TRMHL_STAAE Loading...

Putative TrmH family tRNA/rRNA methyltransferase

AlphaFold DB (Q2G2M3), UniProt , Accession Q9AGT0, Species STAAE (Staphylococcus aureus (strain Newman)), Gene n/a, Length 248 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
1M44.7Very low82.3Confident233 Ų23382.4 Ų82.4100%1.14843%0.428SS*.  0101.70-104170.417400106.3
2E57.9Low83.5Confident174 Ų17475.5 Ų75.581%0.81339%0.392SS*.  trans-71.7157.2-176.7-67.4162.2160.600109.5
3D64.3Low84.4Confident26 Ų2675.2 Ų75.214%0.13938%0.383CS..SBendtrans-11.1126.4177.3-65-6000115.5V5 N23 L72 I73D3-V5 VanDerWaalsContact O-CG2 3.25Å; D3-V5 WeakPolarHBondContact O-CG2 3.29Å; D3-V5 PolarHBondContact O-N 3.11Å; D3-V5 VanDerWaalsContact O-N 3.15Å; D3-N23 PolarHBondContact OD2-ND2 2.95Å; D3-L72 HydrophobicContact CB-CB 4.11Å; D3-I73 WeakPolarHBondContact CB-O 3.29Å
4T83.7Confident85.1Confident106 Ų10675.8 Ų75.865%0.6538%0.383SS*.EExtended strand (participates in β ladder)trans-54.5124.8172.9-60.60000109I73T4-I73 VanDerWaalsContact O-CB 3.26Å; T4-I73 WeakPolarHBondContact O-CB 3.47Å; T4-I73 VanDerWaalsContact O-CG1 3.3Å; T4-I73 WeakPolarHBondContact O-CG1 3.46Å; T4-I73 PolarHBondContact O-N 3.27Å
5V91Very high85.7Confident44 Ų4471 Ų7127%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-102.4125-176.4-1700000110.1D3 V7 L61 A70 A71 L72D3-V5 VanDerWaalsContact O-CG2 3.25Å; D3-V5 WeakPolarHBondContact O-CG2 3.29Å; D3-V5 PolarHBondContact O-N 3.11Å; D3-V5 VanDerWaalsContact O-N 3.15Å; V5-V7 HydrophobicContact CG1-CG1 3.58Å; V5-L61 HydrophobicContact CG1-CB 4.24Å; V5-L61 HydrophobicContact CG2-CD2 4.33Å; V5-A70 HydrophobicContact CG1-CB 4.11Å; V5-A71 WeakPolarHBondContact CA-O 3.5Å; V5-L72 HydrophobicContact CB-CD2 4.45Å; V5-L72 HydrophobicContact CG1-CD2 4.14Å; V5-L72 HydrophobicContact CG2-CD2 3.74Å
6I93.7Very high86.2Confident35 Ų3566.6 Ų66.618%0.17934%0.338CS..EExtended strand (participates in β ladder)trans-101126.7167.2-60.8-177.3000108A11 V12 A15 A70 A71 I73I6-A11 HydrophobicContact CG2-CB 3.59Å; I6-V12 HydrophobicContact CG2-CG2 4.25Å; I6-V12 WeakPolarHBondContact O-CG2 3.46Å; I6-A15 HydrophobicContact CD1-CB 3.67Å; I6-A70 CarbonylContact O-C 3.46Å; I6-A70 VanDerWaalsContact O-CA 3.29Å; I6-A70 WeakPolarHBondContact O-CA 3.48Å; I6-A71 HydrophobicContact CB-CB 4.45Å; I6-A71 PolarHBondContact N-O 3.44Å; I6-A71 PolarHBondContact O-N 3.33Å; I6-I73 HydrophobicContact CD1-CD1 3.79Å; I6-I73 HydrophobicContact CD1-CG1 3.91Å; I6-I73 HydrophobicContact CG1-CD1 4.15Å; I6-I73 HydrophobicContact CG1-CG1 3.93Å
7V94.4Very high86.5Confident30 Ų3067.5 Ų67.518%0.18234%0.343CS..EExtended strand (participates in β ladder)trans-121.4151.3-177.9-57.40000112.1V5 A62 A64 H66 A70V5-V7 HydrophobicContact CG1-CG1 3.58Å; V7-A62 HydrophobicContact CB-CB 4.4Å; V7-A62 HydrophobicContact CG1-CB 3.56Å; V7-A62 HydrophobicContact CG2-CB 4.03Å; V7-A64 HydrophobicContact CG2-CB 3.9Å; V7-H66 HydrophobicContact CB-CB 3.96Å; V7-H66 HydrophobicContact CG1-CB 4.37Å; V7-A70 HydrophobicContact CG1-CB 3.92Å
8G93.8Very high86.7Confident7 Ų768.2 Ų68.27%0.07235%0.351CS..SBendtrans96.1145.7-178.700000112.8H10 A11 V12 H66 V69G8-H10 PolarHBondContact O-N 3.49Å; G8-A11 PolarHBondContact O-N 3.03Å; G8-V12 WeakPolarHBondContact O-CB 3.31Å; G8-V12 VanDerWaalsContact O-CG2 3.28Å; G8-V12 WeakPolarHBondContact O-CG2 3.44Å; G8-V12 PolarHBondContact O-N 3.18Å; G8-H66 VanDerWaalsContact CA-O 3.31Å; G8-H66 WeakPolarHBondContact CA-O 3.3Å; G8-H66 PolarHBondContact N-O 3.13Å; G8-V69 PolarHBondContact N-O 3.37Å; G8-V69 VanDerWaalsContact N-O 3.08Å
9R94.6Very high86.6Confident74 Ų7467.2 Ų67.228%0.27936%0.359SS..Hα-helixtrans-63.4-46.6-169.2-67.9171.9-66.4176.6-1112.8R13 I36 I39 Q67 V69R9-R13 WeakPolarHBondContact O-CB 3.45Å; R9-R13 PolarHBondContact O-N 2.87Å; R9-I36 HydrophobicContact CG-CG2 4.35Å; R9-I39 HydrophobicContact CB-CD1 4.02Å; R9-I39 HydrophobicContact CG-CD1 4.3Å; R9-I39 WeakPolarHBondContact O-CD1 3.3Å; R9-Q67 HydrophobicContact CG-CB 4.05Å; R9-V69 HydrophobicContact CG-CB 4.46Å; R9-V69 HydrophobicContact CG-CG2 3.91Å
10H93.5Very high86.5Confident133 Ų13368.1 Ų68.162%0.61636%0.36SS*.Hα-helixtrans-65.4-45.7-179.9-69.3-71.3000111.8G8 R13 E14G8-H10 PolarHBondContact O-N 3.49Å; H10-R13 PolarHBondContact O-N 3.06Å; H10-E14 WeakPolarHBondContact O-CB 3.37Å; H10-E14 PolarHBondContact O-N 3.38Å
11A93.9Very high86.4Confident44 Ų4466.9 Ų66.936%0.36436%0.356SS..Hα-helixtrans-64.3-43.9-179.900000111.7I6 G8 E14 A15I6-A11 HydrophobicContact CG2-CB 3.59Å; G8-A11 PolarHBondContact O-N 3.03Å; A11-E14 PolarHBondContact O-N 3.27Å; A11-A15 WeakPolarHBondContact O-CB 3.43Å; A11-A15 PolarHBondContact O-N 3.29Å
12V96.4Very high88.5Confident0 Ų056.7 Ų56.70%031%0.307CS..Hα-helixtrans-64-44175.4169.90000111.3I6 G8 E14 A15 I16 I25 I39 V69 A71I6-V12 HydrophobicContact CG2-CG2 4.25Å; I6-V12 WeakPolarHBondContact O-CG2 3.46Å; G8-V12 WeakPolarHBondContact O-CB 3.31Å; G8-V12 VanDerWaalsContact O-CG2 3.28Å; G8-V12 WeakPolarHBondContact O-CG2 3.44Å; G8-V12 PolarHBondContact O-N 3.18Å; V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 2.92Å; V12-A15 PolarHBondContact O-N 3.49Å; V12-I16 HydrophobicContact CG1-CD1 4.03Å; V12-I16 WeakPolarHBondContact O-CD1 3.37Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 2.94Å; V12-I25 HydrophobicContact CG1-CG1 4.45Å; V12-I25 HydrophobicContact CG1-CG2 4.29Å; V12-I39 HydrophobicContact CG1-CD1 4.42Å; V12-I39 HydrophobicContact CG1-CG2 4.1Å; V12-V69 HydrophobicContact CB-CG1 4.13Å; V12-V69 HydrophobicContact CG1-CG1 3.83Å; V12-V69 HydrophobicContact CG2-CG1 4.07Å; V12-A71 HydrophobicContact CG1-CB 4.08Å; V12-A71 HydrophobicContact CG2-CB 3.94Å
13R95.3Very high89.9Confident72 Ų7248.6 Ų48.627%0.27227%0.269SS..Hα-helixtrans-59-44.6176.4-171.4-158.969123.212.7111.2R9 H10 I16 I17 E38 I39R9-R13 WeakPolarHBondContact O-CB 3.45Å; R9-R13 PolarHBondContact O-N 2.87Å; H10-R13 PolarHBondContact O-N 3.06Å; R13-I16 PolarHBondContact O-N 2.89Å; R13-I17 HydrophobicContact CG-CD1 3.97Å; R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.5Å; R13-I17 PolarHBondContact O-N 2.87Å; R13-E38 WeakPolarHBondContact CD-OE2 3.49Å; R13-E38 IonicContact NH1-OE2 3.38Å; R13-E38 PolarHBondContact NH1-OE2 3.33Å; R13-I39 HydrophobicContact CB-CD1 4.49Å; R13-I39 HydrophobicContact CB-CG1 3.91Å; R13-I39 HydrophobicContact CG-CG1 4.34Å
14E94.7Very high91.1Very high83 Ų8350 Ų5039%0.38827%0.274SS..Hα-helixtrans-66.8-41.3179.4-16158.6-145.900111.8H10 A11 V12 I16 I17 T18H10-E14 WeakPolarHBondContact O-CB 3.37Å; H10-E14 PolarHBondContact O-N 3.38Å; A11-E14 PolarHBondContact O-N 3.27Å; V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 2.92Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.46Å; E14-I17 PolarHBondContact O-N 3.04Å; E14-T18 HydrophobicContact CG-CG2 4.3Å; E14-T18 WeakPolarHBondContact O-CB 3.45Å; E14-T18 WeakPolarHBondContact O-CG2 3.25Å; E14-T18 PolarHBondContact O-N 3.48Å; E14-T18 PolarHBondContact O-OG1 3.21Å
15A93.4Very high91.7Very high4 Ų445 Ų453%0.03324%0.243CC..Hα-helixtrans-58.9-39.9175.300000112.1I6 A11 V12 T18 G19 H20 I22I6-A15 HydrophobicContact CD1-CB 3.67Å; A11-A15 WeakPolarHBondContact O-CB 3.43Å; A11-A15 PolarHBondContact O-N 3.29Å; V12-A15 PolarHBondContact O-N 3.49Å; A15-T18 PolarHBondContact O-OG1 2.89Å; A15-G19 PolarHBondContact O-N 3.09Å; A15-H20 HydrophobicContact CB-CB 4.22Å; A15-H20 WeakPolarHBondContact O-CB 3.35Å; A15-H20 PolarHBondContact O-N 3.12Å; A15-H20 PolarHBondContact O-ND1 3.08Å; A15-I22 HydrophobicContact CB-CD1 4.12Å
16I94Very high91.9Very high0 Ų043 Ų430%023%0.231CC..Hα-helixtrans-64.7-52.1174.2-61.6161.1000109.9V12 R13 E14 T18 G19 I22 I25 I39 N42 Q46 I48V12-I16 HydrophobicContact CG1-CD1 4.03Å; V12-I16 WeakPolarHBondContact O-CD1 3.37Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 2.94Å; R13-I16 PolarHBondContact O-N 2.89Å; E14-I16 VanDerWaalsContact C-N 3.28Å; E14-I16 PolarHBondContact O-N 3.46Å; I16-T18 VanDerWaalsContact C-N 3.31Å; I16-T18 PolarHBondContact O-N 3.28Å; I16-G19 PolarHBondContact O-N 3.3Å; I16-I22 HydrophobicContact CB-CD1 4.27Å; I16-I22 HydrophobicContact CG1-CD1 3.52Å; I16-I25 HydrophobicContact CD1-CD1 3.46Å; I16-I25 VanDerWaalsContact CD1-CD1 3.46Å; I16-I25 HydrophobicContact CG1-CD1 3.94Å; I16-I39 HydrophobicContact CD1-CG2 3.81Å; I16-N42 HydrophobicContact CG2-CB 3.57Å; I16-Q46 HydrophobicContact CG2-CG 4.45Å; I16-Q46 VanDerWaalsContact CG2-OE1 3.31Å; I16-Q46 PolarHBondContact O-NE2 2.81Å; I16-Q46 PolarHBondContact O-OE1 2.98Å; I16-Q46 VanDerWaalsContact O-OE1 3.13Å; I16-I48 HydrophobicContact CG1-CD1 4.21Å; I16-I48 HydrophobicContact CG2-CD1 4.05Å
17I91.6Very high92.1Very high83 Ų8341.7 Ų41.743%0.42622%0.224SC..Hα-helixtrans-60.8-41-176-68.8166.6000111.8R13 E14 G19R13-I17 HydrophobicContact CG-CD1 3.97Å; R13-I17 VanDerWaalsContact O-CG1 3.31Å; R13-I17 WeakPolarHBondContact O-CG1 3.5Å; R13-I17 PolarHBondContact O-N 2.87Å; E14-I17 PolarHBondContact O-N 3.04Å; I17-G19 PolarHBondContact O-N 3.05Å
18T90Very high92.2Very high80 Ų8042.6 Ų42.649%0.49123%0.226SC..THydrogen-bonded Turntrans-77.2-3.4179.453.10000113.9E14 A15 I16 H20E14-T18 HydrophobicContact CG-CG2 4.3Å; E14-T18 WeakPolarHBondContact O-CB 3.45Å; E14-T18 WeakPolarHBondContact O-CG2 3.25Å; E14-T18 PolarHBondContact O-N 3.48Å; E14-T18 PolarHBondContact O-OG1 3.21Å; A15-T18 PolarHBondContact O-OG1 2.89Å; I16-T18 VanDerWaalsContact C-N 3.31Å; I16-T18 PolarHBondContact O-N 3.28Å; T18-H20 PolarHBondContact OG1-CE1 3.42Å; T18-H20 VanDerWaalsContact OG1-CE1 3.23Å; T18-H20 PolarHBondContact OG1-ND1 2.76Å
19G84.5Confident92.3Very high48 Ų4847.4 Ų47.450%0.49525%0.247SC..THydrogen-bonded Turntrans75.329.9175.400000114.2A15 I16 I17A15-G19 PolarHBondContact O-N 3.09Å; I16-G19 PolarHBondContact O-N 3.3Å; I17-G19 PolarHBondContact O-N 3.05Å
20H85.7Confident92.2Very high85 Ų8547.8 Ų47.839%0.39427%0.274SS..  trans-57.3146.2171-75.763.9000110.1A15 T18 I22 I73A15-H20 HydrophobicContact CB-CB 4.22Å; A15-H20 WeakPolarHBondContact O-CB 3.35Å; A15-H20 PolarHBondContact O-N 3.12Å; A15-H20 PolarHBondContact O-ND1 3.08Å; T18-H20 PolarHBondContact OG1-CE1 3.42Å; T18-H20 VanDerWaalsContact OG1-CE1 3.23Å; T18-H20 PolarHBondContact OG1-ND1 2.76Å; H20-I22 VanDerWaalsContact C-N 3.26Å; H20-I22 HydrophobicContact CB-CG1 4.25Å; H20-I22 PolarHBondContact O-N 3.45Å; H20-I73 HydrophobicContact CB-CD1 4.18Å
21P83.5Confident92.1Very high43 Ų4343 Ų4328%0.27925%0.252SS..  trans-7278.6179.829-35000110.8N23 I73 A74 E77P21-N23 PolarHBondContact O-N 2.94Å; P21-I73 HydrophobicContact CG-CG2 3.96Å; P21-I73 CarbonylContact O-C 3.59Å; P21-A74 HydrophobicContact CB-CB 4.43Å; P21-A74 WeakPolarHBondContact O-CA 3.35Å; P21-A74 VanDerWaalsContact O-CB 3.3Å; P21-A74 WeakPolarHBondContact O-CB 3.25Å; P21-A74 PolarHBondContact O-N 3.49Å; P21-E77 HydrophobicContact CB-CG 3.82Å; P21-E77 HydrophobicContact CG-CG 4.38Å
22I89.5Confident92Very high20 Ų2047.5 Ų47.510%0.10326%0.264CS..EExtended strand (participates in β ladder)trans-82.5119.4-175.4-64.4163.9000110A15 I16 H20 I25 I48 A71 I73A15-I22 HydrophobicContact CB-CD1 4.12Å; I16-I22 HydrophobicContact CB-CD1 4.27Å; I16-I22 HydrophobicContact CG1-CD1 3.52Å; H20-I22 VanDerWaalsContact C-N 3.26Å; H20-I22 HydrophobicContact CB-CG1 4.25Å; H20-I22 PolarHBondContact O-N 3.45Å; I22-I25 HydrophobicContact CG2-CG1 3.93Å; I22-I48 HydrophobicContact CB-CD1 4.26Å; I22-I48 HydrophobicContact CB-CG2 4.35Å; I22-I48 HydrophobicContact CD1-CD1 4.16Å; I22-I48 HydrophobicContact CG2-CG2 3.79Å; I22-A71 HydrophobicContact CD1-CB 4.39Å; I22-A71 HydrophobicContact CG1-CB 4.37Å; I22-A71 HydrophobicContact CG2-CB 4.11Å; I22-I73 HydrophobicContact CG1-CD1 3.61Å
23N86.1Confident91.6Very high3 Ų355.2 Ų55.22%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-68.4-50.4174.1-171.48.4000111.4D3 P21 L72 A74 T133 R153D3-N23 PolarHBondContact OD2-ND2 2.95Å; P21-N23 PolarHBondContact O-N 2.94Å; N23-L72 HydrophobicContact CB-CB 4.48Å; N23-L72 WeakPolarHBondContact CB-O 3.29Å; N23-L72 PolarHBondContact N-O 2.92Å; N23-A74 HydrophobicContact CB-CB 4.05Å; N23-T133 PolarHBondContact ND2-OG1 3.35Å; N23-T133 VanDerWaalsContact OD1-CG2 3.29Å; N23-T133 WeakPolarHBondContact OD1-CG2 3.37Å; N23-R153 PolarHBondContact OD1-NH1 2.92Å
24K91Very high91.5Very high57 Ų5760 Ų6025%0.24832%0.323CS..EExtended strand (participates in β ladder)trans-159.6152.1176.770.5-166.483.5172.20111.6L26 I49 L72K24-L26 HydrophobicContact CD-CD2 3.94Å; K24-L26 HydrophobicContact CG-CD2 3.96Å; K24-L26 HydrophobicContact CG-CG 4.48Å; K24-I49 CarbonylContact C-O 3.52Å; K24-I49 WeakPolarHBondContact CA-O 3.45Å; K24-I49 HydrophobicContact CB-CB 4.19Å; K24-I49 HydrophobicContact CB-CG2 4.34Å; K24-L72 HydrophobicContact CD-CD1 3.84Å; K24-L72 HydrophobicContact CG-CB 4.22Å; K24-L72 HydrophobicContact CG-CD1 3.78Å; K24-L72 HydrophobicContact CG-CG 4.11Å; K24-L72 PolarHBondContact O-N 3.33Å
25I95.3Very high91.2Very high0 Ų061 Ų610%033%0.327CS..EExtended strand (participates in β ladder)trans-102.1129.8170.7-62.7161.1000108.2V12 I16 I22 I27 I39 A43 I48 I49 V50 Q51 V69 A70 A71V12-I25 HydrophobicContact CG1-CG1 4.45Å; V12-I25 HydrophobicContact CG1-CG2 4.29Å; I16-I25 HydrophobicContact CD1-CD1 3.46Å; I16-I25 VanDerWaalsContact CD1-CD1 3.46Å; I16-I25 HydrophobicContact CG1-CD1 3.94Å; I22-I25 HydrophobicContact CG2-CG1 3.93Å; I25-I27 HydrophobicContact CG2-CD1 4.41Å; I25-I27 HydrophobicContact CG2-CG1 4.02Å; I25-I39 HydrophobicContact CD1-CG2 4.42Å; I25-I39 HydrophobicContact CG2-CG2 4.3Å; I25-A43 HydrophobicContact CD1-CB 3.56Å; I25-I48 HydrophobicContact CD1-CB 4.36Å; I25-I48 HydrophobicContact CD1-CG2 3.73Å; I25-I48 HydrophobicContact CG1-CG2 3.93Å; I25-I49 PolarHBondContact N-O 2.79Å; I25-V50 HydrophobicContact CB-CG2 4.34Å; I25-V50 HydrophobicContact CD1-CG2 4.47Å; I25-V50 CarbonylContact O-C 3.58Å; I25-V50 WeakPolarHBondContact O-CA 3.2Å; I25-Q51 PolarHBondContact O-N 3.25Å; I25-V69 HydrophobicContact CG2-CG1 3.89Å; I25-A70 CarbonylContact C-O 3.53Å; I25-A70 WeakPolarHBondContact CA-O 3.4Å; I25-A71 HydrophobicContact CG1-CB 4.39Å
26L95.9Very high91.3Very high2 Ų261 Ų611%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-104.1132.2176.8-56.2-176000109.5K24 Q51 V53 L58 L61 V69 A70 L72K24-L26 HydrophobicContact CD-CD2 3.94Å; K24-L26 HydrophobicContact CG-CD2 3.96Å; K24-L26 HydrophobicContact CG-CG 4.48Å; L26-Q51 CarbonylContact C-O 3.46Å; L26-Q51 WeakPolarHBondContact CA-O 3.28Å; L26-Q51 HydrophobicContact CD2-CB 3.98Å; L26-V53 HydrophobicContact CB-CG2 4.01Å; L26-V53 HydrophobicContact CD2-CG1 4.03Å; L26-L58 HydrophobicContact CB-CD2 3.72Å; L26-L58 HydrophobicContact CD1-CD2 4.41Å; L26-L61 HydrophobicContact CD1-CD1 3.36Å; L26-V69 WeakPolarHBondContact O-CA 3.4Å; L26-A70 HydrophobicContact CB-CB 4.49Å; L26-A70 PolarHBondContact N-O 2.86Å; L26-A70 PolarHBondContact O-N 2.95Å; L26-L72 HydrophobicContact CD1-CD1 4.26Å; L26-L72 HydrophobicContact CD1-CG 4.32Å
27I97.2Very high91.3Very high8 Ų866.1 Ų66.14%0.04135%0.354CS..EExtended strand (participates in β ladder)trans-125.9131.4-176.2-59.5-168.5000109.3I25 E29 I31 I36 L40 V50 Q51 T52 V53I25-I27 HydrophobicContact CG2-CD1 4.41Å; I25-I27 HydrophobicContact CG2-CG1 4.02Å; I27-E29 PolarHBondContact O-N 3.16Å; I27-I31 HydrophobicContact CG2-CG2 3.37Å; I27-I36 HydrophobicContact CD1-CD1 3.78Å; I27-I36 HydrophobicContact CG2-CD1 3.66Å; I27-L40 HydrophobicContact CD1-CD2 3.5Å; I27-L40 HydrophobicContact CD1-CG 4.36Å; I27-V50 HydrophobicContact CD1-CG1 3.26Å; I27-V50 HydrophobicContact CG1-CG1 3.77Å; I27-Q51 PolarHBondContact N-O 2.71Å; I27-T52 CarbonylContact O-C 3.45Å; I27-T52 VanDerWaalsContact O-CA 3.22Å; I27-T52 WeakPolarHBondContact O-CA 3.38Å; I27-V53 PolarHBondContact O-N 2.77Å
28Q96.7Very high91.4Very high48 Ų4867.6 Ų67.622%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-64.1135179.7-165.8-173.1-59.800111.3I31 V53 K55 L58 H66 G68Q28-I31 WeakPolarHBondContact O-CB 3.34Å; Q28-I31 VanDerWaalsContact O-CG2 3.25Å; Q28-I31 WeakPolarHBondContact O-CG2 3.34Å; Q28-I31 PolarHBondContact O-N 3.02Å; Q28-V53 CarbonylContact C-O 3.54Å; Q28-V53 WeakPolarHBondContact CA-O 3.08Å; Q28-K55 HydrophobicContact CG-CB 3.92Å; Q28-K55 HydrophobicContact CG-CG 4.3Å; Q28-L58 HydrophobicContact CB-CD1 3.69Å; Q28-L58 HydrophobicContact CG-CD1 4.28Å; Q28-H66 PolarHBondContact OE1-CE1 2.94Å; Q28-G68 WeakPolarHBondContact CB-O 3.41Å; Q28-G68 PolarHBondContact N-O 2.76Å
29E95.9Very high91.7Very high108 Ų10864 Ų6451%0.50534%0.337SS..THydrogen-bonded Turntrans-53.5138.7166.8-72.7172.2-166.100111.6I27 I31 T52 V53 P54I27-E29 PolarHBondContact O-N 3.16Å; E29-I31 VanDerWaalsContact C-N 3.27Å; E29-I31 PolarHBondContact O-N 3.37Å; E29-T52 HydrophobicContact CB-CG2 4.3Å; E29-T52 HydrophobicContact CG-CG2 3.56Å; E29-V53 PolarHBondContact N-O 3.47Å; E29-P54 WeakPolarHBondContact OE1-CD 3.39Å
30G92.3Very high92.2Very high83 Ų8364 Ų6486%0.85633%0.326SS*.THydrogen-bonded Turntrans770.2179.900000115.8
31I92.6Very high92.7Very high31 Ų3166.2 Ų66.216%0.15933%0.334CS..  trans-63.4140.9175.5-163.9164.1000111.4I27 Q28 E29 K33 I36 V69I27-I31 HydrophobicContact CG2-CG2 3.37Å; Q28-I31 WeakPolarHBondContact O-CB 3.34Å; Q28-I31 VanDerWaalsContact O-CG2 3.25Å; Q28-I31 WeakPolarHBondContact O-CG2 3.34Å; Q28-I31 PolarHBondContact O-N 3.02Å; E29-I31 VanDerWaalsContact C-N 3.27Å; E29-I31 PolarHBondContact O-N 3.37Å; I31-K33 PolarHBondContact O-N 3.1Å; I31-I36 HydrophobicContact CD1-CG2 3.66Å; I31-I36 HydrophobicContact CG1-CG2 4.42Å; I31-I36 HydrophobicContact CG2-CD1 3.67Å; I31-I36 HydrophobicContact CG2-CG1 4.48Å; I31-V69 HydrophobicContact CD1-CG2 4.19Å
32K91.6Very high93.1Very high139 Ų13965.9 Ų65.960%0.60433%0.33SS*.  trans-71.9118.4176.2-66-176.6179.8-177.50109.6Q34 Q35K32-Q34 PolarHBondContact O-N 3.44Å; K32-Q35 HydrophobicContact CB-CG 4.17Å; K32-Q35 WeakPolarHBondContact O-CB 3.41Å; K32-Q35 PolarHBondContact O-N 3.15Å
33K88.2Confident93.3Very high162 Ų16265 Ų6570%0.70433%0.325SS*.G310 helixtrans-51.3-34.1179.7-70.8-174.2177.8179.60113.9I31 Q35 I36 N37I31-K33 PolarHBondContact O-N 3.1Å; K33-Q35 PolarHBondContact O-N 2.82Å; K33-I36 CarbonylContact O-C 3.53Å; K33-I36 WeakPolarHBondContact O-CG1 3.22Å; K33-I36 PolarHBondContact O-N 2.9Å; K33-I36 VanDerWaalsContact O-N 3.1Å; K33-N37 PolarHBondContact O-N 3.06Å
34Q91.3Very high93.6Very high174 Ų17472.7 Ų72.781%0.81336%0.359SS*.G310 helixtrans-56-33.1176.1-69.7163.1-15.900112.9K32 I36K32-Q34 PolarHBondContact O-N 3.44Å; Q34-I36 VanDerWaalsContact C-N 3.29Å; Q34-I36 PolarHBondContact O-N 2.89Å
35Q90Very high93.5Very high102 Ų10274.9 Ų74.948%0.47737%0.373SS..G310 helixtrans-77.3-14.8-178.4-65-179.1-14.200113.8K32 K33K32-Q35 HydrophobicContact CB-CG 4.17Å; K32-Q35 WeakPolarHBondContact O-CB 3.41Å; K32-Q35 PolarHBondContact O-N 3.15Å; K33-Q35 PolarHBondContact O-N 2.82Å
36I94Very high93Very high5 Ų579 Ų793%0.02639%0.392CS..G310 helixtrans-130.415.3-173.556.1162.8000112R9 I27 I31 K33 Q34 E38 I39 L40 V69R9-I36 HydrophobicContact CG-CG2 4.35Å; I27-I36 HydrophobicContact CD1-CD1 3.78Å; I27-I36 HydrophobicContact CG2-CD1 3.66Å; I31-I36 HydrophobicContact CD1-CG2 3.66Å; I31-I36 HydrophobicContact CG1-CG2 4.42Å; I31-I36 HydrophobicContact CG2-CD1 3.67Å; I31-I36 HydrophobicContact CG2-CG1 4.48Å; K33-I36 CarbonylContact O-C 3.53Å; K33-I36 WeakPolarHBondContact O-CG1 3.22Å; K33-I36 PolarHBondContact O-N 2.9Å; K33-I36 VanDerWaalsContact O-N 3.1Å; Q34-I36 VanDerWaalsContact C-N 3.29Å; Q34-I36 PolarHBondContact O-N 2.89Å; I36-E38 VanDerWaalsContact C-N 3.34Å; I36-E38 PolarHBondContact O-N 3.42Å; I36-I39 HydrophobicContact CG2-CD1 4.43Å; I36-I39 PolarHBondContact O-N 3.34Å; I36-I39 VanDerWaalsContact O-N 3.16Å; I36-L40 HydrophobicContact CD1-CD1 3.81Å; I36-L40 HydrophobicContact CD1-CD2 4.42Å; I36-L40 HydrophobicContact CD1-CG 4.05Å; I36-L40 HydrophobicContact CG1-CD1 4.02Å; I36-L40 HydrophobicContact CG1-CG 4.29Å; I36-L40 WeakPolarHBondContact O-CG 3.21Å; I36-L40 PolarHBondContact O-N 2.87Å; I36-V69 HydrophobicContact CG2-CG2 3.59Å
37N94.5Very high92.5Very high107 Ų10785 Ų8557%0.57242%0.419SS*.Hα-helixtrans-60.6-43.1-172.6-170.737.1000112.1K33 L40 K41K33-N37 PolarHBondContact O-N 3.06Å; N37-L40 PolarHBondContact O-N 2.8Å; N37-K41 WeakPolarHBondContact O-CB 3.43Å; N37-K41 PolarHBondContact O-N 3.47Å
38E94.3Very high92.1Very high114 Ų11486 Ų8653%0.53342%0.423SS..Hα-helixtrans-63.5-41.9176.2-67.1-173179.400112.2R13 I36 K41 N42R13-E38 WeakPolarHBondContact CD-OE2 3.49Å; R13-E38 IonicContact NH1-OE2 3.38Å; R13-E38 PolarHBondContact NH1-OE2 3.33Å; I36-E38 VanDerWaalsContact C-N 3.34Å; I36-E38 PolarHBondContact O-N 3.42Å; E38-K41 PolarHBondContact O-N 2.84Å; E38-N42 WeakPolarHBondContact O-CB 3.44Å; E38-N42 PolarHBondContact O-N 3.33Å; E38-N42 PolarHBondContact O-OD1 2.87Å
39I96Very high91.7Very high4 Ų485.3 Ų85.32%0.02142%0.421CS..Hα-helixtrans-61.4-48.1177.2-63.9174.1000109.9R9 V12 R13 I16 I25 I36 K41 A43 V69R9-I39 HydrophobicContact CB-CD1 4.02Å; R9-I39 HydrophobicContact CG-CD1 4.3Å; R9-I39 WeakPolarHBondContact O-CD1 3.3Å; V12-I39 HydrophobicContact CG1-CD1 4.42Å; V12-I39 HydrophobicContact CG1-CG2 4.1Å; R13-I39 HydrophobicContact CB-CD1 4.49Å; R13-I39 HydrophobicContact CB-CG1 3.91Å; R13-I39 HydrophobicContact CG-CG1 4.34Å; I16-I39 HydrophobicContact CD1-CG2 3.81Å; I25-I39 HydrophobicContact CD1-CG2 4.42Å; I25-I39 HydrophobicContact CG2-CG2 4.3Å; I36-I39 HydrophobicContact CG2-CD1 4.43Å; I36-I39 PolarHBondContact O-N 3.34Å; I36-I39 VanDerWaalsContact O-N 3.16Å; I39-K41 VanDerWaalsContact C-N 3.34Å; I39-K41 PolarHBondContact O-N 3.4Å; I39-A43 WeakPolarHBondContact O-CB 3.26Å; I39-A43 PolarHBondContact O-N 2.76Å; I39-V69 HydrophobicContact CD1-CG1 4.23Å; I39-V69 HydrophobicContact CD1-CG2 4.34Å
40L95.3Very high91.6Very high50 Ų5082.8 Ų82.826%0.26241%0.413SS..Hα-helixtrans-62.9-40.3178.9-70.9177000112.3I27 I36 N37 K44 V50I27-L40 HydrophobicContact CD1-CD2 3.5Å; I27-L40 HydrophobicContact CD1-CG 4.36Å; I36-L40 HydrophobicContact CD1-CD1 3.81Å; I36-L40 HydrophobicContact CD1-CD2 4.42Å; I36-L40 HydrophobicContact CD1-CG 4.05Å; I36-L40 HydrophobicContact CG1-CD1 4.02Å; I36-L40 HydrophobicContact CG1-CG 4.29Å; I36-L40 WeakPolarHBondContact O-CG 3.21Å; I36-L40 PolarHBondContact O-N 2.87Å; N37-L40 PolarHBondContact O-N 2.8Å; L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 PolarHBondContact O-N 3.47Å; L40-V50 HydrophobicContact CD2-CG1 3.93Å; L40-V50 HydrophobicContact CD2-CG2 4.47Å
41K94.8Very high91.7Very high131 Ų13182.6 Ų82.657%0.5739%0.39SS*.Hα-helixtrans-63.9-55.4176.9-176-175.6173.3-170.50110.6N37 E38 I39 A43 K44 D45N37-K41 WeakPolarHBondContact O-CB 3.43Å; N37-K41 PolarHBondContact O-N 3.47Å; E38-K41 PolarHBondContact O-N 2.84Å; I39-K41 VanDerWaalsContact C-N 3.34Å; I39-K41 PolarHBondContact O-N 3.4Å; K41-A43 VanDerWaalsContact C-N 3.32Å; K41-A43 PolarHBondContact O-N 3.39Å; K41-K44 WeakPolarHBondContact O-CB 3.24Å; K41-K44 PolarHBondContact O-N 3.21Å; K41-D45 VanDerWaalsContact O-CG 3.28Å; K41-D45 PolarHBondContact O-N 3.47Å
42N93.7Very high91.8Very high36 Ų3685.3 Ų85.319%0.19341%0.408CS..Hα-helixtrans-63.3-39.5-178.1-63.8-7.9000111.5I16 E38 K44 D45 Q46I16-N42 HydrophobicContact CG2-CB 3.57Å; E38-N42 WeakPolarHBondContact O-CB 3.44Å; E38-N42 PolarHBondContact O-N 3.33Å; E38-N42 PolarHBondContact O-OD1 2.87Å; N42-K44 VanDerWaalsContact C-N 3.32Å; N42-K44 PolarHBondContact O-N 3.44Å; N42-D45 PolarHBondContact O-N 3.34Å; N42-Q46 WeakPolarHBondContact O-CB 3.46Å; N42-Q46 WeakPolarHBondContact O-CG 3.35Å; N42-Q46 PolarHBondContact O-N 2.91Å
43A93.4Very high92.1Very high0 Ų078.8 Ų78.80%038%0.379CS..Hα-helixtrans-61.5-40.2174.300000111.9I25 I39 K41 Q46 K47 I48 V50I25-A43 HydrophobicContact CD1-CB 3.56Å; I39-A43 WeakPolarHBondContact O-CB 3.26Å; I39-A43 PolarHBondContact O-N 2.76Å; K41-A43 VanDerWaalsContact C-N 3.32Å; K41-A43 PolarHBondContact O-N 3.39Å; A43-Q46 CarbonylContact O-C 3.46Å; A43-K47 CarbonylContact O-C 3.57Å; A43-K47 PolarHBondContact O-N 2.85Å; A43-I48 HydrophobicContact CB-CB 4.25Å; A43-I48 PolarHBondContact O-N 2.88Å; A43-V50 HydrophobicContact CB-CG2 3.69Å
44K90.9Very high92.4Very high165 Ų16573.9 Ų73.972%0.71736%0.364SS*.Hα-helixtrans-66-45.6175.9-176.1-174.5176.6-171.20111.4L40 K41 N42 Q46 K47L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 PolarHBondContact O-N 3.47Å; K41-K44 WeakPolarHBondContact O-CB 3.24Å; K41-K44 PolarHBondContact O-N 3.21Å; N42-K44 VanDerWaalsContact C-N 3.32Å; N42-K44 PolarHBondContact O-N 3.44Å; K44-Q46 VanDerWaalsContact C-N 3.31Å; K44-Q46 PolarHBondContact O-N 3.23Å; K44-K47 WeakPolarHBondContact O-CA 3.39Å; K44-K47 PolarHBondContact O-N 2.82Å
45D88.8Confident92.5Very high103 Ų10370.8 Ų70.855%0.55135%0.348SS*.Hα-helixtrans-62.5-40.3-178.6-65.6-15.7000110.8K41 N42 K47K41-D45 VanDerWaalsContact O-CG 3.28Å; K41-D45 PolarHBondContact O-N 3.47Å; N42-D45 PolarHBondContact O-N 3.34Å; D45-K47 VanDerWaalsContact C-N 3.27Å; D45-K47 PolarHBondContact O-N 3.46Å
46Q86.3Confident92.7Very high86 Ų8669.9 Ų69.940%0.40235%0.353SS..THydrogen-bonded Turntrans-84.85.4173.9-63.3-174.34.500113.9I16 N42 A43 K44 I48I16-Q46 HydrophobicContact CG2-CG 4.45Å; I16-Q46 VanDerWaalsContact CG2-OE1 3.31Å; I16-Q46 PolarHBondContact O-NE2 2.81Å; I16-Q46 PolarHBondContact O-OE1 2.98Å; I16-Q46 VanDerWaalsContact O-OE1 3.13Å; N42-Q46 WeakPolarHBondContact O-CB 3.46Å; N42-Q46 WeakPolarHBondContact O-CG 3.35Å; N42-Q46 PolarHBondContact O-N 2.91Å; A43-Q46 CarbonylContact O-C 3.46Å; K44-Q46 VanDerWaalsContact C-N 3.31Å; K44-Q46 PolarHBondContact O-N 3.23Å; Q46-I48 HydrophobicContact CB-CD1 3.93Å; Q46-I48 HydrophobicContact CB-CG1 3.95Å; Q46-I48 PolarHBondContact O-N 2.87Å; Q46-I48 VanDerWaalsContact O-N 3.15Å
47K84Confident92.6Very high130 Ų13074 Ų7457%0.56537%0.371SS*.THydrogen-bonded Turntrans54.731.1179.6-51.1172.2-175.8167.90113.5A43 K44 D45 K128A43-K47 CarbonylContact O-C 3.57Å; A43-K47 PolarHBondContact O-N 2.85Å; K44-K47 WeakPolarHBondContact O-CA 3.39Å; K44-K47 PolarHBondContact O-N 2.82Å; D45-K47 VanDerWaalsContact C-N 3.27Å; D45-K47 PolarHBondContact O-N 3.46Å; K47-K128 VanDerWaalsContact CB-NZ 3.27Å; K47-K128 PolarHBondContact O-NZ 3.09Å
48I88.6Confident92.6Very high27 Ų2769 Ų6914%0.13834%0.344CS..  trans-75.8142.5177.5-60.9169.5000110I16 I22 I25 A43 Q46 V50I16-I48 HydrophobicContact CG1-CD1 4.21Å; I16-I48 HydrophobicContact CG2-CD1 4.05Å; I22-I48 HydrophobicContact CB-CD1 4.26Å; I22-I48 HydrophobicContact CB-CG2 4.35Å; I22-I48 HydrophobicContact CD1-CD1 4.16Å; I22-I48 HydrophobicContact CG2-CG2 3.79Å; I25-I48 HydrophobicContact CD1-CB 4.36Å; I25-I48 HydrophobicContact CD1-CG2 3.73Å; I25-I48 HydrophobicContact CG1-CG2 3.93Å; A43-I48 HydrophobicContact CB-CB 4.25Å; A43-I48 PolarHBondContact O-N 2.88Å; Q46-I48 HydrophobicContact CB-CD1 3.93Å; Q46-I48 HydrophobicContact CB-CG1 3.95Å; Q46-I48 PolarHBondContact O-N 2.87Å; Q46-I48 VanDerWaalsContact O-N 3.15Å; I48-V50 PolarHBondContact O-N 3.45Å
49I89.1Confident92.5Very high35 Ų3567 Ų6718%0.17934%0.337CS..  trans-73.1125.3177.7-60.6170.6000109.5K24 I25 K128K24-I49 CarbonylContact C-O 3.52Å; K24-I49 WeakPolarHBondContact CA-O 3.45Å; K24-I49 HydrophobicContact CB-CB 4.19Å; K24-I49 HydrophobicContact CB-CG2 4.34Å; I25-I49 PolarHBondContact N-O 2.79Å; I49-K128 HydrophobicContact CD1-CB 3.95Å; I49-K128 WeakPolarHBondContact CD1-O 3.5Å; I49-K128 HydrophobicContact CG1-CB 4.36Å
50V93.9Very high92.2Very high54 Ų5475 Ų7533%0.32737%0.372SS..EExtended strand (participates in β ladder)trans-109.6127.6171.8-178.60000108.9I25 I27 L40 A43 I48I25-V50 HydrophobicContact CB-CG2 4.34Å; I25-V50 HydrophobicContact CD1-CG2 4.47Å; I25-V50 CarbonylContact O-C 3.58Å; I25-V50 WeakPolarHBondContact O-CA 3.2Å; I27-V50 HydrophobicContact CD1-CG1 3.26Å; I27-V50 HydrophobicContact CG1-CG1 3.77Å; L40-V50 HydrophobicContact CD2-CG1 3.93Å; L40-V50 HydrophobicContact CD2-CG2 4.47Å; A43-V50 HydrophobicContact CB-CG2 3.69Å; I48-V50 PolarHBondContact O-N 3.45Å
51Q93.9Very high91.8Very high80 Ų8074.9 Ų74.937%0.37437%0.371SS..EExtended strand (participates in β ladder)trans-125.5128.3179.2-176.417711.800110.5I25 L26 I27 V53I25-Q51 PolarHBondContact O-N 3.25Å; L26-Q51 CarbonylContact C-O 3.46Å; L26-Q51 WeakPolarHBondContact CA-O 3.28Å; L26-Q51 HydrophobicContact CD2-CB 3.98Å; I27-Q51 PolarHBondContact N-O 2.71Å; Q51-V53 HydrophobicContact CG-CG1 4.02Å
52T95.9Very high91.1Very high87 Ų8769.8 Ų69.853%0.53435%0.354SS..EExtended strand (participates in β ladder)trans-79.6135.5171.2-440000109.8I27 E29I27-T52 CarbonylContact O-C 3.45Å; I27-T52 VanDerWaalsContact O-CA 3.22Å; I27-T52 WeakPolarHBondContact O-CA 3.38Å; E29-T52 HydrophobicContact CB-CG2 4.3Å; E29-T52 HydrophobicContact CG-CG2 3.56Å
53V96.2Very high90.5Very high2 Ų276.7 Ų76.71%0.01239%0.39CS..EExtended strand (participates in β ladder)trans-141154.1-176.3-60.70000112L26 I27 Q28 E29 Q51 K57 L58L26-V53 HydrophobicContact CB-CG2 4.01Å; L26-V53 HydrophobicContact CD2-CG1 4.03Å; I27-V53 PolarHBondContact O-N 2.77Å; Q28-V53 CarbonylContact C-O 3.54Å; Q28-V53 WeakPolarHBondContact CA-O 3.08Å; E29-V53 PolarHBondContact N-O 3.47Å; Q51-V53 HydrophobicContact CG-CG1 4.02Å; V53-K57 HydrophobicContact CB-CB 4.25Å; V53-K57 HydrophobicContact CB-CD 3.95Å; V53-K57 HydrophobicContact CG1-CD 3.84Å; V53-K57 HydrophobicContact CG2-CB 4.35Å; V53-L58 HydrophobicContact CG2-CD2 3.88Å; V53-L58 HydrophobicContact CG2-CG 3.92Å
54P95.9Very high90.2Very high59 Ų5979 Ų7938%0.38341%0.409SS..  trans-59.2151.6170.8-24.334.3000112E29 S56 K57E29-P54 WeakPolarHBondContact OE1-CD 3.39Å; P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 2.76Å; P54-K57 WeakPolarHBondContact O-CB 3.36Å; P54-K57 PolarHBondContact O-N 2.7Å; P54-K57 VanDerWaalsContact O-N 3.09Å
55K93.7Very high90.1Very high110 Ų11076.5 Ų76.548%0.47841%0.41SS..Hα-helixtrans-55.5-41.3178.5-172.1-170.7170.6-164.30112.5Q28 K57 L58 D59Q28-K55 HydrophobicContact CG-CB 3.92Å; Q28-K55 HydrophobicContact CG-CG 4.3Å; K55-K57 PolarHBondContact O-N 2.87Å; K55-K57 VanDerWaalsContact O-N 3.12Å; K55-L58 WeakPolarHBondContact O-CA 3.39Å; K55-L58 WeakPolarHBondContact O-CB 3.47Å; K55-L58 PolarHBondContact O-N 3.34Å; K55-D59 WeakPolarHBondContact CE-OD1 3.42Å; K55-D59 PolarHBondContact O-N 3.35Å
56S93.9Very high90.3Very high82 Ų8272.3 Ų72.357%0.57339%0.387SS*.Hα-helixtrans-55.4-32.3179.153.20000113.5P54 D59 F60P54-S56 VanDerWaalsContact C-N 3.26Å; P54-S56 PolarHBondContact O-N 2.76Å; S56-D59 PolarHBondContact O-N 3.31Å; S56-F60 WeakPolarHBondContact O-CB 3.48Å; S56-F60 PolarHBondContact O-N 3.37Å
57K92.4Very high90.6Very high93 Ų9372.5 Ų72.540%0.40439%0.388SS..Hα-helixtrans-69.4-35.2176-171.1169.7179.4179.20112V53 P54 K55 L61V53-K57 HydrophobicContact CB-CB 4.25Å; V53-K57 HydrophobicContact CB-CD 3.95Å; V53-K57 HydrophobicContact CG1-CD 3.84Å; V53-K57 HydrophobicContact CG2-CB 4.35Å; P54-K57 WeakPolarHBondContact O-CB 3.36Å; P54-K57 PolarHBondContact O-N 2.7Å; P54-K57 VanDerWaalsContact O-N 3.09Å; K55-K57 PolarHBondContact O-N 2.87Å; K55-K57 VanDerWaalsContact O-N 3.12Å; K57-L61 WeakPolarHBondContact O-CD1 3.28Å; K57-L61 VanDerWaalsContact O-CG 3.29Å; K57-L61 WeakPolarHBondContact O-CG 3.27Å; K57-L61 PolarHBondContact O-N 3.31Å
58L93.2Very high91.2Very high1 Ų166.4 Ų66.41%0.00536%0.362CS..Hα-helixtrans-73.7-41.4174.4-61.5178.4000111.3L26 Q28 V53 K55 F60 L61 H66 A70L26-L58 HydrophobicContact CB-CD2 3.72Å; L26-L58 HydrophobicContact CD1-CD2 4.41Å; Q28-L58 HydrophobicContact CB-CD1 3.69Å; Q28-L58 HydrophobicContact CG-CD1 4.28Å; V53-L58 HydrophobicContact CG2-CD2 3.88Å; V53-L58 HydrophobicContact CG2-CG 3.92Å; K55-L58 WeakPolarHBondContact O-CA 3.39Å; K55-L58 WeakPolarHBondContact O-CB 3.47Å; K55-L58 PolarHBondContact O-N 3.34Å; L58-F60 PolarHBondContact O-N 2.97Å; L58-L61 HydrophobicContact CD2-CD1 4.49Å; L58-L61 PolarHBondContact O-N 3.19Å; L58-H66 HydrophobicContact CB-CB 4.5Å; L58-H66 WeakPolarHBondContact CD1-ND1 3.4Å; L58-A70 HydrophobicContact CD2-CB 3.84Å
59D92.6Very high91.6Very high72 Ų7265.1 Ų65.139%0.38536%0.356SS..Hα-helixtrans-57.9-35.3175.7-64.9-37.6000111.1K55 S56 H66K55-D59 WeakPolarHBondContact CE-OD1 3.42Å; K55-D59 PolarHBondContact O-N 3.35Å; S56-D59 PolarHBondContact O-N 3.31Å; D59-H66 IonicContact OD1-CD2 3.55Å; D59-H66 IonicContact OD1-NE2 3.11Å; D59-H66 PolarHBondContact OD1-NE2 3.02Å; D59-H66 VanDerWaalsContact OD1-NE2 3.11Å
60F90.1Very high91.9Very high173 Ų17363.5 Ų63.576%0.75935%0.347SS*.Hα-helixtrans-70.2-30.4176.2-176.2-96.5000113.8S56 L58S56-F60 WeakPolarHBondContact O-CB 3.48Å; S56-F60 PolarHBondContact O-N 3.37Å; L58-F60 PolarHBondContact O-N 2.97Å
61L85.9Confident92Very high47 Ų4760.9 Ų60.925%0.24633%0.332CS..Hα-helixtrans-80.1-25.4-172.3-73.9168.5000113.9V5 L26 K57 L58 L72V5-L61 HydrophobicContact CG1-CB 4.24Å; V5-L61 HydrophobicContact CG2-CD2 4.33Å; L26-L61 HydrophobicContact CD1-CD1 3.36Å; K57-L61 WeakPolarHBondContact O-CD1 3.28Å; K57-L61 VanDerWaalsContact O-CG 3.29Å; K57-L61 WeakPolarHBondContact O-CG 3.27Å; K57-L61 PolarHBondContact O-N 3.31Å; L58-L61 HydrophobicContact CD2-CD1 4.49Å; L58-L61 PolarHBondContact O-N 3.19Å; L61-L72 HydrophobicContact CD1-CD2 4.23Å; L61-L72 HydrophobicContact CD2-CD2 4.2Å
62A81.2Confident91.8Very high24 Ų2458 Ų5820%0.19832%0.318CS..  trans-155.7142.5177.400000111.9V7 A64V7-A62 HydrophobicContact CB-CB 4.4Å; V7-A62 HydrophobicContact CG1-CB 3.56Å; V7-A62 HydrophobicContact CG2-CB 4.03Å; A62-A64 PolarHBondContact O-N 3.01Å
63N81.6Confident91.5Very high180 Ų18054.6 Ų54.696%0.96330%0.297SS*.SBendtrans-767.3171.5-68.5-28.5000113.5
64A85.3Confident90.7Very high48 Ų4854.7 Ų54.740%0.39730%0.298SS..SBendtrans-106.8154.3-177.400000111.8V7 A62 H66V7-A64 HydrophobicContact CG2-CB 3.9Å; A62-A64 PolarHBondContact O-N 3.01Å; A64-H66 PolarHBondContact O-N 3.04Å
65P89.8Confident90Very high113 Ų11354.3 Ų54.373%0.73430%0.296SS*.  trans-59.5101.3179.6-23.433.8000112.6Q67P65-Q67 VanDerWaalsContact C-N 3.29Å; P65-Q67 PolarHBondContact O-N 3.45Å
66H92.6Very high89.6Confident16 Ų1650.9 Ų50.97%0.07428%0.28CS..  trans-76.5-14.3-176.760.483.4000113.6V7 G8 Q28 L58 D59 A64 G68 V69V7-H66 HydrophobicContact CB-CB 3.96Å; V7-H66 HydrophobicContact CG1-CB 4.37Å; G8-H66 VanDerWaalsContact CA-O 3.31Å; G8-H66 WeakPolarHBondContact CA-O 3.3Å; G8-H66 PolarHBondContact N-O 3.13Å; Q28-H66 PolarHBondContact OE1-CE1 2.94Å; L58-H66 HydrophobicContact CB-CB 4.5Å; L58-H66 WeakPolarHBondContact CD1-ND1 3.4Å; D59-H66 IonicContact OD1-CD2 3.55Å; D59-H66 IonicContact OD1-NE2 3.11Å; D59-H66 PolarHBondContact OD1-NE2 3.02Å; D59-H66 VanDerWaalsContact OD1-NE2 3.11Å; A64-H66 PolarHBondContact O-N 3.04Å; H66-G68 WeakPolarHBondContact ND1-CA 3.43Å; H66-G68 PolarHBondContact ND1-N 3.07Å; H66-G68 PolarHBondContact O-N 2.77Å; H66-V69 PolarHBondContact O-N 3.41Å
67Q93.6Very high89.3Confident89 Ų8954.1 Ų54.142%0.41629%0.286SS..THydrogen-bonded Turntrans52.531.3179.5-54.2-178.9-25.800113.5R9 P65 V69R9-Q67 HydrophobicContact CG-CB 4.05Å; P65-Q67 VanDerWaalsContact C-N 3.29Å; P65-Q67 PolarHBondContact O-N 3.45Å; Q67-V69 VanDerWaalsContact C-N 3.33Å; Q67-V69 PolarHBondContact O-N 3.01Å
68G95.1Very high89.3Confident3 Ų352.3 Ų52.33%0.03128%0.277CS..THydrogen-bonded Turntrans72.113.4-177.100000116Q28 H66Q28-G68 WeakPolarHBondContact CB-O 3.41Å; Q28-G68 PolarHBondContact N-O 2.76Å; H66-G68 WeakPolarHBondContact ND1-CA 3.43Å; H66-G68 PolarHBondContact ND1-N 3.07Å; H66-G68 PolarHBondContact O-N 2.77Å
69V97.2Very high89.3Confident0 Ų053.9 Ų53.90%029%0.29CS..EExtended strand (participates in β ladder)trans-140.3139177.5-168.70000111.7G8 R9 V12 I25 L26 I31 I36 I39 H66 Q67G8-V69 PolarHBondContact N-O 3.37Å; G8-V69 VanDerWaalsContact N-O 3.08Å; R9-V69 HydrophobicContact CG-CB 4.46Å; R9-V69 HydrophobicContact CG-CG2 3.91Å; V12-V69 HydrophobicContact CB-CG1 4.13Å; V12-V69 HydrophobicContact CG1-CG1 3.83Å; V12-V69 HydrophobicContact CG2-CG1 4.07Å; I25-V69 HydrophobicContact CG2-CG1 3.89Å; L26-V69 WeakPolarHBondContact O-CA 3.4Å; I31-V69 HydrophobicContact CD1-CG2 4.19Å; I36-V69 HydrophobicContact CG2-CG2 3.59Å; I39-V69 HydrophobicContact CD1-CG1 4.23Å; I39-V69 HydrophobicContact CD1-CG2 4.34Å; H66-V69 PolarHBondContact O-N 3.41Å; Q67-V69 VanDerWaalsContact C-N 3.33Å; Q67-V69 PolarHBondContact O-N 3.01Å
70A96.2Very high89.4Confident0 Ų054.2 Ų54.20%029%0.292CS..EExtended strand (participates in β ladder)trans-138.1153.3168.500000110.7V5 I6 V7 I25 L26 L58V5-A70 HydrophobicContact CG1-CB 4.11Å; I6-A70 CarbonylContact O-C 3.46Å; I6-A70 VanDerWaalsContact O-CA 3.29Å; I6-A70 WeakPolarHBondContact O-CA 3.48Å; V7-A70 HydrophobicContact CG1-CB 3.92Å; I25-A70 CarbonylContact C-O 3.53Å; I25-A70 WeakPolarHBondContact CA-O 3.4Å; L26-A70 HydrophobicContact CB-CB 4.49Å; L26-A70 PolarHBondContact N-O 2.86Å; L26-A70 PolarHBondContact O-N 2.95Å; L58-A70 HydrophobicContact CD2-CB 3.84Å
71A94.7Very high89.7Confident0 Ų046.7 Ų46.70%026%0.259CS..EExtended strand (participates in β ladder)trans-118.7127.5169.200000108.9V5 I6 V12 I22 I25 I73V5-A71 WeakPolarHBondContact CA-O 3.5Å; I6-A71 HydrophobicContact CB-CB 4.45Å; I6-A71 PolarHBondContact N-O 3.44Å; I6-A71 PolarHBondContact O-N 3.33Å; V12-A71 HydrophobicContact CG1-CB 4.08Å; V12-A71 HydrophobicContact CG2-CB 3.94Å; I22-A71 HydrophobicContact CD1-CB 4.39Å; I22-A71 HydrophobicContact CG1-CB 4.37Å; I22-A71 HydrophobicContact CG2-CB 4.11Å; I25-A71 HydrophobicContact CG1-CB 4.39Å; A71-I73 HydrophobicContact CB-CD1 4.43Å
72L91.2Very high90.1Very high18 Ų1849.1 Ų49.19%0.09427%0.272CS..EExtended strand (participates in β ladder)trans-88.6116.4170.4-57.7-175000107.8D3 V5 N23 K24 L26 L61D3-L72 HydrophobicContact CB-CB 4.11Å; V5-L72 HydrophobicContact CB-CD2 4.45Å; V5-L72 HydrophobicContact CG1-CD2 4.14Å; V5-L72 HydrophobicContact CG2-CD2 3.74Å; N23-L72 HydrophobicContact CB-CB 4.48Å; N23-L72 WeakPolarHBondContact CB-O 3.29Å; N23-L72 PolarHBondContact N-O 2.92Å; K24-L72 HydrophobicContact CD-CD1 3.84Å; K24-L72 HydrophobicContact CG-CB 4.22Å; K24-L72 HydrophobicContact CG-CD1 3.78Å; K24-L72 HydrophobicContact CG-CG 4.11Å; K24-L72 PolarHBondContact O-N 3.33Å; L26-L72 HydrophobicContact CD1-CD1 4.26Å; L26-L72 HydrophobicContact CD1-CG 4.32Å; L61-L72 HydrophobicContact CD1-CD2 4.23Å; L61-L72 HydrophobicContact CD2-CD2 4.2Å
73I89Confident90.8Very high17 Ų1753.2 Ų53.29%0.08729%0.287CS..EExtended strand (participates in β ladder)trans-83.6124178.2-52.7-51.9000108.3D3 T4 I6 H20 P21 I22 A71D3-I73 WeakPolarHBondContact CB-O 3.29Å; T4-I73 VanDerWaalsContact O-CB 3.26Å; T4-I73 WeakPolarHBondContact O-CB 3.47Å; T4-I73 VanDerWaalsContact O-CG1 3.3Å; T4-I73 WeakPolarHBondContact O-CG1 3.46Å; T4-I73 PolarHBondContact O-N 3.27Å; I6-I73 HydrophobicContact CD1-CD1 3.79Å; I6-I73 HydrophobicContact CD1-CG1 3.91Å; I6-I73 HydrophobicContact CG1-CD1 4.15Å; I6-I73 HydrophobicContact CG1-CG1 3.93Å; H20-I73 HydrophobicContact CB-CD1 4.18Å; P21-I73 HydrophobicContact CG-CG2 3.96Å; P21-I73 CarbonylContact O-C 3.59Å; I22-I73 HydrophobicContact CG1-CD1 3.61Å; A71-I73 HydrophobicContact CB-CD1 4.43Å
74A80.3Confident91.5Very high4 Ų444.8 Ų44.83%0.03324%0.242CC..PPolyproline II helixtrans-65.7131.5170.400000108.6P21 N23 Y76 Y78P21-A74 HydrophobicContact CB-CB 4.43Å; P21-A74 WeakPolarHBondContact O-CA 3.35Å; P21-A74 VanDerWaalsContact O-CB 3.3Å; P21-A74 WeakPolarHBondContact O-CB 3.25Å; P21-A74 PolarHBondContact O-N 3.49Å; N23-A74 HydrophobicContact CB-CB 4.05Å; A74-Y76 WeakPolarHBondContact CB-O 3.45Å; A74-Y76 PolarHBondContact O-N 3.42Å; A74-Y78 HydrophobicContact CB-CE2 4.5Å
75P81.5Confident92Very high51 Ų5143.3 Ų43.333%0.33123%0.227SC..SBendtrans-66.8-15.6174.324.1-30.7000113.1L134 Q136P75-L134 VanDerWaalsContact CD-O 3.27Å; P75-L134 WeakPolarHBondContact CD-O 2.98Å; P75-L134 VanDerWaalsContact CG-O 3.28Å; P75-L134 WeakPolarHBondContact CG-O 3.31Å; P75-Q136 HydrophobicContact CG-CG 4.47Å
76Y85.3Confident92.2Very high38 Ų3844.7 Ų44.715%0.14922%0.222CC..SBendtrans-135145.9-178.6-60.2-77.6000110.9A74 L134 A139 I146 E147A74-Y76 WeakPolarHBondContact CB-O 3.45Å; A74-Y76 PolarHBondContact O-N 3.42Å; Y76-L134 HydrophobicContact CD2-CB 4.33Å; Y76-A139 HydrophobicContact CE2-CB 3.63Å; Y76-A139 VanDerWaalsContact OH-CB 3.28Å; Y76-A139 WeakPolarHBondContact OH-CB 3.4Å; Y76-I146 HydrophobicContact CD1-CD1 4.34Å; Y76-I146 HydrophobicContact CD1-CG1 4.38Å; Y76-I146 HydrophobicContact CD2-CD1 3.46Å; Y76-I146 VanDerWaalsContact CD2-CD1 3.46Å; Y76-I146 HydrophobicContact CD2-CG1 4.33Å; Y76-I146 HydrophobicContact CE1-CG2 4.23Å; Y76-I146 HydrophobicContact CE2-CD1 3.76Å; Y76-I146 HydrophobicContact CG-CD1 3.8Å; Y76-I146 HydrophobicContact CG-CG1 4.18Å; Y76-E147 WeakPolarHBondContact CE1-OE1 3.3Å
77E86.6Confident92.1Very high150 Ų15048.3 Ų48.370%0.70124%0.239SC*.PPolyproline II helixtrans-78.6145.2176.3-77.9179.9-171.300111.6P21P21-E77 HydrophobicContact CB-CG 3.82Å; P21-E77 HydrophobicContact CG-CG 4.38Å
78Y91.9Very high91.9Very high54 Ų5444.5 Ų44.521%0.21222%0.221CC..PPolyproline II helixtrans-92.2139168.1-65.6-81.7000108.8A74 I126 T133 L134 V151 R153A74-Y78 HydrophobicContact CB-CE2 4.5Å; Y78-I126 HydrophobicContact CE1-CD1 4.08Å; Y78-T133 WeakPolarHBondContact OH-CA 3.48Å; Y78-T133 WeakPolarHBondContact OH-CB 3.48Å; Y78-L134 HydrophobicContact CD1-CD1 3.76Å; Y78-L134 HydrophobicContact CD1-CG 4.21Å; Y78-L134 HydrophobicContact CE1-CB 4.34Å; Y78-L134 HydrophobicContact CE1-CD1 3.55Å; Y78-L134 HydrophobicContact CE1-CG 3.49Å; Y78-L134 VanDerWaalsContact CE1-CG 3.49Å; Y78-L134 HydrophobicContact CG-CD1 4.36Å; Y78-L134 PolarHBondContact OH-N 3Å; Y78-V151 CarbonylContact C-O 3.6Å; Y78-V151 VanDerWaalsContact CA-O 3.28Å; Y78-V151 WeakPolarHBondContact CA-O 3.32Å; Y78-V151 HydrophobicContact CD1-CB 4.4Å; Y78-V151 HydrophobicContact CD1-CG1 4.06Å; Y78-V151 HydrophobicContact CE1-CG1 4.1Å; Y78-R153 HydrophobicContact CD1-CB 4.11Å; Y78-R153 HydrophobicContact CD1-CG 3.49Å; Y78-R153 VanDerWaalsContact CD1-CG 3.49Å; Y78-R153 HydrophobicContact CD2-CG 4.5Å; Y78-R153 HydrophobicContact CE1-CG 3.52Å; Y78-R153 HydrophobicContact CG-CB 4.21Å; Y78-R153 HydrophobicContact CG-CG 4Å
79A94.2Very high91.5Very high35 Ų3551.3 Ų51.329%0.28925%0.25SC..BIsolated β-bridgetrans-68.3144.1170.600000110.5P150 V151 I152A79-P150 HydrophobicContact CB-CB 3.99Å; A79-V151 PolarHBondContact N-O 3.39Å; A79-I152 HydrophobicContact CB-CG1 3.82Å
80D93.4Very high91Very high79 Ų7958.2 Ų58.242%0.42228%0.282SS..PPolyproline II helixtrans-78136.7171.5178.4-98.7000110.4D82 Q83 F84D80-D82 WeakPolarHBondContact OD1-CB 3.28Å; D80-D82 PolarHBondContact OD1-N 3.21Å; D80-Q83 HydrophobicContact CB-CB 4.01Å; D80-Q83 PolarHBondContact OD1-N 2.82Å; D80-F84 WeakPolarHBondContact O-CB 3.32Å; D80-F84 PolarHBondContact O-N 3Å
81F96.8Very high90.5Very high15 Ų1563.3 Ų63.37%0.06630%0.304CS..Hα-helixtrans-68.2-42.5-174.9179.5-108.8000112.6F84 L85 I125 I152 V154 T160 E163 L164F81-F84 WeakPolarHBondContact O-CB 3.39Å; F81-F84 PolarHBondContact O-N 3.03Å; F81-L85 HydrophobicContact CD1-CD1 4.1Å; F81-L85 HydrophobicContact CE1-CD1 3.4Å; F81-L85 VanDerWaalsContact CE1-CD1 3.4Å; F81-L85 HydrophobicContact CE1-CG 4.13Å; F81-L85 HydrophobicContact CE2-CD1 4.18Å; F81-L85 HydrophobicContact CE2-CD2 4.32Å; F81-L85 HydrophobicContact CE2-CG 4.09Å; F81-L85 HydrophobicContact CZ-CD1 3.46Å; F81-L85 VanDerWaalsContact CZ-CD1 3.46Å; F81-L85 HydrophobicContact CZ-CD2 4.21Å; F81-L85 HydrophobicContact CZ-CG 3.88Å; F81-L85 WeakPolarHBondContact O-CG 3.33Å; F81-L85 PolarHBondContact O-N 3.18Å; F81-I125 HydrophobicContact CD2-CD1 4.38Å; F81-I125 HydrophobicContact CE2-CD1 4.02Å; F81-I152 HydrophobicContact CB-CG2 3.68Å; F81-I152 HydrophobicContact CD2-CG2 4.08Å; F81-I152 HydrophobicContact CG-CG2 4.36Å; F81-V154 HydrophobicContact CB-CG1 4.25Å; F81-V154 HydrophobicContact CD2-CG1 4.47Å; F81-V154 HydrophobicContact CG-CG1 4.34Å; F81-T160 HydrophobicContact CD2-CG2 4.08Å; F81-T160 HydrophobicContact CE1-CG2 4.2Å; F81-T160 HydrophobicContact CE2-CG2 3.57Å; F81-T160 HydrophobicContact CZ-CG2 3.63Å; F81-E163 HydrophobicContact CE1-CB 3.94Å; F81-E163 WeakPolarHBondContact CE1-OE2 3.34Å; F81-E163 HydrophobicContact CZ-CB 4.24Å; F81-L164 HydrophobicContact CE2-CD2 4.13Å; F81-L164 HydrophobicContact CE2-CG 4.18Å; F81-L164 HydrophobicContact CZ-CD2 4.28Å; F81-L164 HydrophobicContact CZ-CG 4.06Å
82D95.1Very high90Very high98 Ų9872.9 Ų72.952%0.52435%0.349SS..Hα-helixtrans-69.2-41-177.9-63.2-40.9000110D80 K86D80-D82 WeakPolarHBondContact OD1-CB 3.28Å; D80-D82 PolarHBondContact OD1-N 3.21Å; D82-K86 PolarHBondContact O-N 2.98Å; D82-K86 VanDerWaalsContact O-N 3.07Å
83Q94.7Very high89.9Confident109 Ų10974.9 Ų74.951%0.50937%0.374SS..Hα-helixtrans-63.5-43.9173.2-174.6176.5-7.200111.9D80 K86 Q87D80-Q83 HydrophobicContact CB-CB 4.01Å; D80-Q83 PolarHBondContact OD1-N 2.82Å; Q83-K86 PolarHBondContact O-N 3.18Å; Q83-Q87 WeakPolarHBondContact O-CG 3.32Å; Q83-Q87 PolarHBondContact O-N 3.45Å
84F96.5Very high90.2Very high4 Ų477.6 Ų77.62%0.01839%0.388CS..Hα-helixtrans-56.9-53.6175.7170.4-101.1000110.7D80 F81 K86 Q87 Q88 V97 D122 P150 I152D80-F84 WeakPolarHBondContact O-CB 3.32Å; D80-F84 PolarHBondContact O-N 3Å; F81-F84 WeakPolarHBondContact O-CB 3.39Å; F81-F84 PolarHBondContact O-N 3.03Å; F84-K86 VanDerWaalsContact C-N 3.26Å; F84-K86 PolarHBondContact O-N 3.46Å; F84-Q87 PolarHBondContact O-N 3.02Å; F84-Q87 VanDerWaalsContact O-N 3.15Å; F84-Q88 HydrophobicContact CD1-CG 4.22Å; F84-Q88 HydrophobicContact CD2-CG 3.92Å; F84-Q88 HydrophobicContact CE1-CG 3.86Å; F84-Q88 HydrophobicContact CE2-CG 3.53Å; F84-Q88 HydrophobicContact CG-CG 4.25Å; F84-Q88 HydrophobicContact CZ-CG 3.5Å; F84-Q88 WeakPolarHBondContact O-CB 3.32Å; F84-Q88 VanDerWaalsContact O-CG 3.23Å; F84-Q88 WeakPolarHBondContact O-CG 3.41Å; F84-Q88 PolarHBondContact O-N 3.24Å; F84-V97 HydrophobicContact CE1-CG1 3.82Å; F84-V97 HydrophobicContact CZ-CG1 3.64Å; F84-D122 HydrophobicContact CE2-CB 4.32Å; F84-D122 VanDerWaalsContact CE2-O 3.28Å; F84-D122 WeakPolarHBondContact CE2-O 3.43Å; F84-D122 HydrophobicContact CZ-CB 4.11Å; F84-P150 HydrophobicContact CD2-CB 4.41Å; F84-I152 HydrophobicContact CB-CD1 4.04Å; F84-I152 HydrophobicContact CD1-CD1 3.62Å; F84-I152 HydrophobicContact CD2-CD1 3.91Å; F84-I152 HydrophobicContact CE1-CD1 4.01Å; F84-I152 HydrophobicContact CE2-CD1 4.27Å; F84-I152 HydrophobicContact CG-CD1 3.56Å; F84-I152 HydrophobicContact CG-CG1 4.5Å; F84-I152 HydrophobicContact CZ-CD1 4.31Å
85L95.7Very high91Very high16 Ų1678.3 Ų78.38%0.08439%0.391CS..Hα-helixtrans-56.9-39.7178.3-75.1-177.9000112.7F81 Q88 K89 L164 N167 F169F81-L85 HydrophobicContact CD1-CD1 4.1Å; F81-L85 HydrophobicContact CE1-CD1 3.4Å; F81-L85 VanDerWaalsContact CE1-CD1 3.4Å; F81-L85 HydrophobicContact CE1-CG 4.13Å; F81-L85 HydrophobicContact CE2-CD1 4.18Å; F81-L85 HydrophobicContact CE2-CD2 4.32Å; F81-L85 HydrophobicContact CE2-CG 4.09Å; F81-L85 HydrophobicContact CZ-CD1 3.46Å; F81-L85 VanDerWaalsContact CZ-CD1 3.46Å; F81-L85 HydrophobicContact CZ-CD2 4.21Å; F81-L85 HydrophobicContact CZ-CG 3.88Å; F81-L85 WeakPolarHBondContact O-CG 3.33Å; F81-L85 PolarHBondContact O-N 3.18Å; L85-Q88 PolarHBondContact O-N 3.32Å; L85-K89 WeakPolarHBondContact O-CG 3.36Å; L85-K89 PolarHBondContact O-N 3.44Å; L85-L164 HydrophobicContact CD2-CD2 4.04Å; L85-N167 HydrophobicContact CD2-CB 4.35Å; L85-F169 HydrophobicContact CD2-CE2 4.29Å
86K94Very high91.8Very high142 Ų14276.1 Ų76.162%0.61738%0.377SS*.Hα-helixtrans-63.3-48.5177.1-174.5-176.5174-171.90111.8D82 Q83 F84 Q88 K89D82-K86 PolarHBondContact O-N 2.98Å; D82-K86 VanDerWaalsContact O-N 3.07Å; Q83-K86 PolarHBondContact O-N 3.18Å; F84-K86 VanDerWaalsContact C-N 3.26Å; F84-K86 PolarHBondContact O-N 3.46Å; K86-Q88 VanDerWaalsContact C-N 3.27Å; K86-Q88 PolarHBondContact O-N 3.06Å; K86-K89 PolarHBondContact O-N 3.37Å
87Q91.7Very high92.4Very high92 Ų9274.3 Ų74.343%0.4337%0.37SS..Hα-helixtrans-61.9-38.7178.5-71.6171.6-12.600111.6Q83 F84 K89 E90Q83-Q87 WeakPolarHBondContact O-CG 3.32Å; Q83-Q87 PolarHBondContact O-N 3.45Å; F84-Q87 PolarHBondContact O-N 3.02Å; F84-Q87 VanDerWaalsContact O-N 3.15Å; Q87-K89 VanDerWaalsContact C-N 3.32Å; Q87-K89 PolarHBondContact O-N 3.01Å; Q87-E90 WeakPolarHBondContact O-CB 3.32Å; Q87-E90 PolarHBondContact O-N 2.92Å
88Q88.9Confident93Very high9 Ų967.1 Ų67.14%0.04234%0.336CS..Hα-helixtrans-68.2-28.5179.8-70.8-51.4116.400113.4F84 L85 K86 E90 K91 L95 D122F84-Q88 HydrophobicContact CD1-CG 4.22Å; F84-Q88 HydrophobicContact CD2-CG 3.92Å; F84-Q88 HydrophobicContact CE1-CG 3.86Å; F84-Q88 HydrophobicContact CE2-CG 3.53Å; F84-Q88 HydrophobicContact CG-CG 4.25Å; F84-Q88 HydrophobicContact CZ-CG 3.5Å; F84-Q88 WeakPolarHBondContact O-CB 3.32Å; F84-Q88 VanDerWaalsContact O-CG 3.23Å; F84-Q88 WeakPolarHBondContact O-CG 3.41Å; F84-Q88 PolarHBondContact O-N 3.24Å; L85-Q88 PolarHBondContact O-N 3.32Å; K86-Q88 VanDerWaalsContact C-N 3.27Å; K86-Q88 PolarHBondContact O-N 3.06Å; Q88-E90 PolarHBondContact O-N 3.15Å; Q88-K91 PolarHBondContact O-N 2.84Å; Q88-L95 HydrophobicContact CB-CD1 3.64Å; Q88-L95 HydrophobicContact CG-CD1 4.25Å; Q88-D122 PolarHBondContact NE2-OD1 3.01Å
89K86.8Confident93.4Very high146 Ų14664.6 Ų64.664%0.63533%0.327SS*.Hα-helixtrans-68.2-21.2172.9-75179.3-178.2-178.60113.9L85 K86 Q87 K91 N167L85-K89 WeakPolarHBondContact O-CG 3.36Å; L85-K89 PolarHBondContact O-N 3.44Å; K86-K89 PolarHBondContact O-N 3.37Å; Q87-K89 VanDerWaalsContact C-N 3.32Å; Q87-K89 PolarHBondContact O-N 3.01Å; K89-K91 VanDerWaalsContact C-N 3.33Å; K89-N167 WeakPolarHBondContact CE-OD1 3.36Å; K89-N167 PolarHBondContact NZ-OD1 3.4Å
90E87.5Confident93.5Very high145 Ų14563 Ų6368%0.67831%0.313SS*.THydrogen-bonded Turntrans-84.3-14.1179.2-62.3172.4-174.500111.7Q87 Q88Q87-E90 WeakPolarHBondContact O-CB 3.32Å; Q87-E90 PolarHBondContact O-N 2.92Å; Q88-E90 PolarHBondContact O-N 3.15Å
91K85.1Confident93.7Very high107 Ų10760.1 Ų60.147%0.46530%0.298SS..SBendtrans-82.5137.1175.9-68.8178.9174.3172.30110.7Q88 K89 D122Q88-K91 PolarHBondContact O-N 2.84Å; K89-K91 VanDerWaalsContact C-N 3.33Å; K91-D122 IonicContact NZ-OD1 2.86Å; K91-D122 PolarHBondContact NZ-OD1 3.3Å; K91-D122 VanDerWaalsContact NZ-OD1 3.13Å
92E84.1Confident93.4Very high202 Ų20260.5 Ų60.594%0.94431%0.305SS*.  trans-82.7129.2164.4-65-178.4177.200108.9
93G89.1Confident93.3Very high60 Ų6056.4 Ų56.462%0.61928%0.284SS*.SBendtrans129.8174.617500000114.4
94L95.2Very high93.2Very high74 Ų7457.1 Ų57.139%0.38729%0.287SS..  trans-84.2134.9177.2-58.8178.3000110D188 R242L94-D188 WeakPolarHBondContact CD1-O 3.46Å; L94-R242 VanDerWaalsContact CB-CZ 3.49Å; L94-R242 PolarHBondContact O-NH1 2.88Å; L94-R242 VanDerWaalsContact O-NH1 3.11Å
95L97.4Very high93Very high18 Ų1859.9 Ų59.99%0.09430%0.302CS..  trans-97.4153.9-176.4-55.2179.9000111.2Q88 D122 F169 S190 L191 R242Q88-L95 HydrophobicContact CB-CD1 3.64Å; Q88-L95 HydrophobicContact CG-CD1 4.25Å; L95-D122 VanDerWaalsContact CA-OD2 3.25Å; L95-D122 WeakPolarHBondContact CA-OD2 3.36Å; L95-F169 HydrophobicContact CB-CE1 3.63Å; L95-F169 HydrophobicContact CB-CZ 3.69Å; L95-F169 HydrophobicContact CD1-CE1 4.37Å; L95-F169 HydrophobicContact CD1-CE2 4.19Å; L95-F169 HydrophobicContact CD1-CZ 3.58Å; L95-F169 HydrophobicContact CG-CZ 4.3Å; L95-S190 PolarHBondContact N-OG 2.94Å; L95-S190 CarbonylContact O-C 3.59Å; L95-S190 VanDerWaalsContact O-CA 3.28Å; L95-S190 WeakPolarHBondContact O-CA 3.48Å; L95-L191 PolarHBondContact O-N 3.06Å; L95-R242 PolarHBondContact O-NH2 3.35Å
96T98.3Very high92.9Very high5 Ų560.9 Ų60.93%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-135.2123.9169.4-59.70000110.4V121 D122 L191 V238 R242T96-V121 HydrophobicContact CG2-CG2 4.04Å; T96-V121 WeakPolarHBondContact O-CG1 3.29Å; T96-D122 PolarHBondContact N-OD2 3.41Å; T96-D122 WeakPolarHBondContact O-CB 3.48Å; T96-D122 PolarHBondContact O-N 2.76Å; T96-L191 CarbonylContact C-O 3.46Å; T96-L191 VanDerWaalsContact CA-O 3.31Å; T96-L191 WeakPolarHBondContact CA-O 3.35Å; T96-V238 HydrophobicContact CG2-CG1 4.34Å; T96-V238 WeakPolarHBondContact OG1-CG1 3.43Å; T96-R242 PolarHBondContact OG1-NH1 2.75Å; T96-R242 PolarHBondContact OG1-NH2 3.11Å
97V98.7Very high93Very high0 Ų059.4 Ų59.40%030%0.304CS..EExtended strand (participates in β ladder)trans-120.7145.2172.2-61.40000110.6F84 D122 G123 L164 F169 L191 A192 I193F84-V97 HydrophobicContact CE1-CG1 3.82Å; F84-V97 HydrophobicContact CZ-CG1 3.64Å; V97-D122 HydrophobicContact CG1-CB 4.48Å; V97-G123 CarbonylContact C-O 3.57Å; V97-G123 VanDerWaalsContact CA-O 3.29Å; V97-G123 WeakPolarHBondContact CA-O 3.13Å; V97-L164 HydrophobicContact CG2-CD1 4.28Å; V97-L164 HydrophobicContact CG2-CD2 4.23Å; V97-F169 HydrophobicContact CG1-CE1 3.97Å; V97-F169 HydrophobicContact CG1-CZ 4.27Å; V97-F169 HydrophobicContact CG2-CD1 4.06Å; V97-F169 HydrophobicContact CG2-CE1 3.91Å; V97-L191 PolarHBondContact N-O 2.96Å; V97-A192 HydrophobicContact CG2-CB 3.47Å; V97-A192 VanDerWaalsContact CG2-CB 3.47Å; V97-A192 CarbonylContact O-C 3.59Å; V97-A192 VanDerWaalsContact O-CA 3.31Å; V97-A192 WeakPolarHBondContact O-CA 3.33Å; V97-I193 PolarHBondContact O-N 2.88Å
98L98.8Very high93.2Very high0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-98142.3168.1-68.9-172.8000110.6L100 I112 V121 G123 V124 I125 I193 A231 M235L98-L100 HydrophobicContact CB-CD2 4.31Å; L98-I112 HydrophobicContact CD1-CG2 3.66Å; L98-V121 HydrophobicContact CG-CG1 4.28Å; L98-G123 PolarHBondContact N-O 2.95Å; L98-V124 HydrophobicContact CB-CG1 4.49Å; L98-V124 HydrophobicContact CB-CG2 4.29Å; L98-V124 CarbonylContact O-C 3.57Å; L98-V124 WeakPolarHBondContact O-CA 3.46Å; L98-I125 PolarHBondContact O-N 3.19Å; L98-I193 CarbonylContact C-O 3.55Å; L98-I193 WeakPolarHBondContact CA-O 3.14Å; L98-I193 HydrophobicContact CD2-CB 3.82Å; L98-I193 HydrophobicContact CD2-CG2 4.34Å; L98-A231 HydrophobicContact CD1-CB 4.38Å; L98-M235 HydrophobicContact CD1-CE 3.74Å; L98-M235 HydrophobicContact CD1-CG 3.99Å; L98-M235 HydrophobicContact CD1-SD 3.54Å; L98-M235 VanDerWaalsContact CD1-SD 3.54Å; L98-M235 HydrophobicContact CD2-CG 4.18Å; L98-M235 HydrophobicContact CG-CG 4.35Å; L98-M235 HydrophobicContact CG-SD 4.31Å
99I98.7Very high93.6Very high1 Ų155 Ų551%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-118.2115.4171-57.1177.5000107.6I125 L157 I161 L164 A192 I193 V194 I195I99-I125 WeakPolarHBondContact CA-O 3.38Å; I99-I125 HydrophobicContact CG1-CB 4.3Å; I99-I125 HydrophobicContact CG1-CD1 4.32Å; I99-L157 HydrophobicContact CG2-CD1 4.39Å; I99-L157 HydrophobicContact CG2-CD2 3.71Å; I99-I161 HydrophobicContact CD1-CD1 4.23Å; I99-I161 HydrophobicContact CD1-CG1 3.63Å; I99-L164 HydrophobicContact CD1-CD1 3.73Å; I99-L164 HydrophobicContact CG1-CD1 4.47Å; I99-A192 HydrophobicContact CD1-CB 3.99Å; I99-A192 HydrophobicContact CG1-CB 4.49Å; I99-I193 PolarHBondContact N-O 2.94Å; I99-V194 HydrophobicContact CB-CB 4.44Å; I99-V194 HydrophobicContact CB-CG1 4.36Å; I99-V194 HydrophobicContact CB-CG2 4.13Å; I99-V194 HydrophobicContact CD1-CG2 4.18Å; I99-V194 HydrophobicContact CG2-CG1 4.33Å; I99-V194 CarbonylContact O-C 3.56Å; I99-V194 VanDerWaalsContact O-CA 3.32Å; I99-V194 WeakPolarHBondContact O-CA 3.48Å; I99-I195 PolarHBondContact O-N 3.02Å
100L98Very high94.1Very high2 Ų248.1 Ų48.11%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-101.9106.3-178-47.5178.5000109.5L98 L103 L109 I112 V124 I125 I126 P127 I195L98-L100 HydrophobicContact CB-CD2 4.31Å; L100-L103 HydrophobicContact CB-CB 4.09Å; L100-L103 HydrophobicContact CD1-CD2 3.72Å; L100-L109 HydrophobicContact CD1-CD1 3.7Å; L100-I112 HydrophobicContact CD1-CD1 4.07Å; L100-I112 HydrophobicContact CD1-CG2 4.32Å; L100-I112 HydrophobicContact CD2-CD1 4.11Å; L100-V124 HydrophobicContact CD1-CG1 3.48Å; L100-V124 VanDerWaalsContact CD1-CG1 3.48Å; L100-V124 HydrophobicContact CG-CG1 3.86Å; L100-I125 PolarHBondContact N-O 3.41Å; L100-I126 HydrophobicContact CB-CG2 4.04Å; L100-I126 HydrophobicContact CD1-CG2 3.96Å; L100-I126 HydrophobicContact CG-CG2 4.23Å; L100-P127 WeakPolarHBondContact O-CD 3.4Å; L100-I195 HydrophobicContact CD2-CB 3.89Å; L100-I195 HydrophobicContact CD2-CG1 4.04Å
101D95.9Very high94.6Very high18 Ų1843.4 Ų43.410%0.09624%0.238CC..EExtended strand (participates in β ladder)trans-95.4106.3-178.3-169.414.2000111L157 V194 I195 G196 S197 S203 V206D101-L157 HydrophobicContact CB-CD1 3.94Å; D101-L157 WeakPolarHBondContact OD1-CD1 3.38Å; D101-V194 HydrophobicContact CB-CG1 4.44Å; D101-I195 PolarHBondContact N-O 2.9Å; D101-G196 CarbonylContact O-C 3.59Å; D101-S197 WeakPolarHBondContact O-CB 3.45Å; D101-S197 PolarHBondContact O-N 2.85Å; D101-S203 WeakPolarHBondContact OD2-CA 3.47Å; D101-S203 WeakPolarHBondContact OD2-CB 3.5Å; D101-S203 PolarHBondContact OD2-N 2.75Å; D101-S203 PolarHBondContact OD2-OG 2.72Å; D101-V206 WeakPolarHBondContact OD2-CG2 3.34Å
102G91.1Very high95.3Very high22 Ų2238.3 Ų38.323%0.22722%0.215CC..SBendtrans78.120.6176.700000115.1E104 S197G102-E104 PolarHBondContact O-N 3.06Å; G102-S197 WeakPolarHBondContact O-CB 3.31Å
103L93.7Very high96Very high12 Ų1228.7 Ų28.76%0.06317%0.17CC..  trans-72.7120.6172.6-170.973.3000110.4L100 N108 L109 I112 S131 V132 A227L100-L103 HydrophobicContact CB-CB 4.09Å; L100-L103 HydrophobicContact CD1-CD2 3.72Å; L103-N108 HydrophobicContact CD1-CB 3.8Å; L103-N108 HydrophobicContact CD2-CB 4.23Å; L103-N108 HydrophobicContact CG-CB 4.39Å; L103-L109 HydrophobicContact CD2-CB 4.11Å; L103-L109 HydrophobicContact CD2-CD1 4.5Å; L103-I112 HydrophobicContact CD2-CD1 3.69Å; L103-S131 CarbonylContact O-C 3.52Å; L103-S131 WeakPolarHBondContact O-CA 3.17Å; L103-V132 HydrophobicContact CD2-CG1 4.29Å; L103-V132 HydrophobicContact CG-CG1 4.42Å; L103-V132 WeakPolarHBondContact O-CG1 3.4Å; L103-V132 PolarHBondContact O-N 3.38Å; L103-A227 HydrophobicContact CD1-CB 3.76Å
104E91.9Very high96.4Very high124 Ų12432.5 Ų32.558%0.57917%0.166SC*.  trans-113.3-20.9-178.2-61.9-166.6168.400114.4G102 P106G102-E104 PolarHBondContact O-N 3.06Å; E104-P106 WeakPolarHBondContact O-CD 3.23Å
105D93.4Very high96.6Very high63 Ų6330 Ų3034%0.33715%0.154SC..  trans-80.5120.8-176.7-179.96.3000112.5H107 N108 L109D105-H107 VanDerWaalsContact C-N 3.3Å; D105-H107 PolarHBondContact O-N 2.73Å; D105-H107 IonicContact OD1-CD2 3.73Å; D105-H107 IonicContact OD1-CG 3.47Å; D105-H107 PolarHBondContact OD1-N 2.83Å; D105-N108 HydrophobicContact CB-CB 4.1Å; D105-N108 PolarHBondContact O-N 3.43Å; D105-L109 PolarHBondContact O-N 2.91Å; D105-L109 VanDerWaalsContact O-N 3.15Å
106P93.1Very high96.7Very high37 Ų3729.2 Ų29.224%0.2415%0.15CC..Hα-helixtrans-62-29.3175.126.6-35.9000114.8E104 G110 V132 T137 V138E104-P106 WeakPolarHBondContact O-CD 3.23Å; P106-G110 PolarHBondContact O-N 2.82Å; P106-V132 HydrophobicContact CB-CG2 4.13Å; P106-T137 HydrophobicContact CB-CG2 3.9Å; P106-T137 HydrophobicContact CG-CG2 3.92Å; P106-V138 HydrophobicContact CB-CG2 3.66Å
107H95.8Very high96.7Very high110 Ų11032.7 Ų32.751%0.50917%0.168SC..Hα-helixtrans-69.9-40.5177-71.7-78.4000111.5D105 G110 S111D105-H107 VanDerWaalsContact C-N 3.3Å; D105-H107 PolarHBondContact O-N 2.73Å; D105-H107 IonicContact OD1-CD2 3.73Å; D105-H107 IonicContact OD1-CG 3.47Å; D105-H107 PolarHBondContact OD1-N 2.83Å; H107-G110 PolarHBondContact O-N 3.15Å; H107-S111 PolarHBondContact O-N 2.98Å; H107-S111 PolarHBondContact O-OG 3.34Å
108N95.7Very high96.6Very high10 Ų1035.5 Ų35.55%0.05319%0.191CC..Hα-helixtrans-61.6-47.6173.3-80.9-17.4000111.1L103 D105 G110 S111 I112 E198 N226L103-N108 HydrophobicContact CD1-CB 3.8Å; L103-N108 HydrophobicContact CD2-CB 4.23Å; L103-N108 HydrophobicContact CG-CB 4.39Å; D105-N108 HydrophobicContact CB-CB 4.1Å; D105-N108 PolarHBondContact O-N 3.43Å; N108-G110 PolarHBondContact O-N 3.44Å; N108-S111 PolarHBondContact O-N 3.04Å; N108-I112 VanDerWaalsContact O-CG1 3.25Å; N108-I112 WeakPolarHBondContact O-CG1 3.41Å; N108-I112 PolarHBondContact O-N 3.29Å; N108-E198 PolarHBondContact ND2-OE1 3.21Å; N108-N226 PolarHBondContact OD1-ND2 3.15Å; N108-N226 PolarHBondContact OD1-OD1 3.2Å
109L97Very high96.6Very high0 Ų036.1 Ų36.10%020%0.195CC..Hα-helixtrans-60.6-45.8178.1-17961.3000111.6L100 L103 D105 S111 I112 L113 V124 V132 L134 V138L100-L109 HydrophobicContact CD1-CD1 3.7Å; L103-L109 HydrophobicContact CD2-CB 4.11Å; L103-L109 HydrophobicContact CD2-CD1 4.5Å; D105-L109 PolarHBondContact O-N 2.91Å; D105-L109 VanDerWaalsContact O-N 3.15Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.49Å; L109-I112 PolarHBondContact O-N 2.61Å; L109-L113 HydrophobicContact CD1-CD1 4.44Å; L109-L113 HydrophobicContact CD1-CD2 4.25Å; L109-L113 HydrophobicContact CD1-CG 4.08Å; L109-L113 HydrophobicContact CG-CD1 4.17Å; L109-L113 HydrophobicContact CG-CG 4.22Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.13Å; L109-V124 HydrophobicContact CD1-CG1 4.44Å; L109-V132 HydrophobicContact CB-CB 4.47Å; L109-V132 HydrophobicContact CB-CG1 3.94Å; L109-V132 HydrophobicContact CB-CG2 3.86Å; L109-V132 HydrophobicContact CD1-CG1 4.47Å; L109-V132 HydrophobicContact CD2-CB 4.34Å; L109-V132 HydrophobicContact CD2-CG1 3.59Å; L109-V132 HydrophobicContact CD2-CG2 3.82Å; L109-V132 HydrophobicContact CG-CG1 4.19Å; L109-V132 HydrophobicContact CG-CG2 4.48Å; L109-L134 HydrophobicContact CD2-CD2 4.05Å; L109-V138 HydrophobicContact CB-CG1 4.28Å; L109-V138 HydrophobicContact CB-CG2 4.35Å; L109-V138 HydrophobicContact CD2-CG1 3.85Å; L109-V138 HydrophobicContact CD2-CG2 4.05Å; L109-V138 HydrophobicContact CG-CG1 3.85Å; L109-V138 HydrophobicContact CG-CG2 4.49Å
110G97.9Very high96.4Very high0 Ų038.8 Ų38.80%022%0.223CC..Hα-helixtrans-58.6-43.1179.100000112.3P106 H107 N108 I112 L113 R114 S142P106-G110 PolarHBondContact O-N 2.82Å; H107-G110 PolarHBondContact O-N 3.15Å; N108-G110 PolarHBondContact O-N 3.44Å; G110-I112 PolarHBondContact O-N 2.89Å; G110-L113 PolarHBondContact O-N 3Å; G110-R114 PolarHBondContact O-N 3.34Å; G110-S142 VanDerWaalsContact O-CA 3.23Å; G110-S142 WeakPolarHBondContact O-CA 3.45Å; G110-S142 WeakPolarHBondContact O-CB 3.31Å
111S98.4Very high96.5Very high47 Ų4739.1 Ų39.133%0.32923%0.225SC..Hα-helixtrans-65.3-38177.2-54.80000112.6H107 N108 L109 R114 T115H107-S111 PolarHBondContact O-N 2.98Å; H107-S111 PolarHBondContact O-OG 3.34Å; N108-S111 PolarHBondContact O-N 3.04Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 3.49Å; S111-R114 PolarHBondContact O-N 3.44Å; S111-T115 PolarHBondContact O-N 2.88Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 2.88Å; S111-T115 VanDerWaalsContact O-OG1 3.09Å
112I98.7Very high96.6Very high0 Ų039.4 Ų39.40%023%0.226CC..Hα-helixtrans-63.9-48.5174.1-69.5166.7000110.5L98 L100 L103 N108 L109 G110 R114 T115 A116 A231 M235L98-I112 HydrophobicContact CD1-CG2 3.66Å; L100-I112 HydrophobicContact CD1-CD1 4.07Å; L100-I112 HydrophobicContact CD1-CG2 4.32Å; L100-I112 HydrophobicContact CD2-CD1 4.11Å; L103-I112 HydrophobicContact CD2-CD1 3.69Å; N108-I112 VanDerWaalsContact O-CG1 3.25Å; N108-I112 WeakPolarHBondContact O-CG1 3.41Å; N108-I112 PolarHBondContact O-N 3.29Å; L109-I112 PolarHBondContact O-N 2.61Å; G110-I112 PolarHBondContact O-N 2.89Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 3.17Å; I112-T115 PolarHBondContact O-N 3.4Å; I112-T115 VanDerWaalsContact O-N 3.13Å; I112-A116 VanDerWaalsContact O-CB 3.31Å; I112-A116 WeakPolarHBondContact O-CB 3.49Å; I112-A116 PolarHBondContact O-N 2.94Å; I112-A231 HydrophobicContact CD1-CB 4.14Å; I112-A231 HydrophobicContact CG1-CB 3.86Å; I112-M235 HydrophobicContact CG2-CE 4.18Å
113L98.8Very high96.9Very high0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-60.3-40.3178.7-65.4-179.7000111.8L109 G110 T115 A116 D117 V124 L134 V138 A145 I146 V149 V151L109-L113 HydrophobicContact CD1-CD1 4.44Å; L109-L113 HydrophobicContact CD1-CD2 4.25Å; L109-L113 HydrophobicContact CD1-CG 4.08Å; L109-L113 HydrophobicContact CG-CD1 4.17Å; L109-L113 HydrophobicContact CG-CG 4.22Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.13Å; G110-L113 PolarHBondContact O-N 3Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.13Å; L113-A116 PolarHBondContact O-N 2.95Å; L113-D117 WeakPolarHBondContact O-CB 3.25Å; L113-D117 PolarHBondContact O-N 3.3Å; L113-V124 HydrophobicContact CD2-CB 4.2Å; L113-V124 HydrophobicContact CD2-CG2 3.88Å; L113-L134 HydrophobicContact CD1-CD2 4.25Å; L113-V138 HydrophobicContact CD1-CG1 3.74Å; L113-A145 WeakPolarHBondContact O-CB 3.36Å; L113-I146 HydrophobicContact CD1-CB 4.19Å; L113-I146 HydrophobicContact CD1-CG1 4.12Å; L113-V149 HydrophobicContact CD2-CB 4.21Å; L113-V149 HydrophobicContact CD2-CG1 3.95Å; L113-V151 HydrophobicContact CD1-CG2 4.13Å; L113-V151 HydrophobicContact CD2-CG2 3.52Å; L113-V151 HydrophobicContact CG-CG2 4.48Å
114R98.5Very high97.1Very high140 Ų14037.8 Ų37.853%0.52821%0.213SC..Hα-helixtrans-61.2-41175.7-174.5177.4178.3178.1-0.1112.5G110 S111 I112 A118 T143G110-R114 PolarHBondContact O-N 3.34Å; S111-R114 PolarHBondContact O-N 3.44Å; I112-R114 VanDerWaalsContact C-N 3.29Å; I112-R114 PolarHBondContact O-N 3.17Å; R114-A118 WeakPolarHBondContact O-CB 3.28Å; R114-A118 PolarHBondContact O-N 3.36Å; R114-T143 WeakPolarHBondContact CD-OG1 3.36Å; R114-T143 PolarHBondContact NE-OG1 2.88Å
115T98.7Very high97.5Very high22 Ų2231.9 Ų31.914%0.13519%0.185CC..Hα-helixtrans-73.3-39.5177.3-510000111.1S111 I112 L113 D117 A118 T119 S232 M235 Y236S111-T115 PolarHBondContact O-N 2.88Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 2.88Å; S111-T115 VanDerWaalsContact O-OG1 3.09Å; I112-T115 PolarHBondContact O-N 3.4Å; I112-T115 VanDerWaalsContact O-N 3.13Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.13Å; T115-D117 VanDerWaalsContact C-N 3.31Å; T115-D117 PolarHBondContact O-N 2.94Å; T115-A118 PolarHBondContact O-N 2.87Å; T115-A118 VanDerWaalsContact O-N 3.11Å; T115-T119 HydrophobicContact CG2-CG2 4.15Å; T115-T119 PolarHBondContact O-N 3.03Å; T115-T119 PolarHBondContact O-OG1 2.88Å; T115-S232 PolarHBondContact OG1-OG 2.81Å; T115-M235 HydrophobicContact CG2-CB 4.31Å; T115-M235 HydrophobicContact CG2-CE 3.67Å; T115-M235 HydrophobicContact CG2-SD 4.17Å; T115-Y236 HydrophobicContact CG2-CD2 4Å; T115-Y236 HydrophobicContact CG2-CE2 3.81Å
116A98.8Very high97.6Very high0 Ų029 Ų290%017%0.169CC..Hα-helixtrans-56.4-45.617700000111.6I112 L113 T119 G120 V121 V124 V149 M235I112-A116 VanDerWaalsContact O-CB 3.31Å; I112-A116 WeakPolarHBondContact O-CB 3.49Å; I112-A116 PolarHBondContact O-N 2.94Å; L113-A116 PolarHBondContact O-N 2.95Å; A116-T119 PolarHBondContact O-N 2.94Å; A116-G120 PolarHBondContact O-N 3.28Å; A116-V121 HydrophobicContact CB-CB 3.8Å; A116-V121 HydrophobicContact CB-CG1 4.12Å; A116-V121 HydrophobicContact CB-CG2 4.34Å; A116-V121 PolarHBondContact O-N 3.03Å; A116-V124 HydrophobicContact CB-CG2 4.36Å; A116-V149 HydrophobicContact CB-CG1 4.02Å; A116-V149 HydrophobicContact CB-CG2 4.17Å; A116-M235 WeakPolarHBondContact CA-SD 3.4Å; A116-M235 HydrophobicContact CB-SD 3.84Å
117D98.6Very high97.7Very high79 Ų7928 Ų2842%0.42216%0.163SC..Hα-helixtrans-60.1-49.3173.2-174.754.7000111.5L113 T115 T119 G120 A145 V149L113-D117 WeakPolarHBondContact O-CB 3.25Å; L113-D117 PolarHBondContact O-N 3.3Å; T115-D117 VanDerWaalsContact C-N 3.31Å; T115-D117 PolarHBondContact O-N 2.94Å; D117-T119 VanDerWaalsContact C-N 3.26Å; D117-T119 PolarHBondContact O-N 2.92Å; D117-G120 PolarHBondContact O-N 3.48Å; D117-A145 HydrophobicContact CB-CB 3.62Å; D117-V149 HydrophobicContact CB-CG2 3.71Å
118A97.9Very high97.4Very high58 Ų5824.7 Ų24.748%0.47915%0.147SC..Hα-helixtrans-63.7-27-179.200000114.3R114 T115R114-A118 WeakPolarHBondContact O-CB 3.28Å; R114-A118 PolarHBondContact O-N 3.36Å; T115-A118 PolarHBondContact O-N 2.87Å; T115-A118 VanDerWaalsContact O-N 3.11Å
119T97.3Very high96.9Very high14 Ų1433 Ų339%0.08618%0.178CC..THydrogen-bonded Turntrans-106.15.2-17960.10000113.7T115 A116 D117 M235 Y236 F239T115-T119 HydrophobicContact CG2-CG2 4.15Å; T115-T119 PolarHBondContact O-N 3.03Å; T115-T119 PolarHBondContact O-OG1 2.88Å; A116-T119 PolarHBondContact O-N 2.94Å; D117-T119 VanDerWaalsContact C-N 3.26Å; D117-T119 PolarHBondContact O-N 2.92Å; T119-M235 HydrophobicContact CG2-CB 4.21Å; T119-Y236 HydrophobicContact CG2-CD1 4.03Å; T119-Y236 HydrophobicContact CG2-CD2 3.87Å; T119-Y236 HydrophobicContact CG2-CE1 3.97Å; T119-Y236 HydrophobicContact CG2-CE2 3.83Å; T119-Y236 HydrophobicContact CG2-CG 3.98Å; T119-F239 HydrophobicContact CG2-CB 4.27Å; T119-F239 HydrophobicContact CG2-CG 4.46Å
120G96.1Very high96.3Very high56 Ų5642.3 Ų42.358%0.57721%0.213SC*.THydrogen-bonded Turntrans67.933.2178.700000115A116 D117 D122A116-G120 PolarHBondContact O-N 3.28Å; D117-G120 PolarHBondContact O-N 3.48Å; G120-D122 PolarHBondContact O-N 3.1Å
121V98.1Very high95.9Very high10 Ų1043.3 Ų43.36%0.06122%0.22CC..  trans-67.7129.4171.1165.60000109.5T96 L98 A116 G123 M235T96-V121 HydrophobicContact CG2-CG2 4.04Å; T96-V121 WeakPolarHBondContact O-CG1 3.29Å; L98-V121 HydrophobicContact CG-CG1 4.28Å; A116-V121 HydrophobicContact CB-CB 3.8Å; A116-V121 HydrophobicContact CB-CG1 4.12Å; A116-V121 HydrophobicContact CB-CG2 4.34Å; A116-V121 PolarHBondContact O-N 3.03Å; V121-G123 WeakPolarHBondContact CG1-O 3.47Å; V121-G123 PolarHBondContact O-N 2.67Å; V121-M235 HydrophobicContact CG2-CB 4.49Å; V121-M235 HydrophobicContact CG2-CG 3.75Å; V121-M235 HydrophobicContact CG2-SD 3.68Å
122D98.1Very high95.4Very high24 Ų2441.3 Ų41.313%0.12821%0.206CC..  trans-72.4-27.6-174.1-68.3-83.9000114F84 Q88 K91 L95 T96 V97 G120 P150F84-D122 HydrophobicContact CE2-CB 4.32Å; F84-D122 VanDerWaalsContact CE2-O 3.28Å; F84-D122 WeakPolarHBondContact CE2-O 3.43Å; F84-D122 HydrophobicContact CZ-CB 4.11Å; Q88-D122 PolarHBondContact NE2-OD1 3.01Å; K91-D122 IonicContact NZ-OD1 2.86Å; K91-D122 PolarHBondContact NZ-OD1 3.3Å; K91-D122 VanDerWaalsContact NZ-OD1 3.13Å; L95-D122 VanDerWaalsContact CA-OD2 3.25Å; L95-D122 WeakPolarHBondContact CA-OD2 3.36Å; T96-D122 PolarHBondContact N-OD2 3.41Å; T96-D122 WeakPolarHBondContact O-CB 3.48Å; T96-D122 PolarHBondContact O-N 2.76Å; V97-D122 HydrophobicContact CG1-CB 4.48Å; G120-D122 PolarHBondContact O-N 3.1Å; D122-P150 VanDerWaalsContact O-CD 3.31Å; D122-P150 WeakPolarHBondContact O-CD 3.32Å; D122-P150 WeakPolarHBondContact O-CG 3.38Å
123G98.4Very high94.9Very high0 Ų042.4 Ų42.40%021%0.212CC..EExtended strand (participates in β ladder)trans-172.9157.7-17900000114.4V97 L98 V121 P150V97-G123 CarbonylContact C-O 3.57Å; V97-G123 VanDerWaalsContact CA-O 3.29Å; V97-G123 WeakPolarHBondContact CA-O 3.13Å; L98-G123 PolarHBondContact N-O 2.95Å; V121-G123 WeakPolarHBondContact CG1-O 3.47Å; V121-G123 PolarHBondContact O-N 2.67Å; G123-P150 CarbonylContact C-O 3.54Å; G123-P150 WeakPolarHBondContact CA-O 3.19Å
124V98.8Very high94.5Very high0 Ų042.6 Ų42.60%021%0.213CC..EExtended strand (participates in β ladder)trans-123.4116.4179179.80000109.6L98 L100 L109 L113 A116 I126 V149 P150 V151 I152L98-V124 HydrophobicContact CB-CG1 4.49Å; L98-V124 HydrophobicContact CB-CG2 4.29Å; L98-V124 CarbonylContact O-C 3.57Å; L98-V124 WeakPolarHBondContact O-CA 3.46Å; L100-V124 HydrophobicContact CD1-CG1 3.48Å; L100-V124 VanDerWaalsContact CD1-CG1 3.48Å; L100-V124 HydrophobicContact CG-CG1 3.86Å; L109-V124 HydrophobicContact CD1-CG1 4.44Å; L113-V124 HydrophobicContact CD2-CB 4.2Å; L113-V124 HydrophobicContact CD2-CG2 3.88Å; A116-V124 HydrophobicContact CB-CG2 4.36Å; V124-I126 HydrophobicContact CG1-CG2 4.21Å; V124-V149 HydrophobicContact CG2-CG1 3.83Å; V124-P150 PolarHBondContact N-O 2.76Å; V124-V151 HydrophobicContact CB-CG2 4.43Å; V124-V151 CarbonylContact O-C 3.59Å; V124-V151 VanDerWaalsContact O-CA 3.3Å; V124-V151 WeakPolarHBondContact O-CA 3.36Å; V124-I152 PolarHBondContact O-N 3.31Å
125I98.7Very high94.1Very high0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-99.3128.9-178.1-60.2169000109.2F81 L98 I99 L100 I152 V154 L157 T160 L164F81-I125 HydrophobicContact CD2-CD1 4.38Å; F81-I125 HydrophobicContact CE2-CD1 4.02Å; L98-I125 PolarHBondContact O-N 3.19Å; I99-I125 WeakPolarHBondContact CA-O 3.38Å; I99-I125 HydrophobicContact CG1-CB 4.3Å; I99-I125 HydrophobicContact CG1-CD1 4.32Å; L100-I125 PolarHBondContact N-O 3.41Å; I125-I152 WeakPolarHBondContact CA-O 3.47Å; I125-I152 HydrophobicContact CG1-CB 4.15Å; I125-I152 HydrophobicContact CG1-CD1 3.99Å; I125-V154 HydrophobicContact CG2-CG1 4.1Å; I125-V154 HydrophobicContact CG2-CG2 3.71Å; I125-L157 HydrophobicContact CG2-CD2 3.98Å; I125-T160 HydrophobicContact CD1-CG2 4.2Å; I125-T160 HydrophobicContact CG2-CG2 4.2Å; I125-L164 HydrophobicContact CD1-CD1 3.79Å
126I97.1Very high93.5Very high1 Ų140.2 Ų40.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-130.2150.9176.572.8-176.5000110.6Y78 L100 V124 V132 V151 I152 R153 V154Y78-I126 HydrophobicContact CE1-CD1 4.08Å; L100-I126 HydrophobicContact CB-CG2 4.04Å; L100-I126 HydrophobicContact CD1-CG2 3.96Å; L100-I126 HydrophobicContact CG-CG2 4.23Å; V124-I126 HydrophobicContact CG1-CG2 4.21Å; I126-V132 WeakPolarHBondContact CD1-O 3.27Å; I126-V151 HydrophobicContact CD1-CG1 3.99Å; I126-V151 HydrophobicContact CG1-CG1 4.39Å; I126-I152 PolarHBondContact N-O 2.88Å; I126-R153 HydrophobicContact CD1-CG 3.85Å; I126-R153 HydrophobicContact CG1-CG 3.48Å; I126-R153 VanDerWaalsContact CG1-CG 3.48Å; I126-R153 WeakPolarHBondContact O-CA 3.33Å; I126-V154 PolarHBondContact O-N 2.99Å
127P94.2Very high93.1Very high16 Ų1642.9 Ų42.910%0.10423%0.225CC..EExtended strand (participates in β ladder)trans-70.1159.3176.124.8-27.9000111L100 S131 V154 L157L100-P127 WeakPolarHBondContact O-CD 3.4Å; P127-S131 WeakPolarHBondContact O-CB 3.43Å; P127-S131 PolarHBondContact O-OG 2.85Å; P127-V154 CarbonylContact C-O 3.55Å; P127-V154 WeakPolarHBondContact CA-O 3.18Å; P127-L157 HydrophobicContact CB-CD1 4.14Å; P127-L157 HydrophobicContact CB-CG 4.11Å; P127-L157 HydrophobicContact CG-CD1 4.02Å; P127-L157 HydrophobicContact CG-CG 4.49Å
128K89Confident92.9Very high41 Ų4139.1 Ų39.118%0.17821%0.205CC..SBendtrans-69.9-31.1173.5-83.1-174.7178-173.90113K47 I49 R153 V154K47-K128 VanDerWaalsContact CB-NZ 3.27Å; K47-K128 PolarHBondContact O-NZ 3.09Å; I49-K128 HydrophobicContact CD1-CB 3.95Å; I49-K128 WeakPolarHBondContact CD1-O 3.5Å; I49-K128 HydrophobicContact CG1-CB 4.36Å; K128-R153 WeakPolarHBondContact CE-O 3.49Å; K128-R153 HydrophobicContact CG-CB 4.12Å; K128-R153 PolarHBondContact O-NH2 3.37Å; K128-V154 PolarHBondContact N-O 2.89Å
129R86.7Confident92.6Very high186 Ų18637 Ų3770%0.70219%0.187SC*.SBendtrans-118151.3-175.3-61.7-178.9-177.5179.21109.9S131R129-S131 PolarHBondContact O-N 3.16Å
130R84.1Confident92.4Very high194 Ų19444.2 Ų44.273%0.73222%0.217SC*.SBendtrans51.449.1-177.2-58.3-179-61.5-94.1-2.7110.7
131S87.8Confident92.4Very high21 Ų2142.6 Ų42.615%0.14720%0.199CC..SBendtrans-137.4149.4-179.879.40000108.6L103 P127 R129L103-S131 CarbonylContact O-C 3.52Å; L103-S131 WeakPolarHBondContact O-CA 3.17Å; P127-S131 WeakPolarHBondContact O-CB 3.43Å; P127-S131 PolarHBondContact O-OG 2.85Å; R129-S131 PolarHBondContact O-N 3.16Å
132V89.5Confident92.3Very high6 Ų642.1 Ų42.14%0.03620%0.196CC..  trans-53.6153.5158.661.20000110.1L103 P106 L109 I126 V138L103-V132 HydrophobicContact CD2-CG1 4.29Å; L103-V132 HydrophobicContact CG-CG1 4.42Å; L103-V132 WeakPolarHBondContact O-CG1 3.4Å; L103-V132 PolarHBondContact O-N 3.38Å; P106-V132 HydrophobicContact CB-CG2 4.13Å; L109-V132 HydrophobicContact CB-CB 4.47Å; L109-V132 HydrophobicContact CB-CG1 3.94Å; L109-V132 HydrophobicContact CB-CG2 3.86Å; L109-V132 HydrophobicContact CD1-CG1 4.47Å; L109-V132 HydrophobicContact CD2-CB 4.34Å; L109-V132 HydrophobicContact CD2-CG1 3.59Å; L109-V132 HydrophobicContact CD2-CG2 3.82Å; L109-V132 HydrophobicContact CG-CG1 4.19Å; L109-V132 HydrophobicContact CG-CG2 4.48Å; I126-V132 WeakPolarHBondContact CD1-O 3.27Å; V132-V138 HydrophobicContact CG2-CG2 4.14Å
133T88.5Confident92Very high22 Ų2245.2 Ų45.214%0.13522%0.216CC..  trans-121.6153.3174.457.50000110N23 Y78 T135 V138N23-T133 PolarHBondContact ND2-OG1 3.35Å; N23-T133 VanDerWaalsContact OD1-CG2 3.29Å; N23-T133 WeakPolarHBondContact OD1-CG2 3.37Å; Y78-T133 WeakPolarHBondContact OH-CA 3.48Å; Y78-T133 WeakPolarHBondContact OH-CB 3.48Å; T133-T135 VanDerWaalsContact C-N 3.32Å; T133-T135 PolarHBondContact O-N 3.01Å; T133-T135 WeakPolarHBondContact OG1-CG2 3.33Å; T133-V138 WeakPolarHBondContact O-CG2 3.47Å
134L89.9Confident91.7Very high4 Ų446.8 Ų46.82%0.02123%0.232CC..  trans-65.289.1173.7-62.6178.3000110.5P75 Y76 Y78 L109 L113 V138 I146 V151P75-L134 VanDerWaalsContact CD-O 3.27Å; P75-L134 WeakPolarHBondContact CD-O 2.98Å; P75-L134 VanDerWaalsContact CG-O 3.28Å; P75-L134 WeakPolarHBondContact CG-O 3.31Å; Y76-L134 HydrophobicContact CD2-CB 4.33Å; Y78-L134 HydrophobicContact CD1-CD1 3.76Å; Y78-L134 HydrophobicContact CD1-CG 4.21Å; Y78-L134 HydrophobicContact CE1-CB 4.34Å; Y78-L134 HydrophobicContact CE1-CD1 3.55Å; Y78-L134 HydrophobicContact CE1-CG 3.49Å; Y78-L134 VanDerWaalsContact CE1-CG 3.49Å; Y78-L134 HydrophobicContact CG-CD1 4.36Å; Y78-L134 PolarHBondContact OH-N 3Å; L109-L134 HydrophobicContact CD2-CD2 4.05Å; L113-L134 HydrophobicContact CD1-CD2 4.25Å; L134-V138 HydrophobicContact CD2-CG1 4.36Å; L134-I146 HydrophobicContact CB-CD1 4.21Å; L134-I146 HydrophobicContact CD2-CD1 3.88Å; L134-I146 HydrophobicContact CD2-CG1 4.07Å; L134-V151 HydrophobicContact CD1-CB 4.09Å; L134-V151 HydrophobicContact CD1-CG1 4.47Å; L134-V151 HydrophobicContact CD2-CB 4.09Å; L134-V151 HydrophobicContact CD2-CG1 4.11Å; L134-V151 HydrophobicContact CD2-CG2 3.91Å; L134-V151 HydrophobicContact CG-CB 4.47Å; L134-V151 HydrophobicContact CG-CG1 4.43Å
135T88.9Confident91.6Very high27 Ų2746.9 Ų46.917%0.16623%0.233CC..  trans-105.7170.5179.659.10000110.5T133 T137 V138 A139T133-T135 VanDerWaalsContact C-N 3.32Å; T133-T135 PolarHBondContact O-N 3.01Å; T133-T135 WeakPolarHBondContact OG1-CG2 3.33Å; T135-T137 PolarHBondContact O-N 3.44Å; T135-T137 PolarHBondContact OG1-N 3.13Å; T135-V138 WeakPolarHBondContact O-CB 3.49Å; T135-V138 PolarHBondContact O-N 3.11Å; T135-V138 PolarHBondContact OG1-N 3.23Å; T135-A139 PolarHBondContact O-N 2.97Å
136Q86.9Confident91.4Very high85 Ų8547.5 Ų47.540%0.39724%0.236SC..Hα-helixtrans-57.8-28.4169.9-70.9-64.6-37.500113P75 A139 K140P75-Q136 HydrophobicContact CG-CG 4.47Å; Q136-A139 PolarHBondContact O-N 3.32Å; Q136-K140 WeakPolarHBondContact O-CG 3.47Å; Q136-K140 PolarHBondContact O-N 3.08Å
137T91.3Very high91.2Very high57 Ų5753.3 Ų53.335%0.3526%0.263SS..Hα-helixtrans-66.8-42.5173.6-55.30000111.2P106 T135 K140 A141P106-T137 HydrophobicContact CB-CG2 3.9Å; P106-T137 HydrophobicContact CG-CG2 3.92Å; T135-T137 PolarHBondContact O-N 3.44Å; T135-T137 PolarHBondContact OG1-N 3.13Å; T137-K140 PolarHBondContact O-N 3.21Å; T137-A141 WeakPolarHBondContact O-CB 3.38Å; T137-A141 PolarHBondContact O-N 2.87Å
138V94Very high91.2Very high0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-61.9-45.1174.5-178.80000110.2P106 L109 L113 V132 T133 L134 T135 K140 A141 S142 I146P106-V138 HydrophobicContact CB-CG2 3.66Å; L109-V138 HydrophobicContact CB-CG1 4.28Å; L109-V138 HydrophobicContact CB-CG2 4.35Å; L109-V138 HydrophobicContact CD2-CG1 3.85Å; L109-V138 HydrophobicContact CD2-CG2 4.05Å; L109-V138 HydrophobicContact CG-CG1 3.85Å; L109-V138 HydrophobicContact CG-CG2 4.49Å; L113-V138 HydrophobicContact CD1-CG1 3.74Å; V132-V138 HydrophobicContact CG2-CG2 4.14Å; T133-V138 WeakPolarHBondContact O-CG2 3.47Å; L134-V138 HydrophobicContact CD2-CG1 4.36Å; T135-V138 WeakPolarHBondContact O-CB 3.49Å; T135-V138 PolarHBondContact O-N 3.11Å; T135-V138 PolarHBondContact OG1-N 3.23Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 2.98Å; V138-A141 PolarHBondContact O-N 3.41Å; V138-S142 WeakPolarHBondContact O-CB 3.5Å; V138-S142 PolarHBondContact O-N 3.37Å; V138-S142 PolarHBondContact O-OG 3.49Å; V138-I146 HydrophobicContact CB-CD1 4.24Å; V138-I146 HydrophobicContact CG1-CD1 3.94Å
139A91.3Very high91.6Very high13 Ų1357.4 Ų57.411%0.10728%0.282CS..Hα-helixtrans-60-42.4178.400000113.2Y76 T135 Q136 S142 T143 I146Y76-A139 HydrophobicContact CE2-CB 3.63Å; Y76-A139 VanDerWaalsContact OH-CB 3.28Å; Y76-A139 WeakPolarHBondContact OH-CB 3.4Å; T135-A139 PolarHBondContact O-N 2.97Å; Q136-A139 PolarHBondContact O-N 3.32Å; A139-S142 PolarHBondContact O-OG 3.02Å; A139-S142 VanDerWaalsContact O-OG 3.13Å; A139-T143 PolarHBondContact O-N 3.17Å; A139-I146 HydrophobicContact CB-CD1 4.12Å; A139-I146 HydrophobicContact CB-CG2 3.98Å
140K93.5Very high92.1Very high165 Ų16550.7 Ų50.772%0.71726%0.262SS*.Hα-helixtrans-64.3-44.4174.9-74176.7-178.9-174.50111.9Q136 T137 V138 S142 T143Q136-K140 WeakPolarHBondContact O-CG 3.47Å; Q136-K140 PolarHBondContact O-N 3.08Å; T137-K140 PolarHBondContact O-N 3.21Å; V138-K140 VanDerWaalsContact C-N 3.35Å; V138-K140 PolarHBondContact O-N 2.98Å; K140-S142 VanDerWaalsContact C-N 3.35Å; K140-T143 PolarHBondContact O-N 2.96Å
141A95.6Very high92.8Very high22 Ų2241.6 Ų41.618%0.18223%0.228CC..Hα-helixtrans-70.7-29.8-179.300000112.9T137 V138T137-A141 WeakPolarHBondContact O-CB 3.38Å; T137-A141 PolarHBondContact O-N 2.87Å; V138-A141 PolarHBondContact O-N 3.41Å
142S95.5Very high93.2Very high0 Ų040.7 Ų40.70%022%0.222CC..Hα-helixtrans-82.7-9.7178.871.40000114.4G110 V138 A139 K140 G144 A145 I146G110-S142 VanDerWaalsContact O-CA 3.23Å; G110-S142 WeakPolarHBondContact O-CA 3.45Å; G110-S142 WeakPolarHBondContact O-CB 3.31Å; V138-S142 WeakPolarHBondContact O-CB 3.5Å; V138-S142 PolarHBondContact O-N 3.37Å; V138-S142 PolarHBondContact O-OG 3.49Å; A139-S142 PolarHBondContact O-OG 3.02Å; A139-S142 VanDerWaalsContact O-OG 3.13Å; K140-S142 VanDerWaalsContact C-N 3.35Å; S142-G144 PolarHBondContact O-N 3.09Å; S142-A145 WeakPolarHBondContact O-CB 3.33Å; S142-A145 PolarHBondContact O-N 2.8Å; S142-A145 VanDerWaalsContact O-N 3.15Å; S142-I146 WeakPolarHBondContact OG-CB 3.44Å; S142-I146 PolarHBondContact OG-N 3.01Å
143T93.2Very high93.4Very high89 Ų8941.9 Ų41.955%0.54623%0.226SC..THydrogen-bonded Turntrans52.937.7179.457.70000113.8R114 A139 K140R114-T143 WeakPolarHBondContact CD-OG1 3.36Å; R114-T143 PolarHBondContact NE-OG1 2.88Å; A139-T143 PolarHBondContact O-N 3.17Å; K140-T143 PolarHBondContact O-N 2.96Å
144G91.2Very high93.7Very high33 Ų3341.4 Ų41.434%0.3422%0.222SC..THydrogen-bonded Turntrans100.3-19.5178.800000115S142 I146 E147S142-G144 PolarHBondContact O-N 3.09Å; G144-I146 PolarHBondContact O-N 2.86Å; G144-E147 WeakPolarHBondContact O-CB 3.48Å; G144-E147 PolarHBondContact O-N 3.06Å
145A96.8Very high93.8Very high3 Ų346.4 Ų46.43%0.02525%0.253CS..G310 helixtrans-59.3-21179.600000114.2L113 D117 S142 E147 H148 V149L113-A145 WeakPolarHBondContact O-CB 3.36Å; D117-A145 HydrophobicContact CB-CB 3.62Å; S142-A145 WeakPolarHBondContact O-CB 3.33Å; S142-A145 PolarHBondContact O-N 2.8Å; S142-A145 VanDerWaalsContact O-N 3.15Å; A145-E147 PolarHBondContact O-N 3.29Å; A145-H148 PolarHBondContact O-N 3.45Å; A145-H148 VanDerWaalsContact O-N 3.08Å; A145-V149 PolarHBondContact O-N 3.3Å
146I94.4Very high94Very high13 Ų1349.1 Ų49.17%0.06727%0.267CS..G310 helixtrans-58.2-26.7174.1-169167.7000113.4Y76 L113 L134 V138 A139 S142 G144 H148Y76-I146 HydrophobicContact CD1-CD1 4.34Å; Y76-I146 HydrophobicContact CD1-CG1 4.38Å; Y76-I146 HydrophobicContact CD2-CD1 3.46Å; Y76-I146 VanDerWaalsContact CD2-CD1 3.46Å; Y76-I146 HydrophobicContact CD2-CG1 4.33Å; Y76-I146 HydrophobicContact CE1-CG2 4.23Å; Y76-I146 HydrophobicContact CE2-CD1 3.76Å; Y76-I146 HydrophobicContact CG-CD1 3.8Å; Y76-I146 HydrophobicContact CG-CG1 4.18Å; L113-I146 HydrophobicContact CD1-CB 4.19Å; L113-I146 HydrophobicContact CD1-CG1 4.12Å; L134-I146 HydrophobicContact CB-CD1 4.21Å; L134-I146 HydrophobicContact CD2-CD1 3.88Å; L134-I146 HydrophobicContact CD2-CG1 4.07Å; V138-I146 HydrophobicContact CB-CD1 4.24Å; V138-I146 HydrophobicContact CG1-CD1 3.94Å; A139-I146 HydrophobicContact CB-CD1 4.12Å; A139-I146 HydrophobicContact CB-CG2 3.98Å; S142-I146 WeakPolarHBondContact OG-CB 3.44Å; S142-I146 PolarHBondContact OG-N 3.01Å; G144-I146 PolarHBondContact O-N 2.86Å; I146-H148 VanDerWaalsContact C-N 3.32Å
147E92.9Very high94.5Very high123 Ų12345.6 Ų45.658%0.57525%0.251SS*.G310 helixtrans-81.8-14.8179.9-54.1-70-175.200112.5Y76 G144 A145Y76-E147 WeakPolarHBondContact CE1-OE1 3.3Å; G144-E147 WeakPolarHBondContact O-CB 3.48Å; G144-E147 PolarHBondContact O-N 3.06Å; A145-E147 PolarHBondContact O-N 3.29Å
148H95.2Very high94.8Very high135 Ų13543.4 Ų43.463%0.62524%0.238SC*.THydrogen-bonded Turntrans-115.3-30-169-60.2-54.1000113A145 I146 P150A145-H148 PolarHBondContact O-N 3.45Å; A145-H148 VanDerWaalsContact O-N 3.08Å; I146-H148 VanDerWaalsContact C-N 3.32Å; H148-P150 WeakPolarHBondContact O-CD 3.49Å
149V97.6Very high95Very high7 Ų749.1 Ų49.14%0.04226%0.263CS..SBendtrans-94.6114.2-179.8-178.20000110L113 A116 D117 V124 A145 V151L113-V149 HydrophobicContact CD2-CB 4.21Å; L113-V149 HydrophobicContact CD2-CG1 3.95Å; A116-V149 HydrophobicContact CB-CG1 4.02Å; A116-V149 HydrophobicContact CB-CG2 4.17Å; D117-V149 HydrophobicContact CB-CG2 3.71Å; V124-V149 HydrophobicContact CG2-CG1 3.83Å; A145-V149 PolarHBondContact O-N 3.3Å; V149-V151 PolarHBondContact O-N 2.82Å; V149-V151 VanDerWaalsContact O-N 3.17Å
150P96.8Very high95.3Very high45 Ų4548.9 Ų48.929%0.29226%0.261SS..  trans-59120.1176.7-23.634000111.5A79 F84 D122 G123 V124 H148A79-P150 HydrophobicContact CB-CB 3.99Å; F84-P150 HydrophobicContact CD2-CB 4.41Å; D122-P150 VanDerWaalsContact O-CD 3.31Å; D122-P150 WeakPolarHBondContact O-CD 3.32Å; D122-P150 WeakPolarHBondContact O-CG 3.38Å; G123-P150 CarbonylContact C-O 3.54Å; G123-P150 WeakPolarHBondContact CA-O 3.19Å; V124-P150 PolarHBondContact N-O 2.76Å; H148-P150 WeakPolarHBondContact O-CD 3.49Å
151V97.5Very high95.6Very high4 Ų441 Ų412%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-106.1123.4172.5-175.60000109.7Y78 A79 L113 V124 I126 L134 V149Y78-V151 CarbonylContact C-O 3.6Å; Y78-V151 VanDerWaalsContact CA-O 3.28Å; Y78-V151 WeakPolarHBondContact CA-O 3.32Å; Y78-V151 HydrophobicContact CD1-CB 4.4Å; Y78-V151 HydrophobicContact CD1-CG1 4.06Å; Y78-V151 HydrophobicContact CE1-CG1 4.1Å; A79-V151 PolarHBondContact N-O 3.39Å; L113-V151 HydrophobicContact CD1-CG2 4.13Å; L113-V151 HydrophobicContact CD2-CG2 3.52Å; L113-V151 HydrophobicContact CG-CG2 4.48Å; V124-V151 HydrophobicContact CB-CG2 4.43Å; V124-V151 CarbonylContact O-C 3.59Å; V124-V151 VanDerWaalsContact O-CA 3.3Å; V124-V151 WeakPolarHBondContact O-CA 3.36Å; I126-V151 HydrophobicContact CD1-CG1 3.99Å; I126-V151 HydrophobicContact CG1-CG1 4.39Å; L134-V151 HydrophobicContact CD1-CB 4.09Å; L134-V151 HydrophobicContact CD1-CG1 4.47Å; L134-V151 HydrophobicContact CD2-CB 4.09Å; L134-V151 HydrophobicContact CD2-CG1 4.11Å; L134-V151 HydrophobicContact CD2-CG2 3.91Å; L134-V151 HydrophobicContact CG-CB 4.47Å; L134-V151 HydrophobicContact CG-CG1 4.43Å; V149-V151 PolarHBondContact O-N 2.82Å; V149-V151 VanDerWaalsContact O-N 3.17Å
152I96.7Very high95.7Very high1 Ų142.6 Ų42.61%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-114.8131-169.6-58.8146.7000109.1A79 F81 F84 V124 I125 I126 V154A79-I152 HydrophobicContact CB-CG1 3.82Å; F81-I152 HydrophobicContact CB-CG2 3.68Å; F81-I152 HydrophobicContact CD2-CG2 4.08Å; F81-I152 HydrophobicContact CG-CG2 4.36Å; F84-I152 HydrophobicContact CB-CD1 4.04Å; F84-I152 HydrophobicContact CD1-CD1 3.62Å; F84-I152 HydrophobicContact CD2-CD1 3.91Å; F84-I152 HydrophobicContact CE1-CD1 4.01Å; F84-I152 HydrophobicContact CE2-CD1 4.27Å; F84-I152 HydrophobicContact CG-CD1 3.56Å; F84-I152 HydrophobicContact CG-CG1 4.5Å; F84-I152 HydrophobicContact CZ-CD1 4.31Å; V124-I152 PolarHBondContact O-N 3.31Å; I125-I152 WeakPolarHBondContact CA-O 3.47Å; I125-I152 HydrophobicContact CG1-CB 4.15Å; I125-I152 HydrophobicContact CG1-CD1 3.99Å; I126-I152 PolarHBondContact N-O 2.88Å; I152-V154 HydrophobicContact CG2-CG1 4Å
153R93.2Very high95.8Very high32 Ų3244.8 Ų44.812%0.12124%0.242CC..EExtended strand (participates in β ladder)trans-109113.2179.1-88.1-175.983.6-176.115113.2N23 Y78 I126 K128N23-R153 PolarHBondContact OD1-NH1 2.92Å; Y78-R153 HydrophobicContact CD1-CB 4.11Å; Y78-R153 HydrophobicContact CD1-CG 3.49Å; Y78-R153 VanDerWaalsContact CD1-CG 3.49Å; Y78-R153 HydrophobicContact CD2-CG 4.5Å; Y78-R153 HydrophobicContact CE1-CG 3.52Å; Y78-R153 HydrophobicContact CG-CB 4.21Å; Y78-R153 HydrophobicContact CG-CG 4Å; I126-R153 HydrophobicContact CD1-CG 3.85Å; I126-R153 HydrophobicContact CG1-CG 3.48Å; I126-R153 VanDerWaalsContact CG1-CG 3.48Å; I126-R153 WeakPolarHBondContact O-CA 3.33Å; K128-R153 WeakPolarHBondContact CE-O 3.49Å; K128-R153 HydrophobicContact CG-CB 4.12Å; K128-R153 PolarHBondContact O-NH2 3.37Å
154V94.9Very high96.1Very high11 Ų1140.5 Ų40.57%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-111.2151-177.3-58.50000112.7F81 I125 I126 P127 K128 I152 L157 T160F81-V154 HydrophobicContact CB-CG1 4.25Å; F81-V154 HydrophobicContact CD2-CG1 4.47Å; F81-V154 HydrophobicContact CG-CG1 4.34Å; I125-V154 HydrophobicContact CG2-CG1 4.1Å; I125-V154 HydrophobicContact CG2-CG2 3.71Å; I126-V154 PolarHBondContact O-N 2.99Å; P127-V154 CarbonylContact C-O 3.55Å; P127-V154 WeakPolarHBondContact CA-O 3.18Å; K128-V154 PolarHBondContact N-O 2.89Å; I152-V154 HydrophobicContact CG2-CG1 4Å; V154-L157 HydrophobicContact CG2-CD2 3.61Å; V154-L157 HydrophobicContact CG2-CG 4.38Å; V154-T160 HydrophobicContact CB-CG2 4.47Å; V154-T160 WeakPolarHBondContact CB-OG1 3.03Å; V154-T160 HydrophobicContact CG1-CG2 3.96Å; V154-T160 HydrophobicContact CG2-CG2 4.25Å; V154-T160 WeakPolarHBondContact CG2-OG1 3.28Å
155T91.9Very high96.4Very high110 Ų11041.7 Ų41.768%0.67521%0.212SC*.SBendtrans-77.3-33.4-179.5-55.30000112
156N94.5Very high96.4Very high84 Ų8448.1 Ų48.145%0.44925%0.246SC..  trans-141.9102.9-173.7-177.5-21.5000109.8A158 K159 T160N156-A158 VanDerWaalsContact C-N 3.34Å; N156-A158 PolarHBondContact O-N 3.05Å; N156-A158 PolarHBondContact OD1-N 3.16Å; N156-A158 VanDerWaalsContact OD1-N 3.09Å; N156-K159 HydrophobicContact CB-CB 4.1Å; N156-K159 PolarHBondContact O-N 2.82Å; N156-K159 PolarHBondContact OD1-N 3.03Å; N156-K159 VanDerWaalsContact OD1-N 3.16Å; N156-T160 PolarHBondContact O-N 2.84Å; N156-T160 PolarHBondContact O-OG1 2.84Å; N156-T160 VanDerWaalsContact O-OG1 3.1Å
157L97.1Very high96.5Very high11 Ų1150 Ų506%0.05826%0.256CS..Hα-helixtrans-58.3-42.2-180-72.6177.9000112.8I99 D101 I125 P127 V154 K159 T160 I161 V206I99-L157 HydrophobicContact CG2-CD1 4.39Å; I99-L157 HydrophobicContact CG2-CD2 3.71Å; D101-L157 HydrophobicContact CB-CD1 3.94Å; D101-L157 WeakPolarHBondContact OD1-CD1 3.38Å; I125-L157 HydrophobicContact CG2-CD2 3.98Å; P127-L157 HydrophobicContact CB-CD1 4.14Å; P127-L157 HydrophobicContact CB-CG 4.11Å; P127-L157 HydrophobicContact CG-CD1 4.02Å; P127-L157 HydrophobicContact CG-CG 4.49Å; V154-L157 HydrophobicContact CG2-CD2 3.61Å; V154-L157 HydrophobicContact CG2-CG 4.38Å; L157-K159 VanDerWaalsContact C-N 3.32Å; L157-K159 PolarHBondContact O-N 2.94Å; L157-T160 CarbonylContact O-C 3.57Å; L157-T160 WeakPolarHBondContact O-CB 3.43Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 VanDerWaalsContact O-N 3.16Å; L157-I161 WeakPolarHBondContact O-CG1 3.49Å; L157-I161 PolarHBondContact O-N 2.83Å; L157-V206 HydrophobicContact CB-CG2 3.66Å; L157-V206 HydrophobicContact CD1-CG2 4.06Å
158A97.1Very high96.6Very high11 Ų1146.4 Ų46.49%0.09125%0.252CS..Hα-helixtrans-62.2-40-179.100000112.1N156 I161 D162 L205 K209N156-A158 VanDerWaalsContact C-N 3.34Å; N156-A158 PolarHBondContact O-N 3.05Å; N156-A158 PolarHBondContact OD1-N 3.16Å; N156-A158 VanDerWaalsContact OD1-N 3.09Å; A158-I161 PolarHBondContact O-N 2.94Å; A158-D162 PolarHBondContact O-N 3.4Å; A158-L205 HydrophobicContact CB-CB 4.33Å; A158-K209 HydrophobicContact CB-CG 4.08Å
159K97.5Very high96.8Very high120 Ų12040.4 Ų40.452%0.52222%0.224SC..Hα-helixtrans-68.6-41.1174.1-170.2-177.7-174.7-102.60111.7N156 L157 I161 D162 E163N156-K159 HydrophobicContact CB-CB 4.1Å; N156-K159 PolarHBondContact O-N 2.82Å; N156-K159 PolarHBondContact OD1-N 3.03Å; N156-K159 VanDerWaalsContact OD1-N 3.16Å; L157-K159 VanDerWaalsContact C-N 3.32Å; L157-K159 PolarHBondContact O-N 2.94Å; K159-I161 VanDerWaalsContact C-N 3.26Å; K159-I161 PolarHBondContact O-N 2.76Å; K159-D162 WeakPolarHBondContact O-CB 3.39Å; K159-D162 PolarHBondContact O-N 3.45Å; K159-E163 WeakPolarHBondContact CE-OE1 3.19Å; K159-E163 IonicContact NZ-OE1 3.77Å; K159-E163 PolarHBondContact NZ-OE1 2.7Å; K159-E163 WeakPolarHBondContact O-CG 3.46Å; K159-E163 PolarHBondContact O-N 3.32Å
160T98.5Very high96.8Very high8 Ų846.4 Ų46.45%0.04925%0.246CC..Hα-helixtrans-62.1-34.9176-62.90000111.9F81 I125 V154 N156 L157 E163 L164F81-T160 HydrophobicContact CD2-CG2 4.08Å; F81-T160 HydrophobicContact CE1-CG2 4.2Å; F81-T160 HydrophobicContact CE2-CG2 3.57Å; F81-T160 HydrophobicContact CZ-CG2 3.63Å; I125-T160 HydrophobicContact CD1-CG2 4.2Å; I125-T160 HydrophobicContact CG2-CG2 4.2Å; V154-T160 HydrophobicContact CB-CG2 4.47Å; V154-T160 WeakPolarHBondContact CB-OG1 3.03Å; V154-T160 HydrophobicContact CG1-CG2 3.96Å; V154-T160 HydrophobicContact CG2-CG2 4.25Å; V154-T160 WeakPolarHBondContact CG2-OG1 3.28Å; N156-T160 PolarHBondContact O-N 2.84Å; N156-T160 PolarHBondContact O-OG1 2.84Å; N156-T160 VanDerWaalsContact O-OG1 3.1Å; L157-T160 CarbonylContact O-C 3.57Å; L157-T160 WeakPolarHBondContact O-CB 3.43Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-T160 VanDerWaalsContact O-N 3.16Å; T160-E163 PolarHBondContact O-N 3.11Å; T160-L164 HydrophobicContact CG2-CD1 4.4Å; T160-L164 WeakPolarHBondContact O-CG 3.38Å; T160-L164 PolarHBondContact O-N 3.01Å
161I98.7Very high96.9Very high0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-64.6-45.6173.3-74164.5000111.1I99 L157 A158 K159 E163 L164 K165 V171 V194 V206 K209I99-I161 HydrophobicContact CD1-CD1 4.23Å; I99-I161 HydrophobicContact CD1-CG1 3.63Å; L157-I161 WeakPolarHBondContact O-CG1 3.49Å; L157-I161 PolarHBondContact O-N 2.83Å; A158-I161 PolarHBondContact O-N 2.94Å; K159-I161 VanDerWaalsContact C-N 3.26Å; K159-I161 PolarHBondContact O-N 2.76Å; I161-E163 VanDerWaalsContact C-N 3.29Å; I161-E163 PolarHBondContact O-N 3.4Å; I161-L164 WeakPolarHBondContact O-CB 3.48Å; I161-L164 PolarHBondContact O-N 3.21Å; I161-K165 WeakPolarHBondContact O-CG 3.35Å; I161-K165 PolarHBondContact O-N 2.63Å; I161-V171 HydrophobicContact CG1-CG1 4.49Å; I161-V171 HydrophobicContact CG2-CB 4.37Å; I161-V171 HydrophobicContact CG2-CG1 4.17Å; I161-V171 HydrophobicContact CG2-CG2 3.93Å; I161-V194 HydrophobicContact CD1-CG2 4.46Å; I161-V206 HydrophobicContact CD1-CB 4.43Å; I161-V206 HydrophobicContact CD1-CG1 3.79Å; I161-V206 HydrophobicContact CD1-CG2 4.46Å; I161-K209 HydrophobicContact CB-CB 4.22Å; I161-K209 HydrophobicContact CD1-CB 4.24Å; I161-K209 HydrophobicContact CG2-CB 3.61Å
162D98.6Very high96.9Very high55 Ų5544.1 Ų44.129%0.29423%0.231SC..Hα-helixtrans-57.3-45.6174.8-67.3-35.1000110.9A158 K159 L164 K165 D166 K209A158-D162 PolarHBondContact O-N 3.4Å; K159-D162 WeakPolarHBondContact O-CB 3.39Å; K159-D162 PolarHBondContact O-N 3.45Å; D162-L164 PolarHBondContact O-N 3.21Å; D162-K165 WeakPolarHBondContact O-CB 3.19Å; D162-K165 PolarHBondContact O-N 3.24Å; D162-D166 PolarHBondContact O-N 2.91Å; D162-K209 WeakPolarHBondContact OD1-CD 3.11Å; D162-K209 WeakPolarHBondContact OD1-CE 3.28Å; D162-K209 IonicContact OD1-NZ 3.31Å; D162-K209 PolarHBondContact OD1-NZ 3.1Å; D162-K209 WeakPolarHBondContact OD2-CE 3.39Å; D162-K209 IonicContact OD2-NZ 2.65Å; D162-K209 PolarHBondContact OD2-NZ 2.88Å
163E98.3Very high96.9Very high45 Ų4544 Ų4421%0.2123%0.231CC..Hα-helixtrans-64.8-36.6178.1-70170.4-161.300112.4F81 K159 T160 I161 D166 N167F81-E163 HydrophobicContact CE1-CB 3.94Å; F81-E163 WeakPolarHBondContact CE1-OE2 3.34Å; F81-E163 HydrophobicContact CZ-CB 4.24Å; K159-E163 WeakPolarHBondContact CE-OE1 3.19Å; K159-E163 IonicContact NZ-OE1 3.77Å; K159-E163 PolarHBondContact NZ-OE1 2.7Å; K159-E163 WeakPolarHBondContact O-CG 3.46Å; K159-E163 PolarHBondContact O-N 3.32Å; T160-E163 PolarHBondContact O-N 3.11Å; I161-E163 VanDerWaalsContact C-N 3.29Å; I161-E163 PolarHBondContact O-N 3.4Å; E163-D166 PolarHBondContact O-N 3.29Å; E163-N167 PolarHBondContact O-N 3.39Å; E163-N167 PolarHBondContact O-ND2 3.48Å
164L98.5Very high97Very high0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-61.9-44172.4-79.5166.6000111.6F81 L85 V97 I99 I125 T160 I161 D162 N167 G168 F169 A192F81-L164 HydrophobicContact CE2-CD2 4.13Å; F81-L164 HydrophobicContact CE2-CG 4.18Å; F81-L164 HydrophobicContact CZ-CD2 4.28Å; F81-L164 HydrophobicContact CZ-CG 4.06Å; L85-L164 HydrophobicContact CD2-CD2 4.04Å; V97-L164 HydrophobicContact CG2-CD1 4.28Å; V97-L164 HydrophobicContact CG2-CD2 4.23Å; I99-L164 HydrophobicContact CD1-CD1 3.73Å; I99-L164 HydrophobicContact CG1-CD1 4.47Å; I125-L164 HydrophobicContact CD1-CD1 3.79Å; T160-L164 HydrophobicContact CG2-CD1 4.4Å; T160-L164 WeakPolarHBondContact O-CG 3.38Å; T160-L164 PolarHBondContact O-N 3.01Å; I161-L164 WeakPolarHBondContact O-CB 3.48Å; I161-L164 PolarHBondContact O-N 3.21Å; D162-L164 PolarHBondContact O-N 3.21Å; L164-N167 CarbonylContact O-C 3.31Å; L164-N167 VanDerWaalsContact O-C 3.31Å; L164-N167 WeakPolarHBondContact O-CA 3.47Å; L164-N167 PolarHBondContact O-N 3.11Å; L164-G168 PolarHBondContact O-N 2.99Å; L164-F169 HydrophobicContact CB-CB 4.06Å; L164-F169 HydrophobicContact CB-CD2 4.31Å; L164-F169 HydrophobicContact CB-CG 4.32Å; L164-F169 HydrophobicContact CD2-CD1 4.4Å; L164-F169 HydrophobicContact CD2-CD2 3.68Å; L164-F169 HydrophobicContact CD2-CE2 3.83Å; L164-F169 HydrophobicContact CD2-CG 3.98Å; L164-F169 HydrophobicContact CD2-CZ 4.24Å; L164-F169 WeakPolarHBondContact O-CB 3.49Å; L164-F169 WeakPolarHBondContact O-CD2 3.31Å; L164-F169 PolarHBondContact O-N 2.87Å; L164-F169 VanDerWaalsContact O-N 3.12Å; L164-A192 HydrophobicContact CD1-CB 4.13Å
165K98.3Very high96.7Very high58 Ų5846.9 Ų46.925%0.25225%0.246SC..Hα-helixtrans-63.1-42.5177.7-68.5-177.6-177.5-160.10112.6I161 D162 N167 G168 F169 V171 K209 D211I161-K165 WeakPolarHBondContact O-CG 3.35Å; I161-K165 PolarHBondContact O-N 2.63Å; D162-K165 WeakPolarHBondContact O-CB 3.19Å; D162-K165 PolarHBondContact O-N 3.24Å; K165-N167 PolarHBondContact O-N 3.29Å; K165-N167 VanDerWaalsContact O-N 3.08Å; K165-G168 PolarHBondContact O-N 3.48Å; K165-F169 WeakPolarHBondContact CA-O 3.48Å; K165-V171 HydrophobicContact CD-CG2 4.5Å; K165-V171 HydrophobicContact CG-CG2 3.9Å; K165-K209 WeakPolarHBondContact CE-O 3.49Å; K165-K209 PolarHBondContact NZ-O 3.13Å; K165-D211 WeakPolarHBondContact CE-OD1 3.38Å; K165-D211 WeakPolarHBondContact CE-OD2 3.48Å; K165-D211 IonicContact NZ-OD1 3.99Å; K165-D211 PolarHBondContact NZ-OD1 3.42Å; K165-D211 IonicContact NZ-OD2 3.69Å; K165-D211 PolarHBondContact NZ-OD2 2.91Å
166D97.2Very high96.3Very high138 Ų13843.9 Ų43.974%0.73823%0.233SC*.Hα-helixtrans-60.1-19.7173.7-69.9-18.6000112.4D162 E163D162-D166 PolarHBondContact O-N 2.91Å; E163-D166 PolarHBondContact O-N 3.29Å
167N95.7Very high95.6Very high52 Ų5245.4 Ų45.428%0.27824%0.241SC..THydrogen-bonded Turntrans-103.818.2175.3-70.6-84.3000113.5L85 K89 E163 L164 K165L85-N167 HydrophobicContact CD2-CB 4.35Å; K89-N167 WeakPolarHBondContact CE-OD1 3.36Å; K89-N167 PolarHBondContact NZ-OD1 3.4Å; E163-N167 PolarHBondContact O-N 3.39Å; E163-N167 PolarHBondContact O-ND2 3.48Å; L164-N167 CarbonylContact O-C 3.31Å; L164-N167 VanDerWaalsContact O-C 3.31Å; L164-N167 WeakPolarHBondContact O-CA 3.47Å; L164-N167 PolarHBondContact O-N 3.11Å; K165-N167 PolarHBondContact O-N 3.29Å; K165-N167 VanDerWaalsContact O-N 3.08Å
168G95.4Very high94.8Very high48 Ų4853 Ų5350%0.49528%0.281SS..THydrogen-bonded Turntrans87.210.1169.100000115.6L164 K165L164-G168 PolarHBondContact O-N 2.99Å; K165-G168 PolarHBondContact O-N 3.48Å
169F98.2Very high94.5Very high9 Ų953.1 Ų53.14%0.03928%0.283CS..  trans-81.9135.7172.3-71.1-98.5000111.1L85 L95 V97 L164 K165 S190 A192L85-F169 HydrophobicContact CD2-CE2 4.29Å; L95-F169 HydrophobicContact CB-CE1 3.63Å; L95-F169 HydrophobicContact CB-CZ 3.69Å; L95-F169 HydrophobicContact CD1-CE1 4.37Å; L95-F169 HydrophobicContact CD1-CE2 4.19Å; L95-F169 HydrophobicContact CD1-CZ 3.58Å; L95-F169 HydrophobicContact CG-CZ 4.3Å; V97-F169 HydrophobicContact CG1-CE1 3.97Å; V97-F169 HydrophobicContact CG1-CZ 4.27Å; V97-F169 HydrophobicContact CG2-CD1 4.06Å; V97-F169 HydrophobicContact CG2-CE1 3.91Å; L164-F169 HydrophobicContact CB-CB 4.06Å; L164-F169 HydrophobicContact CB-CD2 4.31Å; L164-F169 HydrophobicContact CB-CG 4.32Å; L164-F169 HydrophobicContact CD2-CD1 4.4Å; L164-F169 HydrophobicContact CD2-CD2 3.68Å; L164-F169 HydrophobicContact CD2-CE2 3.83Å; L164-F169 HydrophobicContact CD2-CG 3.98Å; L164-F169 HydrophobicContact CD2-CZ 4.24Å; L164-F169 WeakPolarHBondContact O-CB 3.49Å; L164-F169 WeakPolarHBondContact O-CD2 3.31Å; L164-F169 PolarHBondContact O-N 2.87Å; L164-F169 VanDerWaalsContact O-N 3.12Å; K165-F169 WeakPolarHBondContact CA-O 3.48Å; F169-S190 WeakPolarHBondContact CA-O 3.43Å; F169-A192 HydrophobicContact CD1-CB 4.45Å
170W98.4Very high94.4Very high133 Ų13350.9 Ų50.950%0.50428%0.279SS..EExtended strand (participates in β ladder)trans-90.6139.6162.6-75.177.1000109.9M189 S190 L191 A192 D211 F212W170-M189 HydrophobicContact CB-CG 4.06Å; W170-M189 HydrophobicContact CG-CG 3.94Å; W170-S190 PolarHBondContact N-O 3.27Å; W170-L191 HydrophobicContact CB-CD2 4.06Å; W170-L191 CarbonylContact O-C 3.57Å; W170-L191 WeakPolarHBondContact O-CA 3.49Å; W170-A192 PolarHBondContact O-N 2.93Å; W170-D211 HydrophobicContact CE3-CB 3.83Å; W170-D211 HydrophobicContact CZ3-CB 4.24Å; W170-F212 HydrophobicContact CB-CE1 4.23Å; W170-F212 HydrophobicContact CE3-CD1 4.33Å; W170-F212 HydrophobicContact CE3-CE1 4.2Å
171V98.7Very high94.3Very high0 Ų051.9 Ų51.90%028%0.284CS..EExtended strand (participates in β ladder)trans-111.9111-171.5-172.20000111.4I161 K165 A192 V194 D211 F212I161-V171 HydrophobicContact CG1-CG1 4.49Å; I161-V171 HydrophobicContact CG2-CB 4.37Å; I161-V171 HydrophobicContact CG2-CG1 4.17Å; I161-V171 HydrophobicContact CG2-CG2 3.93Å; K165-V171 HydrophobicContact CD-CG2 4.5Å; K165-V171 HydrophobicContact CG-CG2 3.9Å; V171-A192 CarbonylContact C-O 3.53Å; V171-A192 VanDerWaalsContact CA-O 3.32Å; V171-A192 WeakPolarHBondContact CA-O 3.46Å; V171-A192 HydrophobicContact CG1-CB 4.37Å; V171-A192 HydrophobicContact CG2-CB 4.01Å; V171-V194 HydrophobicContact CG1-CG2 3.7Å; V171-D211 PolarHBondContact N-OD2 2.96Å; V171-D211 PolarHBondContact O-N 3.03Å; V171-F212 PolarHBondContact O-N 3.48Å
172A98Very high94.1Very high0 Ų053.7 Ų53.70%029%0.291CS..EExtended strand (participates in β ladder)trans-96.6117.6177.700000110.5A192 I193 V194 F212 I214A172-A192 PolarHBondContact N-O 2.91Å; A172-I193 HydrophobicContact CB-CG1 4.43Å; A172-I193 WeakPolarHBondContact O-CA 3.07Å; A172-V194 PolarHBondContact O-N 3.07Å; A172-F212 WeakPolarHBondContact CA-O 3.42Å; A172-F212 HydrophobicContact CB-CD2 4.06Å; A172-F212 HydrophobicContact CB-CE2 3.36Å; A172-F212 HydrophobicContact CB-CZ 3.65Å; A172-I214 HydrophobicContact CB-CD1 4.08Å; A172-I214 HydrophobicContact CB-CG1 4.5Å
173G96.9Very high94Very high0 Ų057.1 Ų57.10%030%0.3CS..EExtended strand (participates in β ladder)trans-87.9133.217300000112.1C210 F212 Y213 I214G173-C210 VanDerWaalsContact CA-SG 3.54Å; G173-F212 PolarHBondContact N-O 2.81Å; G173-Y213 CarbonylContact O-C 3.55Å; G173-Y213 VanDerWaalsContact O-CA 3.27Å; G173-Y213 WeakPolarHBondContact O-CA 3.28Å; G173-I214 PolarHBondContact O-N 3.36Å
174T94.8Very high93.9Very high27 Ų2760.4 Ų60.417%0.16632%0.319CS..EExtended strand (participates in β ladder)trans-79.8125.1169.260.70000111I193 V194 I195 M202 I214 M234T174-I193 HydrophobicContact CG2-CG2 4.37Å; T174-V194 WeakPolarHBondContact CG2-O 3.32Å; T174-V194 PolarHBondContact N-O 2.79Å; T174-V194 PolarHBondContact OG1-O 2.91Å; T174-I195 HydrophobicContact CG2-CD1 3.6Å; T174-M202 VanDerWaalsContact O-CE 3.28Å; T174-M202 WeakPolarHBondContact O-CE 3.23Å; T174-I214 WeakPolarHBondContact CA-O 3.35Å; T174-I214 HydrophobicContact CG2-CG1 4.42Å; T174-M234 HydrophobicContact CG2-CG 4.03Å; T174-M234 HydrophobicContact CG2-SD 4.41Å
175E89.6Confident93.7Very high75 Ų7560.6 Ų60.635%0.3532%0.32SS..  trans-134.8146.6-179.9175.956-107.200109.8N177 A179 Y213 I214 K215E175-N177 WeakPolarHBondContact CG-O 3.45Å; E175-N177 PolarHBondContact OE1-N 3.24Å; E175-A179 HydrophobicContact CB-CB 4.12Å; E175-A179 HydrophobicContact CG-CB 4.47Å; E175-Y213 HydrophobicContact CB-CD1 4.08Å; E175-I214 PolarHBondContact N-O 3.46Å; E175-K215 WeakPolarHBondContact O-CA 3.44Å; E175-K215 WeakPolarHBondContact O-CB 3.35Å
176A83.4Confident93.5Very high48 Ų4864.3 Ų64.340%0.39734%0.339SS..SBendtrans-79-33.5179.600000111.9
177N79.5Confident93.4Very high115 Ų11558 Ų5862%0.61531%0.305SS*.SBendtrans-122150-170.8-61.8-59.9000113.1E175 A179E175-N177 WeakPolarHBondContact CG-O 3.45Å; E175-N177 PolarHBondContact OE1-N 3.24Å; N177-A179 PolarHBondContact O-N 3.03Å; N177-A179 VanDerWaalsContact O-N 3.11Å
178N80.5Confident93.4Very high170 Ų17061.1 Ų61.191%0.90932%0.322SS*.SBendtrans50.837.7172.3-64.8-11.5000115.7
179A91Very high93.4Very high14 Ų1460.6 Ų60.612%0.11631%0.307CS..  trans-123.4163.4177.400000111.7E175 N177 K215E175-A179 HydrophobicContact CB-CB 4.12Å; E175-A179 HydrophobicContact CG-CB 4.47Å; N177-A179 PolarHBondContact O-N 3.03Å; N177-A179 VanDerWaalsContact O-N 3.11Å; A179-K215 HydrophobicContact CB-CB 4Å; A179-K215 HydrophobicContact CB-CD 4.45Å; A179-K215 HydrophobicContact CB-CG 4.29Å; A179-K215 VanDerWaalsContact O-CD 3.31Å; A179-K215 WeakPolarHBondContact O-CD 3.38Å; A179-K215 WeakPolarHBondContact O-CE 3.49Å
180T94.4Very high93.4Very high74 Ų7461.2 Ų61.245%0.45431%0.313SS..EExtended strand (participates in β ladder)trans-67.9141.8178.3-600000109.8Y182 N184 Y213 I214 K215T180-Y182 PolarHBondContact O-N 2.91Å; T180-N184 HydrophobicContact CG2-CB 3.88Å; T180-Y213 PolarHBondContact N-O 3.45Å; T180-I214 CarbonylContact O-C 3.55Å; T180-I214 VanDerWaalsContact O-CA 3.23Å; T180-I214 WeakPolarHBondContact O-CA 3.37Å; T180-K215 PolarHBondContact O-N 2.98Å
181D95.8Very high93.4Very high28 Ų2854.9 Ų54.915%0.1529%0.289CS..EExtended strand (participates in β ladder)trans-57.5128.3172.1-166.8-53000110.2R183 N184 P217D181-R183 PolarHBondContact O-N 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.49Å; D181-R183 WeakPolarHBondContact OD1-CG 3.23Å; D181-R183 IonicContact OD1-CZ 2.7Å; D181-R183 PolarHBondContact OD1-N 3.44Å; D181-R183 IonicContact OD1-NE 2.7Å; D181-R183 PolarHBondContact OD1-NE 2.93Å; D181-R183 IonicContact OD1-NH2 3.31Å; D181-R183 IonicContact OD2-CZ 3.64Å; D181-R183 IonicContact OD2-NE 2.67Å; D181-R183 PolarHBondContact OD2-NE 2.89Å; D181-R183 IonicContact OD2-NH2 2.63Å; D181-R183 PolarHBondContact OD2-NH2 2.92Å; D181-N184 WeakPolarHBondContact O-CB 3.29Å; D181-N184 PolarHBondContact O-N 3.15Å; D181-P217 WeakPolarHBondContact OD2-CG 3.39Å
182Y96Very high93.4Very high38 Ų3854.9 Ų54.915%0.14929%0.289CS..G310 helixtrans-56.9-25.3-176.981.8-72.3000113.5T180 N184 L185 K215 I216 M234 E237T180-Y182 PolarHBondContact O-N 2.91Å; Y182-N184 PolarHBondContact O-N 3.08Å; Y182-L185 WeakPolarHBondContact O-CB 3.45Å; Y182-L185 PolarHBondContact O-N 3.23Å; Y182-K215 WeakPolarHBondContact CB-O 3.35Å; Y182-K215 PolarHBondContact N-O 3.31Å; Y182-I216 HydrophobicContact CD1-CG1 4.31Å; Y182-I216 HydrophobicContact CE1-CG2 4.41Å; Y182-M234 HydrophobicContact CD2-CE 3.86Å; Y182-M234 HydrophobicContact CD2-SD 4.31Å; Y182-M234 HydrophobicContact CG-CE 3.74Å; Y182-M234 HydrophobicContact CG-SD 4.39Å; Y182-E237 HydrophobicContact CD2-CB 3.8Å; Y182-E237 HydrophobicContact CD2-CG 3.83Å; Y182-E237 HydrophobicContact CE2-CB 3.91Å; Y182-E237 HydrophobicContact CE2-CG 4.06Å
183R95.5Very high93.4Very high127 Ų12754.9 Ų54.948%0.47929%0.289SS..G310 helixtrans-67.8-18.4176.4-59.9171.8-68.9175.12.3113.4D181 E237 K241D181-R183 PolarHBondContact O-N 3.3Å; D181-R183 WeakPolarHBondContact OD1-CB 3.49Å; D181-R183 WeakPolarHBondContact OD1-CG 3.23Å; D181-R183 IonicContact OD1-CZ 2.7Å; D181-R183 PolarHBondContact OD1-N 3.44Å; D181-R183 IonicContact OD1-NE 2.7Å; D181-R183 PolarHBondContact OD1-NE 2.93Å; D181-R183 IonicContact OD1-NH2 3.31Å; D181-R183 IonicContact OD2-CZ 3.64Å; D181-R183 IonicContact OD2-NE 2.67Å; D181-R183 PolarHBondContact OD2-NE 2.89Å; D181-R183 IonicContact OD2-NH2 2.63Å; D181-R183 PolarHBondContact OD2-NH2 2.92Å; R183-E237 WeakPolarHBondContact CA-OE1 3.44Å; R183-K241 WeakPolarHBondContact O-CE 3.33Å; R183-K241 PolarHBondContact O-NZ 3.31Å
184N95.7Very high93.5Very high114 Ų11454.9 Ų54.961%0.6129%0.289SS*.G310 helixtrans-95.48.4174.5-62.4-23.6000112.1T180 D181 Y182 E186T180-N184 HydrophobicContact CG2-CB 3.88Å; D181-N184 WeakPolarHBondContact O-CB 3.29Å; D181-N184 PolarHBondContact O-N 3.15Å; Y182-N184 PolarHBondContact O-N 3.08Å; N184-E186 PolarHBondContact O-N 3.34Å
185L94.2Very high93.6Very high5 Ų553.8 Ų53.83%0.02628%0.282CS..  trans-59.1126.7171.2176.565.2000109.8Y182 L191 I193 F212 I214 V238Y182-L185 WeakPolarHBondContact O-CB 3.45Å; Y182-L185 PolarHBondContact O-N 3.23Å; L185-L191 HydrophobicContact CD1-CD1 4.39Å; L185-L191 HydrophobicContact CD2-CD1 4.29Å; L185-L191 HydrophobicContact CG-CD1 4.47Å; L185-I193 HydrophobicContact CD2-CD1 4.5Å; L185-F212 HydrophobicContact CD1-CE2 3.5Å; L185-F212 HydrophobicContact CD1-CZ 3.79Å; L185-I214 HydrophobicContact CD1-CD1 4.5Å; L185-I214 HydrophobicContact CD1-CG2 4.24Å; L185-I214 HydrophobicContact CD2-CD1 4.28Å; L185-V238 HydrophobicContact CD2-CG2 3.77Å
186E94.2Very high93.7Very high136 Ų13650.7 Ų50.764%0.63627%0.27SS*.  trans-80130.3164.5-65.5179.417400108.1N184 M189N184-E186 PolarHBondContact O-N 3.34Å; E186-M189 HydrophobicContact CB-CE 3.97Å; E186-M189 HydrophobicContact CB-SD 4.33Å; E186-M189 VanDerWaalsContact O-SD 3.35Å
187A95.8Very high93.9Very high5 Ų549.3 Ų49.34%0.04126%0.258CS..  trans-131.219.1-174.900000112.6M189 L191 V238 K241 R242A187-M189 PolarHBondContact O-N 2.98Å; A187-L191 HydrophobicContact CB-CD1 3.95Å; A187-V238 HydrophobicContact CB-CG1 4.3Å; A187-V238 HydrophobicContact CB-CG2 4.49Å; A187-K241 HydrophobicContact CB-CB 3.71Å; A187-K241 HydrophobicContact CB-CG 4.31Å; A187-R242 PolarHBondContact O-NE 2.88Å
188D94.9Very high93.8Very high117 Ų11748.5 Ų48.563%0.62625%0.25SC*.SBendtrans-83.89.9174.463.4-23.1000112.9L94L94-D188 WeakPolarHBondContact CD1-O 3.46Å
189M95.6Very high93.6Very high37 Ų3744 Ų4418%0.18224%0.244CC..SBendtrans-126.5166.7170.969.5-72.7-72.400111.9W170 E186 A187 L191 R242W170-M189 HydrophobicContact CB-CG 4.06Å; W170-M189 HydrophobicContact CG-CG 3.94Å; E186-M189 HydrophobicContact CB-CE 3.97Å; E186-M189 HydrophobicContact CB-SD 4.33Å; E186-M189 VanDerWaalsContact O-SD 3.35Å; A187-M189 PolarHBondContact O-N 2.98Å; M189-L191 HydrophobicContact CG-CD2 4.07Å; M189-L191 HydrophobicContact CG-CG 4.34Å; M189-L191 HydrophobicContact SD-CD2 4.02Å; M189-L191 HydrophobicContact SD-CG 4.37Å; M189-R242 PolarHBondContact O-NH2 3.33Å
190S97.8Very high93.2Very high22 Ų2251.8 Ų51.815%0.15428%0.278CS..  trans-66.3130.7169.5-68.60000110.5L95 F169 W170L95-S190 PolarHBondContact N-OG 2.94Å; L95-S190 CarbonylContact O-C 3.59Å; L95-S190 VanDerWaalsContact O-CA 3.28Å; L95-S190 WeakPolarHBondContact O-CA 3.48Å; F169-S190 WeakPolarHBondContact CA-O 3.43Å; W170-S190 PolarHBondContact N-O 3.27Å
191L98.5Very high92.9Very high0 Ų049.8 Ų49.80%027%0.272CS..EExtended strand (participates in β ladder)trans-123.9136.9-170.5-74.6172.9000112.4L95 T96 V97 W170 L185 A187 M189 F212 V238L95-L191 PolarHBondContact O-N 3.06Å; T96-L191 CarbonylContact C-O 3.46Å; T96-L191 VanDerWaalsContact CA-O 3.31Å; T96-L191 WeakPolarHBondContact CA-O 3.35Å; V97-L191 PolarHBondContact N-O 2.96Å; W170-L191 HydrophobicContact CB-CD2 4.06Å; W170-L191 CarbonylContact O-C 3.57Å; W170-L191 WeakPolarHBondContact O-CA 3.49Å; L185-L191 HydrophobicContact CD1-CD1 4.39Å; L185-L191 HydrophobicContact CD2-CD1 4.29Å; L185-L191 HydrophobicContact CG-CD1 4.47Å; A187-L191 HydrophobicContact CB-CD1 3.95Å; M189-L191 HydrophobicContact CG-CD2 4.07Å; M189-L191 HydrophobicContact CG-CG 4.34Å; M189-L191 HydrophobicContact SD-CD2 4.02Å; M189-L191 HydrophobicContact SD-CG 4.37Å; L191-F212 HydrophobicContact CD2-CZ 4.08Å; L191-V238 HydrophobicContact CD1-CG2 3.93Å
192A98.7Very high92.7Very high0 Ų049.6 Ų49.60%027%0.271CS..EExtended strand (participates in β ladder)trans-109.1120160.600000108.8V97 I99 L164 F169 W170 V171 A172V97-A192 HydrophobicContact CG2-CB 3.47Å; V97-A192 VanDerWaalsContact CG2-CB 3.47Å; V97-A192 CarbonylContact O-C 3.59Å; V97-A192 VanDerWaalsContact O-CA 3.31Å; V97-A192 WeakPolarHBondContact O-CA 3.33Å; I99-A192 HydrophobicContact CD1-CB 3.99Å; I99-A192 HydrophobicContact CG1-CB 4.49Å; L164-A192 HydrophobicContact CD1-CB 4.13Å; F169-A192 HydrophobicContact CD1-CB 4.45Å; W170-A192 PolarHBondContact O-N 2.93Å; V171-A192 CarbonylContact C-O 3.53Å; V171-A192 VanDerWaalsContact CA-O 3.32Å; V171-A192 WeakPolarHBondContact CA-O 3.46Å; V171-A192 HydrophobicContact CG1-CB 4.37Å; V171-A192 HydrophobicContact CG2-CB 4.01Å; A172-A192 PolarHBondContact N-O 2.91Å
193I98.6Very high92.6Very high0 Ų050.2 Ų50.20%028%0.281CS..EExtended strand (participates in β ladder)trans-105.9120.7179.9-56.8178.8000109V97 L98 I99 A172 T174 L185 I195 M234 V238V97-I193 PolarHBondContact O-N 2.88Å; L98-I193 CarbonylContact C-O 3.55Å; L98-I193 WeakPolarHBondContact CA-O 3.14Å; L98-I193 HydrophobicContact CD2-CB 3.82Å; L98-I193 HydrophobicContact CD2-CG2 4.34Å; I99-I193 PolarHBondContact N-O 2.94Å; A172-I193 HydrophobicContact CB-CG1 4.43Å; A172-I193 WeakPolarHBondContact O-CA 3.07Å; T174-I193 HydrophobicContact CG2-CG2 4.37Å; L185-I193 HydrophobicContact CD2-CD1 4.5Å; I193-I195 HydrophobicContact CG2-CD1 3.94Å; I193-M234 HydrophobicContact CD1-CB 4.13Å; I193-M234 HydrophobicContact CG2-CB 4.05Å; I193-M234 HydrophobicContact CG2-CG 4.11Å; I193-V238 HydrophobicContact CD1-CG2 3.59Å
194V98.5Very high92.5Very high0 Ų053.5 Ų53.50%029%0.293CS..EExtended strand (participates in β ladder)trans-92.2122179.4-169.70000109.8I99 D101 I161 V171 A172 T174 M202 V206I99-V194 HydrophobicContact CB-CB 4.44Å; I99-V194 HydrophobicContact CB-CG1 4.36Å; I99-V194 HydrophobicContact CB-CG2 4.13Å; I99-V194 HydrophobicContact CD1-CG2 4.18Å; I99-V194 HydrophobicContact CG2-CG1 4.33Å; I99-V194 CarbonylContact O-C 3.56Å; I99-V194 VanDerWaalsContact O-CA 3.32Å; I99-V194 WeakPolarHBondContact O-CA 3.48Å; D101-V194 HydrophobicContact CB-CG1 4.44Å; I161-V194 HydrophobicContact CD1-CG2 4.46Å; V171-V194 HydrophobicContact CG1-CG2 3.7Å; A172-V194 PolarHBondContact O-N 3.07Å; T174-V194 WeakPolarHBondContact CG2-O 3.32Å; T174-V194 PolarHBondContact N-O 2.79Å; T174-V194 PolarHBondContact OG1-O 2.91Å; V194-M202 HydrophobicContact CB-SD 3.63Å; V194-M202 HydrophobicContact CG1-CG 3.9Å; V194-M202 HydrophobicContact CG1-SD 3.43Å; V194-M202 WeakPolarHBondContact CG1-SD 3.31Å; V194-V206 HydrophobicContact CG1-CG1 3.53Å; V194-V206 HydrophobicContact CG2-CG1 4.33Å
195I97Very high92.5Very high5 Ų554 Ų543%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-105.9117.7172.9-50.3-59.3000108.4I99 L100 D101 T174 I193 A227 A231 M234I99-I195 PolarHBondContact O-N 3.02Å; L100-I195 HydrophobicContact CD2-CB 3.89Å; L100-I195 HydrophobicContact CD2-CG1 4.04Å; D101-I195 PolarHBondContact N-O 2.9Å; T174-I195 HydrophobicContact CG2-CD1 3.6Å; I193-I195 HydrophobicContact CG2-CD1 3.94Å; I195-A227 HydrophobicContact CG2-CB 4.26Å; I195-A231 HydrophobicContact CD1-CB 4.18Å; I195-A231 HydrophobicContact CG1-CB 3.91Å; I195-A231 HydrophobicContact CG2-CB 4.49Å; I195-M234 HydrophobicContact CD1-CG 4.19Å
196G93Very high92.6Very high10 Ų1053.9 Ų53.910%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-75.4165.3176.400000113.6D101D101-G196 CarbonylContact O-C 3.59Å
197S87.1Confident92.7Very high19 Ų1948.3 Ų48.313%0.13327%0.271CS..BIsolated β-bridgetrans-68.7153.1174.565.20000112.1D101 G102 G199 Q200 G201D101-S197 WeakPolarHBondContact O-CB 3.45Å; D101-S197 PolarHBondContact O-N 2.85Å; G102-S197 WeakPolarHBondContact O-CB 3.31Å; S197-G199 PolarHBondContact O-N 3.43Å; S197-Q200 WeakPolarHBondContact OG-CB 3.14Å; S197-G201 PolarHBondContact N-O 2.8Å; S197-G201 WeakPolarHBondContact O-CA 3.49Å; S197-G201 PolarHBondContact O-N 3.45Å; S197-G201 PolarHBondContact OG-O 3Å
198E78.3Confident92.8Very high97 Ų9752.8 Ų52.845%0.45329%0.294SS..THydrogen-bonded Turntrans-62.7130.9174.8-63.4-178.7-179.100110.6N108 Q200 N226 A227N108-E198 PolarHBondContact ND2-OE1 3.21Å; E198-Q200 VanDerWaalsContact C-N 3.26Å; E198-Q200 PolarHBondContact O-N 3.19Å; E198-N226 VanDerWaalsContact OE1-CG 3.28Å; E198-N226 PolarHBondContact OE1-ND2 3.06Å; E198-A227 HydrophobicContact CG-CB 4.02Å; E198-A227 PolarHBondContact OE1-N 2.89Å; E198-A227 VanDerWaalsContact OE1-N 3.11Å
199G75.3Confident92.9Very high77 Ų7750.3 Ų50.379%0.79428%0.278SS*.THydrogen-bonded Turntrans81.7-44.2178.100000115.3S197S197-G199 PolarHBondContact O-N 3.43Å
200Q82Confident93Very high176 Ų17649.2 Ų49.282%0.82227%0.273SS*.THydrogen-bonded Turntrans-90.8-22.8178.9-58.6-173.85.800113.5S197 E198S197-Q200 WeakPolarHBondContact OG-CB 3.14Å; E198-Q200 VanDerWaalsContact C-N 3.26Å; E198-Q200 PolarHBondContact O-N 3.19Å
201G88.1Confident93Very high32 Ų3251.4 Ų51.433%0.3328%0.283SS..BIsolated β-bridgetrans71.7-153.5-172.600000112.1S197S197-G201 PolarHBondContact N-O 2.8Å; S197-G201 WeakPolarHBondContact O-CA 3.49Å; S197-G201 PolarHBondContact O-N 3.45Å; S197-G201 PolarHBondContact OG-O 3Å
202M92.5Very high92.9Very high25 Ų2554.1 Ų54.112%0.12330%0.295CS..SBendtrans-76.5144.9177-61.9-178.6-60.300110.7T174 V194 Y213T174-M202 VanDerWaalsContact O-CE 3.28Å; T174-M202 WeakPolarHBondContact O-CE 3.23Å; V194-M202 HydrophobicContact CB-SD 3.63Å; V194-M202 HydrophobicContact CG1-CG 3.9Å; V194-M202 HydrophobicContact CG1-SD 3.43Å; V194-M202 WeakPolarHBondContact CG1-SD 3.31Å; M202-Y213 HydrophobicContact CE-CD1 4.09Å; M202-Y213 HydrophobicContact CE-CE1 3.9Å
203S93.3Very high92.8Very high51 Ų5157.5 Ų57.536%0.35731%0.309SS..  trans-64.2144.9169.968.50000110.3D101 L205 V206 S207D101-S203 WeakPolarHBondContact OD2-CA 3.47Å; D101-S203 WeakPolarHBondContact OD2-CB 3.5Å; D101-S203 PolarHBondContact OD2-N 2.75Å; D101-S203 PolarHBondContact OD2-OG 2.72Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 2.73Å; S203-V206 WeakPolarHBondContact O-CB 3.32Å; S203-V206 PolarHBondContact O-N 3.4Å; S203-V206 WeakPolarHBondContact OG-CB 3.49Å; S203-V206 VanDerWaalsContact OG-CG2 3.27Å; S203-V206 WeakPolarHBondContact OG-CG2 3.49Å; S203-S207 PolarHBondContact O-N 3.27Å
204R93.7Very high92.7Very high196 Ų19657.6 Ų57.674%0.7431%0.309SS*.Hα-helixtrans-52.2-44-178.5-179.7178172.8179.42.6113.2V206 S207 D208R204-V206 PolarHBondContact O-N 3.39Å; R204-S207 PolarHBondContact O-N 2.67Å; R204-D208 IonicContact NE-OD2 3.73Å; R204-D208 WeakPolarHBondContact O-CB 3.27Å; R204-D208 PolarHBondContact O-N 3.49Å
205L95.7Very high92.5Very high123 Ų12360.8 Ų60.864%0.64432%0.323SS*.Hα-helixtrans-64.3-28.6179.9-68.8176.9000113.2A158 S203 K209A158-L205 HydrophobicContact CB-CB 4.33Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 2.73Å; L205-K209 WeakPolarHBondContact O-CG 3.02Å
206V96.9Very high92.4Very high3 Ų362.2 Ų62.22%0.01833%0.33CS..Hα-helixtrans-81.3-43.6175.8167.90000110.1D101 L157 I161 V194 S203 R204 D208 K209 C210D101-V206 WeakPolarHBondContact OD2-CG2 3.34Å; L157-V206 HydrophobicContact CB-CG2 3.66Å; L157-V206 HydrophobicContact CD1-CG2 4.06Å; I161-V206 HydrophobicContact CD1-CB 4.43Å; I161-V206 HydrophobicContact CD1-CG1 3.79Å; I161-V206 HydrophobicContact CD1-CG2 4.46Å; V194-V206 HydrophobicContact CG1-CG1 3.53Å; V194-V206 HydrophobicContact CG2-CG1 4.33Å; S203-V206 WeakPolarHBondContact O-CB 3.32Å; S203-V206 PolarHBondContact O-N 3.4Å; S203-V206 WeakPolarHBondContact OG-CB 3.49Å; S203-V206 VanDerWaalsContact OG-CG2 3.27Å; S203-V206 WeakPolarHBondContact OG-CG2 3.49Å; R204-V206 PolarHBondContact O-N 3.39Å; V206-D208 PolarHBondContact O-N 2.68Å; V206-K209 WeakPolarHBondContact O-CB 3.38Å; V206-K209 PolarHBondContact O-N 2.98Å; V206-K209 VanDerWaalsContact O-N 3.1Å; V206-C210 PolarHBondContact O-N 3.31Å; V206-C210 PolarHBondContact O-SG 2.82Å; V206-C210 VanDerWaalsContact O-SG 3.4Å
207S95.7Very high92.4Very high20 Ų2064.6 Ų64.614%0.1434%0.344CS..Hα-helixtrans-56-51.1174.6-167.90000111.4S203 R204 K209 C210 Y213S203-S207 PolarHBondContact O-N 3.27Å; R204-S207 PolarHBondContact O-N 2.67Å; S207-K209 PolarHBondContact O-N 2.84Å; S207-C210 WeakPolarHBondContact O-CB 3.41Å; S207-C210 PolarHBondContact O-N 2.7Å; S207-Y213 VanDerWaalsContact C-OH 3.27Å; S207-Y213 PolarHBondContact O-OH 3.5Å; S207-Y213 VanDerWaalsContact OG-CE1 3.28Å; S207-Y213 WeakPolarHBondContact OG-CE1 3.12Å; S207-Y213 PolarHBondContact OG-OH 2.92Å
208D96.8Very high92.6Very high99 Ų9967 Ų6753%0.52935%0.354SS..THydrogen-bonded Turntrans-59-14.7180-69-13.9000113.1R204 V206R204-D208 IonicContact NE-OD2 3.73Å; R204-D208 WeakPolarHBondContact O-CB 3.27Å; R204-D208 PolarHBondContact O-N 3.49Å; V206-D208 PolarHBondContact O-N 2.68Å
209K97.8Very high93.2Very high65 Ų6570 Ų7028%0.28338%0.378SS..THydrogen-bonded Turntrans-99.9-6.3177.5-65.5-65.5-163.6167.10113.8A158 I161 D162 K165 L205 V206 S207A158-K209 HydrophobicContact CB-CG 4.08Å; I161-K209 HydrophobicContact CB-CB 4.22Å; I161-K209 HydrophobicContact CD1-CB 4.24Å; I161-K209 HydrophobicContact CG2-CB 3.61Å; D162-K209 WeakPolarHBondContact OD1-CD 3.11Å; D162-K209 WeakPolarHBondContact OD1-CE 3.28Å; D162-K209 IonicContact OD1-NZ 3.31Å; D162-K209 PolarHBondContact OD1-NZ 3.1Å; D162-K209 WeakPolarHBondContact OD2-CE 3.39Å; D162-K209 IonicContact OD2-NZ 2.65Å; D162-K209 PolarHBondContact OD2-NZ 2.88Å; K165-K209 WeakPolarHBondContact CE-O 3.49Å; K165-K209 PolarHBondContact NZ-O 3.13Å; L205-K209 WeakPolarHBondContact O-CG 3.02Å; V206-K209 WeakPolarHBondContact O-CB 3.38Å; V206-K209 PolarHBondContact O-N 2.98Å; V206-K209 VanDerWaalsContact O-N 3.1Å; S207-K209 PolarHBondContact O-N 2.84Å
210C97.9Very high94Very high14 Ų1468.7 Ų68.710%0.09537%0.365CS..  trans-71.3142.3174-620000110.1G173 V206 S207 Y213G173-C210 VanDerWaalsContact CA-SG 3.54Å; V206-C210 PolarHBondContact O-N 3.31Å; V206-C210 PolarHBondContact O-SG 2.82Å; V206-C210 VanDerWaalsContact O-SG 3.4Å; S207-C210 WeakPolarHBondContact O-CB 3.41Å; S207-C210 PolarHBondContact O-N 2.7Å; C210-Y213 HydrophobicContact CB-CE1 4.02Å
211D97.6Very high94.3Very high68 Ų6869.8 Ų69.836%0.36437%0.37SS..SBendtrans-76.9-35.3175.1-64.5-59.5000111.4K165 W170 V171K165-D211 WeakPolarHBondContact CE-OD1 3.38Å; K165-D211 WeakPolarHBondContact CE-OD2 3.48Å; K165-D211 IonicContact NZ-OD1 3.99Å; K165-D211 PolarHBondContact NZ-OD1 3.42Å; K165-D211 IonicContact NZ-OD2 3.69Å; K165-D211 PolarHBondContact NZ-OD2 2.91Å; W170-D211 HydrophobicContact CE3-CB 3.83Å; W170-D211 HydrophobicContact CZ3-CB 4.24Å; V171-D211 PolarHBondContact N-OD2 2.96Å; V171-D211 PolarHBondContact O-N 3.03Å
212F96Very high94.3Very high57 Ų5772.9 Ų72.925%0.2538%0.382CS..EExtended strand (participates in β ladder)trans-154.1169.2177.158.7-90.5000110.8W170 V171 A172 G173 L185 L191 I214W170-F212 HydrophobicContact CB-CE1 4.23Å; W170-F212 HydrophobicContact CE3-CD1 4.33Å; W170-F212 HydrophobicContact CE3-CE1 4.2Å; V171-F212 PolarHBondContact O-N 3.48Å; A172-F212 WeakPolarHBondContact CA-O 3.42Å; A172-F212 HydrophobicContact CB-CD2 4.06Å; A172-F212 HydrophobicContact CB-CE2 3.36Å; A172-F212 HydrophobicContact CB-CZ 3.65Å; G173-F212 PolarHBondContact N-O 2.81Å; L185-F212 HydrophobicContact CD1-CE2 3.5Å; L185-F212 HydrophobicContact CD1-CZ 3.79Å; L191-F212 HydrophobicContact CD2-CZ 4.08Å; F212-I214 HydrophobicContact CD2-CG2 4.08Å; F212-I214 HydrophobicContact CE2-CG2 4.03Å
213Y96.7Very high93.8Very high71 Ų7178.4 Ų78.428%0.27841%0.412SS..EExtended strand (participates in β ladder)trans-121.9139.1-176.9-60-86.2000111.3G173 E175 T180 M202 S207 C210G173-Y213 CarbonylContact O-C 3.55Å; G173-Y213 VanDerWaalsContact O-CA 3.27Å; G173-Y213 WeakPolarHBondContact O-CA 3.28Å; E175-Y213 HydrophobicContact CB-CD1 4.08Å; T180-Y213 PolarHBondContact N-O 3.45Å; M202-Y213 HydrophobicContact CE-CD1 4.09Å; M202-Y213 HydrophobicContact CE-CE1 3.9Å; S207-Y213 VanDerWaalsContact C-OH 3.27Å; S207-Y213 PolarHBondContact O-OH 3.5Å; S207-Y213 VanDerWaalsContact OG-CE1 3.28Å; S207-Y213 WeakPolarHBondContact OG-CE1 3.12Å; S207-Y213 PolarHBondContact OG-OH 2.92Å; C210-Y213 HydrophobicContact CB-CE1 4.02Å
214I96.1Very high93.6Very high1 Ų179 Ų791%0.00542%0.417CS..EExtended strand (participates in β ladder)trans-122.4146.2175.659.2-177000110.8A172 G173 T174 E175 T180 L185 F212 M234A172-I214 HydrophobicContact CB-CD1 4.08Å; A172-I214 HydrophobicContact CB-CG1 4.5Å; G173-I214 PolarHBondContact O-N 3.36Å; T174-I214 WeakPolarHBondContact CA-O 3.35Å; T174-I214 HydrophobicContact CG2-CG1 4.42Å; E175-I214 PolarHBondContact N-O 3.46Å; T180-I214 CarbonylContact O-C 3.55Å; T180-I214 VanDerWaalsContact O-CA 3.23Å; T180-I214 WeakPolarHBondContact O-CA 3.37Å; L185-I214 HydrophobicContact CD1-CD1 4.5Å; L185-I214 HydrophobicContact CD1-CG2 4.24Å; L185-I214 HydrophobicContact CD2-CD1 4.28Å; F212-I214 HydrophobicContact CD2-CG2 4.08Å; F212-I214 HydrophobicContact CE2-CG2 4.03Å; I214-M234 HydrophobicContact CD1-CG 4.44Å; I214-M234 HydrophobicContact CD1-SD 3.32Å; I214-M234 WeakPolarHBondContact CD1-SD 3.37Å; I214-M234 HydrophobicContact CG1-SD 4.01Å
215K94.9Very high93.4Very high68 Ų6872.7 Ų72.730%0.29640%0.397SS..EExtended strand (participates in β ladder)trans-127.2150.7176.568.6-177.8-177.8-173.90112.2E175 A179 T180 Y182 P217E175-K215 WeakPolarHBondContact O-CA 3.44Å; E175-K215 WeakPolarHBondContact O-CB 3.35Å; A179-K215 HydrophobicContact CB-CB 4Å; A179-K215 HydrophobicContact CB-CD 4.45Å; A179-K215 HydrophobicContact CB-CG 4.29Å; A179-K215 VanDerWaalsContact O-CD 3.31Å; A179-K215 WeakPolarHBondContact O-CD 3.38Å; A179-K215 WeakPolarHBondContact O-CE 3.49Å; T180-K215 PolarHBondContact O-N 2.98Å; Y182-K215 WeakPolarHBondContact CB-O 3.35Å; Y182-K215 PolarHBondContact N-O 3.31Å; K215-P217 WeakPolarHBondContact O-CD 3.42Å
216I94.3Very high93.3Very high34 Ų3469.6 Ų69.617%0.17438%0.381CS..  trans-91.5115.5165.5-57.4168.9000106.8Y182 M218 L225 A230 L233 M234Y182-I216 HydrophobicContact CD1-CG1 4.31Å; Y182-I216 HydrophobicContact CE1-CG2 4.41Å; I216-M218 PolarHBondContact O-N 2.83Å; I216-L225 HydrophobicContact CD1-CD1 3.9Å; I216-L225 HydrophobicContact CG2-CD1 3.99Å; I216-A230 HydrophobicContact CD1-CB 3.95Å; I216-L233 HydrophobicContact CD1-CB 4.17Å; I216-L233 HydrophobicContact CD1-CD1 3.79Å; I216-L233 HydrophobicContact CG2-CD1 4.25Å; I216-M234 HydrophobicContact CD1-CE 3.44Å; I216-M234 VanDerWaalsContact CD1-CE 3.44Å; I216-M234 HydrophobicContact CG1-CE 3.11Å
217P93Very high93.1Very high61 Ų6169.6 Ų69.640%0.39638%0.382SS..  trans-60.3131.8176.3-21.131.4000111.4D181 K215D181-P217 WeakPolarHBondContact OD2-CG 3.39Å; K215-P217 WeakPolarHBondContact O-CD 3.42Å
218M91.5Very high93.1Very high70 Ų7069.3 Ų69.335%0.34538%0.38SS..  trans-128.3139.4178.5-63.2178.468.600109.5I216 V222 L225I216-M218 PolarHBondContact O-N 2.83Å; M218-V222 HydrophobicContact CE-CB 4.49Å; M218-V222 HydrophobicContact CE-CG2 3.59Å; M218-V222 WeakPolarHBondContact CE-O 3.4Å; M218-L225 HydrophobicContact CE-CD2 4.01Å; M218-L225 HydrophobicContact CE-CG 4.19Å; M218-L225 HydrophobicContact SD-CG 4.19Å
219V92.2Very high93.1Very high158 Ų15867.8 Ų67.896%0.95837%0.374SS*.  trans-112.1-2.3178.9-61.10000113
220G91.1Very high92.9Very high51 Ų5165.4 Ų65.453%0.52637%0.366SS..SBendtrans-90.5-170.3-175.500000113.6
221H89.5Confident92.9Very high198 Ų19864.7 Ų64.792%0.91736%0.361SS*.SBendtrans-88.2-9.6-178.7-56100.6000114.2
222V86.8Confident93Very high97 Ų9762.8 Ų62.859%0.58835%0.353SS*.  trans-92.9143.8178.2-70.40000110.2M218M218-V222 HydrophobicContact CE-CB 4.49Å; M218-V222 HydrophobicContact CE-CG2 3.59Å; M218-V222 WeakPolarHBondContact CE-O 3.4Å
223N83.3Confident93.1Very high142 Ų14262.9 Ų62.976%0.75936%0.356SS*.SBendtrans-87.7-14.1-173.5-64.7-29.8000114
224S87.3Confident93.1Very high64 Ų6459.5 Ų59.545%0.44834%0.343SS..  trans-154.5157.4-178.466.40000111.2
225L91Very high93.2Very high62 Ų6259.6 Ų59.633%0.32534%0.343SS..  trans-83.1167.5165.9-63.8173.8000110.2I216 M218 V229 L233I216-L225 HydrophobicContact CD1-CD1 3.9Å; I216-L225 HydrophobicContact CG2-CD1 3.99Å; M218-L225 HydrophobicContact CE-CD2 4.01Å; M218-L225 HydrophobicContact CE-CG 4.19Å; M218-L225 HydrophobicContact SD-CG 4.19Å; L225-V229 HydrophobicContact CB-CB 4.48Å; L225-V229 HydrophobicContact CB-CG1 4.44Å; L225-V229 HydrophobicContact CD1-CG1 4.14Å; L225-L233 HydrophobicContact CD1-CD1 3.72Å
226N92.3Very high93.3Very high58 Ų5862.2 Ų62.231%0.3135%0.352SS..  trans-59145.3166.3167.6-82000109.9N108 E198 S228 V229 A230N108-N226 PolarHBondContact OD1-ND2 3.15Å; N108-N226 PolarHBondContact OD1-OD1 3.2Å; E198-N226 VanDerWaalsContact OE1-CG 3.28Å; E198-N226 PolarHBondContact OE1-ND2 3.06Å; N226-S228 VanDerWaalsContact C-N 3.29Å; N226-S228 PolarHBondContact O-N 2.89Å; N226-S228 WeakPolarHBondContact OD1-CA 3.16Å; N226-S228 WeakPolarHBondContact OD1-CB 3.48Å; N226-S228 PolarHBondContact OD1-N 3.42Å; N226-S228 PolarHBondContact OD1-OG 3.17Å; N226-V229 HydrophobicContact CB-CB 4.45Å; N226-V229 HydrophobicContact CB-CG2 4.1Å; N226-V229 PolarHBondContact O-N 2.65Å; N226-V229 VanDerWaalsContact O-N 3.13Å; N226-V229 PolarHBondContact OD1-N 3.31Å; N226-A230 PolarHBondContact O-N 2.88Å
227A93.3Very high93.5Very high4 Ų461.1 Ų61.13%0.03335%0.346CS..Hα-helixtrans-59.6-38.8-17400000112.8L103 I195 E198 A230 A231L103-A227 HydrophobicContact CD1-CB 3.76Å; I195-A227 HydrophobicContact CG2-CB 4.26Å; E198-A227 HydrophobicContact CG-CB 4.02Å; E198-A227 PolarHBondContact OE1-N 2.89Å; E198-A227 VanDerWaalsContact OE1-N 3.11Å; A227-A230 PolarHBondContact O-N 3.17Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.17Å; A227-A231 PolarHBondContact O-N 3.27Å
228S95.8Very high93.7Very high14 Ų1458.4 Ų58.410%0.09833%0.329CS..Hα-helixtrans-67.9-39.6178.273.70000112.1N226 A231 S232N226-S228 VanDerWaalsContact C-N 3.29Å; N226-S228 PolarHBondContact O-N 2.89Å; N226-S228 WeakPolarHBondContact OD1-CA 3.16Å; N226-S228 WeakPolarHBondContact OD1-CB 3.48Å; N226-S228 PolarHBondContact OD1-N 3.42Å; N226-S228 PolarHBondContact OD1-OG 3.17Å; S228-A231 PolarHBondContact O-N 3.45Å; S228-S232 WeakPolarHBondContact O-CB 3.31Å; S228-S232 PolarHBondContact O-N 3.41Å; S228-S232 PolarHBondContact O-OG 2.92Å
229V96Very high94Very high67 Ų6757.3 Ų57.341%0.40632%0.322SS..Hα-helixtrans-64.7-45.2175.7179.50000111.2L225 N226 S232 L233L225-V229 HydrophobicContact CB-CB 4.48Å; L225-V229 HydrophobicContact CB-CG1 4.44Å; L225-V229 HydrophobicContact CD1-CG1 4.14Å; N226-V229 HydrophobicContact CB-CB 4.45Å; N226-V229 HydrophobicContact CB-CG2 4.1Å; N226-V229 PolarHBondContact O-N 2.65Å; N226-V229 VanDerWaalsContact O-N 3.13Å; N226-V229 PolarHBondContact OD1-N 3.31Å; V229-S232 PolarHBondContact O-N 2.86Å; V229-L233 HydrophobicContact CG1-CD1 4.28Å; V229-L233 WeakPolarHBondContact O-CG 3.49Å; V229-L233 PolarHBondContact O-N 3.03Å
230A95.2Very high94.1Very high14 Ų1457.4 Ų57.412%0.11631%0.305CS..Hα-helixtrans-60.9-46.7176.800000111.1I216 N226 A227 S232 L233 M234I216-A230 HydrophobicContact CD1-CB 3.95Å; N226-A230 PolarHBondContact O-N 2.88Å; A227-A230 PolarHBondContact O-N 3.17Å; A230-S232 PolarHBondContact O-N 3.02Å; A230-L233 PolarHBondContact O-N 3.03Å; A230-M234 WeakPolarHBondContact O-CG 3.25Å; A230-M234 PolarHBondContact O-N 3.26Å
231A97.8Very high94.3Very high0 Ų059.9 Ų59.90%030%0.301CS..Hα-helixtrans-58.3-45.3175.200000111.9L98 I112 I195 A227 S228 L233 M234 M235L98-A231 HydrophobicContact CD1-CB 4.38Å; I112-A231 HydrophobicContact CD1-CB 4.14Å; I112-A231 HydrophobicContact CG1-CB 3.86Å; I195-A231 HydrophobicContact CD1-CB 4.18Å; I195-A231 HydrophobicContact CG1-CB 3.91Å; I195-A231 HydrophobicContact CG2-CB 4.49Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.17Å; A227-A231 PolarHBondContact O-N 3.27Å; S228-A231 PolarHBondContact O-N 3.45Å; A231-L233 PolarHBondContact O-N 2.8Å; A231-M234 PolarHBondContact O-N 3.28Å; A231-M235 HydrophobicContact CB-CE 3.94Å; A231-M235 WeakPolarHBondContact O-CB 3.38Å; A231-M235 WeakPolarHBondContact O-CE 3.49Å; A231-M235 WeakPolarHBondContact O-CG 3.06Å; A231-M235 PolarHBondContact O-N 3.08Å
232S98.4Very high94.6Very high28 Ų2853.4 Ų53.420%0.19627%0.269CS..Hα-helixtrans-60.2-42.5177.9-63.80000112.5T115 S228 V229 A230 M235 Y236T115-S232 PolarHBondContact OG1-OG 2.81Å; S228-S232 WeakPolarHBondContact O-CB 3.31Å; S228-S232 PolarHBondContact O-N 3.41Å; S228-S232 PolarHBondContact O-OG 2.92Å; V229-S232 PolarHBondContact O-N 2.86Å; A230-S232 PolarHBondContact O-N 3.02Å; S232-M235 PolarHBondContact O-N 3.28Å; S232-Y236 WeakPolarHBondContact O-CB 3.28Å; S232-Y236 WeakPolarHBondContact O-CD2 2.85Å; S232-Y236 PolarHBondContact O-N 2.73Å
233L97.8Very high94.9Very high58 Ų5852 Ų5230%0.30426%0.256SS..Hα-helixtrans-64.5-41176.6-73.7168.6000112.1I216 L225 V229 A230 A231 E237I216-L233 HydrophobicContact CD1-CB 4.17Å; I216-L233 HydrophobicContact CD1-CD1 3.79Å; I216-L233 HydrophobicContact CG2-CD1 4.25Å; L225-L233 HydrophobicContact CD1-CD1 3.72Å; V229-L233 HydrophobicContact CG1-CD1 4.28Å; V229-L233 WeakPolarHBondContact O-CG 3.49Å; V229-L233 PolarHBondContact O-N 3.03Å; A230-L233 PolarHBondContact O-N 3.03Å; A231-L233 PolarHBondContact O-N 2.8Å; L233-E237 WeakPolarHBondContact O-CB 3.48Å; L233-E237 PolarHBondContact O-N 3.12Å
234M97.6Very high95.1Very high1 Ų151.1 Ų51.11%0.00525%0.251CS..Hα-helixtrans-65.2-46176.6-65.8-53.3126.400112.2T174 Y182 I193 I195 I214 I216 A230 A231 E237 V238T174-M234 HydrophobicContact CG2-CG 4.03Å; T174-M234 HydrophobicContact CG2-SD 4.41Å; Y182-M234 HydrophobicContact CD2-CE 3.86Å; Y182-M234 HydrophobicContact CD2-SD 4.31Å; Y182-M234 HydrophobicContact CG-CE 3.74Å; Y182-M234 HydrophobicContact CG-SD 4.39Å; I193-M234 HydrophobicContact CD1-CB 4.13Å; I193-M234 HydrophobicContact CG2-CB 4.05Å; I193-M234 HydrophobicContact CG2-CG 4.11Å; I195-M234 HydrophobicContact CD1-CG 4.19Å; I214-M234 HydrophobicContact CD1-CG 4.44Å; I214-M234 HydrophobicContact CD1-SD 3.32Å; I214-M234 WeakPolarHBondContact CD1-SD 3.37Å; I214-M234 HydrophobicContact CG1-SD 4.01Å; I216-M234 HydrophobicContact CD1-CE 3.44Å; I216-M234 VanDerWaalsContact CD1-CE 3.44Å; I216-M234 HydrophobicContact CG1-CE 3.11Å; A230-M234 WeakPolarHBondContact O-CG 3.25Å; A230-M234 PolarHBondContact O-N 3.26Å; A231-M234 PolarHBondContact O-N 3.28Å; M234-E237 PolarHBondContact O-N 2.91Å; M234-V238 PolarHBondContact O-N 3Å; M234-V238 VanDerWaalsContact O-N 3.08Å
235M98.3Very high95.2Very high2 Ų255.4 Ų55.41%0.0127%0.274CS..Hα-helixtrans-60.5-46.8178.4-75.2-174.5-8400111.8L98 I112 T115 A116 T119 V121 A231 S232 E237 V238 F239L98-M235 HydrophobicContact CD1-CE 3.74Å; L98-M235 HydrophobicContact CD1-CG 3.99Å; L98-M235 HydrophobicContact CD1-SD 3.54Å; L98-M235 VanDerWaalsContact CD1-SD 3.54Å; L98-M235 HydrophobicContact CD2-CG 4.18Å; L98-M235 HydrophobicContact CG-CG 4.35Å; L98-M235 HydrophobicContact CG-SD 4.31Å; I112-M235 HydrophobicContact CG2-CE 4.18Å; T115-M235 HydrophobicContact CG2-CB 4.31Å; T115-M235 HydrophobicContact CG2-CE 3.67Å; T115-M235 HydrophobicContact CG2-SD 4.17Å; A116-M235 WeakPolarHBondContact CA-SD 3.4Å; A116-M235 HydrophobicContact CB-SD 3.84Å; T119-M235 HydrophobicContact CG2-CB 4.21Å; V121-M235 HydrophobicContact CG2-CB 4.49Å; V121-M235 HydrophobicContact CG2-CG 3.75Å; V121-M235 HydrophobicContact CG2-SD 3.68Å; A231-M235 HydrophobicContact CB-CE 3.94Å; A231-M235 WeakPolarHBondContact O-CB 3.38Å; A231-M235 WeakPolarHBondContact O-CE 3.49Å; A231-M235 WeakPolarHBondContact O-CG 3.06Å; A231-M235 PolarHBondContact O-N 3.08Å; S232-M235 PolarHBondContact O-N 3.28Å; M235-E237 VanDerWaalsContact C-N 3.33Å; M235-E237 PolarHBondContact O-N 3.44Å; M235-V238 PolarHBondContact O-N 3.07Å; M235-F239 WeakPolarHBondContact O-CB 3.08Å; M235-F239 PolarHBondContact O-N 3.3Å
236Y97.6Very high95Very high123 Ų12356 Ų5648%0.48230%0.296SS..Hα-helixtrans-68.6-29.7178.3-93.4-75000113.5T115 T119 S232 F239 R240T115-Y236 HydrophobicContact CG2-CD2 4Å; T115-Y236 HydrophobicContact CG2-CE2 3.81Å; T119-Y236 HydrophobicContact CG2-CD1 4.03Å; T119-Y236 HydrophobicContact CG2-CD2 3.87Å; T119-Y236 HydrophobicContact CG2-CE1 3.97Å; T119-Y236 HydrophobicContact CG2-CE2 3.83Å; T119-Y236 HydrophobicContact CG2-CG 3.98Å; S232-Y236 WeakPolarHBondContact O-CB 3.28Å; S232-Y236 WeakPolarHBondContact O-CD2 2.85Å; S232-Y236 PolarHBondContact O-N 2.73Å; Y236-F239 HydrophobicContact CD1-CD1 4.4Å; Y236-R240 WeakPolarHBondContact O-CB 3.39Å; Y236-R240 PolarHBondContact O-N 2.98Å
237E97.4Very high94.4Very high11 Ų1159 Ų595%0.05131%0.308CS..Hα-helixtrans-69.5-42.7174.5-17161.9-165.800111.1Y182 R183 L233 M234 M235 F239 R240 K241Y182-E237 HydrophobicContact CD2-CB 3.8Å; Y182-E237 HydrophobicContact CD2-CG 3.83Å; Y182-E237 HydrophobicContact CE2-CB 3.91Å; Y182-E237 HydrophobicContact CE2-CG 4.06Å; R183-E237 WeakPolarHBondContact CA-OE1 3.44Å; L233-E237 WeakPolarHBondContact O-CB 3.48Å; L233-E237 PolarHBondContact O-N 3.12Å; M234-E237 PolarHBondContact O-N 2.91Å; M235-E237 VanDerWaalsContact C-N 3.33Å; M235-E237 PolarHBondContact O-N 3.44Å; E237-F239 PolarHBondContact O-N 3.24Å; E237-R240 PolarHBondContact O-N 3.11Å; E237-R240 IonicContact OE1-NH1 3.13Å; E237-R240 IonicContact OE2-NH1 4Å; E237-K241 WeakPolarHBondContact O-CB 3.45Å; E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.39Å; E237-K241 WeakPolarHBondContact OE1-CE 3.46Å; E237-K241 IonicContact OE1-NZ 3.9Å
238V97.8Very high93.5Very high4 Ų466.7 Ų66.72%0.02435%0.347CS..Hα-helixtrans-59.2-48.5171.8172.90000110.9T96 L185 A187 L191 I193 M234 M235 R240 K241 R242T96-V238 HydrophobicContact CG2-CG1 4.34Å; T96-V238 WeakPolarHBondContact OG1-CG1 3.43Å; L185-V238 HydrophobicContact CD2-CG2 3.77Å; A187-V238 HydrophobicContact CB-CG1 4.3Å; A187-V238 HydrophobicContact CB-CG2 4.49Å; L191-V238 HydrophobicContact CD1-CG2 3.93Å; I193-V238 HydrophobicContact CD1-CG2 3.59Å; M234-V238 PolarHBondContact O-N 3Å; M234-V238 VanDerWaalsContact O-N 3.08Å; M235-V238 PolarHBondContact O-N 3.07Å; V238-R240 PolarHBondContact O-N 2.84Å; V238-K241 PolarHBondContact O-N 3.04Å; V238-K241 VanDerWaalsContact O-N 3.17Å; V238-R242 WeakPolarHBondContact O-CG 3.38Å; V238-R242 PolarHBondContact O-N 3.39Å; V238-R242 VanDerWaalsContact O-N 3.14Å
239F96.4Very high93.3Very high48 Ų4869.4 Ų69.421%0.21136%0.359CS..Hα-helixtrans-56.3-50.1178.1-178.5-93000111.3T119 M235 Y236 E237 K241 R242 H243 I248T119-F239 HydrophobicContact CG2-CB 4.27Å; T119-F239 HydrophobicContact CG2-CG 4.46Å; M235-F239 WeakPolarHBondContact O-CB 3.08Å; M235-F239 PolarHBondContact O-N 3.3Å; Y236-F239 HydrophobicContact CD1-CD1 4.4Å; E237-F239 PolarHBondContact O-N 3.24Å; F239-K241 VanDerWaalsContact C-N 3.28Å; F239-K241 PolarHBondContact O-N 3.14Å; F239-R242 PolarHBondContact O-N 3.17Å; F239-R242 VanDerWaalsContact O-N 3.07Å; F239-H243 AromaticContact CD2-CD2 3.42Å; F239-H243 VanDerWaalsContact CD2-CD2 3.42Å; F239-H243 WeakPolarHBondContact CD2-CD2 3.49Å; F239-H243 AromaticContact CD2-NE2 3.86Å; F239-H243 HydrophobicContact CE1-CB 4.47Å; F239-H243 AromaticContact CE2-CD2 3.39Å; F239-H243 WeakPolarHBondContact CE2-CD2 3.46Å; F239-H243 AromaticContact CE2-NE2 3.73Å; F239-H243 AromaticContact CG-CD2 3.84Å; F239-H243 AromaticContact CZ-CD2 3.78Å; F239-H243 PolarHBondContact O-CD2 2.74Å; F239-H243 VanDerWaalsContact O-CD2 3.24Å; F239-H243 PolarHBondContact O-N 3.44Å; F239-I248 HydrophobicContact CE1-CD1 4.44Å; F239-I248 HydrophobicContact CE2-CD1 3.77Å; F239-I248 HydrophobicContact CZ-CD1 3.43Å; F239-I248 VanDerWaalsContact CZ-CD1 3.43Å
240R95.4Very high93.2Very high160 Ų16069.5 Ų69.560%0.60436%0.357SS*.Hα-helixtrans-60.8-33.8178.2178.7-174.9170.5-151.5-1.1113.1Y236 E237 V238 R242Y236-R240 WeakPolarHBondContact O-CB 3.39Å; Y236-R240 PolarHBondContact O-N 2.98Å; E237-R240 PolarHBondContact O-N 3.11Å; E237-R240 IonicContact OE1-NH1 3.13Å; E237-R240 IonicContact OE2-NH1 4Å; V238-R240 PolarHBondContact O-N 2.84Å; R240-R242 VanDerWaalsContact C-N 3.29Å
241K95.3Very high93.1Very high102 Ų10272.6 Ų72.644%0.44337%0.37SS..Hα-helixtrans-75.4-20.4178-69.5-76.2-176.7171.90112.9R183 A187 E237 V238 F239R183-K241 WeakPolarHBondContact O-CE 3.33Å; R183-K241 PolarHBondContact O-NZ 3.31Å; A187-K241 HydrophobicContact CB-CB 3.71Å; A187-K241 HydrophobicContact CB-CG 4.31Å; E237-K241 WeakPolarHBondContact O-CB 3.45Å; E237-K241 WeakPolarHBondContact O-CG 3.4Å; E237-K241 PolarHBondContact O-N 3.39Å; E237-K241 WeakPolarHBondContact OE1-CE 3.46Å; E237-K241 IonicContact OE1-NZ 3.9Å; V238-K241 PolarHBondContact O-N 3.04Å; V238-K241 VanDerWaalsContact O-N 3.17Å; F239-K241 VanDerWaalsContact C-N 3.28Å; F239-K241 PolarHBondContact O-N 3.14Å
242R94.9Very high92.8Very high62 Ų6276.8 Ų76.823%0.23439%0.392CS..Hα-helixtrans-103.4-8.4-178.9-67.8-177.1178.2172.46.6114L94 L95 T96 A187 M189 V238 F239 R240L94-R242 VanDerWaalsContact CB-CZ 3.49Å; L94-R242 PolarHBondContact O-NH1 2.88Å; L94-R242 VanDerWaalsContact O-NH1 3.11Å; L95-R242 PolarHBondContact O-NH2 3.35Å; T96-R242 PolarHBondContact OG1-NH1 2.75Å; T96-R242 PolarHBondContact OG1-NH2 3.11Å; A187-R242 PolarHBondContact O-NE 2.88Å; M189-R242 PolarHBondContact O-NH2 3.33Å; V238-R242 WeakPolarHBondContact O-CG 3.38Å; V238-R242 PolarHBondContact O-N 3.39Å; V238-R242 VanDerWaalsContact O-N 3.14Å; F239-R242 PolarHBondContact O-N 3.17Å; F239-R242 VanDerWaalsContact O-N 3.07Å; R240-R242 VanDerWaalsContact C-N 3.29Å
243H92.9Very high92.5Very high67 Ų6779.9 Ų79.931%0.3140%0.404SS..SBendtrans-131.9123.7179.9-63.6-65.4000110.3F239 I248F239-H243 AromaticContact CD2-CD2 3.42Å; F239-H243 VanDerWaalsContact CD2-CD2 3.42Å; F239-H243 WeakPolarHBondContact CD2-CD2 3.49Å; F239-H243 AromaticContact CD2-NE2 3.86Å; F239-H243 HydrophobicContact CE1-CB 4.47Å; F239-H243 AromaticContact CE2-CD2 3.39Å; F239-H243 WeakPolarHBondContact CE2-CD2 3.46Å; F239-H243 AromaticContact CE2-NE2 3.73Å; F239-H243 AromaticContact CG-CD2 3.84Å; F239-H243 AromaticContact CZ-CD2 3.78Å; F239-H243 PolarHBondContact O-CD2 2.74Å; F239-H243 VanDerWaalsContact O-CD2 3.24Å; F239-H243 PolarHBondContact O-N 3.44Å; H243-I248 HydrophobicContact CB-CD1 4.26Å; H243-I248 WeakPolarHBondContact ND1-CD1 3.39Å
244D89.3Confident92.1Very high124 Ų12481.3 Ų81.366%0.66341%0.411SS*.  trans-67.4155.6175.3-79.2-26.9000110.7G246 E247D244-G246 PolarHBondContact O-N 2.97Å; D244-E247 HydrophobicContact CB-CG 3.86Å; D244-E247 PolarHBondContact N-OE2 2.9Å; D244-E247 PolarHBondContact O-N 3.13Å; D244-E247 VanDerWaalsContact O-N 3.13Å
245V88.8Confident91.7Very high154 Ų15487.1 Ų87.193%0.93344%0.44SS*.THydrogen-bonded Turntrans-61.2111.2-179.8178.40000109.5
246G85.9Confident91.2Very high75 Ų7593.6 Ų93.677%0.77347%0.473SS*.THydrogen-bonded Turntrans100.75.7177.500000115.8D244 I248D244-G246 PolarHBondContact O-N 2.97Å; G246-I248 VanDerWaalsContact C-N 3.35Å
247E79.5Confident90.7Very high121 Ų12191.2 Ų91.257%0.56547%0.472SS*.  trans-74.9-16.5177.9-74.8-170.714400115D244D244-E247 HydrophobicContact CB-CG 3.86Å; D244-E247 PolarHBondContact N-OE2 2.9Å; D244-E247 PolarHBondContact O-N 3.13Å; D244-E247 VanDerWaalsContact O-N 3.13Å
248I74.4Confident90.1Very high166 Ų16698.5 Ų98.585%0.85151%0.51SS*.  trans-132.40-175.5-59.4172.5000110.8F239 H243 G246F239-I248 HydrophobicContact CE1-CD1 4.44Å; F239-I248 HydrophobicContact CE2-CD1 3.77Å; F239-I248 HydrophobicContact CZ-CD1 3.43Å; F239-I248 VanDerWaalsContact CZ-CD1 3.43Å; H243-I248 HydrophobicContact CB-CD1 4.26Å; H243-I248 WeakPolarHBondContact ND1-CD1 3.39Å; G246-I248 VanDerWaalsContact C-N 3.35Å

Retrieved 248 of 248 residues in 1344.9 ms (Link to these results)

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