrogen-bonded Turntrans-98.9-12.3-175.7-75.7150.3000114.2Q96 H100Q96-L98 PolarHBondContact O-N 2.95Å; L98-H100 PolarHBondContact O-ND1 2.86Å
99Q49.9Very low77.8Confident119 Ų11972 Ų7256%0.55638%0.375SS*.  trans-93.5118.1177.7-78.4179.4-19.300110.1Q96 H101Q96-Q99 PolarHBondContact O-N 3.48Å; Q99-H101 PolarHBondContact O-N 2.76Å
100H51.6Low77.9Confident163 Ų16369.6 Ų69.676%0.75536%0.364SS*.  trans-7510-177.3-69.266.8000113.6L98 V153L98-H100 PolarHBondContact O-ND1 2.86Å; H100-V153 WeakPolarHBondContact O-CG2 3.3Å
101H54.3Low78Confident93 Ų9368.7 Ų68.743%0.43136%0.359SS..  trans-109.8118.2-175.7-58.3-77.1000109.4T95 Q99 E151T95-H101 PolarHBondContact OG1-O 2.65Å; Q99-H101 PolarHBondContact O-N 2.76Å; H101-E151 HydrophobicContact CB-CG 3.88Å; H101-E151 IonicContact CD2-OE1 3.49Å; H101-E151 PolarHBondContact CD2-OE1 3.26Å; H101-E151 IonicContact CE1-OE1 3.45Å; H101-E151 PolarHBondContact CE1-OE1 2.84Å; H101-E151 IonicContact CG-OE1 3.08Å; H101-E151 IonicContact ND1-OE1 3.06Å; H101-E151 PolarHBondContact ND1-OE1 2.99Å; H101-E151 IonicContact NE2-OE1 3.76Å
102N73.5Confident78.4Confident73 Ų7365.9 Ų65.939%0.3935%0.348SS..EExtended strand (participates in β ladder)trans-85.3121.9171.6-71.2-44.3000108T152N102-T152 CarbonylContact C-O 3.42Å; N102-T152 WeakPolarHBondContact CA-O 3.35Å; N102-T152 WeakPolarHBondContact CB-O 3.12Å; N102-T152 PolarHBondContact N-O 2.99Å; N102-T152 CarbonylContact O-C 3.49Å; N102-T152 PolarHBondContact O-N 2.88Å
103L86.9Confident78.8Confident45 Ų4564 Ų6424%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-88.2123.2174.5-78.5163.8000108.7P92 A93 T95 M149 E151P92-L103 CarbonylContact C-O 3.56Å; P92-L103 WeakPolarHBondContact CA-O 3.1Å; A93-L103 HydrophobicContact CB-CB 4.1Å; A93-L103 PolarHBondContact N-O 3.02Å; T95-L103 HydrophobicContact CG2-CD1 3.57Å; T95-L103 HydrophobicContact CG2-CG 4.39Å; L103-M149 HydrophobicContact CD2-CB 4.26Å; L103-E151 HydrophobicContact CD2-CB 4.19Å
104L92.3Very high79.4Confident1 Ų163.5 Ų63.51%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-90126.6163-73.6177.1000108.6P92 W120 M149 L150 T152 P154 Y160 W177P92-L104 HydrophobicContact CB-CD2 4.11Å; L104-W120 HydrophobicContact CB-CH2 3.9Å; L104-W120 HydrophobicContact CB-CZ2 4.15Å; L104-M149 CarbonylContact O-C 3.52Å; L104-M149 VanDerWaalsContact O-CA 3.29Å; L104-M149 WeakPolarHBondContact O-CA 3.26Å; L104-L150 HydrophobicContact CB-CB 4.41Å; L104-L150 PolarHBondContact N-O 3.44Å; L104-L150 PolarHBondContact O-N 2.63Å; L104-T152 HydrophobicContact CD1-CG2 3.89Å; L104-T152 HydrophobicContact CG-CG2 4.15Å; L104-P154 HydrophobicContact CD1-CG 4.28Å; L104-P154 HydrophobicContact CG-CG 4.43Å; L104-Y160 HydrophobicContact CD1-CD1 3.75Å; L104-Y160 HydrophobicContact CD1-CD2 3.86Å; L104-Y160 HydrophobicContact CD1-CE1 4.22Å; L104-Y160 HydrophobicContact CD1-CE2 4.33Å; L104-Y160 HydrophobicContact CD1-CG 3.55Å; L104-W177 HydrophobicContact CD1-CD2 4.38Å; L104-W177 HydrophobicContact CD1-CE3 3.62Å; L104-W177 HydrophobicContact CD1-CZ3 3.75Å; L104-W177 HydrophobicContact CD2-CD2 3.64Å; L104-W177 HydrophobicContact CD2-CE3 3.62Å; L104-W177 HydrophobicContact CD2-CG 4.36Å; L104-W177 HydrophobicContact CD2-CH2 3.83Å; L104-W177 HydrophobicContact CD2-CZ2 3.84Å; L104-W177 HydrophobicContact CD2-CZ3 3.72Å; L104-W177 HydrophobicContact CG-CE3 4.29Å; L104-W177 HydrophobicContact CG-CZ3 4.29Å
105V95.6Very high80.8Confident7 Ų758.3 Ų58.34%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-109.8123.4-177.9-174.40000108.7V90 Y91 A93 L147 M149V90-V105 VanDerWaalsContact CA-O 3.31Å; V90-V105 WeakPolarHBondContact CA-O 3.32Å; Y91-V105 HydrophobicContact CD2-CB 4.25Å; Y91-V105 HydrophobicContact CE1-CB 4.3Å; Y91-V105 HydrophobicContact CE1-CG1 4.23Å; Y91-V105 HydrophobicContact CE2-CB 3.85Å; Y91-V105 HydrophobicContact CE2-CG1 4.22Å; Y91-V105 HydrophobicContact CE2-CG2 4.09Å; Y91-V105 PolarHBondContact N-O 3.45Å; Y91-V105 PolarHBondContact O-N 2.87Å; A93-V105 HydrophobicContact CB-CG2 3.6Å; V105-L147 HydrophobicContact CG1-CB 4.43Å; V105-L147 HydrophobicContact CG1-CD2 4.21Å; V105-M149 HydrophobicContact CG1-CG 4.34Å; V105-M149 HydrophobicContact CG2-CG 4.21Å
106C97.8Very high82.8Confident0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-97.3104.7163.1-174.90000108.4V90 W120 V148 C162V90-C106 HydrophobicContact CG2-CB 4.31Å; C106-W120 HydrophobicContact CB-CH2 4.17Å; C106-W120 HydrophobicContact CB-CZ2 3.55Å; C106-V148 WeakPolarHBondContact CB-O 3.41Å; C106-V148 PolarHBondContact N-O 3.49Å; C106-V148 PolarHBondContact O-N 2.66Å; C106-C162 HydrophobicContact CB-CB 3.62Å; C106-C162 WeakPolarHBondContact CB-SG 3.35Å; C106-C162 WeakPolarHBondContact SG-CB 3.04Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.22Å
107S98.1Very high84.9Confident21 Ų2155.5 Ų55.515%0.14731%0.307CS..EExtended strand (participates in β ladder)trans-89.5120.5175.3-178.40000109.4V88 T89V88-S107 WeakPolarHBondContact CA-O 3.3Å; T89-S107 PolarHBondContact N-O 3.19Å; T89-S107 PolarHBondContact O-N 2.83Å
108V98.6Very high87.1Confident0 Ų050.2 Ų50.20%027%0.272CS..EExtended strand (participates in β ladder)trans-120.4115.2178.6-1700000108.2P86 Q87 V88 F111 I116 V118 Q145 T146 V164P86-V108 HydrophobicContact CB-CG1 3.54Å; Q87-V108 WeakPolarHBondContact O-CA 3.47Å; V88-V108 HydrophobicContact CG1-CG2 4.45Å; V88-V108 HydrophobicContact CG2-CG1 4.34Å; V108-F111 HydrophobicContact CB-CE1 4.36Å; V108-F111 HydrophobicContact CG1-CD1 3.92Å; V108-F111 HydrophobicContact CG1-CE1 3.9Å; V108-F111 WeakPolarHBondContact O-CE1 3.4Å; V108-I116 HydrophobicContact CG1-CD1 3.58Å; V108-V118 HydrophobicContact CG2-CG1 4.32Å; V108-V118 HydrophobicContact CG2-CG2 4.06Å; V108-Q145 CarbonylContact O-C 3.56Å; V108-Q145 VanDerWaalsContact O-CA 3.24Å; V108-Q145 WeakPolarHBondContact O-CA 3.45Å; V108-T146 HydrophobicContact CB-CG2 3.97Å; V108-T146 PolarHBondContact N-O 2.8Å; V108-T146 PolarHBondContact O-N 3.04Å; V108-V164 HydrophobicContact CG1-CG1 4.11Å; V108-V164 HydrophobicContact CG1-CG2 4.44Å; V108-V164 HydrophobicContact CG2-CG2 3.81Å
109S98.2Very high89.4Confident29 Ų2945.7 Ų45.720%0.20324%0.244CC..EExtended strand (participates in β ladder)trans-138.2157.9-169.257.90000113.7Q87 F111Q87-S109 PolarHBondContact N-O 3.45Å; Q87-S109 PolarHBondContact O-N 3.01Å; S109-F111 PolarHBondContact O-N 2.6Å
110G98Very high91.7Very high22 Ų2240.1 Ų40.123%0.22722%0.218CC..EExtended strand (participates in β ladder)trans76.218.317000000114.6V84 F144V84-G110 WeakPolarHBondContact CG1-O 3.18Å; G110-F144 PolarHBondContact N-O 2.73Å
111F98.6Very high93.9Very high0 Ų034.1 Ų34.10%019%0.189CC..EExtended strand (participates in β ladder)trans-99.7159.7-175.462.4-88.6000113.5V84 P86 V108 S109 P113 I116 L136 T143 F144 T146 H166V84-F111 WeakPolarHBondContact O-CA 3.33Å; P86-F111 HydrophobicContact CB-CB 3.75Å; P86-F111 HydrophobicContact CB-CD1 4.07Å; P86-F111 HydrophobicContact CB-CG 4.19Å; P86-F111 HydrophobicContact CG-CB 4.39Å; V108-F111 HydrophobicContact CB-CE1 4.36Å; V108-F111 HydrophobicContact CG1-CD1 3.92Å; V108-F111 HydrophobicContact CG1-CE1 3.9Å; V108-F111 WeakPolarHBondContact O-CE1 3.4Å; S109-F111 PolarHBondContact O-N 2.6Å; F111-P113 WeakPolarHBondContact CD2-O 3.32Å; F111-I116 HydrophobicContact CD1-CD1 3.96Å; F111-I116 HydrophobicContact CD2-CB 4.48Å; F111-I116 HydrophobicContact CD2-CD1 3.87Å; F111-I116 HydrophobicContact CE1-CD1 3.77Å; F111-I116 HydrophobicContact CE2-CB 3.88Å; F111-I116 HydrophobicContact CE2-CD1 3.68Å; F111-I116 HydrophobicContact CE2-CG1 4.4Å; F111-I116 HydrophobicContact CE2-CG2 3.79Å; F111-I116 HydrophobicContact CG-CD1 4.02Å; F111-I116 HydrophobicContact CZ-CB 4.28Å; F111-I116 HydrophobicContact CZ-CD1 3.64Å; F111-I116 HydrophobicContact CZ-CG2 3.81Å; F111-L136 HydrophobicContact CE2-CD1 3.85Å; F111-L136 HydrophobicContact CZ-CD1 3.76Å; F111-T143 CarbonylContact O-C 3.6Å; F111-T143 WeakPolarHBondContact O-CA 3.29Å; F111-F144 WeakPolarHBondContact CD1-O 3.48Å; F111-F144 HydrophobicContact CD2-CB 4.1Å; F111-F144 HydrophobicContact CE1-CB 4.29Å; F111-F144 HydrophobicContact CE2-CB 3.67Å; F111-F144 HydrophobicContact CZ-CB 3.76Å; F111-F144 PolarHBondContact N-O 2.8Å; F111-F144 PolarHBondContact O-N 3.08Å; F111-T146 HydrophobicContact CE1-CG2 4.24Å; F111-T146 HydrophobicContact CZ-CG2 4.16Å; F111-H166 AromaticContact CD2-CD2 3.9Å; F111-H166 AromaticContact CD2-NE2 3.74Å
112Y98.4Very high95.8Very high39 Ų3933.2 Ų33.215%0.15318%0.182CC..BIsolated β-bridgetrans-156.5138.3172.5-176.3-79.7000109.4T79 R82 R83 V84 W142 F144 H166T79-Y112 VanDerWaalsContact O-CE1 3.25Å; T79-Y112 WeakPolarHBondContact O-CE1 3.25Å; T79-Y112 PolarHBondContact O-OH 2.68Å; R82-Y112 HydrophobicContact CB-CD1 3.94Å; R82-Y112 HydrophobicContact CB-CE1 3.79Å; R82-Y112 HydrophobicContact CG-CD1 3.73Å; R82-Y112 HydrophobicContact CG-CE1 4.03Å; R82-Y112 HydrophobicContact CG-CG 4.46Å; R82-Y112 WeakPolarHBondContact O-CD1 3.49Å; R83-Y112 CarbonylContact C-O 3.5Å; R83-Y112 WeakPolarHBondContact CA-O 3.14Å; V84-Y112 PolarHBondContact N-O 2.95Å; V84-Y112 PolarHBondContact O-N 3.45Å; Y112-W142 WeakPolarHBondContact CD2-O 3.15Å; Y112-W142 HydrophobicContact CE2-CE3 4.33Å; Y112-F144 HydrophobicContact CD2-CD2 4.09Å; Y112-F144 AromaticContact CD2-CE2 3.56Å; Y112-F144 HydrophobicContact CD2-CE2 3.56Å; Y112-F144 AromaticContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CG-CE2 4.45Å; Y112-H166 PolarHBondContact O-CE1 2.89Å
113P98.1Very high96.8Very high28 Ų2834.4 Ų34.418%0.18219%0.189CC..SBendcis-75.6179.94.333.9-38.9000113F111 S115 H166 P167F111-P113 WeakPolarHBondContact CD2-O 3.32Å; P113-S115 PolarHBondContact O-N 2.97Å; P113-H166 PolarHBondContact O-NE2 3.16Å; P113-P167 HydrophobicContact CG-CG 4.47Å
114G97.4Very high97.1Very high17 Ų1735.1 Ų35.118%0.17521%0.207CC..SBendtrans-71.6-12.5-17800000115.6I116 L136 F144G114-I116 PolarHBondContact O-N 3.32Å; G114-L136 WeakPolarHBondContact O-CD1 3.47Å; G114-F144 VanDerWaalsContact N-CE2 3.31Å
115S96.9Very high97.3Very high86 Ų8642.5 Ų42.560%0.60124%0.242SC*.  trans-72.1112.7178.2-174.90000110.2P113 H166 P167P113-S115 PolarHBondContact O-N 2.97Å; S115-H166 PolarHBondContact O-CD2 2.75Å; S115-H166 VanDerWaalsContact O-CD2 3.32Å; S115-P167 VanDerWaalsContact O-CD 3.29Å; S115-P167 WeakPolarHBondContact O-CD 3.35Å
116I98.2Very high97.4Very high42 Ų4246.3 Ų46.322%0.21526%0.259CS..  trans-148.1146.7-176.2-164.8165.2000110.4V108 F111 G114 V118 T146 V164 E165 H166V108-I116 HydrophobicContact CG1-CD1 3.58Å; F111-I116 HydrophobicContact CD1-CD1 3.96Å; F111-I116 HydrophobicContact CD2-CB 4.48Å; F111-I116 HydrophobicContact CD2-CD1 3.87Å; F111-I116 HydrophobicContact CE1-CD1 3.77Å; F111-I116 HydrophobicContact CE2-CB 3.88Å; F111-I116 HydrophobicContact CE2-CD1 3.68Å; F111-I116 HydrophobicContact CE2-CG1 4.4Å; F111-I116 HydrophobicContact CE2-CG2 3.79Å; F111-I116 HydrophobicContact CG-CD1 4.02Å; F111-I116 HydrophobicContact CZ-CB 4.28Å; F111-I116 HydrophobicContact CZ-CD1 3.64Å; F111-I116 HydrophobicContact CZ-CG2 3.81Å; G114-I116 PolarHBondContact O-N 3.32Å; I116-V118 HydrophobicContact CD1-CG2 4.32Å; I116-V118 HydrophobicContact CG1-CG2 4.14Å; I116-T146 HydrophobicContact CG2-CG2 4.39Å; I116-V164 HydrophobicContact CD1-CG1 3.7Å; I116-V164 HydrophobicContact CG1-CG1 3.92Å; I116-E165 WeakPolarHBondContact CG1-O 3.32Å; I116-H166 HydrophobicContact CD1-CB 4.48Å; I116-H166 HydrophobicContact CG1-CB 4.26Å
117E98.1Very high97.4Very high90 Ų9048.6 Ų48.642%0.42127%0.27SS..EExtended strand (participates in β ladder)trans-120.6130.1170.5-174.8178.3161.800109.2R119 V164 E165E117-R119 HydrophobicContact CG-CG 4.3Å; E117-R119 WeakPolarHBondContact OE1-CD 3.26Å; E117-R119 IonicContact OE1-CZ 3.75Å; E117-R119 IonicContact OE1-NE 2.63Å; E117-R119 IonicContact OE1-NH1 3.42Å; E117-R119 PolarHBondContact OE1-NH1 3.04Å; E117-V164 CarbonylContact O-C 3.58Å; E117-V164 WeakPolarHBondContact O-CA 3.27Å; E117-E165 HydrophobicContact CB-CB 4.27Å; E117-E165 PolarHBondContact N-O 2.84Å; E117-E165 PolarHBondContact O-N 3.29Å
118V98.5Very high97.3Very high28 Ų2854.5 Ų54.517%0.1729%0.293CS..EExtended strand (participates in β ladder)trans-130.2122-178.1-177.70000108.3V108 I116 T146 V148 Q163 V164V108-V118 HydrophobicContact CG2-CG1 4.32Å; V108-V118 HydrophobicContact CG2-CG2 4.06Å; I116-V118 HydrophobicContact CD1-CG2 4.32Å; I116-V118 HydrophobicContact CG1-CG2 4.14Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; V118-V148 HydrophobicContact CB-CB 4.47Å; V118-V148 HydrophobicContact CB-CG2 3.74Å; V118-V148 HydrophobicContact CG1-CB 3.83Å; V118-V148 HydrophobicContact CG1-CG1 4.34Å; V118-V148 HydrophobicContact CG1-CG2 3.6Å; V118-V148 HydrophobicContact CG2-CG2 4.33Å; V118-Q163 CarbonylContact C-O 3.58Å; V118-Q163 WeakPolarHBondContact CA-O 3.39Å; V118-V164 HydrophobicContact CG1-CG2 4.21Å; V118-V164 HydrophobicContact CG2-CG1 4.34Å; V118-V164 HydrophobicContact CG2-CG2 4.2Å
119R98.4Very high97.1Very high57 Ų5757.9 Ų57.922%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-124.9145-176.6-65.1-172.9-64.3-131.25.8111.1E117 F121 E126 Q163 E165E117-R119 HydrophobicContact CG-CG 4.3Å; E117-R119 WeakPolarHBondContact OE1-CD 3.26Å; E117-R119 IonicContact OE1-CZ 3.75Å; E117-R119 IonicContact OE1-NE 2.63Å; E117-R119 IonicContact OE1-NH1 3.42Å; E117-R119 PolarHBondContact OE1-NH1 3.04Å; R119-F121 HydrophobicContact CB-CD2 4.44Å; R119-F121 HydrophobicContact CB-CE2 3.73Å; R119-F121 HydrophobicContact CB-CZ 4.44Å; R119-E126 WeakPolarHBondContact CD-OE1 3.47Å; R119-Q163 PolarHBondContact N-O 2.89Å; R119-Q163 PolarHBondContact O-N 2.92Å; R119-E165 IonicContact CZ-OE1 3.42Å; R119-E165 IonicContact NH1-OE1 3.54Å; R119-E165 IonicContact NH2-OE1 3.17Å; R119-E165 PolarHBondContact NH2-OE1 3.24Å
120W98.2Very high96.7Very high1 Ų158.1 Ų58.10%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-97.8142.7170.3-83.8107.3000110.6V90 L104 C106 E126 E127 V131 V148 L150 T161 C162V90-W120 HydrophobicContact CG1-CH2 3.66Å; V90-W120 HydrophobicContact CG1-CZ3 4.26Å; V90-W120 HydrophobicContact CG2-CH2 4.23Å; L104-W120 HydrophobicContact CB-CH2 3.9Å; L104-W120 HydrophobicContact CB-CZ2 4.15Å; C106-W120 HydrophobicContact CB-CH2 4.17Å; C106-W120 HydrophobicContact CB-CZ2 3.55Å; W120-E126 WeakPolarHBondContact O-CA 3.35Å; W120-E127 HydrophobicContact CB-CB 4.36Å; W120-E127 PolarHBondContact O-N 3.17Å; W120-V131 HydrophobicContact CB-CG2 4.22Å; W120-V131 HydrophobicContact CG-CG2 4.4Å; W120-V148 PolarHBondContact NE1-O 2.97Å; W120-L150 HydrophobicContact CB-CD2 4.49Å; W120-L150 HydrophobicContact CD2-CB 4.09Å; W120-L150 HydrophobicContact CD2-CD2 4.21Å; W120-L150 HydrophobicContact CE3-CD2 4.29Å; W120-L150 HydrophobicContact CG-CB 4.14Å; W120-L150 HydrophobicContact CG-CD2 4.33Å; W120-L150 HydrophobicContact CZ2-CB 4.35Å; W120-T161 CarbonylContact C-O 3.6Å; W120-C162 HydrophobicContact CE3-CB 4.36Å; W120-C162 HydrophobicContact CH2-CB 4.32Å; W120-C162 HydrophobicContact CZ3-CB 4.18Å
121F97.7Very high96.7Very high37 Ų3759.4 Ų59.416%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-128.3144.4170.2-64.7-103.9000109.5R119 Q125 E126 Y160 T161 Q163R119-F121 HydrophobicContact CB-CD2 4.44Å; R119-F121 HydrophobicContact CB-CE2 3.73Å; R119-F121 HydrophobicContact CB-CZ 4.44Å; F121-Q125 CarbonylContact C-O 3.51Å; F121-Q125 WeakPolarHBondContact CA-O 3.46Å; F121-E126 HydrophobicContact CD1-CB 4.1Å; F121-E126 HydrophobicContact CE1-CB 3.84Å; F121-E126 HydrophobicContact CE1-CG 4.35Å; F121-E126 HydrophobicContact CZ-CB 4.33Å; F121-E126 HydrophobicContact CZ-CG 4.35Å; F121-Y160 CarbonylContact O-C 3.49Å; F121-Y160 VanDerWaalsContact O-CA 3.31Å; F121-Y160 WeakPolarHBondContact O-CA 3.44Å; F121-T161 PolarHBondContact N-O 2.92Å; F121-T161 PolarHBondContact O-N 3Å; F121-Q163 HydrophobicContact CD2-CB 4.09Å; F121-Q163 HydrophobicContact CE2-CB 3.73Å; F121-Q163 HydrophobicContact CE2-CG 4.43Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.29Å
122R95Very high96.5Very high74 Ų7463.2 Ų63.228%0.27936%0.355SS..EExtended strand (participates in β ladder)trans-123.2119172.2-178.1-178.3-179.5-179.72.3108.3G124 Q125 E158 Y160R122-G124 PolarHBondContact O-N 2.85Å; R122-G124 VanDerWaalsContact O-N 3.13Å; R122-Q125 PolarHBondContact N-O 3.11Å; R122-Q125 PolarHBondContact O-N 2.78Å; R122-E158 IonicContact CZ-OE1 3.92Å; R122-E158 IonicContact NE-OE1 3.08Å; R122-E158 IonicContact NE-OE2 3.83Å; R122-E158 IonicContact NH2-OE1 2.67Å; R122-E158 PolarHBondContact NH2-OE1 3.17Å; R122-E158 IonicContact NH2-OE2 3.58Å; R122-Y160 HydrophobicContact CB-CD1 4.33Å; R122-Y160 HydrophobicContact CB-CE1 4.28Å; R122-Y160 HydrophobicContact CG-CD1 4.29Å; R122-Y160 HydrophobicContact CG-CE1 3.88Å
123N93.8Very high96.4Very high98 Ų9864.5 Ų64.552%0.52437%0.369SS..THydrogen-bonded Turntrans49.537.8-176-56.8-30.5000112.8Q125 V159N123-Q125 VanDerWaalsContact C-N 3.34Å; N123-Q125 PolarHBondContact O-N 3.19Å; N123-V159 PolarHBondContact N-O 2.9Å; N123-V159 PolarHBondContact OD1-N 2.85Å; N123-V159 PolarHBondContact OD1-O 3.45Å
124G93.8Very high96.3Very high61 Ų6166.2 Ų66.263%0.62938%0.379SS*.THydrogen-bonded Turntrans83.3-4.2-179.800000116.1R122R122-G124 PolarHBondContact O-N 2.85Å; R122-G124 VanDerWaalsContact O-N 3.13Å
125Q96.8Very high96.3Very high156 Ų15667 Ų6773%0.72939%0.387SS*.EExtended strand (participates in β ladder)trans-98.2135.6173.8-65.6-170.7-21.500110.8F121 R122 N123 E127F121-Q125 CarbonylContact C-O 3.51Å; F121-Q125 WeakPolarHBondContact CA-O 3.46Å; R122-Q125 PolarHBondContact N-O 3.11Å; R122-Q125 PolarHBondContact O-N 2.78Å; N123-Q125 VanDerWaalsContact C-N 3.34Å; N123-Q125 PolarHBondContact O-N 3.19Å; Q125-E127 PolarHBondContact O-N 2.83Å
126E97.6Very high96.3Very high86 Ų8666.8 Ų66.840%0.40238%0.379SS..EExtended strand (participates in β ladder)trans-62.4127.1178.6-168.2-172.7-178.500110.2R119 W120 F121 K128R119-E126 WeakPolarHBondContact CD-OE1 3.47Å; W120-E126 WeakPolarHBondContact O-CA 3.35Å; F121-E126 HydrophobicContact CD1-CB 4.1Å; F121-E126 HydrophobicContact CE1-CB 3.84Å; F121-E126 HydrophobicContact CE1-CG 4.35Å; F121-E126 HydrophobicContact CZ-CB 4.33Å; F121-E126 HydrophobicContact CZ-CG 4.35Å; E126-K128 WeakPolarHBondContact OE1-CE 3.49Å; E126-K128 IonicContact OE1-NZ 3.57Å; E126-K128 PolarHBondContact OE1-NZ 2.87Å; E126-K128 WeakPolarHBondContact OE2-CE 3.4Å; E126-K128 IonicContact OE2-NZ 3.52Å; E126-K128 PolarHBondContact OE2-NZ 3.12Å
127E96.1Very high96.3Very high48 Ų4867.8 Ų67.822%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-105.6124.4178.7-175.760.2-90.900109.4W120 Q125 A129 V131 L150W120-E127 HydrophobicContact CB-CB 4.36Å; W120-E127 PolarHBondContact O-N 3.17Å; Q125-E127 PolarHBondContact O-N 2.83Å; E127-A129 WeakPolarHBondContact OE1-CB 3.12Å; E127-A129 PolarHBondContact OE1-N 2.97Å; E127-V131 WeakPolarHBondContact O-CG2 3.16Å; E127-L150 HydrophobicContact CG-CD1 3.66Å; E127-L150 HydrophobicContact CG-CD2 4.38Å
128K96.3Very high96.3Very high145 Ų14571 Ų7163%0.6340%0.399SS*.  trans-118.3-24.4178.7-63.6-175.4-177.41770111.8E126 V131E126-K128 WeakPolarHBondContact OE1-CE 3.49Å; E126-K128 IonicContact OE1-NZ 3.57Å; E126-K128 PolarHBondContact OE1-NZ 2.87Å; E126-K128 WeakPolarHBondContact OE2-CE 3.4Å; E126-K128 IonicContact OE2-NZ 3.52Å; E126-K128 PolarHBondContact OE2-NZ 3.12Å; K128-V131 PolarHBondContact O-N 2.67Å
129A94.3Very high96.2Very high71 Ų7172.3 Ų72.359%0.58741%0.405SS*.THydrogen-bonded Turntrans-72.7133.4179.700000109.5E127 V131 L150E127-A129 WeakPolarHBondContact OE1-CB 3.12Å; E127-A129 PolarHBondContact OE1-N 2.97Å; A129-V131 PolarHBondContact O-N 3.22Å; A129-L150 WeakPolarHBondContact O-CD1 3.37Å
130G91.6Very high96.1Very high35 Ų3573.2 Ų73.236%0.36143%0.432SS..THydrogen-bonded Turntrans7110.6-179.200000114.6E151G130-E151 PolarHBondContact O-N 3.14Å
131V96.4Very high96Very high48 Ų4877.8 Ų77.829%0.29146%0.457SS..EExtended strand (participates in β ladder)trans-85.5126.9174.3179.20000110.4W120 E127 K128 A129 V148 M149 L150W120-V131 HydrophobicContact CB-CG2 4.22Å; W120-V131 HydrophobicContact CG-CG2 4.4Å; E127-V131 WeakPolarHBondContact O-CG2 3.16Å; K128-V131 PolarHBondContact O-N 2.67Å; A129-V131 PolarHBondContact O-N 3.22Å; V131-V148 HydrophobicContact CG1-CG1 3.55Å; V131-M149 CarbonylContact C-O 3.6Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.37Å; V131-L150 HydrophobicContact CG2-CD1 3.77Å
132V95.7Very high95.9Very high81 Ų8183.2 Ų83.249%0.49148%0.476SS..EExtended strand (participates in β ladder)trans-129.8133.6178.8-177.50000109.6M149V132-M149 HydrophobicContact CB-CE 4.24Å; V132-M149 HydrophobicContact CG1-CE 3.99Å; V132-M149 PolarHBondContact N-O 3.16Å; V132-M149 PolarHBondContact O-N 2.8Å
133S96.6Very high96.1Very high66 Ų6680.6 Ų80.646%0.46247%0.468SS..EExtended strand (participates in β ladder)trans-113.3142.5177.3178.60000110.9G135 L147S133-G135 PolarHBondContact O-N 3.39Å; S133-G135 PolarHBondContact OG-N 3.11Å; S133-G135 VanDerWaalsContact OG-N 3.1Å; S133-L147 WeakPolarHBondContact CA-O 3.39Å
134T95.8Very high96.3Very high64 Ų6477.4 Ų77.439%0.39345%0.45SS..  trans-70.6-12.1169.655.10000113.1L147 M149T134-L147 HydrophobicContact CG2-CB 3.79Å; T134-L147 HydrophobicContact CG2-CD1 4.21Å; T134-L147 HydrophobicContact CG2-CG 4.28Å; T134-L147 PolarHBondContact N-O 2.94Å; T134-L147 PolarHBondContact OG1-N 3.34Å; T134-M149 HydrophobicContact CG2-CE 4.22Å
135G96.4Very high96.5Very high33 Ų3377.6 Ų77.634%0.3444%0.435SS..  trans71.8-176-16300000111.8S133 T146S133-G135 PolarHBondContact O-N 3.39Å; S133-G135 PolarHBondContact OG-N 3.11Å; S133-G135 VanDerWaalsContact OG-N 3.1Å; G135-T146 PolarHBondContact O-OG1 2.68Å
136L97.4Very high96.6Very high82 Ų8270.4 Ų70.443%0.42940%0.401SS..  trans-79.2123.4-175.6-170.371.5000111.3F111 G114 F144F111-L136 HydrophobicContact CE2-CD1 3.85Å; F111-L136 HydrophobicContact CZ-CD1 3.76Å; G114-L136 WeakPolarHBondContact O-CD1 3.47Å; L136-F144 HydrophobicContact CD1-CB 3.65Å; L136-F144 HydrophobicContact CD1-CD1 3.78Å; L136-F144 HydrophobicContact CD1-CG 3.9Å; L136-F144 HydrophobicContact CD2-CD1 3.57Å; L136-F144 HydrophobicContact CD2-CE1 3.63Å; L136-F144 HydrophobicContact CD2-CG 4.32Å; L136-F144 HydrophobicContact CD2-CZ 4.49Å; L136-F144 HydrophobicContact CG-CB 4.33Å; L136-F144 HydrophobicContact CG-CD1 3.54Å; L136-F144 HydrophobicContact CG-CE1 4.12Å; L136-F144 HydrophobicContact CG-CG 4.2Å
137I97.9Very high96.6Very high62 Ų6268.3 Ų68.332%0.31839%0.393SS..EExtended strand (participates in β ladder)trans-106.9132.1178-59166.2000109.1F144 Q145I137-F144 VanDerWaalsContact O-CA 3.27Å; I137-F144 WeakPolarHBondContact O-CA 3.45Å; I137-Q145 HydrophobicContact CB-CG 3.68Å; I137-Q145 WeakPolarHBondContact CB-O 3.41Å; I137-Q145 HydrophobicContact CD1-CG 4.21Å; I137-Q145 HydrophobicContact CG2-CG 3.92Å; I137-Q145 PolarHBondContact N-O 2.74Å; I137-Q145 PolarHBondContact O-N 3.12Å
138Q97.6Very high96.7Very high158 Ų15866.4 Ų66.474%0.73838%0.384SS*.EExtended strand (participates in β ladder)trans-93124.1176.4-70.9179.535.800110.6F144Q138-F144 HydrophobicContact CG-CD1 3.82Å; Q138-F144 HydrophobicContact CG-CE1 3.5Å; Q138-F144 VanDerWaalsContact CG-CE1 3.5Å
139N96.8Very high96.7Very high55 Ų5561.6 Ų61.629%0.29436%0.364SS..  trans-84.4-17.8-176.2-64.6-22.8000113.7D141 T143 Q145N139-D141 VanDerWaalsContact C-N 3.29Å; N139-D141 WeakPolarHBondContact CB-OD1 3.39Å; N139-T143 WeakPolarHBondContact CB-O 3.24Å; N139-T143 PolarHBondContact N-O 3.14Å; N139-T143 VanDerWaalsContact N-O 3.17Å; N139-T143 PolarHBondContact ND2-OG1 2.93Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.43Å; N139-Q145 PolarHBondContact OD1-NE2 2.8Å
140G96.1Very high96.7Very high77 Ų7758.3 Ų58.379%0.79434%0.337SS*.SBendtrans83.3-1.3-174.800000114.7
141D96.7Very high96.7Very high96 Ų9661 Ų6151%0.51334%0.34SS..SBendtrans-112.123.3179.769.8-7.8000113.1N139 T143N139-D141 VanDerWaalsContact C-N 3.29Å; N139-D141 WeakPolarHBondContact CB-OD1 3.39Å; D141-T143 VanDerWaalsContact C-N 3.26Å; D141-T143 PolarHBondContact O-N 2.84Å; D141-T143 WeakPolarHBondContact OD1-CB 3.39Å; D141-T143 PolarHBondContact OD1-N 2.8Å; D141-T143 PolarHBondContact OD1-OG1 3.45Å; D141-T143 PolarHBondContact OD2-OG1 2.93Å
142W96.2Very high96.3Very high151 Ų15159.5 Ų59.557%0.57233%0.331SS*.SBendtrans66.221.7-172.8-60.674.7000115T79 Y112T79-W142 HydrophobicContact CG2-CH2 4.11Å; T79-W142 HydrophobicContact CG2-CZ3 4.02Å; Y112-W142 WeakPolarHBondContact CD2-O 3.15Å; Y112-W142 HydrophobicContact CE2-CE3 4.33Å
143T98.1Very high95.7Very high19 Ų1959.4 Ų59.412%0.11733%0.331CS..  trans-124.1163.6168.972.90000112F111 N139 D141F111-T143 CarbonylContact O-C 3.6Å; F111-T143 WeakPolarHBondContact O-CA 3.29Å; N139-T143 WeakPolarHBondContact CB-O 3.24Å; N139-T143 PolarHBondContact N-O 3.14Å; N139-T143 VanDerWaalsContact N-O 3.17Å; N139-T143 PolarHBondContact ND2-OG1 2.93Å; D141-T143 VanDerWaalsContact C-N 3.26Å; D141-T143 PolarHBondContact O-N 2.84Å; D141-T143 WeakPolarHBondContact OD1-CB 3.39Å; D141-T143 PolarHBondContact OD1-N 2.8Å; D141-T143 PolarHBondContact OD1-OG1 3.45Å; D141-T143 PolarHBondContact OD2-OG1 2.93Å
144F98.5Very high95.1Very high32 Ų3257.5 Ų57.514%0.1432%0.317CS..EExtended strand (participates in β ladder)trans-119.3162.4176.9-61.2-89.7000111.1G110 F111 Y112 G114 L136 I137 Q138G110-F144 PolarHBondContact N-O 2.73Å; F111-F144 WeakPolarHBondContact CD1-O 3.48Å; F111-F144 HydrophobicContact CD2-CB 4.1Å; F111-F144 HydrophobicContact CE1-CB 4.29Å; F111-F144 HydrophobicContact CE2-CB 3.67Å; F111-F144 HydrophobicContact CZ-CB 3.76Å; F111-F144 PolarHBondContact N-O 2.8Å; F111-F144 PolarHBondContact O-N 3.08Å; Y112-F144 HydrophobicContact CD2-CD2 4.09Å; Y112-F144 AromaticContact CD2-CE2 3.56Å; Y112-F144 HydrophobicContact CD2-CE2 3.56Å; Y112-F144 AromaticContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CE2-CE2 3.93Å; Y112-F144 HydrophobicContact CG-CE2 4.45Å; G114-F144 VanDerWaalsContact N-CE2 3.31Å; L136-F144 HydrophobicContact CD1-CB 3.65Å; L136-F144 HydrophobicContact CD1-CD1 3.78Å; L136-F144 HydrophobicContact CD1-CG 3.9Å; L136-F144 HydrophobicContact CD2-CD1 3.57Å; L136-F144 HydrophobicContact CD2-CE1 3.63Å; L136-F144 HydrophobicContact CD2-CG 4.32Å; L136-F144 HydrophobicContact CD2-CZ 4.49Å; L136-F144 HydrophobicContact CG-CB 4.33Å; L136-F144 HydrophobicContact CG-CD1 3.54Å; L136-F144 HydrophobicContact CG-CE1 4.12Å; L136-F144 HydrophobicContact CG-CG 4.2Å; I137-F144 VanDerWaalsContact O-CA 3.27Å; I137-F144 WeakPolarHBondContact O-CA 3.45Å; Q138-F144 HydrophobicContact CG-CD1 3.82Å; Q138-F144 HydrophobicContact CG-CE1 3.5Å; Q138-F144 VanDerWaalsContact CG-CE1 3.5Å
145Q98.4Very high94.4Very high65 Ų6562.7 Ų62.730%0.30433%0.329SS..EExtended strand (participates in β ladder)trans-141.5158.7168.167.3-179.2-62.500111.2V108 I137 N139V108-Q145 CarbonylContact O-C 3.56Å; V108-Q145 VanDerWaalsContact O-CA 3.24Å; V108-Q145 WeakPolarHBondContact O-CA 3.45Å; I137-Q145 HydrophobicContact CB-CG 3.68Å; I137-Q145 WeakPolarHBondContact CB-O 3.41Å; I137-Q145 HydrophobicContact CD1-CG 4.21Å; I137-Q145 HydrophobicContact CG2-CG 3.92Å; I137-Q145 PolarHBondContact N-O 2.74Å; I137-Q145 PolarHBondContact O-N 3.12Å; N139-Q145 WeakPolarHBondContact OD1-CG 3.43Å; N139-Q145 PolarHBondContact OD1-NE2 2.8Å
146T98.4Very high93.7Very high5 Ų566 Ų663%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-152.5146.1172.5-176.30000109.7V108 F111 I116 V118 G135V108-T146 HydrophobicContact CB-CG2 3.97Å; V108-T146 PolarHBondContact N-O 2.8Å; V108-T146 PolarHBondContact O-N 3.04Å; F111-T146 HydrophobicContact CE1-CG2 4.24Å; F111-T146 HydrophobicContact CZ-CG2 4.16Å; I116-T146 HydrophobicContact CG2-CG2 4.39Å; V118-T146 HydrophobicContact CG2-CG2 4.28Å; G135-T146 PolarHBondContact O-OG1 2.68Å
147L97.8Very high93Very high42 Ų4265.4 Ų65.422%0.2236%0.36CS..EExtended strand (participates in β ladder)trans-113.1124.7172.5-55.2176.1000108.4V105 S133 T134V105-L147 HydrophobicContact CG1-CB 4.43Å; V105-L147 HydrophobicContact CG1-CD2 4.21Å; S133-L147 WeakPolarHBondContact CA-O 3.39Å; T134-L147 HydrophobicContact CG2-CB 3.79Å; T134-L147 HydrophobicContact CG2-CD1 4.21Å; T134-L147 HydrophobicContact CG2-CG 4.28Å; T134-L147 PolarHBondContact N-O 2.94Å; T134-L147 PolarHBondContact OG1-N 3.34Å
148V97.9Very high92.6Very high7 Ų763.4 Ų63.44%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-114.4109.7173-173.80000108.8C106 V118 W120 V131C106-V148 WeakPolarHBondContact CB-O 3.41Å; C106-V148 PolarHBondContact N-O 3.49Å; C106-V148 PolarHBondContact O-N 2.66Å; V118-V148 HydrophobicContact CB-CB 4.47Å; V118-V148 HydrophobicContact CB-CG2 3.74Å; V118-V148 HydrophobicContact CG1-CB 3.83Å; V118-V148 HydrophobicContact CG1-CG1 4.34Å; V118-V148 HydrophobicContact CG1-CG2 3.6Å; V118-V148 HydrophobicContact CG2-CG2 4.33Å; W120-V148 PolarHBondContact NE1-O 2.97Å; V131-V148 HydrophobicContact CG1-CG1 3.55Å
149M95.6Very high92.4Very high44 Ų4458.2 Ų58.222%0.21733%0.328CS..EExtended strand (participates in β ladder)trans-100.8140.4-172.7-59.5167.9-76.900109.8L103 L104 V105 V131 V132 T134L103-M149 HydrophobicContact CD2-CB 4.26Å; L104-M149 CarbonylContact O-C 3.52Å; L104-M149 VanDerWaalsContact O-CA 3.29Å; L104-M149 WeakPolarHBondContact O-CA 3.26Å; V105-M149 HydrophobicContact CG1-CG 4.34Å; V105-M149 HydrophobicContact CG2-CG 4.21Å; V131-M149 CarbonylContact C-O 3.6Å; V131-M149 VanDerWaalsContact CA-O 3.26Å; V131-M149 WeakPolarHBondContact CA-O 3.37Å; V132-M149 HydrophobicContact CB-CE 4.24Å; V132-M149 HydrophobicContact CG1-CE 3.99Å; V132-M149 PolarHBondContact N-O 3.16Å; V132-M149 PolarHBondContact O-N 2.8Å; T134-M149 HydrophobicContact CG2-CE 4.22Å
150L94.9Very high92.3Very high3 Ų355.6 Ų55.62%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-118.8118.9173.5172.864.6000109L104 W120 E127 A129 V131 T152 Y160L104-L150 HydrophobicContact CB-CB 4.41Å; L104-L150 PolarHBondContact N-O 3.44Å; L104-L150 PolarHBondContact O-N 2.63Å; W120-L150 HydrophobicContact CB-CD2 4.49Å; W120-L150 HydrophobicContact CD2-CB 4.09Å; W120-L150 HydrophobicContact CD2-CD2 4.21Å; W120-L150 HydrophobicContact CE3-CD2 4.29Å; W120-L150 HydrophobicContact CG-CB 4.14Å; W120-L150 HydrophobicContact CG-CD2 4.33Å; W120-L150 HydrophobicContact CZ2-CB 4.35Å; E127-L150 HydrophobicContact CG-CD1 3.66Å; E127-L150 HydrophobicContact CG-CD2 4.38Å; A129-L150 WeakPolarHBondContact O-CD1 3.37Å; V131-L150 HydrophobicContact CG2-CD1 3.77Å; L150-T152 HydrophobicContact CD2-CG2 4.15Å; L150-T152 HydrophobicContact CG-CG2 4.07Å; L150-T152 PolarHBondContact O-N 2.97Å; L150-Y160 HydrophobicContact CD2-CD1 3.65Å; L150-Y160 HydrophobicContact CD2-CE1 3.85Å
151E92.1Very high92.4Very high90 Ų9052.8 Ų52.842%0.42128%0.282SS..EExtended strand (participates in β ladder)trans-78.6110.3172.6-168.6179.117500110.2H101 L103 G130H101-E151 HydrophobicContact CB-CG 3.88Å; H101-E151 IonicContact CD2-OE1 3.49Å; H101-E151 PolarHBondContact CD2-OE1 3.26Å; H101-E151 IonicContact CE1-OE1 3.45Å; H101-E151 PolarHBondContact CE1-OE1 2.84Å; H101-E151 IonicContact CG-OE1 3.08Å; H101-E151 IonicContact ND1-OE1 3.06Å; H101-E151 PolarHBondContact ND1-OE1 2.99Å; H101-E151 IonicContact NE2-OE1 3.76Å; L103-E151 HydrophobicContact CD2-CB 4.19Å; G130-E151 PolarHBondContact O-N 3.14Å
152T87.2Confident92.5Very high17 Ų1748.2 Ų48.210%0.10426%0.258CS..EExtended strand (participates in β ladder)trans-152.4170.4-178.4-176.90000112N102 L104 L150 P154 Y160N102-T152 CarbonylContact C-O 3.42Å; N102-T152 WeakPolarHBondContact CA-O 3.35Å; N102-T152 WeakPolarHBondContact CB-O 3.12Å; N102-T152 PolarHBondContact N-O 2.99Å; N102-T152 CarbonylContact O-C 3.49Å; N102-T152 PolarHBondContact O-N 2.88Å; L104-T152 HydrophobicContact CD1-CG2 3.89Å; L104-T152 HydrophobicContact CG-CG2 4.15Å; L150-T152 HydrophobicContact CD2-CG2 4.15Å; L150-T152 HydrophobicContact CG-CG2 4.07Å; L150-T152 PolarHBondContact O-N 2.97Å; T152-P154 HydrophobicContact CG2-CG 4.07Å; T152-Y160 HydrophobicContact CG2-CE1 3.89Å; T152-Y160 PolarHBondContact OG1-OH 3.47Å; T152-Y160 VanDerWaalsContact OG1-OH 3.09Å
153V84.1Confident92.6Very high80 Ų8042.8 Ų42.849%0.48524%0.239SC..  trans-120.692.4168.2-177.60000106.8H100 R155H100-V153 WeakPolarHBondContact O-CG2 3.3Å; V153-R155 PolarHBondContact O-N 3.32Å
154P82.3Confident92.6Very high25 Ų2541.9 Ų41.916%0.16223%0.233CC..PPolyproline II helixtrans-59.4128.4-173.1-27.135.6000112.7L104 T152 Y160 W177 A179L104-P154 HydrophobicContact CD1-CG 4.28Å; L104-P154 HydrophobicContact CG-CG 4.43Å; T152-P154 HydrophobicContact CG2-CG 4.07Å; P154-Y160 HydrophobicContact CB-CE2 4.02Å; P154-Y160 HydrophobicContact CG-CE2 4.44Å; P154-W177 HydrophobicContact CB-CH2 3.63Å; P154-W177 HydrophobicContact CB-CZ3 3.56Å; P154-W177 HydrophobicContact CG-CH2 3.64Å; P154-W177 HydrophobicContact CG-CZ3 3.65Å; P154-A179 HydrophobicContact CB-CB 3.64Å
155R81.8Confident92.6Very high174 Ų17443.6 Ų43.666%0.65724%0.242SC*.PPolyproline II helixtrans-99154.1175.4-56.2180177-176.9-0.8110.6V153 G157 E158V153-R155 PolarHBondContact O-N 3.32Å; R155-G157 PolarHBondContact O-N 3.27Å; R155-E158 HydrophobicContact CB-CG 4.05Å; R155-E158 PolarHBondContact N-OE2 2.77Å; R155-E158 WeakPolarHBondContact O-CB 3.4Å; R155-E158 PolarHBondContact O-N 2.81Å
156S81.6Confident92.6Very high103 Ų10341 Ų4172%0.7223%0.229SC*.THydrogen-bonded Turntrans-61.4132.3176.4-167.80000110.5
157G83.9Confident92.6Very high68 Ų6844 Ų4470%0.70125%0.249SC*.THydrogen-bonded Turntrans90.4-8.6-177.700000114.7R155R155-G157 PolarHBondContact O-N 3.27Å
158E89.7Confident92.6Very high21 Ų2142.8 Ų42.810%0.09824%0.244CC..  trans-79.9140.7172.4-63-179.9157.800111.4R122 R155 Y160R122-E158 IonicContact CZ-OE1 3.92Å; R122-E158 IonicContact NE-OE1 3.08Å; R122-E158 IonicContact NE-OE2 3.83Å; R122-E158 IonicContact NH2-OE1 2.67Å; R122-E158 PolarHBondContact NH2-OE1 3.17Å; R122-E158 IonicContact NH2-OE2 3.58Å; R155-E158 HydrophobicContact CB-CG 4.05Å; R155-E158 PolarHBondContact N-OE2 2.77Å; R155-E158 WeakPolarHBondContact O-CB 3.4Å; R155-E158 PolarHBondContact O-N 2.81Å; E158-Y160 HydrophobicContact CB-CD2 4.41Å; E158-Y160 HydrophobicContact CB-CE2 3.7Å; E158-Y160 PolarHBondContact OE2-OH 2.92Å
159V93Very high92.6Very high48 Ų4843.8 Ų43.829%0.29125%0.25SS..EExtended strand (participates in β ladder)trans-116.4127.8174.6-176.60000108.7N123 E176N123-V159 PolarHBondContact N-O 2.9Å; N123-V159 PolarHBondContact OD1-N 2.85Å; N123-V159 PolarHBondContact OD1-O 3.45Å; V159-E176 HydrophobicContact CG1-CB 4.29Å; V159-E176 HydrophobicContact CG1-CG 4.41Å
160Y95.1Very high92.6Very high0 Ų049.1 Ų49.10%029%0.286CS..EExtended strand (participates in β ladder)trans-111.8134.5176.5-65.2-95.6000108.6L104 F121 R122 L150 T152 P154 E158 E176 W177L104-Y160 HydrophobicContact CD1-CD1 3.75Å; L104-Y160 HydrophobicContact CD1-CD2 3.86Å; L104-Y160 HydrophobicContact CD1-CE1 4.22Å; L104-Y160 HydrophobicContact CD1-CE2 4.33Å; L104-Y160 HydrophobicContact CD1-CG 3.55Å; F121-Y160 CarbonylContact O-C 3.49Å; F121-Y160 VanDerWaalsContact O-CA 3.31Å; F121-Y160 WeakPolarHBondContact O-CA 3.44Å; R122-Y160 HydrophobicContact CB-CD1 4.33Å; R122-Y160 HydrophobicContact CB-CE1 4.28Å; R122-Y160 HydrophobicContact CG-CD1 4.29Å; R122-Y160 HydrophobicContact CG-CE1 3.88Å; L150-Y160 HydrophobicContact CD2-CD1 3.65Å; L150-Y160 HydrophobicContact CD2-CE1 3.85Å; T152-Y160 HydrophobicContact CG2-CE1 3.89Å; T152-Y160 PolarHBondContact OG1-OH 3.47Å; T152-Y160 VanDerWaalsContact OG1-OH 3.09Å; P154-Y160 HydrophobicContact CB-CE2 4.02Å; P154-Y160 HydrophobicContact CG-CE2 4.44Å; E158-Y160 HydrophobicContact CB-CD2 4.41Å; E158-Y160 HydrophobicContact CB-CE2 3.7Å; E158-Y160 PolarHBondContact OE2-OH 2.92Å; Y160-E176 CarbonylContact O-C 3.51Å; Y160-E176 WeakPolarHBondContact O-CA 3.25Å; Y160-W177 AromaticContact CD2-CE3 3.8Å; Y160-W177 HydrophobicContact CD2-CE3 3.8Å; Y160-W177 AromaticContact CD2-CZ3 3.87Å; Y160-W177 HydrophobicContact CD2-CZ3 3.87Å; Y160-W177 HydrophobicContact CE2-CZ3 4.23Å; Y160-W177 HydrophobicContact CG-CE3 4.36Å; Y160-W177 PolarHBondContact N-O 3.31Å; Y160-W177 PolarHBondContact O-N 3.35Å
161T97.7Very high92.7Very high18 Ų1852.6 Ų52.611%0.1131%0.31CS..EExtended strand (participates in β ladder)trans-126.1124.8-178.3-49.40000109.4W120 F121 T174 V175 E176W120-T161 CarbonylContact C-O 3.6Å; F121-T161 PolarHBondContact N-O 2.92Å; F121-T161 PolarHBondContact O-N 3Å; T161-T174 HydrophobicContact CG2-CG2 4.24Å; T161-V175 WeakPolarHBondContact CA-O 3.32Å; T161-E176 HydrophobicContact CG2-CG 4.13Å
162C98.2Very high93Very high0 Ų050.9 Ų50.90%031%0.307CS..EExtended strand (participates in β ladder)trans-90.7120.4164.5-177.60000108.6V90 C106 W120 T174 V175V90-C162 HydrophobicContact CG2-CB 3.61Å; C106-C162 HydrophobicContact CB-CB 3.62Å; C106-C162 WeakPolarHBondContact CB-SG 3.35Å; C106-C162 WeakPolarHBondContact SG-CB 3.04Å; C106-C162 CovalentContact SG-SG 2.02Å; C106-C162 PolarHBondContact SG-SG 3.22Å; W120-C162 HydrophobicContact CE3-CB 4.36Å; W120-C162 HydrophobicContact CH2-CB 4.32Å; W120-C162 HydrophobicContact CZ3-CB 4.18Å; C162-T174 WeakPolarHBondContact O-CA 3.23Å; C162-V175 PolarHBondContact N-O 2.93Å; C162-V175 PolarHBondContact O-N 3.24Å
163Q98.6Very high93.5Very high38 Ų3852.8 Ų52.818%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-108.9130.9176.1-174.617767.200109.8V118 R119 F121 P172 L173 T174V118-Q163 CarbonylContact C-O 3.58Å; V118-Q163 WeakPolarHBondContact CA-O 3.39Å; R119-Q163 PolarHBondContact N-O 2.89Å; R119-Q163 PolarHBondContact O-N 2.92Å; F121-Q163 HydrophobicContact CD2-CB 4.09Å; F121-Q163 HydrophobicContact CE2-CB 3.73Å; F121-Q163 HydrophobicContact CE2-CG 4.43Å; F121-Q163 VanDerWaalsContact CE2-OE1 3.29Å; Q163-P172 HydrophobicContact CG-CB 3.68Å; Q163-L173 CarbonylContact C-O 3.59Å; Q163-L173 VanDerWaalsContact CA-O 3.27Å; Q163-L173 WeakPolarHBondContact CA-O 3.01Å; Q163-T174 HydrophobicContact CB-CG2 4.25Å; Q163-T174 HydrophobicContact CG-CG2 3.97Å
164V98.6Very high94.1Very high0 Ų052.8 Ų52.80%032%0.316CS..EExtended strand (participates in β ladder)trans-123.5122.5-177.5-179.40000109.7P86 V88 V108 I116 E117 V118 P172 L173P86-V164 HydrophobicContact CG-CG1 4.16Å; V88-V164 HydrophobicContact CG1-CG2 4.02Å; V88-V164 HydrophobicContact CG2-CB 4.2Å; V88-V164 HydrophobicContact CG2-CG2 3.75Å; V108-V164 HydrophobicContact CG1-CG1 4.11Å; V108-V164 HydrophobicContact CG1-CG2 4.44Å; V108-V164 HydrophobicContact CG2-CG2 3.81Å; I116-V164 HydrophobicContact CD1-CG1 3.7Å; I116-V164 HydrophobicContact CG1-CG1 3.92Å; E117-V164 CarbonylContact O-C 3.58Å; E117-V164 WeakPolarHBondContact O-CA 3.27Å; V118-V164 HydrophobicContact CG1-CG2 4.21Å; V118-V164 HydrophobicContact CG2-CG1 4.34Å; V118-V164 HydrophobicContact CG2-CG2 4.2Å; V164-P172 CarbonylContact O-C 3.46Å; V164-P172 WeakPolarHBondContact O-CA 3.42Å; V164-L173 HydrophobicContact CB-CB 4.32Å; V164-L173 PolarHBondContact N-O 2.98Å; V164-L173 PolarHBondContact O-N 2.97Å
165E98.6Very high94.8Very high68 Ų6853.7 Ų53.732%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-106128.1170.2-58.7-171.9-169.700109.6I116 E117 R119 P172I116-E165 WeakPolarHBondContact CG1-O 3.32Å; E117-E165 HydrophobicContact CB-CB 4.27Å; E117-E165 PolarHBondContact N-O 2.84Å; E117-E165 PolarHBondContact O-N 3.29Å; R119-E165 IonicContact CZ-OE1 3.42Å; R119-E165 IonicContact NH1-OE1 3.54Å; R119-E165 IonicContact NH2-OE1 3.17Å; R119-E165 PolarHBondContact NH2-OE1 3.24Å; E165-P172 HydrophobicContact CG-CB 4.04Å; E165-P172 HydrophobicContact CG-CG 4.04Å
166H98.6Very high95.5Very high9 Ų952.1 Ų52.14%0.04232%0.321CS..  trans-150140.4-177.4-179.4-105.3000110.6V84 P86 F111 Y112 P113 S115 I116 S168 V169V84-H166 PolarHBondContact O-CE1 2.72Å; P86-H166 HydrophobicContact CG-CB 4.22Å; F111-H166 AromaticContact CD2-CD2 3.9Å; F111-H166 AromaticContact CD2-NE2 3.74Å; Y112-H166 PolarHBondContact O-CE1 2.89Å; P113-H166 PolarHBondContact O-NE2 3.16Å; S115-H166 PolarHBondContact O-CD2 2.75Å; S115-H166 VanDerWaalsContact O-CD2 3.32Å; I116-H166 HydrophobicContact CD1-CB 4.48Å; I116-H166 HydrophobicContact CG1-CB 4.26Å; H166-S168 PolarHBondContact CE1-OG 3.42Å; H166-S168 VanDerWaalsContact ND1-CB 3.27Å; H166-S168 WeakPolarHBondContact ND1-CB 3.43Å; H166-S168 PolarHBondContact ND1-N 2.81Å; H166-S168 PolarHBondContact ND1-OG 3.44Å; H166-S168 PolarHBondContact O-N 2.74Å; H166-V169 HydrophobicContact CB-CG2 4.25Å; H166-V169 WeakPolarHBondContact O-CG2 3.4Å; H166-V169 PolarHBondContact O-N 3.35Å
167P97.8Very high96.1Very high69 Ų6949.6 Ų49.645%0.44830%0.296SS..THydrogen-bonded Turntrans-61.3-8.7-176.9-26.936000116.5P113 S115P113-P167 HydrophobicContact CG-CG 4.47Å; S115-P167 VanDerWaalsContact O-CD 3.29Å; S115-P167 WeakPolarHBondContact O-CD 3.35Å
168S97.8Very high96.3Very high17 Ų1748.9 Ų48.912%0.11928%0.28CS..THydrogen-bonded Turntrans-81.9-17.4174.375.30000113.6H85 H166H85-S168 WeakPolarHBondContact CA-OG 3.4Å; H85-S168 PolarHBondContact CE1-O 2.03Å; H85-S168 PolarHBondContact NE2-O 2.8Å; H85-S168 VanDerWaalsContact NE2-O 3.11Å; H166-S168 PolarHBondContact CE1-OG 3.42Å; H166-S168 VanDerWaalsContact ND1-CB 3.27Å; H166-S168 WeakPolarHBondContact ND1-CB 3.43Å; H166-S168 PolarHBondContact ND1-N 2.81Å; H166-S168 PolarHBondContact ND1-OG 3.44Å; H166-S168 PolarHBondContact O-N 2.74Å
169V97.1Very high95.7Very high28 Ų2848.9 Ų48.917%0.1728%0.284CS..  trans-115.6146.6-176.9-70.40000110.4H85 H166 S171 L173H85-V169 WeakPolarHBondContact CD2-CG1 3.22Å; H166-V169 HydrophobicContact CB-CG2 4.25Å; H166-V169 WeakPolarHBondContact O-CG2 3.4Å; H166-V169 PolarHBondContact O-N 3.35Å; V169-S171 WeakPolarHBondContact CG2-O 3.35Å; V169-L173 HydrophobicContact CG1-CD1 4.15Å; V169-L173 HydrophobicContact CG1-CD2 4.34Å; V169-L173 HydrophobicContact CG1-CG 4.26Å; V169-L173 HydrophobicContact CG2-CG 4.39Å
170T96.4Very high94.5Very high156 Ų15656 Ų5696%0.95731%0.305SS*.SBendtrans-85.8-24.6179.948.40000113.2
171S96.8Very high92.5Very high76 Ų7658.8 Ų58.853%0.53133%0.325SS..SBendtrans-127.7151.717561.80000110.7V169 L173V169-S171 WeakPolarHBondContact CG2-O 3.35Å; S171-L173 PolarHBondContact O-N 2.86Å
172P97.4Very high90.4Very high54 Ų5465.6 Ų65.635%0.35136%0.355SS..  trans-58.4136.7177.7-21.632.2000111.6Q163 V164 E165Q163-P172 HydrophobicContact CG-CB 3.68Å; V164-P172 CarbonylContact O-C 3.46Å; V164-P172 WeakPolarHBondContact O-CA 3.42Å; E165-P172 HydrophobicContact CG-CB 4.04Å; E165-P172 HydrophobicContact CG-CG 4.04Å
173L97.8Very high88.2Confident56 Ų5668 Ų6829%0.29337%0.372SS..EExtended strand (participates in β ladder)trans-82.5129.6172.8-63.4168000108.8P86 V88 Q163 V164 V169 S171P86-L173 HydrophobicContact CG-CD1 3.61Å; V88-L173 HydrophobicContact CG2-CB 4.45Å; V88-L173 HydrophobicContact CG2-CD1 4.19Å; Q163-L173 CarbonylContact C-O 3.59Å; Q163-L173 VanDerWaalsContact CA-O 3.27Å; Q163-L173 WeakPolarHBondContact CA-O 3.01Å; V164-L173 HydrophobicContact CB-CB 4.32Å; V164-L173 PolarHBondContact N-O 2.98Å; V164-L173 PolarHBondContact O-N 2.97Å; V169-L173 HydrophobicContact CG1-CD1 4.15Å; V169-L173 HydrophobicContact CG1-CD2 4.34Å; V169-L173 HydrophobicContact CG1-CG 4.26Å; V169-L173 HydrophobicContact CG2-CG 4.39Å; S171-L173 PolarHBondContact O-N 2.86Å
174T97.4Very high86Confident81 Ų8169 Ų6950%0.49739%0.387SS..EExtended strand (participates in β ladder)trans-122.1125.5179.853.60000110.5T161 C162 Q163T161-T174 HydrophobicContact CG2-CG2 4.24Å; C162-T174 WeakPolarHBondContact O-CA 3.23Å; Q163-T174 HydrophobicContact CB-CG2 4.25Å; Q163-T174 HydrophobicContact CG-CG2 3.97Å
175V97.7Very high84Confident43 Ų4375.2 Ų75.226%0.26142%0.416SS..EExtended strand (participates in β ladder)trans-118.3119172.9179.50000108.7V88 V90 T161 C162V88-V175 HydrophobicContact CB-CG2 3.77Å; V88-V175 HydrophobicContact CG1-CB 4.13Å; V88-V175 HydrophobicContact CG1-CG2 3.56Å; V90-V175 HydrophobicContact CB-CG1 4Å; V90-V175 HydrophobicContact CG2-CB 3.92Å; V90-V175 HydrophobicContact CG2-CG1 3.68Å; T161-V175 WeakPolarHBondContact CA-O 3.32Å; C162-V175 PolarHBondContact N-O 2.93Å; C162-V175 PolarHBondContact O-N 3.24Å
176E96Very high82Confident141 Ų14175.8 Ų75.866%0.65943%0.428SS*.EExtended strand (participates in β ladder)trans-92.4145.9178.6-61.7-171.7163.800111.6V159 Y160 T161V159-E176 HydrophobicContact CG1-CB 4.29Å; V159-E176 HydrophobicContact CG1-CG 4.41Å; Y160-E176 CarbonylContact O-C 3.51Å; Y160-E176 WeakPolarHBondContact O-CA 3.25Å; T161-E176 HydrophobicContact CG2-CG 4.13Å
177W93.4Very high80.1Confident51 Ų5182.5 Ų82.519%0.19346%0.456CS..EExtended strand (participates in β ladder)trans-137.6136.5173.7-177.893.9000109.2V90 P92 L104 P154 Y160 A179V90-W177 HydrophobicContact CB-CB 4.23Å; V90-W177 HydrophobicContact CG1-CB 3.48Å; V90-W177 VanDerWaalsContact CG1-CB 3.48Å; V90-W177 HydrophobicContact CG1-CG 3.88Å; P92-W177 HydrophobicContact CB-CZ2 4.38Å; P92-W177 HydrophobicContact CG-CZ2 4.25Å; L104-W177 HydrophobicContact CD1-CD2 4.38Å; L104-W177 HydrophobicContact CD1-CE3 3.62Å; L104-W177 HydrophobicContact CD1-CZ3 3.75Å; L104-W177 HydrophobicContact CD2-CD2 3.64Å; L104-W177 HydrophobicContact CD2-CE3 3.62Å; L104-W177 HydrophobicContact CD2-CG 4.36Å; L104-W177 HydrophobicContact CD2-CH2 3.83Å; L104-W177 HydrophobicContact CD2-CZ2 3.84Å; L104-W177 HydrophobicContact CD2-CZ3 3.72Å; L104-W177 HydrophobicContact CG-CE3 4.29Å; L104-W177 HydrophobicContact CG-CZ3 4.29Å; P154-W177 HydrophobicContact CB-CH2 3.63Å; P154-W177 HydrophobicContact CB-CZ3 3.56Å; P154-W177 HydrophobicContact CG-CH2 3.64Å; P154-W177 HydrophobicContact CG-CZ3 3.65Å; Y160-W177 AromaticContact CD2-CE3 3.8Å; Y160-W177 HydrophobicContact CD2-CE3 3.8Å; Y160-W177 AromaticContact CD2-CZ3 3.87Å; Y160-W177 HydrophobicContact CD2-CZ3 3.87Å; Y160-W177 HydrophobicContact CE2-CZ3 4.23Å; Y160-W177 HydrophobicContact CG-CE3 4.36Å; Y160-W177 PolarHBondContact N-O 3.31Å; Y160-W177 PolarHBondContact O-N 3.35Å; W177-A179 HydrophobicContact CH2-CB 3.77Å; W177-A179 HydrophobicContact CZ3-CB 4.01Å
178S88.8Confident78.2Confident52 Ų5285.9 Ų85.936%0.36447%0.468SS..EExtended strand (participates in β ladder)trans-132.8142.317852.70000110.5R180S178-R180 VanDerWaalsContact C-N 3.33Å; S178-R180 PolarHBondContact O-N 2.76Å
179A77.1Confident76.4Confident21 Ų2191.9 Ų91.917%0.17450%0.498CS..  trans-74.888.2175.600000109.1P154 W177P154-A179 HydrophobicContact CB-CB 3.64Å; W177-A179 HydrophobicContact CH2-CB 3.77Å; W177-A179 HydrophobicContact CZ3-CB 4.01Å
180R67.2Low75Confident198 Ų19894.9 Ų94.975%0.74752%0.52SS*.  trans-72.9134168.2-70.4-174.1-179.3-174.50.7108.6S178 E182S178-R180 VanDerWaalsContact C-N 3.33Å; S178-R180 PolarHBondContact O-N 2.76Å; R180-E182 PolarHBondContact O-N 3.19Å
181S53Low73.8Confident58 Ų5889.6 Ų89.641%0.40650%0.497SS..  trans-62.6126172.5-179.20000109.5S183 A184S181-S183 PolarHBondContact O-N 2.65Å; S181-S183 VanDerWaalsContact O-N 3.12Å; S181-S183 WeakPolarHBondContact OG-CB 3.24Å; S181-S183 PolarHBondContact OG-N 3.18Å; S181-A184 WeakPolarHBondContact O-CB 3.45Å; S181-A184 PolarHBondContact O-N 2.78Å
182E54.8Low72.8Confident161 Ų16190.1 Ų90.175%0.75250%0.497SS*.Hα-helixtrans-52.7-29.9167.7-74.7-174.8158.300111.2R180 A184 Q185 S186R180-E182 PolarHBondContact O-N 3.19Å; E182-A184 VanDerWaalsContact C-N 3.3Å; E182-A184 PolarHBondContact O-N 3.38Å; E182-Q185 PolarHBondContact O-N 3.13Å; E182-S186 WeakPolarHBondContact O-CB 3.47Å; E182-S186 PolarHBondContact O-N 3.37Å
183S52Low71.6Confident50 Ų5089.2 Ų89.235%0.3550%0.498SS..Hα-helixtrans-60.8-35.7173.8-168.10000112.6S181 K187S181-S183 PolarHBondContact O-N 2.65Å; S181-S183 VanDerWaalsContact O-N 3.12Å; S181-S183 WeakPolarHBondContact OG-CB 3.24Å; S181-S183 PolarHBondContact OG-N 3.18Å; S183-K187 VanDerWaalsContact O-CB 3.25Å; S183-K187 WeakPolarHBondContact O-CB 3.39Å; S183-K187 WeakPolarHBondContact O-CD 3.5Å; S183-K187 WeakPolarHBondContact O-CG 3.26Å; S183-K187 PolarHBondContact O-N 3.46Å; S183-K187 VanDerWaalsContact OG-CE 3.32Å; S183-K187 WeakPolarHBondContact OG-CE 3.2Å; S183-K187 PolarHBondContact OG-NZ 2.91Å
184A52.3Low70.8Confident59 Ų5988.7 Ų88.749%0.48851%0.505SS..Hα-helixtrans-71-40.618000000111.7S181 E182 M188S181-A184 WeakPolarHBondContact O-CB 3.45Å; S181-A184 PolarHBondContact O-N 2.78Å; E182-A184 VanDerWaalsContact C-N 3.3Å; E182-A184 PolarHBondContact O-N 3.38Å; A184-M188 WeakPolarHBondContact O-CB 3.17Å; A184-M188 PolarHBondContact O-N 2.97Å
185Q55.7Low70.2Confident131 Ų13191.9 Ų91.961%0.61251%0.512SS*.Hα-helixtrans-66.5-42.9174.3-86.6179-39.500112.1E182 M188 L189E182-Q185 PolarHBondContact O-N 3.13Å; Q185-M188 PolarHBondContact O-N 3.23Å; Q185-L189 PolarHBondContact O-N 3.34Å; Q185-L189 VanDerWaalsContact O-N 3.11Å
186S56.2Low69.6Low81 Ų8193.5 Ų93.557%0.56652%0.523SS*.Hα-helixtrans-63.2-43.5176.81740000112.4E182 L189 S190E182-S186 WeakPolarHBondContact O-CB 3.47Å; E182-S186 PolarHBondContact O-N 3.37Å; S186-L189 PolarHBondContact O-N 3.28Å; S186-S190 PolarHBondContact O-N 3.3Å; S186-S190 VanDerWaalsContact O-N 3.08Å
187K58.5Low69.2Low149 Ų14991.7 Ų91.765%0.64852%0.517SS*.Hα-helixtrans-66.7-37.2177.4-75.5169.9176.6165.50112.6S183 G191S183-K187 VanDerWaalsContact O-CB 3.25Å; S183-K187 WeakPolarHBondContact O-CB 3.39Å; S183-K187 WeakPolarHBondContact O-CD 3.5Å; S183-K187 WeakPolarHBondContact O-CG 3.26Å; S183-K187 PolarHBondContact O-N 3.46Å; S183-K187 VanDerWaalsContact OG-CE 3.32Å; S183-K187 WeakPolarHBondContact OG-CE 3.2Å; S183-K187 PolarHBondContact OG-NZ 2.91Å; K187-G191 PolarHBondContact O-N 3.07Å
188M58.4Low68.9Low141 Ų14190.8 Ų90.870%0.69552%0.523SS*.Hα-helixtrans-65.9-41.6176-137.3-173.5100.400111.6A184 Q185 G191 V192A184-M188 WeakPolarHBondContact O-CB 3.17Å; A184-M188 PolarHBondContact O-N 2.97Å; Q185-M188 PolarHBondContact O-N 3.23Å; M188-G191 PolarHBondContact O-N 2.81Å; M188-V192 WeakPolarHBondContact O-CG2 3.48Å; M188-V192 PolarHBondContact O-N 3.09Å
189L61Low69.1Low142 Ų14293 Ų9374%0.74353%0.53SS*.Hα-helixtrans-64.7-41.3178-130.483.7000112.1Q185 S186 G193Q185-L189 PolarHBondContact O-N 3.34Å; Q185-L189 VanDerWaalsContact O-N 3.11Å; S186-L189 PolarHBondContact O-N 3.28Å; L189-G193 PolarHBondContact O-N 3.44Å; L189-G193 VanDerWaalsContact O-N 3.11Å
190S67.6Low69.7Low91 Ų9197.3 Ų97.364%0.63655%0.55SS**Hα-helixtrans-66.7-36.4175.7-169.30000112.3S186 G193 G194S186-S190 PolarHBondContact O-N 3.3Å; S186-S190 VanDerWaalsContact O-N 3.08Å; S190-G193 PolarHBondContact O-N 3.38Å; S190-G194 PolarHBondContact O-N 3.23Å; S190-G194 VanDerWaalsContact O-N 3.09Å
191G70.1Confident70.8Confident46 Ų4695.4 Ų95.447%0.47455%0.548SS..Hα-helixtrans-66.4-43177.200000112.9K187 M188 G194 F195K187-G191 PolarHBondContact O-N 3.07Å; M188-G191 PolarHBondContact O-N 2.81Å; G191-G194 PolarHBondContact O-N 2.98Å; G191-F195 PolarHBondContact O-N 2.62Å
192V76Confident72.6Confident86 Ų8698.3 Ų98.352%0.52156%0.558SS.*Hα-helixtrans-64.5-41.9175.7174.70000111M188 G194 F195 V196M188-V192 WeakPolarHBondContact O-CG2 3.48Å; M188-V192 PolarHBondContact O-N 3.09Å; V192-G194 PolarHBondContact O-N 3.48Å; V192-F195 PolarHBondContact O-N 3.17Å; V192-V196 HydrophobicContact CG1-CG2 4.47Å; V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 3.44Å
193G71.9Confident74.3Confident36 Ų3692.7 Ų92.737%0.37154%0.543SS..Hα-helixtrans-58.8-43.7175.100000113L189 S190 L197L189-G193 PolarHBondContact O-N 3.44Å; L189-G193 VanDerWaalsContact O-N 3.11Å; S190-G193 PolarHBondContact O-N 3.38Å; G193-L197 WeakPolarHBondContact O-CG 3.34Å; G193-L197 PolarHBondContact O-N 2.92Å
194G81.4Confident76.1Confident44 Ų4492.7 Ų92.745%0.45455%0.546SS..Hα-helixtrans-65.4-38.9176.200000113.5S190 G191 V192 L197 G198S190-G194 PolarHBondContact O-N 3.23Å; S190-G194 VanDerWaalsContact O-N 3.09Å; G191-G194 PolarHBondContact O-N 2.98Å; V192-G194 PolarHBondContact O-N 3.48Å; G194-L197 PolarHBondContact O-N 3.42Å; G194-G198 PolarHBondContact O-N 2.56Å
195F84.1Confident77.9Confident148 Ų14891.7 Ų91.765%0.64954%0.542SS*.Hα-helixtrans-67.5-41.6179.9-163-99.8000112.4G191 V192 G198 L199G191-F195 PolarHBondContact O-N 2.62Å; V192-F195 PolarHBondContact O-N 3.17Å; F195-G198 PolarHBondContact O-N 3.3Å; F195-L199 HydrophobicContact CD1-CD1 3.83Å; F195-L199 HydrophobicContact CD1-CG 4.3Å; F195-L199 HydrophobicContact CE1-CD1 3.61Å; F195-L199 HydrophobicContact CE1-CG 4.13Å; F195-L199 PolarHBondContact O-N 3.28Å
196V86.6Confident79.5Confident78 Ų7890.3 Ų90.347%0.47354%0.538SS..Hα-helixtrans-63.7-44176.4173.80000110.9V192 G198 L199 L200V192-V196 HydrophobicContact CG1-CG2 4.47Å; V192-V196 WeakPolarHBondContact O-CG2 3.35Å; V192-V196 PolarHBondContact O-N 3.44Å; V196-G198 VanDerWaalsContact C-N 3.35Å; V196-G198 PolarHBondContact O-N 3.28Å; V196-L199 PolarHBondContact O-N 3.36Å; V196-L200 HydrophobicContact CG1-CD1 4.38Å; V196-L200 WeakPolarHBondContact O-CG 3.28Å; V196-L200 PolarHBondContact O-N 3.3Å; V196-L200 VanDerWaalsContact O-N 3.13Å
197L87.3Confident80.9Confident102 Ų10292.8 Ų92.853%0.53454%0.539SS..Hα-helixtrans-61.6-43.2175.2-73.3168.6000111.5G193 G194 L199 L200 F201G193-L197 WeakPolarHBondContact O-CG 3.34Å; G193-L197 PolarHBondContact O-N 2.92Å; G194-L197 PolarHBondContact O-N 3.42Å; L197-L199 PolarHBondContact O-N 2.98Å; L197-L200 PolarHBondContact O-N 3.15Å; L197-F201 WeakPolarHBondContact O-CD2 3.47Å; L197-F201 PolarHBondContact O-N 3.34Å; L197-F201 VanDerWaalsContact O-N 3.14Å
198G87.1Confident82.1Confident32 Ų3291 Ų9133%0.3354%0.535SS..Hα-helixtrans-60-43.2176.800000113.5G194 F195 V196 L200 F201 L202G194-G198 PolarHBondContact O-N 2.56Å; F195-G198 PolarHBondContact O-N 3.3Å; V196-G198 VanDerWaalsContact C-N 3.35Å; V196-G198 PolarHBondContact O-N 3.28Å; G198-L200 PolarHBondContact O-N 3.43Å; G198-F201 PolarHBondContact O-N 3.09Å; G198-L202 WeakPolarHBondContact O-CB 3.47Å; G198-L202 WeakPolarHBondContact O-CG 3.44Å; G198-L202 PolarHBondContact O-N 2.92Å
199L92.3Very high83.4Confident98 Ų9890.8 Ų90.851%0.51353%0.528SS..Hα-helixtrans-65.3-36.7176.8-74.2175.6000112.8F195 V196 L197 L202 G203F195-L199 HydrophobicContact CD1-CD1 3.83Å; F195-L199 HydrophobicContact CD1-CG 4.3Å; F195-L199 HydrophobicContact CE1-CD1 3.61Å; F195-L199 HydrophobicContact CE1-CG 4.13Å; F195-L199 PolarHBondContact O-N 3.28Å; V196-L199 PolarHBondContact O-N 3.36Å; L197-L199 PolarHBondContact O-N 2.98Å; L199-L202 PolarHBondContact O-N 3.48Å; L199-G203 PolarHBondContact O-N 2.91Å
200L90.2Very high84.4Confident113 Ų11389.4 Ų89.459%0.59252%0.516SS*.Hα-helixtrans-63.6-44.8175.7-72.7170.1000111.6V196 L197 G198 G203 A204V196-L200 HydrophobicContact CG1-CD1 4.38Å; V196-L200 WeakPolarHBondContact O-CG 3.28Å; V196-L200 PolarHBondContact O-N 3.3Å; V196-L200 VanDerWaalsContact O-N 3.13Å; L197-L200 PolarHBondContact O-N 3.15Å; G198-L200 PolarHBondContact O-N 3.43Å; L200-G203 PolarHBondContact O-N 3.46Å; L200-A204 WeakPolarHBondContact O-CB 3.29Å; L200-A204 PolarHBondContact O-N 2.92Å
201F90.4Very high84.9Confident158 Ų15893.6 Ų93.669%0.69352%0.517SS*.Hα-helixtrans-66-41.1176.7-78.2-67000112.5L197 G198 A204 G205L197-F201 WeakPolarHBondContact O-CD2 3.47Å; L197-F201 PolarHBondContact O-N 3.34Å; L197-F201 VanDerWaalsContact O-N 3.14Å; G198-F201 PolarHBondContact O-N 3.09Å; F201-A204 PolarHBondContact O-N 3.35Å; F201-G205 PolarHBondContact O-N 3.2Å
202L90.9Very high85Confident119 Ų11997.3 Ų97.362%0.62353%0.526SS*.Hα-helixtrans-62.5-45.2174.9-81.1166000111.8G198 L199 G205 L206G198-L202 WeakPolarHBondContact O-CB 3.47Å; G198-L202 WeakPolarHBondContact O-CG 3.44Å; G198-L202 PolarHBondContact O-N 2.92Å; L199-L202 PolarHBondContact O-N 3.48Å; L202-G205 PolarHBondContact O-N 2.91Å; L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 3.46Å
203G90.3Very high84.6Confident42 Ų4298 Ų9843%0.43352%0.524SS..Hα-helixtrans-61.7-45.6177.200000112.6L199 L200 L206 F207L199-G203 PolarHBondContact O-N 2.91Å; L200-G203 PolarHBondContact O-N 3.46Å; G203-L206 PolarHBondContact O-N 2.77Å; G203-F207 WeakPolarHBondContact O-CB 3.35Å; G203-F207 PolarHBondContact O-N 2.96Å
204A90.2Very high84Confident50 Ų50105.1 Ų105.141%0.41355%0.545SS..Hα-helixtrans-63.2-43.2175.700000112L200 F201 F207 I208L200-A204 WeakPolarHBondContact O-CB 3.29Å; L200-A204 PolarHBondContact O-N 2.92Å; F201-A204 PolarHBondContact O-N 3.35Å; A204-F207 PolarHBondContact O-N 3.03Å; A204-I208 WeakPolarHBondContact O-CG1 3.24Å; A204-I208 PolarHBondContact O-N 3.22Å
205G88.7Confident82.7Confident39 Ų39105.8 Ų105.840%0.40255%0.552SS.*Hα-helixtrans-61-45.9176.100000112.5F201 L202 F207 I208 Y209F201-G205 PolarHBondContact O-N 3.2Å; L202-G205 PolarHBondContact O-N 2.91Å; G205-F207 VanDerWaalsContact C-N 3.35Å; G205-F207 PolarHBondContact O-N 2.82Å; G205-I208 PolarHBondContact O-N 3.44Å; G205-Y209 VanDerWaalsContact O-CB 3.32Å; G205-Y209 WeakPolarHBondContact O-CB 3.33Å; G205-Y209 PolarHBondContact O-N 3.16Å
206L89.4Confident81.1Confident101 Ų101107.2 Ų107.253%0.52956%0.56SS.*Hα-helixtrans-61.4-43.3176-129.483.7000111.3L202 G203 Y209 F210L202-L206 WeakPolarHBondContact O-CB 3.39Å; L202-L206 PolarHBondContact O-N 3.46Å; G203-L206 PolarHBondContact O-N 2.77Å; L206-Y209 PolarHBondContact O-N 3.33Å; L206-F210 HydrophobicContact CD2-CD2 4.32Å; L206-F210 HydrophobicContact CD2-CE2 3.68Å; L206-F210 HydrophobicContact CG-CD2 4.13Å; L206-F210 HydrophobicContact CG-CE2 3.76Å; L206-F210 WeakPolarHBondContact O-CD2 3.07Å; L206-F210 PolarHBondContact O-N 2.93Å
207F85.4Confident79.4Confident133 Ų133108.9 Ų108.958%0.58358%0.575SS**Hα-helixtrans-62.7-43.9179.1-178.2-98.6000112.2G203 A204 G205 R211G203-F207 WeakPolarHBondContact O-CB 3.35Å; G203-F207 PolarHBondContact O-N 2.96Å; A204-F207 PolarHBondContact O-N 3.03Å; G205-F207 VanDerWaalsContact C-N 3.35Å; G205-F207 PolarHBondContact O-N 2.82Å; F207-R211 HydrophobicContact CE1-CG 4.37Å; F207-R211 HydrophobicContact CZ-CG 4.45Å; F207-R211 WeakPolarHBondContact O-CB 3.31Å; F207-R211 PolarHBondContact O-N 3.31Å
208I85.1Confident77.6Confident113 Ų113107.2 Ų107.258%0.57958%0.583SS**Hα-helixtrans-64.3-45.8175.4-66.9169.1000110.3A204 G205 F210 R211 N212A204-I208 WeakPolarHBondContact O-CG1 3.24Å; A204-I208 PolarHBondContact O-N 3.22Å; G205-I208 PolarHBondContact O-N 3.44Å; I208-F210 PolarHBondContact O-N 3.13Å; I208-R211 PolarHBondContact O-N 3.4Å; I208-N212 PolarHBondContact O-N 2.95Å
209Y86.3Confident75.7Confident136 Ų136113.7 Ų113.753%0.53361%0.609SS.*Hα-helixtrans-57.3-48.3178.4177.5-98.7000112.2G205 L206 N212 Q213G205-Y209 VanDerWaalsContact O-CB 3.32Å; G205-Y209 WeakPolarHBondContact O-CB 3.33Å; G205-Y209 PolarHBondContact O-N 3.16Å; L206-Y209 PolarHBondContact O-N 3.33Å; Y209-N212 PolarHBondContact O-N 3.35Å; Y209-Q213 HydrophobicContact CE1-CG 4.35Å; Y209-Q213 PolarHBondContact O-N 3Å; Y209-Q213 PolarHBondContact OH-NE2 3.33Å
210F80.4Confident73.2Confident113 Ų113118.2 Ų118.250%0.49663%0.627SS.*Hα-helixtrans-69.1-33.1177.8-78.3-61.7000113.4L206 I208 N212 K214L206-F210 HydrophobicContact CD2-CD2 4.32Å; L206-F210 HydrophobicContact CD2-CE2 3.68Å; L206-F210 HydrophobicContact CG-CD2 4.13Å; L206-F210 HydrophobicContact CG-CE2 3.76Å; L206-F210 WeakPolarHBondContact O-CD2 3.07Å; L206-F210 PolarHBondContact O-N 2.93Å; I208-F210 PolarHBondContact O-N 3.13Å; F210-N212 VanDerWaalsContact C-N 3.31Å; F210-K214 PolarHBondContact O-N 2.97Å
211R78.3Confident71.2Confident178 Ų178118.1 Ų118.167%0.67263%0.634SS**Hα-helixtrans-62.8-39.1170.3-96.4-176.466.6157-1.7111.7F207 I208 K214F207-R211 HydrophobicContact CE1-CG 4.37Å; F207-R211 HydrophobicContact CZ-CG 4.45Å; F207-R211 WeakPolarHBondContact O-CB 3.31Å; F207-R211 PolarHBondContact O-N 3.31Å; I208-R211 PolarHBondContact O-N 3.4Å; R211-K214 PolarHBondContact O-N 2.93Å
212N72.9Confident69.3Low124 Ų124117.7 Ų117.766%0.66364%0.644SS**Hα-helixtrans-71.8-37-178.6-136.319.9000111.9I208 Y209 F210 K214 G215I208-N212 PolarHBondContact O-N 2.95Å; Y209-N212 PolarHBondContact O-N 3.35Å; F210-N212 VanDerWaalsContact C-N 3.31Å; N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 3.49Å; N212-G215 PolarHBondContact O-N 3.3Å; N212-G215 VanDerWaalsContact O-N 3.12Å
213Q67.8Low66.9Low102 Ų102115.3 Ų115.348%0.47765%0.648SS.*Hα-helixtrans-64.1-34.3173.3-76.9-163.2-28.400113.2Y209 G215 H216Y209-Q213 HydrophobicContact CE1-CG 4.35Å; Y209-Q213 PolarHBondContact O-N 3Å; Y209-Q213 PolarHBondContact OH-NE2 3.33Å; Q213-G215 PolarHBondContact O-N 3.1Å; Q213-H216 PolarHBondContact O-N 3.32Å
214K58.3Low64.6Low185 Ų185122.6 Ų122.680%0.80467%0.668SS**THydrogen-bonded Turntrans-69.4-13.7174.4-77.2-176.9177.1-178.80114F210 R211 N212F210-K214 PolarHBondContact O-N 2.97Å; R211-K214 PolarHBondContact O-N 2.93Å; N212-K214 VanDerWaalsContact C-N 3.33Å; N212-K214 PolarHBondContact O-N 3.49Å
215G54.9Low62.2Low58 Ų58127.5 Ų127.560%0.59869%0.687SS**THydrogen-bonded Turntrans-88.12176.800000115.3N212 Q213N212-G215 PolarHBondContact O-N 3.3Å; N212-G215 VanDerWaalsContact O-N 3.12Å; Q213-G215 PolarHBondContact O-N 3.1Å
216H51.1Low60.1Low177 Ų177134.6 Ų134.682%0.81973%0.73SS**SBendtrans-116.415.4-178.2-91.935.3000114.4Q213Q213-H216 PolarHBondContact O-N 3.32Å
217S49.6Very low58.7Low113 Ų113136.3 Ų136.379%0.7974%0.74SS**SBendtrans-120.273.5174.8-52.50000110.4
218G50.4Low57.3Low67 Ų67136.4 Ų136.469%0.69175%0.748SS**  trans-173.1114.5173.800000113.9
219L47.1Very low55.7Low169 Ų169137.7 Ų137.789%0.88576%0.758SS**  trans90.3106.2164-70139.2000119.2
220Q39.8Very low53.9Low193 Ų193137.8 Ų137.890%0.90277%0.771SS**  -140134.7123.8-133-178.4-5.700110.9
221P48.4Very low52.3Low111 Ų111139.4 Ų139.472%0.72179%0.788SS**  trans-89.4161.6-178.617.6-1.1000113.6
222T50.1Low50.5Low149 Ų149136.8 Ų136.891%0.91480%0.796SS**  trans-59.6149.4174.237.30000116.1
223G39.8Very low48.9Very low69 Ų69137.7 Ų137.771%0.71181%0.805SS**  trans138.6145.6151.900000112.9
224F43.1Very low47.5Very low195 Ų195140.5 Ų140.586%0.85583%0.831SS**  cis-174151.2-16-134.4-85.6000104.2
225L40.3Very low46.6Very low153 Ų153136.8 Ų136.880%0.80183%0.833SS**  trans10.1129.7161.2-60.7167.4000118.2
226S44.4Very low45.8Very low187 Ų187143.9 Ų143.9100%1.30885%0.854SS**  -174.3064.3-1740000110.7

Retrieved 226 of 226 residues in 700.1 ms (Link to these results)

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