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GTPase HRas

Involved in the activation of Ras protein signal transduction1. Ras proteins bind GDP/GTP and possess intrinsic GTPase activity2,3,4.

AlphaFold DB , UniProt , Accession P01112, Species HUMAN (Homo sapiens, Human), Gene HRAS, Length 189 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
1M89.3Confident97.4Very high138 Ų13833.7 Ų33.768%0.6817%0.169SC*.  0128.10177.1170.863.200107.3Q43 T50 L52M1-Q43 HydrophobicContact SD-CG 3.83Å; M1-Q43 PolarHBondContact SD-NE2 3.27Å; M1-T50 HydrophobicContact CG-CG2 4.47Å; M1-T50 WeakPolarHBondContact CG-O 3.38Å; M1-T50 HydrophobicContact SD-CG2 3.79Å; M1-L52 HydrophobicContact CE-CB 3.82Å; M1-L52 HydrophobicContact SD-CB 4.28Å
2T96.6Very high97.2Very high51 Ų5133.3 Ų33.331%0.31318%0.179SC..EExtended strand (participates in β ladder)trans-76.4133.2179.4-49.10000109.6Y4 E49 C51 L52T2-Y4 HydrophobicContact CG2-CE1 4.02Å; T2-Y4 HydrophobicContact CG2-CE2 3.92Å; T2-E49 PolarHBondContact OG1-OE1 3.42Å; T2-C51 CarbonylContact O-C 3.48Å; T2-C51 VanDerWaalsContact O-CA 3.3Å; T2-C51 WeakPolarHBondContact O-CA 3.35Å; T2-C51 VanDerWaalsContact O-CB 3.31Å; T2-C51 WeakPolarHBondContact O-CB 3.48Å; T2-L52 PolarHBondContact O-N 3.07Å
3E98.4Very high97Very high68 Ų6832.7 Ų32.732%0.31819%0.186SC..EExtended strand (participates in β ladder)trans-96.2137.9170.1-176.5176-155.300109R41 L52 D54E3-R41 IonicContact OE1-CZ 3.27Å; E3-R41 VanDerWaalsContact OE1-CZ 3.26Å; E3-R41 IonicContact OE1-NH1 3.57Å; E3-R41 IonicContact OE1-NH2 2.75Å; E3-R41 PolarHBondContact OE1-NH2 2.64Å; E3-L52 CarbonylContact C-O 3.28Å; E3-L52 WeakPolarHBondContact CA-O 3.35Å; E3-L52 HydrophobicContact CB-CB 4.41Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.12Å; E3-L52 HydrophobicContact CG-CG 4.4Å; E3-D54 HydrophobicContact CG-CB 4.12Å
4Y98.7Very high97Very high8 Ų830.4 Ų30.43%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-121118.8176.5-65.9-76.1000109.9T2 L6 C51 L52 L53 D54 E76 V160 I163 R164T2-Y4 HydrophobicContact CG2-CE1 4.02Å; T2-Y4 HydrophobicContact CG2-CE2 3.92Å; Y4-L6 PolarHBondContact O-N 3.23Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.54Å; Y4-L52 PolarHBondContact N-O 2.72Å; Y4-L53 HydrophobicContact CD2-CD2 4.44Å; Y4-D54 PolarHBondContact O-N 3.06Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.37Å; Y4-V160 HydrophobicContact CD1-CG1 4.34Å; Y4-V160 HydrophobicContact CD2-CG1 3.75Å; Y4-V160 HydrophobicContact CD2-CG2 4.19Å; Y4-V160 HydrophobicContact CE1-CG1 4.17Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.15Å; Y4-V160 HydrophobicContact CG-CG2 4.24Å; Y4-I163 HydrophobicContact CD1-CB 4.25Å; Y4-I163 HydrophobicContact CD1-CD1 4.27Å; Y4-I163 HydrophobicContact CD1-CG2 3.8Å; Y4-I163 HydrophobicContact CE1-CB 4.44Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; Y4-R164 HydrophobicContact CE1-CG 4.18Å; Y4-R164 VanDerWaalsContact OH-CG 3.28Å; Y4-R164 WeakPolarHBondContact OH-CG 3.36Å; Y4-R164 PolarHBondContact OH-NE 3.37Å
5K98.7Very high97.1Very high88 Ų8829.4 Ų29.438%0.38317%0.172SC..EExtended strand (participates in β ladder)trans-86.9100.4178.4-63.4-176.6178.7-176.10110.5D54 E76 G77K5-D54 CarbonylContact C-O 3.54Å; K5-D54 WeakPolarHBondContact CA-O 3.36Å; K5-D54 HydrophobicContact CG-CB 4.37Å; K5-E76 HydrophobicContact CB-CB 4.48Å; K5-E76 HydrophobicContact CB-CG 4.19Å; K5-E76 PolarHBondContact N-OE2 3.2Å; K5-E76 PolarHBondContact O-N 3.01Å; K5-G77 PolarHBondContact O-N 3.26Å
6L98.9Very high97.1Very high1 Ų128.2 Ų28.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-99.4139.3-178.4-47.6-173.9000109.5Y4 L53 D54 I55 L56 F156 L159 V160 I163Y4-L6 PolarHBondContact O-N 3.23Å; L6-L53 HydrophobicContact CD1-CB 4.37Å; L6-L53 HydrophobicContact CD1-CD1 4.32Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L6-D54 PolarHBondContact N-O 2.96Å; L6-I55 HydrophobicContact CB-CG1 4.38Å; L6-I55 HydrophobicContact CD1-CG1 4.33Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; L6-L56 PolarHBondContact O-N 3.21Å; L6-F156 HydrophobicContact CD1-CD1 3.89Å; L6-L159 HydrophobicContact CB-CD2 4.18Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.1Å; L6-L159 HydrophobicContact CG-CD2 4.38Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å
7V98.7Very high97.2Very high3 Ų328.1 Ų28.12%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-122.6130.6175.2-175.40000109.4V9 L56 T58 Y71 G77 F78 L79V7-V9 HydrophobicContact CG1-CG1 3.8Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V7-T58 HydrophobicContact CG1-CG2 3.65Å; V7-Y71 HydrophobicContact CG1-CD2 3.67Å; V7-Y71 HydrophobicContact CG1-CE2 4.16Å; V7-Y71 HydrophobicContact CG1-CG 4.24Å; V7-G77 PolarHBondContact N-O 2.75Å; V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.23Å; V7-F78 HydrophobicContact CG1-CE1 4.31Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; V7-L79 PolarHBondContact O-N 2.98Å
8V98.7Very high97.2Very high0 Ų027.5 Ų27.50%016%0.164CC..EExtended strand (participates in β ladder)trans-100.4112178.2-167.70000108.7K16 I55 L56 T58 L79 V81 F156V8-K16 HydrophobicContact CB-CB 4.43Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.16Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; V8-L56 PolarHBondContact N-O 3.24Å; V8-T58 WeakPolarHBondContact O-CG2 3.45Å; V8-T58 PolarHBondContact O-OG1 3.21Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.42Å; V8-V81 HydrophobicContact CG1-CG2 3.58Å; V8-F156 HydrophobicContact CG2-CE1 3.93Å; V8-F156 HydrophobicContact CG2-CZ 4.15Å
9V98.2Very high97.3Very high0 Ų026.1 Ų26.10%016%0.156CC..EExtended strand (participates in β ladder)trans-118159.4-178-58.40000111.5V7 K16 Y71 F78 L79 V81 Y96 I100V7-V9 HydrophobicContact CG1-CG1 3.8Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; V9-Y71 HydrophobicContact CG1-CE2 3.76Å; V9-F78 HydrophobicContact CG1-CD1 4.41Å; V9-L79 WeakPolarHBondContact CG2-O 3.35Å; V9-L79 PolarHBondContact N-O 2.89Å; V9-V81 PolarHBondContact O-N 3.45Å; V9-Y96 HydrophobicContact CB-CD1 3.83Å; V9-Y96 HydrophobicContact CB-CE1 4.18Å; V9-Y96 HydrophobicContact CG2-CD1 4.12Å; V9-Y96 HydrophobicContact CG2-CG 4.38Å; V9-I100 HydrophobicContact CG2-CD1 4.12Å
10G98Very high97.3Very high0 Ų024.8 Ų24.80%015%0.148CC..  trans142.3165.2-178.500000112.3K16 G60 V81 Y96G10-K16 WeakPolarHBondContact O-CE 3.28Å; G10-K16 PolarHBondContact O-NZ 2.75Å; G10-G60 VanDerWaalsContact O-CA 3.29Å; G10-G60 WeakPolarHBondContact O-CA 3.2Å; G10-V81 WeakPolarHBondContact CA-O 3.49Å; G10-Y96 PolarHBondContact O-OH 2.95Å
11A96.8Very high97.2Very high14 Ų1424.9 Ų24.912%0.11615%0.147CC..SBendtrans-56.8164.6-175.900000113.7V14 K16 G60A11-V14 HydrophobicContact CB-CG1 3.98Å; A11-V14 WeakPolarHBondContact O-CG1 3.45Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; A11-K16 PolarHBondContact O-NZ 3.47Å; A11-G60 CarbonylContact C-O 3.58Å
12G95Very high97.6Very high28 Ų2818.8 Ų18.829%0.28912%0.117SC..THydrogen-bonded Turntrans-56.4143.6172.700000112.2V14 G60G12-V14 PolarHBondContact O-N 2.91Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-G60 PolarHBondContact N-O 2.85Å
13G94.8Very high97.7Very high26 Ų2616.5 Ų16.527%0.26810%0.103SC..THydrogen-bonded Turntrans68.94.8173.900000116.9G15 Y32 K117G13-G15 PolarHBondContact O-N 2.89Å; G13-Y32 PolarHBondContact N-OH 3.41Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; G13-K117 VanDerWaalsContact O-CE 3.32Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.31Å
14V97.4Very high97.6Very high1 Ų115 Ų151%0.00610%0.097CC..SBendtrans-72.8-16.3177.5-57.50000113.5A11 G12 K16 V81 A83 N116A11-V14 HydrophobicContact CB-CG1 3.98Å; A11-V14 WeakPolarHBondContact O-CG1 3.45Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; G12-V14 PolarHBondContact O-N 2.91Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.59Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4.01Å; V14-V81 HydrophobicContact CG2-CG1 3.79Å; V14-A83 HydrophobicContact CB-CB 4.26Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; V14-N116 PolarHBondContact O-ND2 2.84Å
15G97.8Very high97.4Very high15 Ų1519.8 Ų19.816%0.15512%0.12CC..SBendtrans9830.3177.300000115.2G13 A18 L19G13-G15 PolarHBondContact O-N 2.89Å; G15-A18 PolarHBondContact O-N 2.97Å; G15-L19 WeakPolarHBondContact O-CG 3.3Å; G15-L19 PolarHBondContact O-N 3.04Å
16K98.1Very high97.1Very high10 Ų1019.8 Ų19.84%0.04312%0.124CC..Hα-helixtrans-54.5-55.4174.6-57-169.7-58.4-73.50111.7V8 V9 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81V8-K16 HydrophobicContact CB-CB 4.43Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.16Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; G10-K16 WeakPolarHBondContact O-CE 3.28Å; G10-K16 PolarHBondContact O-NZ 2.75Å; A11-K16 PolarHBondContact O-NZ 3.47Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.59Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 2.87Å; K16-L19 WeakPolarHBondContact O-CB 3.36Å; K16-L19 PolarHBondContact O-N 2.74Å; K16-T20 PolarHBondContact O-N 2.7Å; K16-T20 PolarHBondContact O-OG1 2.95Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; K16-T58 WeakPolarHBondContact CE-O 3.23Å; K16-T58 PolarHBondContact NZ-O 3.3Å; K16-G60 VanDerWaalsContact NZ-CA 3.31Å; K16-V81 HydrophobicContact CG-CB 4.22Å; K16-V81 HydrophobicContact CG-CG2 4.38Å
17S97.5Very high96.8Very high26 Ų2624.7 Ų24.718%0.18215%0.146CC..Hα-helixtrans-61.5-41.4177.4-38.60000112.3L19 T20 I21 T35 D57S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 2.87Å; S17-T20 PolarHBondContact O-N 3.03Å; S17-I21 WeakPolarHBondContact O-CB 3.46Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.4Å; S17-I21 PolarHBondContact O-N 3.35Å; S17-T35 PolarHBondContact OG-OG1 3.29Å; S17-D57 WeakPolarHBondContact CA-OD2 3.36Å; S17-D57 WeakPolarHBondContact CB-OD2 3.23Å; S17-D57 PolarHBondContact N-OD1 3.04Å; S17-D57 PolarHBondContact OG-OD2 2.88Å
18A97.7Very high96.5Very high18 Ų1827.3 Ų27.315%0.14916%0.158CC..Hα-helixtrans-62.2-39.5176.700000112.3G15 K16 Q22 F28 A146G15-A18 PolarHBondContact O-N 2.97Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 2.87Å; A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 3.44Å; A18-F28 HydrophobicContact CB-CD2 4.37Å; A18-F28 HydrophobicContact CB-CE2 4.12Å; A18-A146 HydrophobicContact CB-CB 3.64Å
19L98.6Very high95.9Very high1 Ų130.1 Ų30.11%0.00518%0.175CC..Hα-helixtrans-66-46.1173.7-72.1171.5000111.5G15 K16 S17 Q22 L23 V81 V114 N116 T144 A146 V152 F156G15-L19 WeakPolarHBondContact O-CG 3.3Å; G15-L19 PolarHBondContact O-N 3.04Å; K16-L19 WeakPolarHBondContact O-CB 3.36Å; K16-L19 PolarHBondContact O-N 2.74Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 2.87Å; L19-Q22 PolarHBondContact O-N 3.14Å; L19-L23 PolarHBondContact O-N 3.42Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.22Å; L19-V114 HydrophobicContact CD1-CG1 4.02Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; L19-T144 HydrophobicContact CD2-CG2 4.41Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.25Å; L19-V152 HydrophobicContact CD2-CG2 3.8Å; L19-F156 HydrophobicContact CB-CE2 4.31Å
20T98Very high95.2Very high0 Ų036.4 Ų36.40%021%0.208CC..Hα-helixtrans-61.7-52.3179-57.80000110.8K16 S17 Q22 L23 I24 Y40 I55 D57K16-T20 PolarHBondContact O-N 2.7Å; K16-T20 PolarHBondContact O-OG1 2.95Å; S17-T20 PolarHBondContact O-N 3.03Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.31Å; T20-L23 WeakPolarHBondContact O-CB 3.36Å; T20-L23 PolarHBondContact O-N 3.45Å; T20-L23 VanDerWaalsContact O-N 3.14Å; T20-I24 HydrophobicContact CG2-CG1 4.21Å; T20-I24 WeakPolarHBondContact O-CG1 3.02Å; T20-I24 PolarHBondContact O-N 3.44Å; T20-Y40 HydrophobicContact CG2-CD2 3.42Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.42Å; T20-Y40 HydrophobicContact CG2-CE2 3.89Å; T20-Y40 HydrophobicContact CG2-CG 3.98Å; T20-I55 HydrophobicContact CG2-CB 4.48Å; T20-I55 HydrophobicContact CG2-CG2 3.88Å; T20-D57 HydrophobicContact CG2-CB 4.47Å
21I96.3Very high94.6Very high26 Ų2644.8 Ų44.813%0.13325%0.247CC..Hα-helixtrans-61.8-41178.9-66.3166.7000110.8S17 L23 I24 Q25 V29S17-I21 WeakPolarHBondContact O-CB 3.46Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.4Å; S17-I21 PolarHBondContact O-N 3.35Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.95Å; I21-I24 PolarHBondContact O-N 3.11Å; I21-Q25 HydrophobicContact CG2-CB 4.29Å; I21-Q25 HydrophobicContact CG2-CG 4.35Å; I21-Q25 WeakPolarHBondContact O-CB 2.97Å; I21-Q25 PolarHBondContact O-N 3.41Å; I21-V29 HydrophobicContact CG2-CG2 4.29Å
22Q97.6Very high93.8Very high11 Ų1150.6 Ų50.65%0.05127%0.267CS..Hα-helixtrans-61.9-40.3176.6-177.467.3-56.800111.5A18 L19 T20 N26 H27 A146 R149 V152A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 3.44Å; L19-Q22 PolarHBondContact O-N 3.14Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.31Å; Q22-N26 VanDerWaalsContact O-CA 3.26Å; Q22-N26 WeakPolarHBondContact O-CA 3.12Å; Q22-N26 PolarHBondContact O-N 3.5Å; Q22-N26 VanDerWaalsContact O-N 3.09Å; Q22-H27 WeakPolarHBondContact CA-O 3.4Å; Q22-H27 PolarHBondContact N-O 3.47Å; Q22-H27 VanDerWaalsContact OE1-C 3.24Å; Q22-H27 PolarHBondContact OE1-O 3.25Å; Q22-A146 WeakPolarHBondContact CG-O 3.43Å; Q22-A146 PolarHBondContact NE2-O 3.16Å; Q22-R149 HydrophobicContact CG-CB 4.3Å; Q22-R149 HydrophobicContact CG-CG 4.24Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.1Å
23L97.9Very high93.4Very high2 Ų255.6 Ų55.61%0.0129%0.288CS..Hα-helixtrans-64.3-48.2172.8179.870.8000111.4L19 T20 I21 K42 L53 I55 V152 E153 F156 Y157L19-L23 PolarHBondContact O-N 3.42Å; T20-L23 WeakPolarHBondContact O-CB 3.36Å; T20-L23 PolarHBondContact O-N 3.45Å; T20-L23 VanDerWaalsContact O-N 3.14Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.95Å; L23-K42 HydrophobicContact CG-CD 4.27Å; L23-K42 PolarHBondContact O-NZ 3.05Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; L23-I55 HydrophobicContact CD2-CD1 3.51Å; L23-V152 HydrophobicContact CB-CG1 3.94Å; L23-E153 HydrophobicContact CD1-CG 3.9Å; L23-F156 HydrophobicContact CB-CD2 4.29Å; L23-F156 HydrophobicContact CB-CE2 4.15Å; L23-F156 HydrophobicContact CD2-CB 3.97Å; L23-F156 HydrophobicContact CD2-CD1 3.89Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.25Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.29Å; L23-F156 HydrophobicContact CG-CD2 4.34Å; L23-Y157 HydrophobicContact CD1-CE1 4.43Å
24I96.2Very high93.3Very high36 Ų3656.8 Ų56.819%0.18529%0.291CS..Hα-helixtrans-73.4-45.6-170.9-61-65000111.9T20 I21 Y40 K42 I55T20-I24 HydrophobicContact CG2-CG1 4.21Å; T20-I24 WeakPolarHBondContact O-CG1 3.02Å; T20-I24 PolarHBondContact O-N 3.44Å; I21-I24 PolarHBondContact O-N 3.11Å; I24-Y40 HydrophobicContact CG1-CD1 4.2Å; I24-Y40 HydrophobicContact CG1-CG 4.07Å; I24-Y40 HydrophobicContact CG2-CD1 4.19Å; I24-K42 HydrophobicContact CD1-CB 3.55Å; I24-K42 HydrophobicContact CD1-CD 4.26Å; I24-K42 HydrophobicContact CD1-CG 4.43Å; I24-I55 HydrophobicContact CD1-CD1 4.11Å
25Q94Very high92.9Very high110 Ų11057.8 Ų57.851%0.51430%0.297SS..Hα-helixtrans-110.8-6.5-167.2-58.2-177.7-1.300113.6I21 H27I21-Q25 HydrophobicContact CG2-CB 4.29Å; I21-Q25 HydrophobicContact CG2-CG 4.35Å; I21-Q25 WeakPolarHBondContact O-CB 2.97Å; I21-Q25 PolarHBondContact O-N 3.41Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.27Å
26N93.7Very high92.4Very high88 Ų8861.4 Ų61.447%0.47131%0.312SS..SBendtrans52.336.5-169.9-53.1-69.1000112.2Q22 R149Q22-N26 VanDerWaalsContact O-CA 3.26Å; Q22-N26 WeakPolarHBondContact O-CA 3.12Å; Q22-N26 PolarHBondContact O-N 3.5Å; Q22-N26 VanDerWaalsContact O-N 3.09Å; N26-R149 PolarHBondContact OD1-NH1 2.99Å; N26-R149 VanDerWaalsContact OD1-NH1 3.16Å; N26-R149 PolarHBondContact OD1-NH2 3.21Å; N26-R149 VanDerWaalsContact OD1-NH2 3.11Å
27H92.3Very high92.1Very high103 Ų10364.5 Ų64.548%0.47733%0.326SS..  trans-132.2143-179.7-175.863.7000110.9Q22 Q25Q22-H27 WeakPolarHBondContact CA-O 3.4Å; Q22-H27 PolarHBondContact N-O 3.47Å; Q22-H27 VanDerWaalsContact OE1-C 3.24Å; Q22-H27 PolarHBondContact OE1-O 3.25Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.27Å
28F91.5Very high92Very high58 Ų5866.7 Ų66.725%0.25434%0.336SS..  trans-108.9122172.9174-101.8000109.6A18 D30 A146 K147A18-F28 HydrophobicContact CB-CD2 4.37Å; A18-F28 HydrophobicContact CB-CE2 4.12Å; F28-D30 HydrophobicContact CE1-CB 3.9Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.47Å; F28-A146 HydrophobicContact CD2-CB 4.04Å; F28-A146 HydrophobicContact CE2-CB 4.15Å; F28-K147 HydrophobicContact CD1-CB 4.41Å; F28-K147 HydrophobicContact CD1-CG 4.19Å; F28-K147 HydrophobicContact CD2-CB 4.24Å; F28-K147 HydrophobicContact CE1-CB 4.3Å; F28-K147 HydrophobicContact CE1-CG 4.13Å; F28-K147 HydrophobicContact CE2-CB 4.12Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 4.15Å; F28-K147 HydrophobicContact CZ-CG 4.44Å
29V86.6Confident92Very high59 Ų5969.4 Ų69.436%0.35835%0.354SS..  trans-95.9118.8174.4-176.10000108.1I21 E31I21-V29 HydrophobicContact CG2-CG2 4.29Å; V29-E31 HydrophobicContact CG1-CB 4.45Å
30D82.8Confident91.9Very high133 Ų13371.6 Ų71.671%0.71136%0.362SS*.  trans-81.3-26.6-176.9-156.423.6000112.3F28F28-D30 HydrophobicContact CE1-CB 3.9Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.47Å
31E86.2Confident91.9Very high175 Ų17578.6 Ų78.682%0.81839%0.388SS*.SBendtrans-73.1133.1175.9-67.8-178.6-174.600111V29V29-E31 HydrophobicContact CG1-CB 4.45Å
32Y79.9Confident92Very high137 Ų13779.3 Ų79.354%0.53739%0.391SS..  trans-98115.4177.1176.7-109.9000110.7G13 P34G13-Y32 PolarHBondContact N-OH 3.41Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; Y32-P34 HydrophobicContact CE1-CB 4.5Å; Y32-P34 HydrophobicContact CE1-CG 3.77Å
33D87.3Confident92Very high133 Ų13384.8 Ų84.871%0.71142%0.416SS*.  trans-115.1123.6166.6-170.610000109.1T35D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.08Å
34P91.6Very high92Very high51 Ų5185.2 Ų85.233%0.33142%0.419SS..  trans-62.9110.7178.7-20.731.1000113.2Y32Y32-P34 HydrophobicContact CE1-CB 4.5Å; Y32-P34 HydrophobicContact CE1-CG 3.77Å
35T89Confident92.1Very high22 Ų2287.8 Ų87.814%0.13544%0.436CS..  trans-64141.1173.1-53.10000112.1S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 3.29Å; D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.08Å; T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.36Å; T35-A59 WeakPolarHBondContact O-CA 3.45Å; T35-A59 WeakPolarHBondContact O-CB 3.43Å
36I88.3Confident92.3Very high91 Ų9182.6 Ų82.647%0.46741%0.412SS..SBendtrans-89.2-62165.6-61.1-179000108.6A59 Y64I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.49Å; I36-A59 PolarHBondContact O-N 2.98Å; I36-Y64 HydrophobicContact CB-CE1 4.5Å; I36-Y64 HydrophobicContact CD1-CE1 4.27Å; I36-Y64 WeakPolarHBondContact CD1-OH 3.28Å; I36-Y64 HydrophobicContact CG1-CE1 4.11Å; I36-Y64 HydrophobicContact CG1-CE2 4.39Å; I36-Y64 HydrophobicContact CG2-CD1 4.1Å; I36-Y64 HydrophobicContact CG2-CE1 3.81Å
37E92.3Very high92.5Very high74 Ų7483.3 Ų83.335%0.34642%0.416SS..EExtended strand (participates in β ladder)trans-164.6131.2174.3-175.1177.291.300108.1L56 D57E37-L56 HydrophobicContact CG-CD1 3.63Å; E37-L56 HydrophobicContact CG-CD2 4.4Å; E37-L56 HydrophobicContact CG-CG 4.1Å; E37-D57 WeakPolarHBondContact CA-O 3.21Å
38D95.3Very high92.7Very high72 Ų7281.8 Ų81.839%0.38543%0.428SS..EExtended strand (participates in β ladder)trans-133.3145.2172.6-76-54.3000110.1T35 Y40 D57T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.36Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; D38-D57 HydrophobicContact CB-CB 4.46Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.77Å
39S96.3Very high93Very high75 Ų7582.5 Ų82.552%0.52443%0.432SS..EExtended strand (participates in β ladder)trans-117.8130.1177.8177.10000110.7I55S39-I55 WeakPolarHBondContact CA-O 3.44Å
40Y97.7Very high93.5Very high47 Ų4782.6 Ų82.618%0.18443%0.433CS..EExtended strand (participates in β ladder)trans-126.9146.3179.9-60.1-90.8000111T20 I24 D38 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.42Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.42Å; T20-Y40 HydrophobicContact CG2-CE2 3.89Å; T20-Y40 HydrophobicContact CG2-CG 3.98Å; I24-Y40 HydrophobicContact CG1-CD1 4.2Å; I24-Y40 HydrophobicContact CG1-CG 4.07Å; I24-Y40 HydrophobicContact CG2-CD1 4.19Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; Y40-I55 PolarHBondContact N-O 2.93Å; Y40-I55 PolarHBondContact O-N 2.98Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
41R97.9Very high94.3Very high147 Ų14776.3 Ų76.356%0.55540%0.399SS*.EExtended strand (participates in β ladder)trans-126.4131.5177.5-71179.8171.1-143.6-16111.1E3 L52 L53 D54E3-R41 IonicContact OE1-CZ 3.27Å; E3-R41 VanDerWaalsContact OE1-CZ 3.26Å; E3-R41 IonicContact OE1-NH1 3.57Å; E3-R41 IonicContact OE1-NH2 2.75Å; E3-R41 PolarHBondContact OE1-NH2 2.64Å; R41-L52 HydrophobicContact CB-CD1 4.27Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; R41-D54 WeakPolarHBondContact CG-OD1 3.44Å; R41-D54 IonicContact CZ-OD1 3.9Å; R41-D54 IonicContact CZ-OD2 3.65Å; R41-D54 IonicContact NE-OD1 2.75Å; R41-D54 PolarHBondContact NE-OD1 3.09Å; R41-D54 IonicContact NE-OD2 3.59Å; R41-D54 VanDerWaalsContact NH2-CG 3.35Å; R41-D54 IonicContact NH2-OD1 3.7Å; R41-D54 IonicContact NH2-OD2 3.74Å; R41-D54 PolarHBondContact NH2-OD2 3.28Å
42K97.5Very high94.8Very high42 Ų4269.6 Ų69.618%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-140.9128176.9-171.6-176.5-176-176.60111.5L23 I24 V44 L53L23-K42 HydrophobicContact CG-CD 4.27Å; L23-K42 PolarHBondContact O-NZ 3.05Å; I24-K42 HydrophobicContact CD1-CB 3.55Å; I24-K42 HydrophobicContact CD1-CD 4.26Å; I24-K42 HydrophobicContact CD1-CG 4.43Å; K42-V44 HydrophobicContact CD-CG1 3.8Å; K42-V44 HydrophobicContact CG-CG1 3.85Å; K42-L53 PolarHBondContact N-O 3.11Å; K42-L53 PolarHBondContact O-N 3.05Å
43Q98.3Very high95.7Very high126 Ų12663 Ų6359%0.58934%0.343SS*.EExtended strand (participates in β ladder)trans-81129.4169.4-173.5176.73000109.7M1 T50 C51M1-Q43 HydrophobicContact SD-CG 3.83Å; M1-Q43 PolarHBondContact SD-NE2 3.27Å; Q43-T50 HydrophobicContact CG-CG2 3.85Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; Q43-C51 WeakPolarHBondContact CA-O 3.26Å
44V97.9Very high96.3Very high11 Ų1157.9 Ų57.97%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-141164.1-179.8-62.50000110.7K42 I46 T50 C51 L53 Y157K42-V44 HydrophobicContact CD-CG1 3.8Å; K42-V44 HydrophobicContact CG-CG1 3.85Å; V44-I46 HydrophobicContact CG2-CD1 3.76Å; V44-I46 HydrophobicContact CG2-CG1 3.84Å; V44-T50 WeakPolarHBondContact O-CA 3.42Å; V44-C51 PolarHBondContact N-O 3.37Å; V44-C51 PolarHBondContact O-N 2.98Å; V44-L53 HydrophobicContact CG1-CD1 4.45Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 4.04Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; V44-Y157 HydrophobicContact CB-CE1 4.26Å; V44-Y157 HydrophobicContact CG1-CE1 4.21Å; V44-Y157 HydrophobicContact CG2-CE1 4.1Å
45V98.1Very high96.6Very high89 Ų8955.4 Ų55.454%0.53930%0.3SS..EExtended strand (participates in β ladder)trans-110.7116172.2-177.80000108.3E49V45-E49 WeakPolarHBondContact CA-O 3.44Å
46I98.2Very high97.1Very high2 Ų255.8 Ų55.81%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-121.6117.1179.8-58.2170.5000108.1V44 G48 E49 L53 Y157 V160 R164V44-I46 HydrophobicContact CG2-CD1 3.76Å; V44-I46 HydrophobicContact CG2-CG1 3.84Å; I46-G48 VanDerWaalsContact C-N 3.29Å; I46-G48 PolarHBondContact O-N 3.3Å; I46-E49 PolarHBondContact N-O 2.86Å; I46-E49 PolarHBondContact O-N 2.88Å; I46-L53 HydrophobicContact CD1-CD2 4.25Å; I46-Y157 HydrophobicContact CD1-CD1 3.42Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.42Å; I46-Y157 HydrophobicContact CD1-CE1 4.04Å; I46-Y157 HydrophobicContact CD1-CG 3.8Å; I46-Y157 HydrophobicContact CG1-CD1 3.74Å; I46-Y157 HydrophobicContact CG1-CD2 4.2Å; I46-Y157 HydrophobicContact CG1-CE1 4.13Å; I46-Y157 HydrophobicContact CG1-CG 3.79Å; I46-V160 HydrophobicContact CD1-CB 3.82Å; I46-V160 HydrophobicContact CD1-CG1 3.89Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; I46-R164 PolarHBondContact O-NH1 3.01Å; I46-R164 PolarHBondContact O-NH2 3.31Å
47D97.2Very high97.4Very high102 Ų10251.4 Ų51.455%0.54528%0.278SS..THydrogen-bonded Turntrans57.140.8-177.9-47.1-37.7000112.5E49 R161 R164D47-E49 PolarHBondContact O-N 3.37Å; D47-R161 IonicContact OD1-CZ 3.57Å; D47-R161 IonicContact OD1-NE 3.26Å; D47-R161 PolarHBondContact OD1-NE 2.9Å; D47-R161 IonicContact OD1-NH2 3.04Å; D47-R161 PolarHBondContact OD1-NH2 3.33Å; D47-R161 WeakPolarHBondContact OD2-CG 3.42Å; D47-R161 IonicContact OD2-CZ 3.83Å; D47-R161 IonicContact OD2-NE 3.66Å; D47-R161 PolarHBondContact OD2-NE 3.13Å; D47-R161 IonicContact OD2-NH2 2.74Å; D47-R164 IonicContact OD2-NH1 2.87Å; D47-R164 PolarHBondContact OD2-NH1 2.56Å
48G96.8Very high97.6Very high72 Ų7248 Ų4874%0.74226%0.262SS*.THydrogen-bonded Turntrans78.7-9.9-179.200000115.1I46I46-G48 VanDerWaalsContact C-N 3.29Å; I46-G48 PolarHBondContact O-N 3.3Å
49E97.1Very high97.5Very high72 Ų7244.8 Ų44.834%0.33625%0.246SC..EExtended strand (participates in β ladder)trans-94.8126.3176.6-172.6-167.2167.700110.7T2 V45 I46 D47 R164T2-E49 PolarHBondContact OG1-OE1 3.42Å; V45-E49 WeakPolarHBondContact CA-O 3.44Å; I46-E49 PolarHBondContact N-O 2.86Å; I46-E49 PolarHBondContact O-N 2.88Å; D47-E49 PolarHBondContact O-N 3.37Å; E49-R164 IonicContact OE2-CZ 3.17Å; E49-R164 VanDerWaalsContact OE2-CZ 3.27Å; E49-R164 IonicContact OE2-NE 3.42Å; E49-R164 PolarHBondContact OE2-NE 3.41Å; E49-R164 IonicContact OE2-NH2 3.56Å; E49-R164 PolarHBondContact OE2-NH2 3.12Å
50T98.2Very high97.1Very high62 Ų6241.7 Ų41.738%0.3823%0.226SC..EExtended strand (participates in β ladder)trans-74.7128170.9-55.30000110M1 Q43 V44M1-T50 HydrophobicContact CG-CG2 4.47Å; M1-T50 WeakPolarHBondContact CG-O 3.38Å; M1-T50 HydrophobicContact SD-CG2 3.79Å; Q43-T50 HydrophobicContact CG-CG2 3.85Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; V44-T50 WeakPolarHBondContact O-CA 3.42Å
51C98.4Very high96.5Very high0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-139.9162.7178.863.50000112.1T2 Y4 Q43 V44T2-C51 CarbonylContact O-C 3.48Å; T2-C51 VanDerWaalsContact O-CA 3.3Å; T2-C51 WeakPolarHBondContact O-CA 3.35Å; T2-C51 VanDerWaalsContact O-CB 3.31Å; T2-C51 WeakPolarHBondContact O-CB 3.48Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.54Å; Q43-C51 WeakPolarHBondContact CA-O 3.26Å; V44-C51 PolarHBondContact N-O 3.37Å; V44-C51 PolarHBondContact O-N 2.98Å
52L98.7Very high95.8Very high34 Ų3440.4 Ų40.418%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-105.3123.1173.5-177.866.6000108.9M1 T2 E3 Y4 R41M1-L52 HydrophobicContact CE-CB 3.82Å; M1-L52 HydrophobicContact SD-CB 4.28Å; T2-L52 PolarHBondContact O-N 3.07Å; E3-L52 CarbonylContact C-O 3.28Å; E3-L52 WeakPolarHBondContact CA-O 3.35Å; E3-L52 HydrophobicContact CB-CB 4.41Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.12Å; E3-L52 HydrophobicContact CG-CG 4.4Å; Y4-L52 PolarHBondContact N-O 2.72Å; R41-L52 HydrophobicContact CB-CD1 4.27Å
53L98.7Very high95.2Very high0 Ų045.4 Ų45.40%025%0.252CS..EExtended strand (participates in β ladder)trans-88.6121.9168.5-49-173.2000108.1Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160Y4-L53 HydrophobicContact CD2-CD2 4.44Å; L6-L53 HydrophobicContact CD1-CB 4.37Å; L6-L53 HydrophobicContact CD1-CD1 4.32Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; K42-L53 PolarHBondContact N-O 3.11Å; K42-L53 PolarHBondContact O-N 3.05Å; V44-L53 HydrophobicContact CG1-CD1 4.45Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 4.04Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; I46-L53 HydrophobicContact CD1-CD2 4.25Å; L53-I55 HydrophobicContact CB-CD1 4.12Å; L53-I55 HydrophobicContact CB-CG1 3.92Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; L53-Y157 HydrophobicContact CD1-CE1 4.35Å; L53-V160 HydrophobicContact CD2-CG2 3.55Å
54D98.5Very high94.5Very high24 Ų2442.8 Ų42.813%0.12824%0.237CC..EExtended strand (participates in β ladder)trans-105.397.4169.5-16922000107.2E3 Y4 K5 L6 R41E3-D54 HydrophobicContact CG-CB 4.12Å; Y4-D54 PolarHBondContact O-N 3.06Å; K5-D54 CarbonylContact C-O 3.54Å; K5-D54 WeakPolarHBondContact CA-O 3.36Å; K5-D54 HydrophobicContact CG-CB 4.37Å; L6-D54 PolarHBondContact N-O 2.96Å; R41-D54 WeakPolarHBondContact CG-OD1 3.44Å; R41-D54 IonicContact CZ-OD1 3.9Å; R41-D54 IonicContact CZ-OD2 3.65Å; R41-D54 IonicContact NE-OD1 2.75Å; R41-D54 PolarHBondContact NE-OD1 3.09Å; R41-D54 IonicContact NE-OD2 3.59Å; R41-D54 VanDerWaalsContact NH2-CG 3.35Å; R41-D54 IonicContact NH2-OD1 3.7Å; R41-D54 IonicContact NH2-OD2 3.74Å; R41-D54 PolarHBondContact NH2-OD2 3.28Å
55I98.8Very high93.9Very high0 Ų044.5 Ų44.50%025%0.25CC..EExtended strand (participates in β ladder)trans-102.7120.5-168.8-52.2178.1000108.7L6 V8 T20 L23 I24 S39 Y40 L53 F156L6-I55 HydrophobicContact CB-CG1 4.38Å; L6-I55 HydrophobicContact CD1-CG1 4.33Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; T20-I55 HydrophobicContact CG2-CB 4.48Å; T20-I55 HydrophobicContact CG2-CG2 3.88Å; L23-I55 HydrophobicContact CD2-CD1 3.51Å; I24-I55 HydrophobicContact CD1-CD1 4.11Å; S39-I55 WeakPolarHBondContact CA-O 3.44Å; Y40-I55 PolarHBondContact N-O 2.93Å; Y40-I55 PolarHBondContact O-N 2.98Å; L53-I55 HydrophobicContact CB-CD1 4.12Å; L53-I55 HydrophobicContact CB-CG1 3.92Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; I55-F156 HydrophobicContact CD1-CD1 3.91Å; I55-F156 HydrophobicContact CD1-CE1 3.77Å; I55-F156 HydrophobicContact CG1-CE1 4.44Å; I55-F156 HydrophobicContact CG2-CE1 3.88Å
56L98.1Very high93.3Very high29 Ų2944.8 Ų44.815%0.15226%0.261CS..EExtended strand (participates in β ladder)trans-97.7114.7169.5-164.775.7000109.8L6 V7 V8 E37 T58 Y71L6-L56 PolarHBondContact O-N 3.21Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V8-L56 PolarHBondContact N-O 3.24Å; E37-L56 HydrophobicContact CG-CD1 3.63Å; E37-L56 HydrophobicContact CG-CD2 4.4Å; E37-L56 HydrophobicContact CG-CG 4.1Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.38Å; L56-Y71 HydrophobicContact CD2-CD1 4.37Å; L56-Y71 HydrophobicContact CD2-CG 4.04Å
57D96.3Very high92.7Very high0 Ų048 Ų480%028%0.277CS..EExtended strand (participates in β ladder)trans-90.7127.9169.4-176.532.2000109.4K16 S17 T20 E37 D38 Y40K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; S17-D57 WeakPolarHBondContact CA-OD2 3.36Å; S17-D57 WeakPolarHBondContact CB-OD2 3.23Å; S17-D57 PolarHBondContact N-OD1 3.04Å; S17-D57 PolarHBondContact OG-OD2 2.88Å; T20-D57 HydrophobicContact CG2-CB 4.47Å; E37-D57 WeakPolarHBondContact CA-O 3.21Å; D38-D57 HydrophobicContact CB-CB 4.46Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.77Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
58T95.9Very high92.5Very high1 Ų143.6 Ų43.61%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-114159-168.378.90000112.7V7 V8 K16 L56 Y71V7-T58 HydrophobicContact CG1-CG2 3.65Å; V8-T58 WeakPolarHBondContact O-CG2 3.45Å; V8-T58 PolarHBondContact O-OG1 3.21Å; K16-T58 WeakPolarHBondContact CE-O 3.23Å; K16-T58 PolarHBondContact NZ-O 3.3Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.38Å; T58-Y71 HydrophobicContact CG2-CD1 3.87Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.69Å; T58-Y71 HydrophobicContact CG2-CE2 4.08Å; T58-Y71 HydrophobicContact CG2-CG 4.09Å
59A93.3Very high92.3Very high5 Ų542.7 Ų42.74%0.04123%0.231CC..  trans-55.2142163.300000111.8T35 I36 Y64T35-A59 WeakPolarHBondContact O-CA 3.45Å; T35-A59 WeakPolarHBondContact O-CB 3.43Å; I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.49Å; I36-A59 PolarHBondContact O-N 2.98Å; A59-Y64 HydrophobicContact CB-CD2 3.6Å; A59-Y64 HydrophobicContact CB-CE2 4.49Å; A59-Y64 HydrophobicContact CB-CG 3.73Å
60G87Confident92.1Very high10 Ų1045.2 Ų45.210%0.10324%0.243CC..  trans-105.40.517000000114.4G10 A11 G12 K16G10-G60 VanDerWaalsContact O-CA 3.29Å; G10-G60 WeakPolarHBondContact O-CA 3.2Å; A11-G60 CarbonylContact C-O 3.58Å; G12-G60 PolarHBondContact N-O 2.85Å; K16-G60 VanDerWaalsContact NZ-CA 3.31Å
61Q85.1Confident91.9Very high65 Ų6542.6 Ų42.630%0.30423%0.226SC..SBendtrans-87.3153.5-179.1-45.5-177.258.700110.4E63 Y64 R68Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 VanDerWaalsContact CB-OE2 3.24Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.34Å; Q61-Y64 HydrophobicContact CB-CD2 4.14Å; Q61-Y64 PolarHBondContact O-N 2.96Å; Q61-R68 PolarHBondContact O-NH2 3.35Å
62E84.4Confident91.8Very high102 Ų10242.6 Ų42.648%0.47723%0.226SC..G310 helixtrans-75.2-24-176.1-72.2-56.4125.500112.5Y64 S65 R68E62-Y64 PolarHBondContact O-N 2.93Å; E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 2.81Å; E62-S65 PolarHBondContact O-OG 2.82Å; E62-R68 IonicContact OE1-CZ 2.74Å; E62-R68 IonicContact OE1-NH1 2.7Å; E62-R68 PolarHBondContact OE1-NH1 3.47Å; E62-R68 IonicContact OE1-NH2 2.93Å; E62-R68 PolarHBondContact OE1-NH2 3.28Å; E62-R68 IonicContact OE2-NH1 3.6Å; E62-R68 IonicContact OE2-NH2 3.93Å
63E84.9Confident91.7Very high147 Ų14748.3 Ų48.369%0.68725%0.245SC*.G310 helixtrans-59.1-27.8175.9-65.380.6177.100111.9Q61Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 VanDerWaalsContact CB-OE2 3.24Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.34Å
64Y83.8Confident91.6Very high71 Ų7152.3 Ų52.328%0.27827%0.269SS..G310 helixtrans-97.812.1176.9-57.8-76.8000112.9I36 A59 Q61 E62 A66 M67I36-Y64 HydrophobicContact CB-CE1 4.5Å; I36-Y64 HydrophobicContact CD1-CE1 4.27Å; I36-Y64 WeakPolarHBondContact CD1-OH 3.28Å; I36-Y64 HydrophobicContact CG1-CE1 4.11Å; I36-Y64 HydrophobicContact CG1-CE2 4.39Å; I36-Y64 HydrophobicContact CG2-CD1 4.1Å; I36-Y64 HydrophobicContact CG2-CE1 3.81Å; A59-Y64 HydrophobicContact CB-CD2 3.6Å; A59-Y64 HydrophobicContact CB-CE2 4.49Å; A59-Y64 HydrophobicContact CB-CG 3.73Å; Q61-Y64 HydrophobicContact CB-CD2 4.14Å; Q61-Y64 PolarHBondContact O-N 2.96Å; E62-Y64 PolarHBondContact O-N 2.93Å; Y64-A66 PolarHBondContact O-N 2.87Å; Y64-M67 HydrophobicContact CD1-SD 4.01Å; Y64-M67 PolarHBondContact O-N 2.88Å
65S84.4Confident91.5Very high48 Ų4851.2 Ų51.234%0.33626%0.264SS..G310 helixtrans-59-30.5-179.8580000113.2E62 M67 R68E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 2.81Å; E62-S65 PolarHBondContact O-OG 2.82Å; S65-M67 PolarHBondContact O-N 3.4Å; S65-R68 WeakPolarHBondContact O-CB 3.48Å; S65-R68 VanDerWaalsContact O-CG 3.26Å; S65-R68 WeakPolarHBondContact O-CG 3.39Å; S65-R68 PolarHBondContact O-N 2.95Å
66A85.3Confident91.5Very high94 Ų9453.9 Ų53.978%0.77728%0.276SS*.G310 helixtrans-66-22.9177.400000113.6Y64Y64-A66 PolarHBondContact O-N 2.87Å
67M86.9Confident91.5Very high70 Ų7052.5 Ų52.535%0.34527%0.269SS..G310 helixtrans-86.2-12.9179.2-63.8176.166.100112.7Y64 S65 D69 Q70Y64-M67 HydrophobicContact CD1-SD 4.01Å; Y64-M67 PolarHBondContact O-N 2.88Å; S65-M67 PolarHBondContact O-N 3.4Å; M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.23Å; M67-Q70 WeakPolarHBondContact O-CB 2.89Å; M67-Q70 PolarHBondContact O-N 3.07Å; M67-Q70 VanDerWaalsContact O-N 3.1Å
68R91.4Very high91.7Very high9 Ų952.5 Ų52.53%0.03427%0.269CS..Hα-helixtrans-60.1-40.3-172.4-58.6-170.8174.3155.74.2113.2Q61 E62 S65 Q70 Y71 M72 Y96Q61-R68 PolarHBondContact O-NH2 3.35Å; E62-R68 IonicContact OE1-CZ 2.74Å; E62-R68 IonicContact OE1-NH1 2.7Å; E62-R68 PolarHBondContact OE1-NH1 3.47Å; E62-R68 IonicContact OE1-NH2 2.93Å; E62-R68 PolarHBondContact OE1-NH2 3.28Å; E62-R68 IonicContact OE2-NH1 3.6Å; E62-R68 IonicContact OE2-NH2 3.93Å; S65-R68 WeakPolarHBondContact O-CB 3.48Å; S65-R68 VanDerWaalsContact O-CG 3.26Å; S65-R68 WeakPolarHBondContact O-CG 3.39Å; S65-R68 PolarHBondContact O-N 2.95Å; R68-Q70 PolarHBondContact O-N 3.04Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.27Å; R68-Y71 HydrophobicContact CB-CE2 4.13Å; R68-Y71 HydrophobicContact CG-CE1 4.27Å; R68-Y71 WeakPolarHBondContact CG-OH 3.26Å; R68-Y71 VanDerWaalsContact O-CD2 3.23Å; R68-Y71 WeakPolarHBondContact O-CD2 3.45Å; R68-Y71 WeakPolarHBondContact O-CE2 3.48Å; R68-Y71 PolarHBondContact O-N 3.13Å; R68-M72 HydrophobicContact CB-CE 4.07Å; R68-M72 HydrophobicContact CB-SD 4.41Å; R68-M72 WeakPolarHBondContact O-CB 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.28Å; R68-M72 PolarHBondContact O-N 2.91Å; R68-Y96 PolarHBondContact NH2-OH 2.88Å; R68-Y96 VanDerWaalsContact NH2-OH 3.1Å
69D93.9Very high91.8Very high53 Ų5352.5 Ų52.528%0.28327%0.269SS..Hα-helixtrans-63.3-28.1-179-75.717.2000112.4M67 R73 Q99 R102 V103M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.23Å; D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.9Å; D69-R73 VanDerWaalsContact O-N 3.13Å; D69-Q99 PolarHBondContact OD1-NE2 3.43Å; D69-R102 IonicContact OD1-NH2 3.99Å; D69-V103 HydrophobicContact CB-CG2 4.04Å; D69-V103 WeakPolarHBondContact O-CG1 3.31Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å
70Q93.4Very high92.1Very high125 Ų12552.3 Ų52.358%0.58427%0.267SS*.Hα-helixtrans-67.1-56.3179.3179.6177.5-43.100111M67 R68 M72 R73 T74M67-Q70 WeakPolarHBondContact O-CB 2.89Å; M67-Q70 PolarHBondContact O-N 3.07Å; M67-Q70 VanDerWaalsContact O-N 3.1Å; R68-Q70 PolarHBondContact O-N 3.04Å; Q70-M72 VanDerWaalsContact C-N 3.33Å; Q70-M72 PolarHBondContact O-N 3.3Å; Q70-R73 WeakPolarHBondContact O-CB 3.2Å; Q70-R73 PolarHBondContact O-N 3.39Å; Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 2.84Å
71Y94Very high92.6Very high8 Ų851.8 Ų51.83%0.03126%0.262CS..Hα-helixtrans-70.8-30.4-178.556.6-118.5000112.9V7 V9 L56 T58 R68 R73 T74 G75V7-Y71 HydrophobicContact CG1-CD2 3.67Å; V7-Y71 HydrophobicContact CG1-CE2 4.16Å; V7-Y71 HydrophobicContact CG1-CG 4.24Å; V9-Y71 HydrophobicContact CG1-CE2 3.76Å; L56-Y71 HydrophobicContact CD2-CD1 4.37Å; L56-Y71 HydrophobicContact CD2-CG 4.04Å; T58-Y71 HydrophobicContact CG2-CD1 3.87Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.69Å; T58-Y71 HydrophobicContact CG2-CE2 4.08Å; T58-Y71 HydrophobicContact CG2-CG 4.09Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.27Å; R68-Y71 HydrophobicContact CB-CE2 4.13Å; R68-Y71 HydrophobicContact CG-CE1 4.27Å; R68-Y71 WeakPolarHBondContact CG-OH 3.26Å; R68-Y71 VanDerWaalsContact O-CD2 3.23Å; R68-Y71 WeakPolarHBondContact O-CD2 3.45Å; R68-Y71 WeakPolarHBondContact O-CE2 3.48Å; R68-Y71 PolarHBondContact O-N 3.13Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.95Å; Y71-T74 PolarHBondContact O-N 2.83Å; Y71-T74 PolarHBondContact O-OG1 2.98Å; Y71-G75 PolarHBondContact O-N 3.37Å
72M96.2Very high93.3Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-66.2-32.4175-71.9178-17700111.4R68 Q70 F78 Y96 Q99 I100 V103 K104R68-M72 HydrophobicContact CB-CE 4.07Å; R68-M72 HydrophobicContact CB-SD 4.41Å; R68-M72 WeakPolarHBondContact O-CB 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.28Å; R68-M72 PolarHBondContact O-N 2.91Å; Q70-M72 VanDerWaalsContact C-N 3.33Å; Q70-M72 PolarHBondContact O-N 3.3Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CB-CZ 4.47Å; M72-F78 HydrophobicContact CG-CE1 4.08Å; M72-F78 WeakPolarHBondContact O-CZ 3.07Å; M72-Y96 HydrophobicContact CE-CD1 4.15Å; M72-Q99 HydrophobicContact CE-CB 4.14Å; M72-Q99 HydrophobicContact CE-CG 4.08Å; M72-Q99 HydrophobicContact SD-CB 3.99Å; M72-Q99 HydrophobicContact SD-CG 3.59Å; M72-Q99 VanDerWaalsContact SD-CG 3.59Å; M72-I100 HydrophobicContact CE-CG1 3.79Å; M72-I100 HydrophobicContact CG-CG1 3.91Å; M72-I100 HydrophobicContact SD-CB 4.44Å; M72-I100 HydrophobicContact SD-CG1 3.72Å; M72-V103 HydrophobicContact CB-CB 4Å; M72-V103 HydrophobicContact CB-CG1 3.74Å; M72-V103 HydrophobicContact CB-CG2 4.34Å; M72-V103 HydrophobicContact SD-CG2 4.42Å; M72-K104 WeakPolarHBondContact O-CE 3.34Å; M72-K104 PolarHBondContact O-NZ 2.93Å; M72-K104 VanDerWaalsContact O-NZ 3.11Å
73R96.6Very high94Very high154 Ų15443.9 Ų43.958%0.58123%0.226SC*.Hα-helixtrans-66.4-41.7175.2-163.8-178.9-50-72.8-6.8111.7D69 Q70 Y71 V103 K104D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.9Å; D69-R73 VanDerWaalsContact O-N 3.13Å; Q70-R73 WeakPolarHBondContact O-CB 3.2Å; Q70-R73 PolarHBondContact O-N 3.39Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.95Å; R73-V103 HydrophobicContact CB-CG1 4.02Å; R73-K104 PolarHBondContact O-NZ 3.34Å
74T94.8Very high94.6Very high83 Ų8336.9 Ų36.951%0.50919%0.193SC..Hα-helixtrans-88-25.2-173.954.20000114.9Q70 Y71Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 2.84Å; Y71-T74 PolarHBondContact O-N 2.83Å; Y71-T74 PolarHBondContact O-OG1 2.98Å
75G98Very high95.3Very high1 Ų136.1 Ų36.11%0.0119%0.193CC..  trans-68136.5-17900000113.5Y71 K104Y71-G75 PolarHBondContact O-N 3.37Å; G75-K104 WeakPolarHBondContact O-CE 3.33Å; G75-K104 PolarHBondContact O-NZ 3.25Å
76E98.4Very high96Very high57 Ų5736.7 Ų36.727%0.26619%0.193SC..SBendtrans-86.7-26.5176-70178.5110.400112.9Y4 K5 I163 K167Y4-E76 WeakPolarHBondContact CA-OE2 3.37Å; K5-E76 HydrophobicContact CB-CB 4.48Å; K5-E76 HydrophobicContact CB-CG 4.19Å; K5-E76 PolarHBondContact N-OE2 3.2Å; K5-E76 PolarHBondContact O-N 3.01Å; E76-I163 HydrophobicContact CB-CD1 4.04Å; E76-I163 HydrophobicContact CB-CG1 4.42Å; E76-I163 HydrophobicContact CB-CG2 4.21Å; E76-K167 VanDerWaalsContact OE1-CE 3.23Å; E76-K167 WeakPolarHBondContact OE1-CE 3.44Å; E76-K167 IonicContact OE1-NZ 3.47Å; E76-K167 PolarHBondContact OE1-NZ 2.76Å
77G98.8Very high96.6Very high0 Ų034.6 Ų34.60%017%0.17CC..EExtended strand (participates in β ladder)trans-154159.2172.900000112.3K5 V7 P110K5-G77 PolarHBondContact O-N 3.26Å; V7-G77 PolarHBondContact N-O 2.75Å; G77-P110 CarbonylContact C-O 3.56Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å
78F98.9Very high97.2Very high0 Ų036.5 Ų36.50%018%0.177CC..EExtended strand (participates in β ladder)trans-125.7129-170.5-53.9-93.2000112.7V7 V9 M72 I100 V109 P110 M111 V112V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.23Å; V7-F78 HydrophobicContact CG1-CE1 4.31Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; V9-F78 HydrophobicContact CG1-CD1 4.41Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CB-CZ 4.47Å; M72-F78 HydrophobicContact CG-CE1 4.08Å; M72-F78 WeakPolarHBondContact O-CZ 3.07Å; F78-I100 HydrophobicContact CB-CD1 3.79Å; F78-I100 HydrophobicContact CD1-CD1 3.76Å; F78-I100 HydrophobicContact CD1-CG1 4.01Å; F78-I100 HydrophobicContact CD2-CD1 4.17Å; F78-I100 HydrophobicContact CD2-CG1 4.43Å; F78-I100 HydrophobicContact CD2-CG2 3.67Å; F78-I100 HydrophobicContact CE1-CD1 4.47Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.61Å; F78-I100 HydrophobicContact CG-CG1 4.14Å; F78-I100 HydrophobicContact CG-CG2 4.22Å; F78-I100 HydrophobicContact CZ-CG2 4.13Å; F78-V109 HydrophobicContact CD2-CG1 3.81Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; F78-P110 PolarHBondContact N-O 2.76Å; F78-M111 HydrophobicContact CB-CG 4.12Å; F78-M111 HydrophobicContact CD2-CG 4.35Å; F78-M111 CarbonylContact O-C 3.53Å; F78-M111 WeakPolarHBondContact O-CA 3.39Å; F78-V112 PolarHBondContact O-N 2.98Å
79L98.9Very high97.5Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-85.9116.2160.7-68.4-171.6000108.2V7 V8 V9 V81 V112 V114 A155 F156 L159V7-L79 PolarHBondContact O-N 2.98Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.42Å; V9-L79 WeakPolarHBondContact CG2-O 3.35Å; V9-L79 PolarHBondContact N-O 2.89Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; L79-V112 HydrophobicContact CD2-CB 3.78Å; L79-V112 HydrophobicContact CD2-CG1 4.29Å; L79-V112 HydrophobicContact CD2-CG2 4.44Å; L79-V114 HydrophobicContact CB-CG2 4.34Å; L79-V114 HydrophobicContact CD2-CG2 3.9Å; L79-A155 HydrophobicContact CD1-CB 4.46Å; L79-A155 HydrophobicContact CD2-CB 4.43Å; L79-F156 HydrophobicContact CD1-CD1 3.61Å; L79-F156 HydrophobicContact CD1-CD2 4.01Å; L79-F156 HydrophobicContact CD1-CE1 3.45Å; L79-F156 VanDerWaalsContact CD1-CE1 3.45Å; L79-F156 HydrophobicContact CD1-CE2 3.88Å; L79-F156 HydrophobicContact CD1-CG 3.89Å; L79-F156 HydrophobicContact CD1-CZ 3.6Å; L79-F156 HydrophobicContact CG-CE1 4.49Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.81Å
80C98.8Very high97.8Very high1 Ų134.2 Ų34.21%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-95.997176.7-64.70000108.5I93 V112 L113 V114C80-I93 HydrophobicContact CB-CD1 4.17Å; C80-I93 HydrophobicContact CB-CG2 4.26Å; C80-V112 PolarHBondContact N-O 3.27Å; C80-L113 HydrophobicContact CB-CD1 4.46Å; C80-V114 PolarHBondContact O-N 3.11Å
81V98.9Very high98Very high0 Ų033.8 Ų33.80%016%0.163CC..EExtended strand (participates in β ladder)trans-98.5127.3-168.8-169.20000111.3V8 V9 G10 V14 K16 L19 L79 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.58Å; V9-V81 PolarHBondContact O-N 3.45Å; G10-V81 WeakPolarHBondContact CA-O 3.49Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4.01Å; V14-V81 HydrophobicContact CG2-CG1 3.79Å; K16-V81 HydrophobicContact CG-CB 4.22Å; K16-V81 HydrophobicContact CG-CG2 4.38Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.22Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; V81-V114 WeakPolarHBondContact CA-O 3.33Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; V81-N116 HydrophobicContact CG1-CB 3.97Å
82F98.9Very high98.2Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-121.5165.6163.573.3-83.8000109.5I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 Y141F82-I84 HydrophobicContact CE2-CG2 4.13Å; F82-S89 WeakPolarHBondContact CB-O 3.47Å; F82-F90 HydrophobicContact CB-CB 4.23Å; F82-F90 AromaticContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD2-CB 3.73Å; F82-F90 AromaticContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CG 4.25Å; F82-F90 AromaticContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CE2 4.17Å; F82-F90 HydrophobicContact CE2-CB 4.27Å; F82-F90 AromaticContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CG 4.37Å; F82-F90 HydrophobicContact CG-CB 3.99Å; F82-F90 AromaticContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CG 4.47Å; F82-F90 AromaticContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CE2 4.19Å; F82-I93 HydrophobicContact CB-CD1 4.14Å; F82-I93 HydrophobicContact CB-CG1 4.14Å; F82-I93 HydrophobicContact CD1-CG1 4.37Å; F82-L113 HydrophobicContact CD1-CD1 3.83Å; F82-L113 HydrophobicContact CD1-CG 4.35Å; F82-L113 HydrophobicContact CE1-CD1 3.93Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.94Å; F82-V114 WeakPolarHBondContact CD1-O 3.46Å; F82-V114 PolarHBondContact N-O 2.75Å; F82-G115 VanDerWaalsContact CE1-CA 3.45Å; F82-G115 VanDerWaalsContact CZ-CA 3.44Å; F82-N116 PolarHBondContact O-N 3.16Å; F82-V125 HydrophobicContact CD2-CG2 4.49Å; F82-V125 HydrophobicContact CE2-CB 3.94Å; F82-V125 HydrophobicContact CE2-CG1 3.71Å; F82-V125 HydrophobicContact CE2-CG2 4.29Å; F82-V125 HydrophobicContact CZ-CG1 4.16Å; F82-A130 HydrophobicContact CE1-CB 4.19Å; F82-A130 HydrophobicContact CZ-CB 3.69Å; F82-Y141 AromaticContact CE1-CE2 3.83Å; F82-Y141 HydrophobicContact CE1-CE2 3.83Å; F82-Y141 AromaticContact CZ-CE2 3.9Å; F82-Y141 HydrophobicContact CZ-CE2 3.9Å
83A98.8Very high98.3Very high1 Ų134.1 Ų34.11%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-102.4133.6170.700000110V14 N85 N86 S89 N116 K117V14-A83 HydrophobicContact CB-CB 4.26Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; A83-N85 WeakPolarHBondContact CB-OD1 3.3Å; A83-N85 PolarHBondContact O-N 3.11Å; A83-N86 HydrophobicContact CB-CB 4.28Å; A83-N86 PolarHBondContact O-N 3.33Å; A83-S89 PolarHBondContact N-OG 3.48Å; A83-S89 VanDerWaalsContact N-OG 3.1Å; A83-N116 WeakPolarHBondContact CA-O 3.36Å; A83-K117 HydrophobicContact CB-CD 3.93Å; A83-K117 HydrophobicContact CB-CG 4.17Å
84I98.8Very high98.4Very high0 Ų031.2 Ų31.20%016%0.158CC..THydrogen-bonded Turntrans-62.2-16.9-176.361.7140.5000113.7F82 N116 K117 R123 T124 V125F82-I84 HydrophobicContact CE2-CG2 4.13Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.47Å; I84-K117 WeakPolarHBondContact CD1-O 3.45Å; I84-K117 VanDerWaalsContact CG1-O 3.27Å; I84-K117 WeakPolarHBondContact CG1-O 3.35Å; I84-R123 HydrophobicContact CD1-CB 4.07Å; I84-R123 HydrophobicContact CD1-CG 4.19Å; I84-T124 PolarHBondContact O-N 3.04Å; I84-V125 PolarHBondContact O-N 3.42Å
85N98.5Very high98.4Very high54 Ų5432.6 Ų32.629%0.28916%0.158SC..THydrogen-bonded Turntrans-97.911.1176.473.3-35000113.6A83 L120 A122 T124A83-N85 WeakPolarHBondContact CB-OD1 3.3Å; A83-N85 PolarHBondContact O-N 3.11Å; N85-L120 HydrophobicContact CB-CD1 4.45Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.36Å; N85-A122 VanDerWaalsContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CB-O 3.5Å; N85-T124 VanDerWaalsContact C-OG1 3.29Å
86N98.4Very high98.4Very high61 Ų6132.7 Ų32.733%0.32616%0.158SC..  trans-138.195.3-179.2-178.1-18000110.6A83 K88 S89 F90 T124A83-N86 HydrophobicContact CB-CB 4.28Å; A83-N86 PolarHBondContact O-N 3.33Å; N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.3Å; N86-K88 PolarHBondContact OD1-N 3.28Å; N86-S89 WeakPolarHBondContact CB-OG 3.47Å; N86-S89 PolarHBondContact O-N 3.22Å; N86-S89 PolarHBondContact O-OG 2.98Å; N86-S89 PolarHBondContact OD1-N 2.91Å; N86-F90 PolarHBondContact O-N 3.1Å; N86-T124 PolarHBondContact N-OG1 3.06Å
87T98.5Very high98.4Very high49 Ų4931.6 Ų31.630%0.30115%0.152SC..Hα-helixtrans-59.7-38.9-179.7-54.10000112.9S89 F90 E91 T124T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.34Å; T87-F90 WeakPolarHBondContact O-CB 3.5Å; T87-F90 PolarHBondContact O-N 3.49Å; T87-F90 VanDerWaalsContact O-N 3.08Å; T87-E91 WeakPolarHBondContact O-CG 3.22Å; T87-E91 PolarHBondContact O-N 3.4Å; T87-T124 PolarHBondContact N-OG1 3.33Å; T87-T124 VanDerWaalsContact OG1-CB 3.29Å; T87-T124 WeakPolarHBondContact OG1-CB 3.41Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 3.34Å
88K98.4Very high98.3Very high111 Ų11134.9 Ų34.948%0.48317%0.167SC..Hα-helixtrans-61.2-40.9177.5-179.258.4167.771.50111.8N86 F90 E91 D92N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.3Å; N86-K88 PolarHBondContact OD1-N 3.28Å; K88-F90 PolarHBondContact O-N 3.26Å; K88-E91 PolarHBondContact O-N 2.77Å; K88-D92 IonicContact NZ-OD1 3.77Å; K88-D92 PolarHBondContact NZ-OD1 3.24Å; K88-D92 IonicContact NZ-OD2 3.84Å; K88-D92 PolarHBondContact NZ-OD2 3.34Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.98Å
89S98.5Very high98.2Very high1 Ų136.2 Ų36.21%0.00717%0.174CC..Hα-helixtrans-64-28.3177.474.70000113.3F82 A83 N86 T87F82-S89 WeakPolarHBondContact CB-O 3.47Å; A83-S89 PolarHBondContact N-OG 3.48Å; A83-S89 VanDerWaalsContact N-OG 3.1Å; N86-S89 WeakPolarHBondContact CB-OG 3.47Å; N86-S89 PolarHBondContact O-N 3.22Å; N86-S89 PolarHBondContact O-OG 2.98Å; N86-S89 PolarHBondContact OD1-N 2.91Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.34Å
90F98.8Very high98.2Very high13 Ų1336.2 Ų36.26%0.05717%0.174CC..Hα-helixtrans-75.1-41.7174.1174.9-108.7000111.8F82 N86 T87 K88 D92 I93 L113 V125 Q129 A130 L133F82-F90 HydrophobicContact CB-CB 4.23Å; F82-F90 AromaticContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD2-CB 3.73Å; F82-F90 AromaticContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CG 4.25Å; F82-F90 AromaticContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CE2 4.17Å; F82-F90 HydrophobicContact CE2-CB 4.27Å; F82-F90 AromaticContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CG 4.37Å; F82-F90 HydrophobicContact CG-CB 3.99Å; F82-F90 AromaticContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CG 4.47Å; F82-F90 AromaticContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CE2 4.19Å; N86-F90 PolarHBondContact O-N 3.1Å; T87-F90 WeakPolarHBondContact O-CB 3.5Å; T87-F90 PolarHBondContact O-N 3.49Å; T87-F90 VanDerWaalsContact O-N 3.08Å; K88-F90 PolarHBondContact O-N 3.26Å; F90-D92 VanDerWaalsContact C-N 3.27Å; F90-D92 PolarHBondContact O-N 2.65Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.34Å; F90-I93 WeakPolarHBondContact O-CG1 3.2Å; F90-I93 PolarHBondContact O-N 2.88Å; F90-L113 HydrophobicContact CE2-CD2 4.33Å; F90-V125 HydrophobicContact CB-CG1 4.31Å; F90-V125 HydrophobicContact CB-CG2 3.77Å; F90-V125 HydrophobicContact CD1-CG1 3.94Å; F90-V125 HydrophobicContact CD1-CG2 4.34Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.19Å; F90-V125 HydrophobicContact CE2-CG1 4.14Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.1Å; F90-V125 HydrophobicContact CZ-CG1 4.27Å; F90-Q129 HydrophobicContact CE1-CG 3.9Å; F90-Q129 HydrophobicContact CZ-CG 4.11Å; F90-A130 HydrophobicContact CE2-CB 3.76Å; F90-A130 HydrophobicContact CZ-CB 4.29Å; F90-L133 HydrophobicContact CD2-CD2 4.3Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.31Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.88Å; F90-L133 HydrophobicContact CZ-CD2 3.44Å; F90-L133 VanDerWaalsContact CZ-CD2 3.44Å; F90-L133 HydrophobicContact CZ-CG 4.25Å
91E98.4Very high98.2Very high115 Ų11537.4 Ų37.454%0.53718%0.179SC..Hα-helixtrans-60.9-38.1174.2-67167.2177.700111.8T87 K88 I93 H94T87-E91 WeakPolarHBondContact O-CG 3.22Å; T87-E91 PolarHBondContact O-N 3.4Å; K88-E91 PolarHBondContact O-N 2.77Å; E91-I93 PolarHBondContact O-N 3.19Å; E91-H94 PolarHBondContact O-N 3.14Å
92D97.7Very high98.1Very high15 Ų1545.2 Ų45.28%0.0821%0.208CC..THydrogen-bonded Turntrans-66.2-20.3-179.2-72-23000114K88 F90 H94 Q95 Y96K88-D92 IonicContact NZ-OD1 3.77Å; K88-D92 PolarHBondContact NZ-OD1 3.24Å; K88-D92 IonicContact NZ-OD2 3.84Å; K88-D92 PolarHBondContact NZ-OD2 3.34Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.98Å; F90-D92 VanDerWaalsContact C-N 3.27Å; F90-D92 PolarHBondContact O-N 2.65Å; D92-H94 PolarHBondContact O-N 2.76Å; D92-H94 VanDerWaalsContact O-N 3.16Å; D92-Q95 WeakPolarHBondContact O-CB 3.26Å; D92-Q95 PolarHBondContact O-N 2.67Å; D92-Y96 HydrophobicContact CB-CE2 4.39Å; D92-Y96 VanDerWaalsContact O-CD2 3.32Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 3.16Å
93I98.5Very high98Very high1 Ų146 Ų461%0.00521%0.213CC..Hα-helixtrans-54.5-36.3175.7-63.9-55.7000111.5C80 F82 F90 E91 Q95 Y96 R97 L113 Y137C80-I93 HydrophobicContact CB-CD1 4.17Å; C80-I93 HydrophobicContact CB-CG2 4.26Å; F82-I93 HydrophobicContact CB-CD1 4.14Å; F82-I93 HydrophobicContact CB-CG1 4.14Å; F82-I93 HydrophobicContact CD1-CG1 4.37Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.34Å; F90-I93 WeakPolarHBondContact O-CG1 3.2Å; F90-I93 PolarHBondContact O-N 2.88Å; E91-I93 PolarHBondContact O-N 3.19Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.39Å; I93-Y96 PolarHBondContact O-N 3.32Å; I93-R97 WeakPolarHBondContact O-CB 3.39Å; I93-R97 PolarHBondContact O-N 2.62Å; I93-L113 HydrophobicContact CB-CD1 4.44Å; I93-L113 HydrophobicContact CD1-CD1 4.36Å; I93-L113 HydrophobicContact CG1-CD1 4Å; I93-L113 HydrophobicContact CG2-CD1 3.72Å; I93-Y137 HydrophobicContact CG2-CE2 4.3Å
94H98.1Very high98Very high93 Ų9348.9 Ų48.943%0.43123%0.225SC..Hα-helixtrans-59.6-43.4178.1-177.651.6000111.5E91 D92 R97 E98 Y137E91-H94 PolarHBondContact O-N 3.14Å; D92-H94 PolarHBondContact O-N 2.76Å; D92-H94 VanDerWaalsContact O-N 3.16Å; H94-R97 PolarHBondContact O-N 2.93Å; H94-E98 IonicContact CE1-OE1 3.73Å; H94-E98 IonicContact ND1-OE1 2.75Å; H94-E98 WeakPolarHBondContact O-CG 3.47Å; H94-E98 PolarHBondContact O-N 3.01Å; H94-Y137 PolarHBondContact ND1-OH 2.84Å; H94-Y137 VanDerWaalsContact ND1-OH 3.14Å
95Q96.2Very high97.9Very high111 Ų11156.1 Ų56.152%0.51926%0.264SS..Hα-helixtrans-66.2-44.3179.7-60.3-177.75.900111.7D92 I93 R97 E98 Q99D92-Q95 WeakPolarHBondContact O-CB 3.26Å; D92-Q95 PolarHBondContact O-N 2.67Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.39Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 3.41Å; Q95-E98 PolarHBondContact O-N 2.77Å; Q95-Q99 WeakPolarHBondContact O-CB 3.26Å; Q95-Q99 PolarHBondContact O-N 3.17Å
96Y97.3Very high97.7Very high3 Ų355.4 Ų55.41%0.01226%0.263CS..Hα-helixtrans-59.7-44.4175-77.7-78.7000111.5V9 G10 R68 M72 D92 I93 Q99 I100V9-Y96 HydrophobicContact CB-CD1 3.83Å; V9-Y96 HydrophobicContact CB-CE1 4.18Å; V9-Y96 HydrophobicContact CG2-CD1 4.12Å; V9-Y96 HydrophobicContact CG2-CG 4.38Å; G10-Y96 PolarHBondContact O-OH 2.95Å; R68-Y96 PolarHBondContact NH2-OH 2.88Å; R68-Y96 VanDerWaalsContact NH2-OH 3.1Å; M72-Y96 HydrophobicContact CE-CD1 4.15Å; D92-Y96 HydrophobicContact CB-CE2 4.39Å; D92-Y96 VanDerWaalsContact O-CD2 3.32Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 3.16Å; I93-Y96 PolarHBondContact O-N 3.32Å; Y96-Q99 PolarHBondContact O-N 3.11Å; Y96-I100 WeakPolarHBondContact O-CD1 3.25Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.42Å; Y96-I100 PolarHBondContact O-N 3.5Å
97R98Very high97.5Very high34 Ų3458.5 Ų58.513%0.12828%0.28CS..Hα-helixtrans-60.3-50.8177.7177.7-179.1179-89.37111.9I93 H94 Q95 Q99 I100 K101 M111 Y137I93-R97 WeakPolarHBondContact O-CB 3.39Å; I93-R97 PolarHBondContact O-N 2.62Å; H94-R97 PolarHBondContact O-N 2.93Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 3.41Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.92Å; R97-I100 PolarHBondContact O-N 2.96Å; R97-K101 HydrophobicContact CG-CD 4.07Å; R97-K101 WeakPolarHBondContact O-CG 2.86Å; R97-K101 PolarHBondContact O-N 2.92Å; R97-M111 HydrophobicContact CG-CE 4.05Å; R97-M111 HydrophobicContact CG-SD 4.12Å; R97-Y137 VanDerWaalsContact CD-CD2 3.45Å
98E97.7Very high97.3Very high69 Ų6959.5 Ų59.532%0.32228%0.283SS..Hα-helixtrans-63.5-36.9-179.5-66.7-44.8118.600111.7H94 Q95 K101 R102H94-E98 IonicContact CE1-OE1 3.73Å; H94-E98 IonicContact ND1-OE1 2.75Å; H94-E98 WeakPolarHBondContact O-CG 3.47Å; H94-E98 PolarHBondContact O-N 3.01Å; Q95-E98 PolarHBondContact O-N 2.77Å; E98-K101 PolarHBondContact O-N 3.21Å; E98-K101 IonicContact OE2-NZ 2.56Å; E98-R102 VanDerWaalsContact O-CB 3.31Å; E98-R102 WeakPolarHBondContact O-CB 3.07Å; E98-R102 PolarHBondContact O-N 3.48Å
99Q97Very high97.3Very high29 Ų2954.7 Ų54.714%0.13626%0.263CS..Hα-helixtrans-64.3-45.4174.8-166.91745.700111.8D69 M72 Q95 Y96 R97 K101 R102 V103D69-Q99 PolarHBondContact OD1-NE2 3.43Å; M72-Q99 HydrophobicContact CE-CB 4.14Å; M72-Q99 HydrophobicContact CE-CG 4.08Å; M72-Q99 HydrophobicContact SD-CB 3.99Å; M72-Q99 HydrophobicContact SD-CG 3.59Å; M72-Q99 VanDerWaalsContact SD-CG 3.59Å; Q95-Q99 WeakPolarHBondContact O-CB 3.26Å; Q95-Q99 PolarHBondContact O-N 3.17Å; Y96-Q99 PolarHBondContact O-N 3.11Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.92Å; Q99-K101 PolarHBondContact O-N 2.88Å; Q99-R102 PolarHBondContact O-N 2.9Å; Q99-V103 HydrophobicContact CG-CG2 4.39Å; Q99-V103 WeakPolarHBondContact O-CB 3.4Å; Q99-V103 VanDerWaalsContact O-CG2 3.28Å; Q99-V103 WeakPolarHBondContact O-CG2 3.45Å; Q99-V103 PolarHBondContact O-N 2.97Å
100I98.2Very high97.3Very high0 Ų054.9 Ų54.90%027%0.265CS..Hα-helixtrans-56.9-51.7176.1-72.5162000110.3V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111V9-I100 HydrophobicContact CG2-CD1 4.12Å; M72-I100 HydrophobicContact CE-CG1 3.79Å; M72-I100 HydrophobicContact CG-CG1 3.91Å; M72-I100 HydrophobicContact SD-CB 4.44Å; M72-I100 HydrophobicContact SD-CG1 3.72Å; F78-I100 HydrophobicContact CB-CD1 3.79Å; F78-I100 HydrophobicContact CD1-CD1 3.76Å; F78-I100 HydrophobicContact CD1-CG1 4.01Å; F78-I100 HydrophobicContact CD2-CD1 4.17Å; F78-I100 HydrophobicContact CD2-CG1 4.43Å; F78-I100 HydrophobicContact CD2-CG2 3.67Å; F78-I100 HydrophobicContact CE1-CD1 4.47Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.61Å; F78-I100 HydrophobicContact CG-CG1 4.14Å; F78-I100 HydrophobicContact CG-CG2 4.22Å; F78-I100 HydrophobicContact CZ-CG2 4.13Å; Y96-I100 WeakPolarHBondContact O-CD1 3.25Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.42Å; Y96-I100 PolarHBondContact O-N 3.5Å; R97-I100 PolarHBondContact O-N 2.96Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 2.85Å; I100-V103 PolarHBondContact O-N 3.45Å; I100-K104 HydrophobicContact CG2-CG 4.28Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.26Å; I100-K104 WeakPolarHBondContact O-CG 3.47Å; I100-K104 PolarHBondContact O-N 3.18Å; I100-V109 HydrophobicContact CG2-CB 4.2Å; I100-V109 HydrophobicContact CG2-CG1 3.66Å; I100-V109 HydrophobicContact CG2-CG2 4.4Å; I100-M111 HydrophobicContact CD1-SD 4.24Å; I100-M111 HydrophobicContact CG2-SD 4.34Å
101K98.2Very high97.3Very high26 Ų2654.5 Ų54.511%0.11326%0.263CS..Hα-helixtrans-58.5-44.8-179.6-70.5175.371.1-141.30112R97 E98 Q99 K104 D105 S106 D107R97-K101 HydrophobicContact CG-CD 4.07Å; R97-K101 WeakPolarHBondContact O-CG 2.86Å; R97-K101 PolarHBondContact O-N 2.92Å; E98-K101 PolarHBondContact O-N 3.21Å; E98-K101 IonicContact OE2-NZ 2.56Å; Q99-K101 PolarHBondContact O-N 2.88Å; K101-K104 PolarHBondContact O-N 3.42Å; K101-D105 WeakPolarHBondContact O-CA 3.09Å; K101-D105 PolarHBondContact O-N 3.4Å; K101-S106 WeakPolarHBondContact CA-O 3.36Å; K101-S106 WeakPolarHBondContact CB-O 3.4Å; K101-S106 PolarHBondContact O-N 3.34Å; K101-S106 VanDerWaalsContact O-N 3.12Å; K101-D107 WeakPolarHBondContact CE-OD1 3.3Å; K101-D107 IonicContact NZ-OD1 2.79Å; K101-D107 PolarHBondContact NZ-OD1 2.7Å
102R97.7Very high97.4Very high163 Ų16349 Ų4962%0.61524%0.237SC*.Hα-helixtrans-62.4-46.2177.2-175.9-173.770.4-162.22.9112.1D69 E98 Q99 I100 K104 D105D69-R102 IonicContact OD1-NH2 3.99Å; E98-R102 VanDerWaalsContact O-CB 3.31Å; E98-R102 WeakPolarHBondContact O-CB 3.07Å; E98-R102 PolarHBondContact O-N 3.48Å; Q99-R102 PolarHBondContact O-N 2.9Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 2.85Å; R102-K104 VanDerWaalsContact C-N 3.33Å; R102-D105 PolarHBondContact O-N 2.91Å
103V97.5Very high97.4Very high18 Ų1848.3 Ų48.311%0.10923%0.233CC..Hα-helixtrans-69.5-33.7-179.3173.30000111.6D69 M72 R73 Q99 I100 D105D69-V103 HydrophobicContact CB-CG2 4.04Å; D69-V103 WeakPolarHBondContact O-CG1 3.31Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å; M72-V103 HydrophobicContact CB-CB 4Å; M72-V103 HydrophobicContact CB-CG1 3.74Å; M72-V103 HydrophobicContact CB-CG2 4.34Å; M72-V103 HydrophobicContact SD-CG2 4.42Å; R73-V103 HydrophobicContact CB-CG1 4.02Å; Q99-V103 HydrophobicContact CG-CG2 4.39Å; Q99-V103 WeakPolarHBondContact O-CB 3.4Å; Q99-V103 VanDerWaalsContact O-CG2 3.28Å; Q99-V103 WeakPolarHBondContact O-CG2 3.45Å; Q99-V103 PolarHBondContact O-N 2.97Å; I100-V103 PolarHBondContact O-N 3.45Å; V103-D105 VanDerWaalsContact C-N 3.32Å
104K97Very high97.4Very high61 Ų6148.2 Ų48.227%0.26523%0.233SC..Hα-helixtrans-79.6-13.4175.1-72.5-55-162.1-173.20114.4M72 R73 G75 I100 K101 R102 S106 V109M72-K104 WeakPolarHBondContact O-CE 3.34Å; M72-K104 PolarHBondContact O-NZ 2.93Å; M72-K104 VanDerWaalsContact O-NZ 3.11Å; R73-K104 PolarHBondContact O-NZ 3.34Å; G75-K104 WeakPolarHBondContact O-CE 3.33Å; G75-K104 PolarHBondContact O-NZ 3.25Å; I100-K104 HydrophobicContact CG2-CG 4.28Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.26Å; I100-K104 WeakPolarHBondContact O-CG 3.47Å; I100-K104 PolarHBondContact O-N 3.18Å; K101-K104 PolarHBondContact O-N 3.42Å; R102-K104 VanDerWaalsContact C-N 3.33Å; K104-S106 PolarHBondContact O-N 3.38Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.04Å; K104-V109 HydrophobicContact CG-CG2 3.95Å
105D96.6Very high97.5Very high152 Ų15243.8 Ų43.881%0.81321%0.213SC*.THydrogen-bonded Turntrans50.546.5-172.2-164.132.2000111.6K101 R102 V103K101-D105 WeakPolarHBondContact O-CA 3.09Å; K101-D105 PolarHBondContact O-N 3.4Å; R102-D105 PolarHBondContact O-N 2.91Å; V103-D105 VanDerWaalsContact C-N 3.32Å
106S95.9Very high97.6Very high38 Ų3838.7 Ų38.727%0.26619%0.189SC..  trans-156.2141-176.4-165.60000112.5K101 K104 D108K101-S106 WeakPolarHBondContact CA-O 3.36Å; K101-S106 WeakPolarHBondContact CB-O 3.4Å; K101-S106 PolarHBondContact O-N 3.34Å; K101-S106 VanDerWaalsContact O-N 3.12Å; K104-S106 PolarHBondContact O-N 3.38Å; S106-D108 PolarHBondContact OG-N 3.46Å; S106-D108 PolarHBondContact OG-O 2.99Å
107D93.6Very high97.6Very high127 Ų12741.3 Ų41.368%0.67920%0.2SC*.SBendtrans-80.9-23.4171.4-73-46.5000113.5K101K101-D107 WeakPolarHBondContact CE-OD1 3.3Å; K101-D107 IonicContact NZ-OD1 2.79Å; K101-D107 PolarHBondContact NZ-OD1 2.7Å
108D94.5Very high97.7Very high70 Ų7040.8 Ų40.837%0.37420%0.201SC..  trans-103.393.5178.2-175.823.5000109.4S106 H166 R169S106-D108 PolarHBondContact OG-N 3.46Å; S106-D108 PolarHBondContact OG-O 2.99Å; D108-H166 PolarHBondContact O-NE2 2.98Å; D108-H166 IonicContact OD2-CD2 3.74Å; D108-R169 IonicContact OD1-NH1 3.73Å; D108-R169 IonicContact OD2-NH1 3.81Å
109V98.3Very high97.7Very high9 Ų940.2 Ų40.26%0.05520%0.201CC..  trans-124.1129.5177.1-1750000108.8F78 I100 K104 M111F78-V109 HydrophobicContact CD2-CG1 3.81Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; I100-V109 HydrophobicContact CG2-CB 4.2Å; I100-V109 HydrophobicContact CG2-CG1 3.66Å; I100-V109 HydrophobicContact CG2-CG2 4.4Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.04Å; K104-V109 HydrophobicContact CG-CG2 3.95Å; V109-M111 HydrophobicContact CB-CE 4.31Å; V109-M111 WeakPolarHBondContact O-CE 3.03Å; V109-M111 WeakPolarHBondContact O-CG 3.26Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.11Å
110P98.8Very high97.7Very high6 Ų641.8 Ų41.84%0.03921%0.21CC..  trans-58.1116.2177.4-26.736.1000111.8G77 F78 L159 E162 I163 H166G77-P110 CarbonylContact C-O 3.56Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å; F78-P110 PolarHBondContact N-O 2.76Å; P110-L159 HydrophobicContact CB-CD1 4.46Å; P110-E162 HydrophobicContact CB-CB 4.09Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.11Å; P110-H166 HydrophobicContact CG-CB 3.55Å
111M98.9Very high97.5Very high4 Ų447 Ų472%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-140.3155.4177.1-59.4176.1-84.700110.2F78 R97 I100 V109 I139 P140F78-M111 HydrophobicContact CB-CG 4.12Å; F78-M111 HydrophobicContact CD2-CG 4.35Å; F78-M111 CarbonylContact O-C 3.53Å; F78-M111 WeakPolarHBondContact O-CA 3.39Å; R97-M111 HydrophobicContact CG-CE 4.05Å; R97-M111 HydrophobicContact CG-SD 4.12Å; I100-M111 HydrophobicContact CD1-SD 4.24Å; I100-M111 HydrophobicContact CG2-SD 4.34Å; V109-M111 HydrophobicContact CB-CE 4.31Å; V109-M111 WeakPolarHBondContact O-CE 3.03Å; V109-M111 WeakPolarHBondContact O-CG 3.26Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.11Å; M111-I139 HydrophobicContact CB-CD1 4.03Å; M111-I139 HydrophobicContact CB-CG2 4.15Å; M111-I139 HydrophobicContact CE-CG2 4.47Å; M111-P140 WeakPolarHBondContact O-CD 3.31Å
112V98.9Very high97.3Very high0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-130.8129.3166.5174.80000107.9F78 L79 C80 V114 P140 I142 T158 L159 E162F78-V112 PolarHBondContact O-N 2.98Å; L79-V112 HydrophobicContact CD2-CB 3.78Å; L79-V112 HydrophobicContact CD2-CG1 4.29Å; L79-V112 HydrophobicContact CD2-CG2 4.44Å; C80-V112 PolarHBondContact N-O 3.27Å; V112-V114 HydrophobicContact CG1-CG2 4.04Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.32Å; V112-P140 HydrophobicContact CG2-CG 4.3Å; V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.31Å; V112-T158 HydrophobicContact CG2-CG2 3.97Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.1Å; V112-E162 HydrophobicContact CG2-CG 4.35Å
113L98.9Very high97.3Very high0 Ų044.2 Ų44.20%026%0.256CS..EExtended strand (participates in β ladder)trans-78.5126.4171.2-177.162.1000109.1C80 F82 F90 I93 A130 L133 A134 I139 P140 Y141 I142C80-L113 HydrophobicContact CB-CD1 4.46Å; F82-L113 HydrophobicContact CD1-CD1 3.83Å; F82-L113 HydrophobicContact CD1-CG 4.35Å; F82-L113 HydrophobicContact CE1-CD1 3.93Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.94Å; F90-L113 HydrophobicContact CE2-CD2 4.33Å; I93-L113 HydrophobicContact CB-CD1 4.44Å; I93-L113 HydrophobicContact CD1-CD1 4.36Å; I93-L113 HydrophobicContact CG1-CD1 4Å; I93-L113 HydrophobicContact CG2-CD1 3.72Å; L113-A130 HydrophobicContact CD2-CB 4.41Å; L113-A130 WeakPolarHBondContact CD2-O 3.24Å; L113-L133 HydrophobicContact CD2-CD2 4.34Å; L113-A134 HydrophobicContact CB-CB 4.17Å; L113-A134 HydrophobicContact CD2-CB 3.89Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.48Å; L113-P140 PolarHBondContact N-O 3.3Å; L113-Y141 HydrophobicContact CB-CD2 4.1Å; L113-Y141 HydrophobicContact CD2-CD2 3.9Å; L113-Y141 HydrophobicContact CD2-CE2 4.42Å; L113-Y141 HydrophobicContact CG-CD2 3.81Å; L113-Y141 HydrophobicContact CG-CE2 4.34Å; L113-Y141 WeakPolarHBondContact O-CA 3.1Å; L113-Y141 WeakPolarHBondContact O-CD2 3.46Å; L113-I142 PolarHBondContact O-N 3.09Å
114V99Very high97.4Very high0 Ų046.7 Ų46.70%027%0.271CS..EExtended strand (participates in β ladder)trans-120.7115.4-176.8-179.30000110.6L19 L79 C80 V81 F82 V112 I142 T144 A155L19-V114 HydrophobicContact CD1-CG1 4.02Å; L79-V114 HydrophobicContact CB-CG2 4.34Å; L79-V114 HydrophobicContact CD2-CG2 3.9Å; C80-V114 PolarHBondContact O-N 3.11Å; V81-V114 WeakPolarHBondContact CA-O 3.33Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; F82-V114 WeakPolarHBondContact CD1-O 3.46Å; F82-V114 PolarHBondContact N-O 2.75Å; V112-V114 HydrophobicContact CG1-CG2 4.04Å; V114-I142 WeakPolarHBondContact CA-O 3.36Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 VanDerWaalsContact CG1-OG1 3.24Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.33Å; V114-A155 HydrophobicContact CG2-CB 4.07Å
115G98.9Very high97.4Very high0 Ų043.8 Ų43.80%026%0.259CS..EExtended strand (participates in β ladder)trans-92.994.4171.100000110.4F82 I142 E143 T144F82-G115 VanDerWaalsContact CE1-CA 3.45Å; F82-G115 VanDerWaalsContact CZ-CA 3.44Å; G115-I142 PolarHBondContact N-O 3.42Å; G115-E143 CarbonylContact O-C 3.6Å; G115-E143 WeakPolarHBondContact O-CA 3.41Å; G115-T144 PolarHBondContact O-N 3.5Å
116N98.8Very high97.5Very high3 Ų342 Ų422%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-84.2167-178.2-169.228.9000112.7V14 L19 V81 F82 A83 I84 T144 A146V14-N116 PolarHBondContact O-ND2 2.84Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; V81-N116 HydrophobicContact CG1-CB 3.97Å; F82-N116 PolarHBondContact O-N 3.16Å; A83-N116 WeakPolarHBondContact CA-O 3.36Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.47Å; N116-T144 CarbonylContact C-O 3.52Å; N116-T144 VanDerWaalsContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-OG1 3.32Å; N116-T144 PolarHBondContact OD1-O 3.49Å; N116-T144 PolarHBondContact OD1-OG1 3.35Å; N116-A146 PolarHBondContact OD1-N 2.99Å
117K98.2Very high97.6Very high58 Ų5842.3 Ų42.325%0.25225%0.247SC..  trans66.833-179-45.5-170.1-172.3-178.50113G13 A83 I84 D119 L120 T144G13-K117 VanDerWaalsContact O-CE 3.32Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.31Å; A83-K117 HydrophobicContact CB-CD 3.93Å; A83-K117 HydrophobicContact CB-CG 4.17Å; I84-K117 WeakPolarHBondContact CD1-O 3.45Å; I84-K117 VanDerWaalsContact CG1-O 3.27Å; I84-K117 WeakPolarHBondContact CG1-O 3.35Å; K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 2.96Å; K117-D119 VanDerWaalsContact O-N 3.1Å; K117-L120 HydrophobicContact CB-CD1 3.75Å; K117-L120 HydrophobicContact CB-CG 4.02Å; K117-L120 HydrophobicContact CD-CD1 3.89Å; K117-L120 HydrophobicContact CG-CD1 4.43Å; K117-L120 WeakPolarHBondContact O-CB 3.34Å; K117-L120 PolarHBondContact O-N 3.27Å; K117-T144 PolarHBondContact N-O 3.1Å
118C98.4Very high97.8Very high23 Ų2345.6 Ų45.616%0.15525%0.25CS..THydrogen-bonded Turntrans-64.8-11.2179.573.60000113.7L120 E143 T144C118-L120 VanDerWaalsContact C-N 3.28Å; C118-E143 HydrophobicContact CB-CB 4.14Å; C118-T144 PolarHBondContact N-O 2.74Å; C118-T144 PolarHBondContact SG-O 3.21Å
119D97.8Very high98Very high58 Ų5846.7 Ų46.731%0.3125%0.253SS..THydrogen-bonded Turntrans-72.3-18.6170.260.2-73.8000113.6K117 S145 K147 T148K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 2.96Å; K117-D119 VanDerWaalsContact O-N 3.1Å; D119-S145 WeakPolarHBondContact CB-OG 3.47Å; D119-S145 VanDerWaalsContact OD1-CB 3.28Å; D119-S145 WeakPolarHBondContact OD1-CB 3.2Å; D119-S145 PolarHBondContact OD1-OG 3.29Å; D119-K147 WeakPolarHBondContact OD2-CD 3.36Å; D119-T148 HydrophobicContact CB-CG2 4.01Å
120L96.7Very high98Very high62 Ų6246.3 Ų46.333%0.32525%0.251SS..  trans-81132179.7-60.1-177.5000111.1N85 K117 C118 A122N85-L120 HydrophobicContact CB-CD1 4.45Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.36Å; K117-L120 HydrophobicContact CB-CD1 3.75Å; K117-L120 HydrophobicContact CB-CG 4.02Å; K117-L120 HydrophobicContact CD-CD1 3.89Å; K117-L120 HydrophobicContact CG-CD1 4.43Å; K117-L120 WeakPolarHBondContact O-CB 3.34Å; K117-L120 PolarHBondContact O-N 3.27Å; C118-L120 VanDerWaalsContact C-N 3.28Å; L120-A122 VanDerWaalsContact C-N 3.27Å; L120-A122 PolarHBondContact O-N 3.43Å
121A94.6Very high98Very high108 Ų10848.9 Ų48.989%0.89326%0.262SS*.SBendtrans-69.2-25.1173.900000113.2R123A121-R123 PolarHBondContact O-N 3.39Å
122A94.5Very high98Very high68 Ų6852.1 Ų52.156%0.56228%0.28SS*.  trans-76.956.9-177.400000112.5N85 L120N85-A122 VanDerWaalsContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CB-O 3.5Å; L120-A122 VanDerWaalsContact C-N 3.27Å; L120-A122 PolarHBondContact O-N 3.43Å
123R98.1Very high98Very high64 Ų6454 Ų5424%0.24229%0.289CS..  trans-72.4133.4178-178.7175.8-71.5-99.510.6110.8I84 A121 V125 S127 E143I84-R123 HydrophobicContact CD1-CB 4.07Å; I84-R123 HydrophobicContact CD1-CG 4.19Å; A121-R123 PolarHBondContact O-N 3.39Å; R123-V125 VanDerWaalsContact CD-O 3.26Å; R123-V125 WeakPolarHBondContact CD-O 3.49Å; R123-V125 WeakPolarHBondContact CG-O 3.26Å; R123-V125 PolarHBondContact NH1-O 2.97Å; R123-S127 PolarHBondContact NH1-OG 3.44Å; R123-E143 IonicContact CZ-OE1 2.65Å; R123-E143 IonicContact CZ-OE2 3.48Å; R123-E143 IonicContact NH1-OE1 2.77Å; R123-E143 PolarHBondContact NH1-OE1 3.32Å; R123-E143 IonicContact NH1-OE2 2.85Å; R123-E143 IonicContact NH2-OE1 3.41Å; R123-E143 PolarHBondContact NH2-OE1 3.31Å; R123-E143 IonicContact NH2-OE2 3.25Å; R123-E143 PolarHBondContact NH2-OE2 3.16Å
124T98.3Very high98Very high70 Ų7054 Ų5443%0.42929%0.289SS..  trans-120.6-11.2171.268.50000112.8I84 N85 N86 T87I84-T124 PolarHBondContact O-N 3.04Å; N85-T124 VanDerWaalsContact C-OG1 3.29Å; N86-T124 PolarHBondContact N-OG1 3.06Å; T87-T124 PolarHBondContact N-OG1 3.33Å; T87-T124 VanDerWaalsContact OG1-CB 3.29Å; T87-T124 WeakPolarHBondContact OG1-CB 3.41Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 3.34Å
125V98.4Very high98Very high0 Ų062 Ų620%032%0.32CS..SBendtrans-118.3113.4174.4-177.20000108.9F82 I84 F90 R123 A130F82-V125 HydrophobicContact CD2-CG2 4.49Å; F82-V125 HydrophobicContact CE2-CB 3.94Å; F82-V125 HydrophobicContact CE2-CG1 3.71Å; F82-V125 HydrophobicContact CE2-CG2 4.29Å; F82-V125 HydrophobicContact CZ-CG1 4.16Å; I84-V125 PolarHBondContact O-N 3.42Å; F90-V125 HydrophobicContact CB-CG1 4.31Å; F90-V125 HydrophobicContact CB-CG2 3.77Å; F90-V125 HydrophobicContact CD1-CG1 3.94Å; F90-V125 HydrophobicContact CD1-CG2 4.34Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.19Å; F90-V125 HydrophobicContact CE2-CG1 4.14Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.1Å; F90-V125 HydrophobicContact CZ-CG1 4.27Å; R123-V125 VanDerWaalsContact CD-O 3.26Å; R123-V125 WeakPolarHBondContact CD-O 3.49Å; R123-V125 WeakPolarHBondContact CG-O 3.26Å; R123-V125 PolarHBondContact NH1-O 2.97Å; V125-A130 HydrophobicContact CG1-CB 4.34Å
126E98.1Very high97.9Very high113 Ų11366 Ų6653%0.52835%0.348SS..  trans-70.3140.5-179.4-68.3-54.6132.800111.5R128 Q129 A130E126-R128 PolarHBondContact O-N 3.41Å; E126-R128 VanDerWaalsContact O-N 3.13Å; E126-Q129 HydrophobicContact CB-CB 4.33Å; E126-Q129 WeakPolarHBondContact O-CB 3.44Å; E126-Q129 PolarHBondContact O-N 3.02Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å
127S97.9Very high97.9Very high45 Ų4567.7 Ų67.732%0.31535%0.354SS..Hα-helixtrans-55.3-36.5179.8-530000112R123 A130 Q131 E143R123-S127 PolarHBondContact NH1-OG 3.44Å; S127-A130 PolarHBondContact O-N 3.24Å; S127-Q131 WeakPolarHBondContact O-CB 3.32Å; S127-Q131 PolarHBondContact O-N 3.41Å; S127-E143 VanDerWaalsContact CB-OE1 3.26Å; S127-E143 WeakPolarHBondContact CB-OE1 3.24Å; S127-E143 PolarHBondContact OG-OE1 3.34Å
128R98.3Very high97.9Very high197 Ų19768.1 Ų68.174%0.74337%0.374SS*.Hα-helixtrans-63.3-43.6176.1-176.3176.4178.6173.51.3112.1E126 Q131 D132E126-R128 PolarHBondContact O-N 3.41Å; E126-R128 VanDerWaalsContact O-N 3.13Å; R128-Q131 PolarHBondContact O-N 3.17Å; R128-D132 IonicContact NE-OD2 4Å; R128-D132 WeakPolarHBondContact O-CB 3.47Å; R128-D132 VanDerWaalsContact O-CG 3.26Å; R128-D132 PolarHBondContact O-N 2.95Å
129Q98.1Very high97.9Very high93 Ų9368 Ų6844%0.43537%0.372SS..Hα-helixtrans-61.8-45.8179-177.3-17411.900111.1F90 E126 D132 L133F90-Q129 HydrophobicContact CE1-CG 3.9Å; F90-Q129 HydrophobicContact CZ-CG 4.11Å; E126-Q129 HydrophobicContact CB-CB 4.33Å; E126-Q129 WeakPolarHBondContact O-CB 3.44Å; E126-Q129 PolarHBondContact O-N 3.02Å; Q129-D132 PolarHBondContact O-N 3.42Å; Q129-L133 PolarHBondContact O-N 3.32Å
130A98.7Very high97.9Very high0 Ų066.7 Ų66.70%037%0.367CS..Hα-helixtrans-67.6-38.3177.600000112.5F82 F90 L113 V125 E126 S127 L133 A134 Y141F82-A130 HydrophobicContact CE1-CB 4.19Å; F82-A130 HydrophobicContact CZ-CB 3.69Å; F90-A130 HydrophobicContact CE2-CB 3.76Å; F90-A130 HydrophobicContact CZ-CB 4.29Å; L113-A130 HydrophobicContact CD2-CB 4.41Å; L113-A130 WeakPolarHBondContact CD2-O 3.24Å; V125-A130 HydrophobicContact CG1-CB 4.34Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å; S127-A130 PolarHBondContact O-N 3.24Å; A130-L133 PolarHBondContact O-N 2.98Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A130-A134 PolarHBondContact O-N 3.08Å; A130-Y141 HydrophobicContact CB-CD1 4.43Å; A130-Y141 HydrophobicContact CB-CD2 4.16Å; A130-Y141 HydrophobicContact CB-CE1 3.87Å; A130-Y141 HydrophobicContact CB-CE2 3.57Å; A130-Y141 WeakPolarHBondContact CB-OH 3.24Å
131Q98.7Very high98Very high61 Ų6165.1 Ų65.129%0.28536%0.357SS..Hα-helixtrans-63.1-41.2175-176.562.173.900112.4S127 R128 A134 R135 Y141S127-Q131 WeakPolarHBondContact O-CB 3.32Å; S127-Q131 PolarHBondContact O-N 3.41Å; R128-Q131 PolarHBondContact O-N 3.17Å; Q131-A134 PolarHBondContact O-N 2.92Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.29Å; Q131-R135 WeakPolarHBondContact O-CG 3.48Å; Q131-R135 PolarHBondContact O-N 2.9Å; Q131-Y141 HydrophobicContact CB-CD1 4.12Å
132D98.8Very high98.2Very high72 Ų7261.1 Ų61.139%0.38532%0.32SS..Hα-helixtrans-67.7-39.7177.7-71.4-23.1000111R128 Q129 R135 S136R128-D132 IonicContact NE-OD2 4Å; R128-D132 WeakPolarHBondContact O-CB 3.47Å; R128-D132 VanDerWaalsContact O-CG 3.26Å; R128-D132 PolarHBondContact O-N 2.95Å; Q129-D132 PolarHBondContact O-N 3.42Å; D132-R135 PolarHBondContact O-N 2.88Å; D132-R135 IonicContact OD1-NH1 3.73Å; D132-S136 PolarHBondContact O-N 3.31Å
133L98.6Very high98.5Very high38 Ų3859.9 Ų59.920%0.19930%0.303CS..Hα-helixtrans-60.4-50.8172.2-174.468.8000111.4F90 L113 Q129 A130 R135 S136 Y137F90-L133 HydrophobicContact CD2-CD2 4.3Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.31Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.88Å; F90-L133 HydrophobicContact CZ-CD2 3.44Å; F90-L133 VanDerWaalsContact CZ-CD2 3.44Å; F90-L133 HydrophobicContact CZ-CG 4.25Å; L113-L133 HydrophobicContact CD2-CD2 4.34Å; Q129-L133 PolarHBondContact O-N 3.32Å; A130-L133 PolarHBondContact O-N 2.98Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.23Å; L133-S136 WeakPolarHBondContact O-CB 3.48Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 VanDerWaalsContact O-N 3.07Å; L133-S136 PolarHBondContact O-OG 2.9Å; L133-Y137 HydrophobicContact CD1-CE1 4.03Å; L133-Y137 HydrophobicContact CD1-CE2 3.89Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 HydrophobicContact CG-CD2 4.19Å; L133-Y137 HydrophobicContact CG-CE2 3.77Å; L133-Y137 PolarHBondContact O-N 2.67Å
134A98.8Very high98.5Very high0 Ų056.8 Ų56.80%029%0.291CS..Hα-helixtrans-59.2-40.5179.400000112.3L113 A130 Q131 S136 Y137 G138 I139L113-A134 HydrophobicContact CB-CB 4.17Å; L113-A134 HydrophobicContact CD2-CB 3.89Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A130-A134 PolarHBondContact O-N 3.08Å; Q131-A134 PolarHBondContact O-N 2.92Å; A134-S136 PolarHBondContact O-N 2.87Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 2.96Å; A134-Y137 VanDerWaalsContact O-N 3.16Å; A134-G138 PolarHBondContact O-N 2.99Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.25Å; A134-I139 WeakPolarHBondContact CB-O 3.5Å; A134-I139 PolarHBondContact O-N 2.98Å
135R98.6Very high98.5Very high170 Ų17053.5 Ų53.564%0.64227%0.271SS*.Hα-helixtrans-60.4-44.3173.3-77.1173.8-176.4-178.20.1112Q131 D132 L133 Y137 G138Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.29Å; Q131-R135 WeakPolarHBondContact O-CG 3.48Å; Q131-R135 PolarHBondContact O-N 2.9Å; D132-R135 PolarHBondContact O-N 2.88Å; D132-R135 IonicContact OD1-NH1 3.73Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.23Å; R135-Y137 PolarHBondContact O-N 2.91Å; R135-G138 PolarHBondContact O-N 3.03Å
136S98.2Very high98.5Very high84 Ų8453.6 Ų53.659%0.58727%0.272SS*.Hα-helixtrans-63.7-26.9176.9770000113.1D132 L133 A134D132-S136 PolarHBondContact O-N 3.31Å; L133-S136 WeakPolarHBondContact O-CB 3.48Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 VanDerWaalsContact O-N 3.07Å; L133-S136 PolarHBondContact O-OG 2.9Å; A134-S136 PolarHBondContact O-N 2.87Å
137Y98.1Very high98.5Very high38 Ų3853.9 Ų53.915%0.14927%0.271CS..Hα-helixtrans-87.5-9.2174.5-68.3-11.6000113.6I93 H94 R97 L133 A134 R135 I139I93-Y137 HydrophobicContact CG2-CE2 4.3Å; H94-Y137 PolarHBondContact ND1-OH 2.84Å; H94-Y137 VanDerWaalsContact ND1-OH 3.14Å; R97-Y137 VanDerWaalsContact CD-CD2 3.45Å; L133-Y137 HydrophobicContact CD1-CE1 4.03Å; L133-Y137 HydrophobicContact CD1-CE2 3.89Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 HydrophobicContact CG-CD2 4.19Å; L133-Y137 HydrophobicContact CG-CE2 3.77Å; L133-Y137 PolarHBondContact O-N 2.67Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 2.96Å; A134-Y137 VanDerWaalsContact O-N 3.16Å; R135-Y137 PolarHBondContact O-N 2.91Å; Y137-I139 VanDerWaalsContact C-N 3.32Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å
138G97.7Very high98.5Very high66 Ų6655.5 Ų55.568%0.6828%0.279SS*.THydrogen-bonded Turntrans69.427.6-176.100000113.7A134 R135A134-G138 PolarHBondContact O-N 2.99Å; R135-G138 PolarHBondContact O-N 3.03Å
139I98.7Very high98.4Very high20 Ų2051.2 Ų51.210%0.10326%0.263CS..  trans-122.5157-176.768.4176.6000112.6M111 L113 A134 Y137M111-I139 HydrophobicContact CB-CD1 4.03Å; M111-I139 HydrophobicContact CB-CG2 4.15Å; M111-I139 HydrophobicContact CE-CG2 4.47Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.48Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.25Å; A134-I139 WeakPolarHBondContact CB-O 3.5Å; A134-I139 PolarHBondContact O-N 2.98Å; Y137-I139 VanDerWaalsContact C-N 3.32Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å
140P98.8Very high98.5Very high32 Ų3251.9 Ų51.921%0.20827%0.267CS..  trans-64.9149.6173.3-21.534.5000112.6M111 V112 L113 T158 E162M111-P140 WeakPolarHBondContact O-CD 3.31Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.32Å; V112-P140 HydrophobicContact CG2-CG 4.3Å; L113-P140 PolarHBondContact N-O 3.3Å; P140-T158 HydrophobicContact CB-CG2 3.74Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; P140-E162 HydrophobicContact CG-CG 3.84Å
141Y98.9Very high98.5Very high28 Ų2852.4 Ų52.411%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-116.9130.7168.8174.6-124.6000109.8F82 L113 A130 Q131 E143F82-Y141 AromaticContact CE1-CE2 3.83Å; F82-Y141 HydrophobicContact CE1-CE2 3.83Å; F82-Y141 AromaticContact CZ-CE2 3.9Å; F82-Y141 HydrophobicContact CZ-CE2 3.9Å; L113-Y141 HydrophobicContact CB-CD2 4.1Å; L113-Y141 HydrophobicContact CD2-CD2 3.9Å; L113-Y141 HydrophobicContact CD2-CE2 4.42Å; L113-Y141 HydrophobicContact CG-CD2 3.81Å; L113-Y141 HydrophobicContact CG-CE2 4.34Å; L113-Y141 WeakPolarHBondContact O-CA 3.1Å; L113-Y141 WeakPolarHBondContact O-CD2 3.46Å; A130-Y141 HydrophobicContact CB-CD1 4.43Å; A130-Y141 HydrophobicContact CB-CD2 4.16Å; A130-Y141 HydrophobicContact CB-CE1 3.87Å; A130-Y141 HydrophobicContact CB-CE2 3.57Å; A130-Y141 WeakPolarHBondContact CB-OH 3.24Å; Q131-Y141 HydrophobicContact CB-CD1 4.12Å; Y141-E143 HydrophobicContact CE1-CG 3.72Å; Y141-E143 HydrophobicContact CE2-CG 4.31Å; Y141-E143 VanDerWaalsContact CZ-CG 3.45Å; Y141-E143 WeakPolarHBondContact OH-CG 3.36Å; Y141-E143 PolarHBondContact OH-OE1 2.99Å
142I98.9Very high98.5Very high25 Ų2549.5 Ų49.513%0.12826%0.258CS..EExtended strand (participates in β ladder)trans-133.4127.3177.4-63.5177000109.2V112 L113 V114 G115 T144 D154 A155 T158V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.31Å; L113-I142 PolarHBondContact O-N 3.09Å; V114-I142 WeakPolarHBondContact CA-O 3.36Å; G115-I142 PolarHBondContact N-O 3.42Å; I142-T144 HydrophobicContact CG2-CG2 3.93Å; I142-D154 HydrophobicContact CD1-CB 4.25Å; I142-D154 WeakPolarHBondContact CD1-O 3.48Å; I142-D154 HydrophobicContact CG2-CB 4.34Å; I142-A155 HydrophobicContact CG2-CB 4.24Å; I142-T158 HydrophobicContact CD1-CG2 3.99Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.36Å
143E98.8Very high98.4Very high41 Ų4148.9 Ų48.919%0.19225%0.253CS..EExtended strand (participates in β ladder)trans-84.4137.5168.1-71-161.6174.100110.8G115 C118 R123 S127 Y141G115-E143 CarbonylContact O-C 3.6Å; G115-E143 WeakPolarHBondContact O-CA 3.41Å; C118-E143 HydrophobicContact CB-CB 4.14Å; R123-E143 IonicContact CZ-OE1 2.65Å; R123-E143 IonicContact CZ-OE2 3.48Å; R123-E143 IonicContact NH1-OE1 2.77Å; R123-E143 PolarHBondContact NH1-OE1 3.32Å; R123-E143 IonicContact NH1-OE2 2.85Å; R123-E143 IonicContact NH2-OE1 3.41Å; R123-E143 PolarHBondContact NH2-OE1 3.31Å; R123-E143 IonicContact NH2-OE2 3.25Å; R123-E143 PolarHBondContact NH2-OE2 3.16Å; S127-E143 VanDerWaalsContact CB-OE1 3.26Å; S127-E143 WeakPolarHBondContact CB-OE1 3.24Å; S127-E143 PolarHBondContact OG-OE1 3.34Å; Y141-E143 HydrophobicContact CE1-CG 3.72Å; Y141-E143 HydrophobicContact CE2-CG 4.31Å; Y141-E143 VanDerWaalsContact CZ-CG 3.45Å; Y141-E143 WeakPolarHBondContact OH-CG 3.36Å; Y141-E143 PolarHBondContact OH-OE1 2.99Å
144T98.9Very high98.4Very high0 Ų051.5 Ų51.50%027%0.267CS..  trans-133.1153.1-176.659.40000111.7L19 V114 G115 N116 K117 C118 I142 Q150 G151 A155L19-T144 HydrophobicContact CD2-CG2 4.41Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 VanDerWaalsContact CG1-OG1 3.24Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.33Å; G115-T144 PolarHBondContact O-N 3.5Å; N116-T144 CarbonylContact C-O 3.52Å; N116-T144 VanDerWaalsContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-OG1 3.32Å; N116-T144 PolarHBondContact OD1-O 3.49Å; N116-T144 PolarHBondContact OD1-OG1 3.35Å; K117-T144 PolarHBondContact N-O 3.1Å; C118-T144 PolarHBondContact N-O 2.74Å; C118-T144 PolarHBondContact SG-O 3.21Å; I142-T144 HydrophobicContact CG2-CG2 3.93Å; T144-Q150 CarbonylContact C-O 3.55Å; T144-Q150 VanDerWaalsContact CA-O 3.24Å; T144-Q150 WeakPolarHBondContact CA-O 3.21Å; T144-G151 WeakPolarHBondContact CG2-O 3.36Å; T144-A155 HydrophobicContact CG2-CB 3.96Å
145S98.6Very high98.4Very high0 Ų051.6 Ų51.60%027%0.268CS..  trans-129.6109.7161.3173.90000107.8D119 K147 T148 R149 Q150D119-S145 WeakPolarHBondContact CB-OG 3.47Å; D119-S145 VanDerWaalsContact OD1-CB 3.28Å; D119-S145 WeakPolarHBondContact OD1-CB 3.2Å; D119-S145 PolarHBondContact OD1-OG 3.29Å; S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 PolarHBondContact OG-N 3.4Å; S145-T148 VanDerWaalsContact CB-OG1 3.23Å; S145-T148 WeakPolarHBondContact CB-OG1 3.42Å; S145-T148 PolarHBondContact O-N 3.22Å; S145-T148 PolarHBondContact OG-N 3.14Å; S145-T148 PolarHBondContact OG-OG1 2.65Å; S145-R149 CarbonylContact O-C 3.33Å; S145-R149 VanDerWaalsContact O-CA 3.31Å; S145-R149 WeakPolarHBondContact O-CA 3.29Å; S145-R149 PolarHBondContact O-N 3.07Å; S145-Q150 PolarHBondContact N-O 3.33Å; S145-Q150 PolarHBondContact O-N 3.28Å
146A98.4Very high98.5Very high3 Ų343.5 Ų43.53%0.02524%0.237CC..THydrogen-bonded Turntrans-55.4-35.616800000111.2A18 L19 Q22 F28 N116A18-A146 HydrophobicContact CB-CB 3.64Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.25Å; Q22-A146 WeakPolarHBondContact CG-O 3.43Å; Q22-A146 PolarHBondContact NE2-O 3.16Å; F28-A146 HydrophobicContact CD2-CB 4.04Å; F28-A146 HydrophobicContact CE2-CB 4.15Å; N116-A146 PolarHBondContact OD1-N 2.99Å
147K97.7Very high98.5Very high118 Ų11840.9 Ų40.951%0.51322%0.215SC..THydrogen-bonded Turntrans-65.6-47.1-179-174.9176.2-176.3170.40113.1F28 D119 S145F28-K147 HydrophobicContact CD1-CB 4.41Å; F28-K147 HydrophobicContact CD1-CG 4.19Å; F28-K147 HydrophobicContact CD2-CB 4.24Å; F28-K147 HydrophobicContact CE1-CB 4.3Å; F28-K147 HydrophobicContact CE1-CG 4.13Å; F28-K147 HydrophobicContact CE2-CB 4.12Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 4.15Å; F28-K147 HydrophobicContact CZ-CG 4.44Å; D119-K147 WeakPolarHBondContact OD2-CD 3.36Å; S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 PolarHBondContact OG-N 3.4Å
148T97.7Very high98.5Very high79 Ų7940.3 Ų40.349%0.48522%0.215SC..THydrogen-bonded Turntrans-97.20.1-176.7700000113.6D119 S145 Q150D119-T148 HydrophobicContact CB-CG2 4.01Å; S145-T148 VanDerWaalsContact CB-OG1 3.23Å; S145-T148 WeakPolarHBondContact CB-OG1 3.42Å; S145-T148 PolarHBondContact O-N 3.22Å; S145-T148 PolarHBondContact OG-N 3.14Å; S145-T148 PolarHBondContact OG-OG1 2.65Å; T148-Q150 PolarHBondContact O-N 3.04Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.49Å; T148-Q150 PolarHBondContact OG1-N 2.81Å
149R97.6Very high98.6Very high108 Ų10837.1 Ų37.141%0.40818%0.183SC..  trans68.2-1.9-172.5-167.8175.5172.41740.6114.5Q22 N26 S145 G151 V152 E153Q22-R149 HydrophobicContact CG-CB 4.3Å; Q22-R149 HydrophobicContact CG-CG 4.24Å; N26-R149 PolarHBondContact OD1-NH1 2.99Å; N26-R149 VanDerWaalsContact OD1-NH1 3.16Å; N26-R149 PolarHBondContact OD1-NH2 3.21Å; N26-R149 VanDerWaalsContact OD1-NH2 3.11Å; S145-R149 CarbonylContact O-C 3.33Å; S145-R149 VanDerWaalsContact O-CA 3.31Å; S145-R149 WeakPolarHBondContact O-CA 3.29Å; S145-R149 PolarHBondContact O-N 3.07Å; R149-G151 PolarHBondContact O-N 3.47Å; R149-V152 WeakPolarHBondContact O-CG2 3.43Å; R149-V152 PolarHBondContact O-N 2.91Å; R149-E153 IonicContact CZ-OE1 3.35Å; R149-E153 IonicContact NE-OE1 3.89Å; R149-E153 IonicContact NH2-OE1 3.85Å; R149-E153 PolarHBondContact NH2-OE1 3.29Å
150Q98.6Very high98.6Very high107 Ų10736.2 Ų36.250%0.518%0.178SC..THydrogen-bonded Turntrans-56.1129.7179.3179.9179.2-30.300111.3T144 S145 T148 V152T144-Q150 CarbonylContact C-O 3.55Å; T144-Q150 VanDerWaalsContact CA-O 3.24Å; T144-Q150 WeakPolarHBondContact CA-O 3.21Å; S145-Q150 PolarHBondContact N-O 3.33Å; S145-Q150 PolarHBondContact O-N 3.28Å; T148-Q150 PolarHBondContact O-N 3.04Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.49Å; T148-Q150 PolarHBondContact OG1-N 2.81Å; Q150-V152 PolarHBondContact O-N 3.42Å
151G98.5Very high98.6Very high10 Ų1038.3 Ų38.310%0.10318%0.181CC..THydrogen-bonded Turntrans67.8-2.1173.900000115.8T144 R149 D154 A155T144-G151 WeakPolarHBondContact CG2-O 3.36Å; R149-G151 PolarHBondContact O-N 3.47Å; G151-D154 PolarHBondContact O-N 3.01Å; G151-A155 WeakPolarHBondContact O-CB 3.28Å; G151-A155 PolarHBondContact O-N 3.27Å
152V98.7Very high98.6Very high1 Ų138.3 Ų38.31%0.00618%0.183CC..Hα-helixtrans-61.6-54.9-175.2176.90000110.3L19 Q22 L23 R149 Q150 D154 A155 F156L19-V152 HydrophobicContact CD2-CG2 3.8Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.1Å; L23-V152 HydrophobicContact CB-CG1 3.94Å; R149-V152 WeakPolarHBondContact O-CG2 3.43Å; R149-V152 PolarHBondContact O-N 2.91Å; Q150-V152 PolarHBondContact O-N 3.42Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 2.94Å; V152-A155 PolarHBondContact O-N 3.29Å; V152-F156 HydrophobicContact CG1-CD2 4.4Å; V152-F156 HydrophobicContact CG1-CE2 4.31Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.48Å; V152-F156 PolarHBondContact O-N 2.9Å
153E98.5Very high98.6Very high58 Ų5837.2 Ų37.227%0.27118%0.177SC..Hα-helixtrans-62.2-41.4176.9-71.4-173.5-162.500111.7L23 R149 A155 F156 Y157L23-E153 HydrophobicContact CD1-CG 3.9Å; R149-E153 IonicContact CZ-OE1 3.35Å; R149-E153 IonicContact NE-OE1 3.89Å; R149-E153 IonicContact NH2-OE1 3.85Å; R149-E153 PolarHBondContact NH2-OE1 3.29Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.24Å; E153-F156 PolarHBondContact O-N 3.29Å; E153-Y157 HydrophobicContact CB-CD2 4.12Å; E153-Y157 HydrophobicContact CB-CE2 3.73Å; E153-Y157 HydrophobicContact CG-CE2 4.17Å; E153-Y157 VanDerWaalsContact O-CB 3.26Å; E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 WeakPolarHBondContact O-CD1 3.41Å; E153-Y157 PolarHBondContact O-N 3.27Å; E153-Y157 WeakPolarHBondContact OE2-CE2 3.23Å; E153-Y157 PolarHBondContact OE2-OH 2.85Å
154D98.7Very high98.5Very high94 Ų9437 Ų3750%0.50317%0.174SC..Hα-helixtrans-58-41.8179.1-61.9-39.1000111.9I142 G151 V152 T158I142-D154 HydrophobicContact CD1-CB 4.25Å; I142-D154 WeakPolarHBondContact CD1-O 3.48Å; I142-D154 HydrophobicContact CG2-CB 4.34Å; G151-D154 PolarHBondContact O-N 3.01Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 2.94Å; D154-T158 WeakPolarHBondContact O-CB 3.27Å; D154-T158 PolarHBondContact O-N 2.75Å; D154-T158 PolarHBondContact O-OG1 2.82Å
155A98.9Very high98.5Very high1 Ų141 Ų411%0.00819%0.193CC..Hα-helixtrans-60.7-54.7178.300000111.9L79 V114 I142 T144 G151 V152 E153 L159L79-A155 HydrophobicContact CD1-CB 4.46Å; L79-A155 HydrophobicContact CD2-CB 4.43Å; V114-A155 HydrophobicContact CG2-CB 4.07Å; I142-A155 HydrophobicContact CG2-CB 4.24Å; T144-A155 HydrophobicContact CG2-CB 3.96Å; G151-A155 WeakPolarHBondContact O-CB 3.28Å; G151-A155 PolarHBondContact O-N 3.27Å; V152-A155 PolarHBondContact O-N 3.29Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.24Å; A155-L159 PolarHBondContact O-N 2.88Å; A155-L159 VanDerWaalsContact O-N 3.11Å
156F98.9Very high98.4Very high1 Ų142.1 Ų42.10%0.00420%0.198CC..Hα-helixtrans-68-39.3-178.5-73.5-86.5000112.3L6 V8 L19 L23 I55 L79 V152 E153 L159 V160L6-F156 HydrophobicContact CD1-CD1 3.89Å; V8-F156 HydrophobicContact CG2-CE1 3.93Å; V8-F156 HydrophobicContact CG2-CZ 4.15Å; L19-F156 HydrophobicContact CB-CE2 4.31Å; L23-F156 HydrophobicContact CB-CD2 4.29Å; L23-F156 HydrophobicContact CB-CE2 4.15Å; L23-F156 HydrophobicContact CD2-CB 3.97Å; L23-F156 HydrophobicContact CD2-CD1 3.89Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.25Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.29Å; L23-F156 HydrophobicContact CG-CD2 4.34Å; I55-F156 HydrophobicContact CD1-CD1 3.91Å; I55-F156 HydrophobicContact CD1-CE1 3.77Å; I55-F156 HydrophobicContact CG1-CE1 4.44Å; I55-F156 HydrophobicContact CG2-CE1 3.88Å; L79-F156 HydrophobicContact CD1-CD1 3.61Å; L79-F156 HydrophobicContact CD1-CD2 4.01Å; L79-F156 HydrophobicContact CD1-CE1 3.45Å; L79-F156 VanDerWaalsContact CD1-CE1 3.45Å; L79-F156 HydrophobicContact CD1-CE2 3.88Å; L79-F156 HydrophobicContact CD1-CG 3.89Å; L79-F156 HydrophobicContact CD1-CZ 3.6Å; L79-F156 HydrophobicContact CG-CE1 4.49Å; V152-F156 HydrophobicContact CG1-CD2 4.4Å; V152-F156 HydrophobicContact CG1-CE2 4.31Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.48Å; V152-F156 PolarHBondContact O-N 2.9Å; E153-F156 PolarHBondContact O-N 3.29Å; F156-L159 PolarHBondContact O-N 3.38Å; F156-V160 PolarHBondContact O-N 3.16Å; F156-V160 VanDerWaalsContact O-N 3.13Å
157Y98.8Very high98.3Very high29 Ų2945.6 Ų45.611%0.11421%0.213CC..Hα-helixtrans-73.8-35-178.4-62.1-4.9000111.7L23 V44 I46 L53 E153 L159 V160 R161L23-Y157 HydrophobicContact CD1-CE1 4.43Å; V44-Y157 HydrophobicContact CB-CE1 4.26Å; V44-Y157 HydrophobicContact CG1-CE1 4.21Å; V44-Y157 HydrophobicContact CG2-CE1 4.1Å; I46-Y157 HydrophobicContact CD1-CD1 3.42Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.42Å; I46-Y157 HydrophobicContact CD1-CE1 4.04Å; I46-Y157 HydrophobicContact CD1-CG 3.8Å; I46-Y157 HydrophobicContact CG1-CD1 3.74Å; I46-Y157 HydrophobicContact CG1-CD2 4.2Å; I46-Y157 HydrophobicContact CG1-CE1 4.13Å; I46-Y157 HydrophobicContact CG1-CG 3.79Å; L53-Y157 HydrophobicContact CD1-CE1 4.35Å; E153-Y157 HydrophobicContact CB-CD2 4.12Å; E153-Y157 HydrophobicContact CB-CE2 3.73Å; E153-Y157 HydrophobicContact CG-CE2 4.17Å; E153-Y157 VanDerWaalsContact O-CB 3.26Å; E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 WeakPolarHBondContact O-CD1 3.41Å; E153-Y157 PolarHBondContact O-N 3.27Å; E153-Y157 WeakPolarHBondContact OE2-CE2 3.23Å; E153-Y157 PolarHBondContact OE2-OH 2.85Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.01Å; Y157-V160 PolarHBondContact O-N 3.11Å; Y157-R161 WeakPolarHBondContact O-CG 3.33Å; Y157-R161 PolarHBondContact O-N 2.69Å
158T98.9Very high98.1Very high25 Ų2545 Ų4515%0.15322%0.215CC..Hα-helixtrans-62.7-40171-61.30000110.9V112 P140 I142 D154 V160 R161 E162V112-T158 HydrophobicContact CG2-CG2 3.97Å; P140-T158 HydrophobicContact CB-CG2 3.74Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; I142-T158 HydrophobicContact CD1-CG2 3.99Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.36Å; D154-T158 WeakPolarHBondContact O-CB 3.27Å; D154-T158 PolarHBondContact O-N 2.75Å; D154-T158 PolarHBondContact O-OG1 2.82Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 2.96Å; T158-R161 WeakPolarHBondContact O-CA 3.42Å; T158-R161 WeakPolarHBondContact O-CB 3.43Å; T158-R161 PolarHBondContact O-N 2.94Å; T158-R161 VanDerWaalsContact O-N 3.07Å; T158-E162 PolarHBondContact O-N 3.37Å
159L98.9Very high97.8Very high0 Ų046.6 Ų46.60%021%0.212CC..Hα-helixtrans-61.8-40175.1-177.161.4000112.4L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163L6-L159 HydrophobicContact CB-CD2 4.18Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.1Å; L6-L159 HydrophobicContact CG-CD2 4.38Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.81Å; P110-L159 HydrophobicContact CB-CD1 4.46Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.1Å; A155-L159 PolarHBondContact O-N 2.88Å; A155-L159 VanDerWaalsContact O-N 3.11Å; F156-L159 PolarHBondContact O-N 3.38Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.01Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.47Å; L159-E162 PolarHBondContact O-N 2.9Å; L159-I163 HydrophobicContact CG-CD1 4.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 2.92Å
160V98.9Very high97.3Very high0 Ų047.9 Ų47.90%022%0.22CC..Hα-helixtrans-60.2-41.2172.91720000111.3Y4 L6 I46 L53 F156 Y157 T158 I163 R164Y4-V160 HydrophobicContact CD1-CG1 4.34Å; Y4-V160 HydrophobicContact CD2-CG1 3.75Å; Y4-V160 HydrophobicContact CD2-CG2 4.19Å; Y4-V160 HydrophobicContact CE1-CG1 4.17Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.15Å; Y4-V160 HydrophobicContact CG-CG2 4.24Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; I46-V160 HydrophobicContact CD1-CB 3.82Å; I46-V160 HydrophobicContact CD1-CG1 3.89Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; L53-V160 HydrophobicContact CD2-CG2 3.55Å; F156-V160 PolarHBondContact O-N 3.16Å; F156-V160 VanDerWaalsContact O-N 3.13Å; Y157-V160 PolarHBondContact O-N 3.11Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 2.96Å; V160-I163 PolarHBondContact O-N 3.1Å; V160-R164 WeakPolarHBondContact O-CG 3.49Å; V160-R164 PolarHBondContact O-N 3.41Å
161R98.8Very high96.8Very high76 Ų7649.1 Ų49.129%0.28723%0.23SC..Hα-helixtrans-63.3-40.8175.4-66.9173.2-173123.3-2.7111.9D47 Y157 T158 L159 R164 Q165D47-R161 IonicContact OD1-CZ 3.57Å; D47-R161 IonicContact OD1-NE 3.26Å; D47-R161 PolarHBondContact OD1-NE 2.9Å; D47-R161 IonicContact OD1-NH2 3.04Å; D47-R161 PolarHBondContact OD1-NH2 3.33Å; D47-R161 WeakPolarHBondContact OD2-CG 3.42Å; D47-R161 IonicContact OD2-CZ 3.83Å; D47-R161 IonicContact OD2-NE 3.66Å; D47-R161 PolarHBondContact OD2-NE 3.13Å; D47-R161 IonicContact OD2-NH2 2.74Å; Y157-R161 WeakPolarHBondContact O-CG 3.33Å; Y157-R161 PolarHBondContact O-N 2.69Å; T158-R161 WeakPolarHBondContact O-CA 3.42Å; T158-R161 WeakPolarHBondContact O-CB 3.43Å; T158-R161 PolarHBondContact O-N 2.94Å; T158-R161 VanDerWaalsContact O-N 3.07Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.47Å; R161-R164 WeakPolarHBondContact O-CB 3.08Å; R161-R164 PolarHBondContact O-N 3.2Å; R161-Q165 WeakPolarHBondContact O-CG 3.35Å; R161-Q165 PolarHBondContact O-N 3.05Å
162E98.8Very high96.1Very high29 Ų2954.6 Ų54.614%0.13626%0.256CS..Hα-helixtrans-62.8-41.7174.4-67.7-52119.500111.8P110 V112 P140 T158 L159 R164 Q165 H166P110-E162 HydrophobicContact CB-CB 4.09Å; V112-E162 HydrophobicContact CG2-CG 4.35Å; P140-E162 HydrophobicContact CG-CG 3.84Å; T158-E162 PolarHBondContact O-N 3.37Å; L159-E162 PolarHBondContact O-N 2.9Å; E162-R164 PolarHBondContact O-N 3.03Å; E162-Q165 PolarHBondContact O-N 2.6Å; E162-H166 WeakPolarHBondContact O-CB 3.44Å; E162-H166 PolarHBondContact O-N 3.42Å
163I98.7Very high94.9Very high1 Ų159 Ų591%0.00529%0.285CS..Hα-helixtrans-62.2-44175.1-64164.8000110.9Y4 L6 E76 P110 L159 V160 H166 K167Y4-I163 HydrophobicContact CD1-CB 4.25Å; Y4-I163 HydrophobicContact CD1-CD1 4.27Å; Y4-I163 HydrophobicContact CD1-CG2 3.8Å; Y4-I163 HydrophobicContact CE1-CB 4.44Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å; E76-I163 HydrophobicContact CB-CD1 4.04Å; E76-I163 HydrophobicContact CB-CG1 4.42Å; E76-I163 HydrophobicContact CB-CG2 4.21Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.11Å; L159-I163 HydrophobicContact CG-CD1 4.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 2.92Å; V160-I163 PolarHBondContact O-N 3.1Å; I163-H166 PolarHBondContact O-N 2.79Å; I163-K167 HydrophobicContact CG2-CD 4.19Å; I163-K167 HydrophobicContact CG2-CG 4.5Å; I163-K167 WeakPolarHBondContact O-CG 3.47Å; I163-K167 PolarHBondContact O-N 2.96Å
164R98.1Very high93.6Very high38 Ų3861.5 Ų61.514%0.14331%0.307CS..Hα-helixtrans-59.3-48.8176.1-73.3170.3174.3173.7-4.1111.1Y4 I46 D47 E49 V160 R161 E162 K167 L168Y4-R164 HydrophobicContact CE1-CG 4.18Å; Y4-R164 VanDerWaalsContact OH-CG 3.28Å; Y4-R164 WeakPolarHBondContact OH-CG 3.36Å; Y4-R164 PolarHBondContact OH-NE 3.37Å; I46-R164 PolarHBondContact O-NH1 3.01Å; I46-R164 PolarHBondContact O-NH2 3.31Å; D47-R164 IonicContact OD2-NH1 2.87Å; D47-R164 PolarHBondContact OD2-NH1 2.56Å; E49-R164 IonicContact OE2-CZ 3.17Å; E49-R164 VanDerWaalsContact OE2-CZ 3.27Å; E49-R164 IonicContact OE2-NE 3.42Å; E49-R164 PolarHBondContact OE2-NE 3.41Å; E49-R164 IonicContact OE2-NH2 3.56Å; E49-R164 PolarHBondContact OE2-NH2 3.12Å; V160-R164 WeakPolarHBondContact O-CG 3.49Å; V160-R164 PolarHBondContact O-N 3.41Å; R161-R164 WeakPolarHBondContact O-CB 3.08Å; R161-R164 PolarHBondContact O-N 3.2Å; E162-R164 PolarHBondContact O-N 3.03Å; R164-K167 PolarHBondContact O-N 3.29Å; R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.08Å
165Q97.5Very high92.2Very high83 Ų8363.6 Ų63.639%0.38832%0.318SS..Hα-helixtrans-61.6-45.7178.8-72.3-177.733.100112.1R161 E162 K167 L168 R169R161-Q165 WeakPolarHBondContact O-CG 3.35Å; R161-Q165 PolarHBondContact O-N 3.05Å; E162-Q165 PolarHBondContact O-N 2.6Å; Q165-K167 VanDerWaalsContact C-N 3.35Å; Q165-K167 PolarHBondContact O-N 2.75Å; Q165-L168 WeakPolarHBondContact O-CB 2.93Å; Q165-L168 PolarHBondContact O-N 3.25Å; Q165-L168 VanDerWaalsContact O-N 3.14Å; Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 3.2Å
166H97.3Very high90.4Very high23 Ų2372.7 Ų72.711%0.10636%0.36CS..Hα-helixtrans-61.7-40.6177.1165.1-96.8000112.2D108 P110 E162 I163 L168 R169 K170D108-H166 PolarHBondContact O-NE2 2.98Å; D108-H166 IonicContact OD2-CD2 3.74Å; P110-H166 HydrophobicContact CG-CB 3.55Å; E162-H166 WeakPolarHBondContact O-CB 3.44Å; E162-H166 PolarHBondContact O-N 3.42Å; I163-H166 PolarHBondContact O-N 2.79Å; H166-L168 VanDerWaalsContact C-N 3.32Å; H166-L168 PolarHBondContact O-N 2.97Å; H166-R169 PolarHBondContact O-N 2.61Å; H166-K170 PolarHBondContact CE1-NZ 3.37Å; H166-K170 VanDerWaalsContact CE1-NZ 3.27Å; H166-K170 WeakPolarHBondContact NE2-CE 3.26Å; H166-K170 PolarHBondContact NE2-NZ 3.39Å; H166-K170 PolarHBondContact O-N 3.1Å; H166-K170 VanDerWaalsContact O-N 3.11Å
167K95.7Very high88.3Confident77 Ų7776.5 Ų76.534%0.33539%0.387SS..Hα-helixtrans-60.9-40.6172.9-74.5178.8179.9-179.20111.8E76 I163 R164 Q165 K170 L171E76-K167 VanDerWaalsContact OE1-CE 3.23Å; E76-K167 WeakPolarHBondContact OE1-CE 3.44Å; E76-K167 IonicContact OE1-NZ 3.47Å; E76-K167 PolarHBondContact OE1-NZ 2.76Å; I163-K167 HydrophobicContact CG2-CD 4.19Å; I163-K167 HydrophobicContact CG2-CG 4.5Å; I163-K167 WeakPolarHBondContact O-CG 3.47Å; I163-K167 PolarHBondContact O-N 2.96Å; R164-K167 PolarHBondContact O-N 3.29Å; Q165-K167 VanDerWaalsContact C-N 3.35Å; Q165-K167 PolarHBondContact O-N 2.75Å; K167-K170 PolarHBondContact O-N 2.88Å; K167-L171 WeakPolarHBondContact O-CG 3.29Å; K167-L171 PolarHBondContact O-N 3.18Å
168L93.7Very high85.8Confident106 Ų10677.7 Ų77.756%0.55541%0.408SS*.Hα-helixtrans-65.8-42.2176.9-68.7171000112.6R164 Q165 H166 K170 L171 N172R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.08Å; Q165-L168 WeakPolarHBondContact O-CB 2.93Å; Q165-L168 PolarHBondContact O-N 3.25Å; Q165-L168 VanDerWaalsContact O-N 3.14Å; H166-L168 VanDerWaalsContact C-N 3.32Å; H166-L168 PolarHBondContact O-N 2.97Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 2.85Å; L168-L171 PolarHBondContact O-N 2.91Å; L168-N172 PolarHBondContact O-N 3.37Å
169R90.8Very high83.4Confident111 Ų11182.5 Ų82.542%0.41944%0.44SS..Hα-helixtrans-62.2-35.7176.5-67.1173.5-161.4151.45.4112.2D108 Q165 H166 N172D108-R169 IonicContact OD1-NH1 3.73Å; D108-R169 IonicContact OD2-NH1 3.81Å; Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 3.2Å; H166-R169 PolarHBondContact O-N 2.61Å; R169-N172 CarbonylContact O-C 3.51Å; R169-N172 VanDerWaalsContact O-C 3.28Å
170K87.8Confident80.7Confident135 Ų13585.5 Ų85.559%0.58747%0.47SS*.Hα-helixtrans-70.9-29.2175.9-76.3-171.8166.9172.70113.9H166 K167 L168H166-K170 PolarHBondContact CE1-NZ 3.37Å; H166-K170 VanDerWaalsContact CE1-NZ 3.27Å; H166-K170 WeakPolarHBondContact NE2-CE 3.26Å; H166-K170 PolarHBondContact NE2-NZ 3.39Å; H166-K170 PolarHBondContact O-N 3.1Å; H166-K170 VanDerWaalsContact O-N 3.11Å; K167-K170 PolarHBondContact O-N 2.88Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 2.85Å
171L87Confident77.9Confident134 Ų13491.2 Ų91.270%0.70251%0.509SS*.Hα-helixtrans-80.5-34.1177-69170.6000112.3K167 L168 P173K167-L171 WeakPolarHBondContact O-CG 3.29Å; K167-L171 PolarHBondContact O-N 3.18Å; L168-L171 PolarHBondContact O-N 2.91Å; L171-P173 VanDerWaalsContact C-CD 3.47Å; L171-P173 WeakPolarHBondContact O-CD 3.16Å
172N83.7Confident75.3Confident124 Ų12496.6 Ų96.666%0.66354%0.539SS*.SBendtrans-120.572.1179.3-61.9-32.7000109.3L168 R169L168-N172 PolarHBondContact O-N 3.37Å; R169-N172 CarbonylContact O-C 3.51Å; R169-N172 VanDerWaalsContact O-C 3.28Å
173P75Confident72.5Confident93 Ų9399.7 Ų99.760%0.60456%0.564SS**  trans-56.7139.5175.124.7-32.3000108.8L171 D175L171-P173 VanDerWaalsContact C-CD 3.47Å; L171-P173 WeakPolarHBondContact O-CD 3.16Å; P173-D175 PolarHBondContact O-N 3.02Å
174P69.9Low69.7Low112 Ų112105.3 Ų105.373%0.72760%0.602SS**  trans-54.4132.9172.723.6-31.4000108.1E176P174-E176 PolarHBondContact O-N 3.49Å
175D70.2Confident66.9Low137 Ų137113 Ų11373%0.73364%0.637SS**  trans-59.6111.5178-160.91.8000107.4P173 S177P173-D175 PolarHBondContact O-N 3.02Å; D175-S177 PolarHBondContact O-N 3.06Å; D175-S177 PolarHBondContact OD1-OG 2.83Å; D175-S177 PolarHBondContact OD2-OG 2.99Å
176E61.9Low64.3Low192 Ų192114.1 Ų114.190%0.89765%0.652SS**  trans-68.37.7178-70.3-160.4143.300112P174 G178P174-E176 PolarHBondContact O-N 3.49Å; E176-G178 PolarHBondContact O-N 3.14Å
177S53Low61.7Low82 Ų82118.8 Ų118.857%0.57368%0.682SS**  trans-70.842.3169.768.10000113.3D175D175-S177 PolarHBondContact O-N 3.06Å; D175-S177 PolarHBondContact OD1-OG 2.83Å; D175-S177 PolarHBondContact OD2-OG 2.99Å
178G47.7Very low59.2Low53 Ų53123.1 Ų123.155%0.54671%0.708SS.*SBendtrans-66.8131.4154.100000108.2E176 G180E176-G178 PolarHBondContact O-N 3.14Å; G178-G180 PolarHBondContact O-N 2.95Å
179P47.1Very low56.8Low127 Ų127126.5 Ų126.583%0.82574%0.741SS**PPolyproline II helixtrans-58.5117-170.622.5-30.9000109.5C181P179-C181 PolarHBondContact O-N 3.13Å
180G42.9Very low55.1Low62 Ų62127.3 Ų127.364%0.63976%0.757SS**PPolyproline II helixtrans-46.1120.3171.200000108.8G178 M182G178-G180 PolarHBondContact O-N 2.95Å; G180-M182 PolarHBondContact O-N 2.86Å
181C40.6Very low53.4Low121 Ų121126.9 Ų126.982%0.81877%0.766SS**  trans-62.782.7170.4179.60000108.1P179 S183P179-C181 PolarHBondContact O-N 3.13Å; C181-S183 PolarHBondContact O-N 3.18Å
182M42.9Very low51.5Low188 Ų188126.5 Ų126.593%0.92677%0.77SS**  trans-77.868.1168.4-78-158.1-83.600108.8G180G180-M182 PolarHBondContact O-N 2.86Å
183S41.4Very low49.6Very low94 Ų94126.6 Ų126.666%0.65778%0.776SS**  trans-167.883.2163.3-178.50000111.8C181C181-S183 PolarHBondContact O-N 3.18Å
184C38.9Very low48Very low119 Ų119128.8 Ų128.880%0.80479%0.787SS**  trans-157.359.6145.7-101.10000108.6C186C184-C186 PolarHBondContact O-N 2.88Å
185K39.7Very low46.6Very low201 Ų201129.9 Ų129.987%0.87479%0.791SS**  trans-74.386155.4-82-172.8176.5-178.70106.5V187K185-V187 VanDerWaalsContact C-N 3.3Å; K185-V187 PolarHBondContact O-N 3.42Å
186C42.3Very low44.9Very low105 Ų105129.4 Ų129.471%0.70980%0.795SS**  trans-60.4100160.8-71.30000107.1C184 L188C184-C186 PolarHBondContact O-N 2.88Å; C186-L188 VanDerWaalsContact C-N 3.33Å; C186-L188 PolarHBondContact O-N 3.44Å; C186-L188 VanDerWaalsContact O-N 3.09Å
187V43.8Very low43.6Very low121 Ų121124.5 Ų124.573%0.73379%0.787SS**  trans-70.697165.2-177.90000105.5K185 S189K185-V187 VanDerWaalsContact C-N 3.3Å; K185-V187 PolarHBondContact O-N 3.42Å; V187-S189 PolarHBondContact O-N 3.29Å
188L43.1Very low42.8Very low169 Ų169128.1 Ų128.189%0.88581%0.805SS**  trans-77.397.6161.7-78.8157.2000106.2C186C186-L188 VanDerWaalsContact C-N 3.33Å; C186-L188 PolarHBondContact O-N 3.44Å; C186-L188 VanDerWaalsContact O-N 3.09Å
189S43.6Very low42.4Very low177 Ų177134.9 Ų134.9100%1.23883%0.828SS**  trans-80.10156.7-62.10000110V187V187-S189 PolarHBondContact O-N 3.29Å

Retrieved 189 of 189 residues in 37.7 ms (Link to these results)

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