A0A061AL82_CAEEL Loading...

RAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AL82, Species CAEEL (Caenorhabditis elegans), Gene fask-1, Length 179 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M84.4Confident91.4Very high51 Ų5143.5 Ų43.525%0.25124%0.236SC..  0-61.50-66.4-172.8-67.200111.3L3 L4 M5 A43 L46 V78 G82 F84M1-L3 PolarHBondContact O-N 3.48Å; M1-L4 WeakPolarHBondContact O-CB 3.23Å; M1-L4 PolarHBondContact O-N 2.86Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-M5 HydrophobicContact CB-CE 4Å; M1-M5 PolarHBondContact O-N 3.1Å; M1-M5 VanDerWaalsContact O-N 3.16Å; M1-A43 HydrophobicContact CE-CB 4.01Å; M1-A43 HydrophobicContact SD-CB 3.65Å; M1-L46 HydrophobicContact CE-CB 4.08Å; M1-L46 HydrophobicContact CE-CD1 3.98Å; M1-V78 HydrophobicContact CG-CG1 4.18Å; M1-V78 HydrophobicContact CG-CG2 4.35Å; M1-V78 HydrophobicContact SD-CG2 4.06Å; M1-G82 WeakPolarHBondContact CB-O 3.39Å; M1-F84 HydrophobicContact SD-CB 4.05Å
2T89.7Confident91.4Very high69 Ų6944.8 Ų44.842%0.42325%0.246SC..Hα-helixtrans-56.7-44.3-176.1-36.90000115L4 M5 I6 Q135T2-L4 VanDerWaalsContact C-N 3.3Å; T2-L4 PolarHBondContact O-N 3.01Å; T2-M5 WeakPolarHBondContact O-CB 3.3Å; T2-M5 PolarHBondContact O-N 2.67Å; T2-M5 VanDerWaalsContact O-N 3.1Å; T2-I6 HydrophobicContact CG2-CD1 4.18Å; T2-I6 WeakPolarHBondContact O-CG1 3.3Å; T2-I6 PolarHBondContact O-N 3Å; T2-Q135 PolarHBondContact OG1-OE1 2.97Å
3L91.3Very high91.4Very high103 Ų10348.1 Ų48.154%0.53926%0.263SS..Hα-helixtrans-63.1-33.8177.9-72.5173.3000113.4M1 S7 V23 F28M1-L3 PolarHBondContact O-N 3.48Å; L3-S7 WeakPolarHBondContact O-CB 3.42Å; L3-S7 PolarHBondContact O-N 2.8Å; L3-S7 PolarHBondContact O-OG 3.33Å; L3-V23 HydrophobicContact CB-CG2 3.98Å; L3-V23 WeakPolarHBondContact O-CG2 3.15Å; L3-F28 HydrophobicContact CB-CZ 3.94Å; L3-F28 HydrophobicContact CD1-CE1 4.42Å; L3-F28 HydrophobicContact CD1-CZ 4.13Å
4L93.5Very high91.3Very high0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-65-45.2172-70.8172.5000110M1 T2 I6 S7 S8 V23 N24 K25 F28 F35 C81M1-L4 WeakPolarHBondContact O-CB 3.23Å; M1-L4 PolarHBondContact O-N 2.86Å; M1-L4 VanDerWaalsContact O-N 3.11Å; T2-L4 VanDerWaalsContact C-N 3.3Å; T2-L4 PolarHBondContact O-N 3.01Å; L4-I6 PolarHBondContact O-N 3.26Å; L4-S7 PolarHBondContact O-N 2.74Å; L4-S8 WeakPolarHBondContact O-CB 3.26Å; L4-S8 PolarHBondContact O-N 3.44Å; L4-S8 PolarHBondContact O-OG 2.81Å; L4-V23 HydrophobicContact CD2-CG2 4.38Å; L4-N24 VanDerWaalsContact CD2-C 3.5Å; L4-K25 HydrophobicContact CD1-CG 4.27Å; L4-F28 HydrophobicContact CD1-CE2 4.42Å; L4-F28 HydrophobicContact CD2-CD2 3.91Å; L4-F28 HydrophobicContact CD2-CE2 3.62Å; L4-F28 HydrophobicContact CG-CD2 4.15Å; L4-F28 HydrophobicContact CG-CE2 3.66Å; L4-F35 HydrophobicContact CD1-CE1 3.9Å; L4-F35 HydrophobicContact CD1-CE2 4.44Å; L4-F35 HydrophobicContact CD1-CZ 3.54Å; L4-C81 CarbonylContact C-O 3.3Å; L4-C81 VanDerWaalsContact C-O 3.3Å
5M93.3Very high90.9Very high4 Ų458.7 Ų58.72%0.0231%0.309CS..Hα-helixtrans-62.3-41.7178.2-77.2-179.9-89.800112.7M1 T2 S8 A9 C81 G82 Q135 L138 L142M1-M5 HydrophobicContact CB-CE 4Å; M1-M5 PolarHBondContact O-N 3.1Å; M1-M5 VanDerWaalsContact O-N 3.16Å; T2-M5 WeakPolarHBondContact O-CB 3.3Å; T2-M5 PolarHBondContact O-N 2.67Å; T2-M5 VanDerWaalsContact O-N 3.1Å; M5-S8 PolarHBondContact O-N 3.21Å; M5-A9 VanDerWaalsContact O-CB 3.27Å; M5-A9 WeakPolarHBondContact O-CB 3.2Å; M5-A9 PolarHBondContact O-N 3.31Å; M5-C81 WeakPolarHBondContact CA-O 3.49Å; M5-C81 WeakPolarHBondContact CG-O 3.27Å; M5-C81 PolarHBondContact N-O 3.31Å; M5-G82 WeakPolarHBondContact CE-O 3.12Å; M5-Q135 HydrophobicContact CE-CG 3.21Å; M5-Q135 HydrophobicContact SD-CG 3.59Å; M5-Q135 VanDerWaalsContact SD-CG 3.59Å; M5-L138 HydrophobicContact CB-CD2 3.93Å; M5-L138 HydrophobicContact CB-CG 4.36Å; M5-L142 HydrophobicContact CB-CD1 3.97Å; M5-L142 HydrophobicContact CG-CD1 4Å; M5-L142 WeakPolarHBondContact O-CD1 3.33Å
6I92.3Very high90Very high93 Ų9359.6 Ų59.648%0.47734%0.336SS..Hα-helixtrans-62.3-46.3174.7-67.2164.4000110.3T2 L4 S8 A9 A10T2-I6 HydrophobicContact CG2-CD1 4.18Å; T2-I6 WeakPolarHBondContact O-CG1 3.3Å; T2-I6 PolarHBondContact O-N 3Å; L4-I6 PolarHBondContact O-N 3.26Å; I6-S8 VanDerWaalsContact C-N 3.34Å; I6-S8 PolarHBondContact O-N 3.48Å; I6-A9 PolarHBondContact O-N 3.47Å; I6-A10 PolarHBondContact O-N 3.44Å
7S92.9Very high89.9Confident10 Ų1065.8 Ų65.87%0.0736%0.359CS..Hα-helixtrans-63.3-40.5178.9-64.10000112.3L3 L4 K11 V23L3-S7 WeakPolarHBondContact O-CB 3.42Å; L3-S7 PolarHBondContact O-N 2.8Å; L3-S7 PolarHBondContact O-OG 3.33Å; L4-S7 PolarHBondContact O-N 2.74Å; S7-K11 WeakPolarHBondContact O-CG 3.44Å; S7-K11 PolarHBondContact O-N 3.45Å; S7-K11 VanDerWaalsContact O-N 3.1Å; S7-V23 WeakPolarHBondContact CB-O 3.27Å; S7-V23 WeakPolarHBondContact OG-CG2 3.41Å; S7-V23 PolarHBondContact OG-N 3.09Å
8S93.4Very high89.8Confident21 Ų2167.1 Ų67.115%0.14736%0.358CS..Hα-helixtrans-69.9-38176.4-71.20000112.3L4 M5 I6 K11 V12 C81L4-S8 WeakPolarHBondContact O-CB 3.26Å; L4-S8 PolarHBondContact O-N 3.44Å; L4-S8 PolarHBondContact O-OG 2.81Å; M5-S8 PolarHBondContact O-N 3.21Å; I6-S8 VanDerWaalsContact C-N 3.34Å; I6-S8 PolarHBondContact O-N 3.48Å; S8-K11 PolarHBondContact O-N 3.39Å; S8-V12 WeakPolarHBondContact O-CB 3.37Å; S8-V12 VanDerWaalsContact O-CG2 3.29Å; S8-V12 WeakPolarHBondContact O-CG2 3.29Å; S8-V12 PolarHBondContact O-N 2.83Å; S8-C81 WeakPolarHBondContact OG-CA 3.27Å
9A93.3Very high89.7Confident13 Ų1373.9 Ų73.911%0.10739%0.388CS..Hα-helixtrans-60.2-48.1172.800000111.2M5 I6 K11 V12 D13 L138 L142M5-A9 VanDerWaalsContact O-CB 3.27Å; M5-A9 WeakPolarHBondContact O-CB 3.2Å; M5-A9 PolarHBondContact O-N 3.31Å; I6-A9 PolarHBondContact O-N 3.47Å; A9-K11 VanDerWaalsContact C-N 3.28Å; A9-K11 PolarHBondContact O-N 3.45Å; A9-V12 PolarHBondContact O-N 2.75Å; A9-D13 VanDerWaalsContact O-CB 3.26Å; A9-D13 WeakPolarHBondContact O-CB 3.5Å; A9-D13 VanDerWaalsContact O-CG 3.24Å; A9-D13 PolarHBondContact O-N 3.42Å; A9-L138 HydrophobicContact CB-CD1 4.1Å; A9-L142 HydrophobicContact CB-CD2 4.31Å
10A92.2Very high89.6Confident16 Ų1671.9 Ų71.913%0.13239%0.385CS..Hα-helixtrans-56.9-42.7175.700000111.8I6 M14 Y18I6-A10 PolarHBondContact O-N 3.44Å; A10-M14 WeakPolarHBondContact O-CB 3.37Å; A10-M14 WeakPolarHBondContact O-CG 3.38Å; A10-M14 PolarHBondContact O-N 3.2Å; A10-Y18 HydrophobicContact CB-CD1 3.97Å; A10-Y18 HydrophobicContact CB-CD2 4.13Å; A10-Y18 HydrophobicContact CB-CE1 4.14Å; A10-Y18 HydrophobicContact CB-CE2 4.32Å; A10-Y18 HydrophobicContact CB-CG 3.94Å
11K89.4Confident89.4Confident99 Ų9973.9 Ų73.943%0.4340%0.402SS..Hα-helixtrans-63.2-46.2176.8-73.4174.7-179179.20112.8S7 S8 A9 Q15S7-K11 WeakPolarHBondContact O-CG 3.44Å; S7-K11 PolarHBondContact O-N 3.45Å; S7-K11 VanDerWaalsContact O-N 3.1Å; S8-K11 PolarHBondContact O-N 3.39Å; A9-K11 VanDerWaalsContact C-N 3.28Å; A9-K11 PolarHBondContact O-N 3.45Å; K11-Q15 PolarHBondContact O-N 2.95Å
12V90.8Very high89.6Confident58 Ų5874.5 Ų74.535%0.35241%0.409SS..Hα-helixtrans-69.3-47-178171.10000111S8 A9 L142 S145S8-V12 WeakPolarHBondContact O-CB 3.37Å; S8-V12 VanDerWaalsContact O-CG2 3.29Å; S8-V12 WeakPolarHBondContact O-CG2 3.29Å; S8-V12 PolarHBondContact O-N 2.83Å; A9-V12 PolarHBondContact O-N 2.75Å; V12-L142 HydrophobicContact CB-CD2 4.44Å; V12-L142 HydrophobicContact CG2-CD2 4.1Å; V12-S145 WeakPolarHBondContact CG2-OG 3.48Å
13D91.7Very high89.7Confident88 Ų8872.9 Ų72.947%0.47140%0.399SS..Hα-helixtrans-81.8-32.2-170.1-61.6-27.1000112.3A9 R141A9-D13 VanDerWaalsContact O-CB 3.26Å; A9-D13 WeakPolarHBondContact O-CB 3.5Å; A9-D13 VanDerWaalsContact O-CG 3.24Å; A9-D13 PolarHBondContact O-N 3.42Å; D13-R141 IonicContact OD1-CZ 2.76Å; D13-R141 IonicContact OD1-NH1 2.68Å; D13-R141 PolarHBondContact OD1-NH1 2.97Å; D13-R141 IonicContact OD1-NH2 3.52Å; D13-R141 PolarHBondContact OD1-NH2 2.64Å; D13-R141 IonicContact OD2-CZ 3.09Å; D13-R141 IonicContact OD2-NH1 3.24Å; D13-R141 PolarHBondContact OD2-NH1 2.98Å; D13-R141 IonicContact OD2-NH2 2.67Å; D13-R141 PolarHBondContact OD2-NH2 2.93Å
14M90.2Very high89.8Confident93 Ų9370.9 Ų70.946%0.45839%0.389SS..Hα-helixtrans-96.7-3.2-178.7-53.4-71.9-79.500113A10 G16 K17A10-M14 WeakPolarHBondContact O-CB 3.37Å; A10-M14 WeakPolarHBondContact O-CG 3.38Å; A10-M14 PolarHBondContact O-N 3.2Å; M14-G16 VanDerWaalsContact C-N 3.26Å; M14-G16 PolarHBondContact O-N 3.02Å; M14-G16 VanDerWaalsContact O-N 3.1Å; M14-K17 VanDerWaalsContact O-CB 3.23Å; M14-K17 WeakPolarHBondContact O-CB 3.49Å; M14-K17 WeakPolarHBondContact O-CG 3.43Å; M14-K17 PolarHBondContact O-N 3.45Å
15Q84.6Confident89.7Confident163 Ų16372.5 Ų72.576%0.76240%0.396SS*.THydrogen-bonded Turntrans47.343.8173.5-60.2-177.9-16.100114.1K11 K17K11-Q15 PolarHBondContact O-N 2.95Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 3.3Å
16G77.2Confident89.6Confident72 Ų7277.9 Ų77.974%0.74242%0.421SS*.THydrogen-bonded Turntrans83.50.4179.900000115.8M14 Y18M14-G16 VanDerWaalsContact C-N 3.26Å; M14-G16 PolarHBondContact O-N 3.02Å; M14-G16 VanDerWaalsContact O-N 3.1Å; G16-Y18 VanDerWaalsContact C-N 3.28Å
17K88.6Confident89.6Confident165 Ų16575.2 Ų75.272%0.71741%0.409SS*.  trans-83.1-2.7172.4-57.8178.8-179.7177.20113.6M14 Q15 E19M14-K17 VanDerWaalsContact O-CB 3.23Å; M14-K17 WeakPolarHBondContact O-CB 3.49Å; M14-K17 WeakPolarHBondContact O-CG 3.43Å; M14-K17 PolarHBondContact O-N 3.45Å; Q15-K17 VanDerWaalsContact C-N 3.34Å; Q15-K17 PolarHBondContact O-N 3.3Å; K17-E19 PolarHBondContact O-N 3.43Å
18Y88.3Confident89.5Confident90 Ų9076.3 Ų76.335%0.35341%0.413SS..  trans-84113.8178.6179.1-102.3000110.3A10 G16 G20 P21 T22A10-Y18 HydrophobicContact CB-CD1 3.97Å; A10-Y18 HydrophobicContact CB-CD2 4.13Å; A10-Y18 HydrophobicContact CB-CE1 4.14Å; A10-Y18 HydrophobicContact CB-CE2 4.32Å; A10-Y18 HydrophobicContact CB-CG 3.94Å; G16-Y18 VanDerWaalsContact C-N 3.28Å; Y18-G20 WeakPolarHBondContact CE1-O 3.45Å; Y18-G20 VanDerWaalsContact CZ-CA 3.44Å; Y18-P21 VanDerWaalsContact CE1-O 3.3Å; Y18-P21 WeakPolarHBondContact CE1-O 3.46Å; Y18-P21 PolarHBondContact OH-O 2.93Å; Y18-T22 HydrophobicContact CD1-CG2 3.77Å; Y18-T22 HydrophobicContact CE1-CG2 3.66Å
19E87.6Confident89.4Confident197 Ų19777.3 Ų77.392%0.92142%0.422SS*.  trans-98.7-0.3-179.7-60.8-177.5170.100113.1K17K17-E19 PolarHBondContact O-N 3.43Å
20G86.6Confident89.3Confident32 Ų3286.9 Ų86.933%0.3346%0.455SS..SBendtrans-77.4178.6179.500000113.6Y18 T22Y18-G20 WeakPolarHBondContact CE1-O 3.45Å; Y18-G20 VanDerWaalsContact CZ-CA 3.44Å; G20-T22 PolarHBondContact O-N 3.26Å
21P87.3Confident89.1Confident114 Ų11493.9 Ų93.974%0.7448%0.483SS*.  trans-61.2135.5178.2-21.132.6000111.6Y18Y18-P21 VanDerWaalsContact CE1-O 3.3Å; Y18-P21 WeakPolarHBondContact CE1-O 3.46Å; Y18-P21 PolarHBondContact OH-O 2.93Å
22T88.3Confident89Confident65 Ų6592 Ų9240%0.39949%0.491SS..  trans-121.8147.4171.167.50000109.8Y18 G20Y18-T22 HydrophobicContact CD1-CG2 3.77Å; Y18-T22 HydrophobicContact CE1-CG2 3.66Å; G20-T22 PolarHBondContact O-N 3.26Å
23V91.7Very high88.9Confident35 Ų3592.7 Ų92.721%0.21249%0.493CS..  trans-119.9150.5172-58.60000111L3 L4 S7 T27 F28L3-V23 HydrophobicContact CB-CG2 3.98Å; L3-V23 WeakPolarHBondContact O-CG2 3.15Å; L4-V23 HydrophobicContact CD2-CG2 4.38Å; S7-V23 WeakPolarHBondContact CB-O 3.27Å; S7-V23 WeakPolarHBondContact OG-CG2 3.41Å; S7-V23 PolarHBondContact OG-N 3.09Å; V23-T27 HydrophobicContact CB-CG2 4.24Å; V23-T27 HydrophobicContact CG1-CG2 4.04Å; V23-F28 HydrophobicContact CB-CE2 4.07Å; V23-F28 HydrophobicContact CB-CZ 4.46Å; V23-F28 HydrophobicContact CG2-CE2 3.74Å; V23-F28 HydrophobicContact CG2-CZ 4.02Å
24N92.2Very high88.8Confident60 Ų6092.4 Ų92.432%0.32149%0.491SS..  trans-135.6177.617260.59.1000109.6L4 E26 T27 F28L4-N24 VanDerWaalsContact CD2-C 3.5Å; N24-E26 WeakPolarHBondContact CB-OE2 3.37Å; N24-E26 PolarHBondContact ND2-OE2 2.96Å; N24-E26 PolarHBondContact O-N 2.85Å; N24-E26 PolarHBondContact OD1-N 3.41Å; N24-E26 PolarHBondContact OD1-OE2 3.39Å; N24-T27 PolarHBondContact N-OG1 3.1Å; N24-T27 VanDerWaalsContact O-CB 3.26Å; N24-T27 WeakPolarHBondContact O-CB 3.44Å; N24-T27 PolarHBondContact O-N 3.42Å; N24-T27 VanDerWaalsContact O-N 3.08Å; N24-T27 WeakPolarHBondContact OD1-CB 3.45Å; N24-T27 PolarHBondContact OD1-N 3.1Å; N24-T27 PolarHBondContact OD1-OG1 3.37Å; N24-F28 VanDerWaalsContact O-CD2 3.27Å; N24-F28 WeakPolarHBondContact O-CD2 3.31Å; N24-F28 PolarHBondContact O-N 3.16Å
25K92Very high88.7Confident34 Ų3490.2 Ų90.215%0.14848%0.479CS..Hα-helixtrans-60-36.2-179.3-70.1179.8173.6161.90112L4 T27 F28 A29 F35 V78 E79 D80L4-K25 HydrophobicContact CD1-CG 4.27Å; K25-T27 VanDerWaalsContact C-N 3.28Å; K25-T27 PolarHBondContact O-N 2.65Å; K25-F28 PolarHBondContact O-N 3.11Å; K25-F28 VanDerWaalsContact O-N 3.15Å; K25-A29 PolarHBondContact O-N 3.45Å; K25-F35 HydrophobicContact CB-CD2 3.78Å; K25-F35 HydrophobicContact CB-CE2 3.8Å; K25-F35 HydrophobicContact CD-CD2 4.07Å; K25-F35 HydrophobicContact CD-CE2 4.47Å; K25-F35 HydrophobicContact CD-CG 4.14Å; K25-F35 HydrophobicContact CG-CD2 3.68Å; K25-F35 HydrophobicContact CG-CE2 3.63Å; K25-F35 HydrophobicContact CG-CG 4.18Å; K25-F35 HydrophobicContact CG-CZ 4.08Å; K25-V78 WeakPolarHBondContact CE-O 3.39Å; K25-V78 PolarHBondContact NZ-O 3.29Å; K25-E79 WeakPolarHBondContact CE-O 3.38Å; K25-D80 WeakPolarHBondContact CE-OD1 3.34Å; K25-D80 IonicContact NZ-OD1 3.98Å; K25-D80 PolarHBondContact NZ-OD1 3.42Å
26E92.1Very high89Confident118 Ų11886.1 Ų86.155%0.55146%0.462SS*.Hα-helixtrans-64.4-33.7176.9-59.572.1-156.600111.9N24 F28 A29 R30N24-E26 WeakPolarHBondContact CB-OE2 3.37Å; N24-E26 PolarHBondContact ND2-OE2 2.96Å; N24-E26 PolarHBondContact O-N 2.85Å; N24-E26 PolarHBondContact OD1-N 3.41Å; N24-E26 PolarHBondContact OD1-OE2 3.39Å; E26-F28 VanDerWaalsContact C-N 3.33Å; E26-A29 PolarHBondContact O-N 3.4Å; E26-R30 PolarHBondContact O-N 2.88Å
27T92.4Very high89.7Confident37 Ų3786.8 Ų86.823%0.22746%0.461CS..Hα-helixtrans-61.2-44.8173.9-54.90000110.3V23 N24 K25 R30 F31V23-T27 HydrophobicContact CB-CG2 4.24Å; V23-T27 HydrophobicContact CG1-CG2 4.04Å; N24-T27 PolarHBondContact N-OG1 3.1Å; N24-T27 VanDerWaalsContact O-CB 3.26Å; N24-T27 WeakPolarHBondContact O-CB 3.44Å; N24-T27 PolarHBondContact O-N 3.42Å; N24-T27 VanDerWaalsContact O-N 3.08Å; N24-T27 WeakPolarHBondContact OD1-CB 3.45Å; N24-T27 PolarHBondContact OD1-N 3.1Å; N24-T27 PolarHBondContact OD1-OG1 3.37Å; K25-T27 VanDerWaalsContact C-N 3.28Å; K25-T27 PolarHBondContact O-N 2.65Å; T27-R30 WeakPolarHBondContact O-CB 3.26Å; T27-R30 PolarHBondContact O-N 2.91Å; T27-F31 HydrophobicContact CG2-CE2 4.34Å; T27-F31 WeakPolarHBondContact O-CD2 3.08Å; T27-F31 WeakPolarHBondContact O-CE2 3.41Å
28F90.2Very high89.8Confident33 Ų3385.1 Ų85.115%0.14545%0.454CS..Hα-helixtrans-70.3-33.8178.6-75.5-70.6000113.3L3 L4 V23 N24 K25 E26 R30 F31 G32 I33 F35L3-F28 HydrophobicContact CB-CZ 3.94Å; L3-F28 HydrophobicContact CD1-CE1 4.42Å; L3-F28 HydrophobicContact CD1-CZ 4.13Å; L4-F28 HydrophobicContact CD1-CE2 4.42Å; L4-F28 HydrophobicContact CD2-CD2 3.91Å; L4-F28 HydrophobicContact CD2-CE2 3.62Å; L4-F28 HydrophobicContact CG-CD2 4.15Å; L4-F28 HydrophobicContact CG-CE2 3.66Å; V23-F28 HydrophobicContact CB-CE2 4.07Å; V23-F28 HydrophobicContact CB-CZ 4.46Å; V23-F28 HydrophobicContact CG2-CE2 3.74Å; V23-F28 HydrophobicContact CG2-CZ 4.02Å; N24-F28 VanDerWaalsContact O-CD2 3.27Å; N24-F28 WeakPolarHBondContact O-CD2 3.31Å; N24-F28 PolarHBondContact O-N 3.16Å; K25-F28 PolarHBondContact O-N 3.11Å; K25-F28 VanDerWaalsContact O-N 3.15Å; E26-F28 VanDerWaalsContact C-N 3.33Å; F28-R30 PolarHBondContact O-N 3.33Å; F28-F31 CarbonylContact O-C 3.58Å; F28-F31 WeakPolarHBondContact O-CA 2.97Å; F28-F31 PolarHBondContact O-N 3.45Å; F28-G32 PolarHBondContact O-N 3.45Å; F28-I33 CarbonylContact C-O 3.58Å; F28-I33 HydrophobicContact CB-CB 4.07Å; F28-I33 HydrophobicContact CB-CG2 4.31Å; F28-I33 HydrophobicContact CD1-CD1 4.09Å; F28-I33 PolarHBondContact O-N 3.29Å; F28-I33 VanDerWaalsContact O-N 3.11Å; F28-F35 HydrophobicContact CB-CE2 3.9Å; F28-F35 HydrophobicContact CB-CZ 4.49Å; F28-F35 HydrophobicContact CD2-CE2 4.29Å; F28-F35 HydrophobicContact CD2-CZ 4.29Å; F28-F35 HydrophobicContact CG-CE2 4.35Å
29A90.5Very high89.9Confident42 Ų4282.2 Ų82.235%0.34745%0.446SS..Hα-helixtrans-58.4-35.117600000112K25 E26 F31 G32 I33K25-A29 PolarHBondContact O-N 3.45Å; E26-A29 PolarHBondContact O-N 3.4Å; A29-F31 PolarHBondContact O-N 3Å; A29-G32 PolarHBondContact O-N 2.99Å; A29-I33 WeakPolarHBondContact CA-O 3.41Å; A29-I33 PolarHBondContact N-O 2.92Å
30R90.8Very high90.2Very high214 Ų21474 Ų7481%0.80841%0.408SS*.THydrogen-bonded Turntrans-62.1-21.7174.6-63.6175.2-176-174.20.3113.7E26 T27 F28E26-R30 PolarHBondContact O-N 2.88Å; T27-R30 WeakPolarHBondContact O-CB 3.26Å; T27-R30 PolarHBondContact O-N 2.91Å; F28-R30 PolarHBondContact O-N 3.33Å
31F89.2Confident90.3Very high162 Ų16279.4 Ų79.471%0.71142%0.418SS*.THydrogen-bonded Turntrans-101.714.6176.1-59.1-78.6000112.5T27 F28 A29 I33T27-F31 HydrophobicContact CG2-CE2 4.34Å; T27-F31 WeakPolarHBondContact O-CD2 3.08Å; T27-F31 WeakPolarHBondContact O-CE2 3.41Å; F28-F31 CarbonylContact O-C 3.58Å; F28-F31 WeakPolarHBondContact O-CA 2.97Å; F28-F31 PolarHBondContact O-N 3.45Å; A29-F31 PolarHBondContact O-N 3Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.44Å
32G87.6Confident90.4Very high59 Ų5977 Ų7761%0.60840%0.399SS*.THydrogen-bonded Turntrans79.510.1178.500000114.9F28 A29 N34F28-G32 PolarHBondContact O-N 3.45Å; A29-G32 PolarHBondContact O-N 2.99Å; G32-N34 PolarHBondContact O-N 3.24Å
33I88.5Confident90.4Very high73 Ų7374.1 Ų74.137%0.37438%0.382SS..  trans-95.788.1174.1-59.5169000108F28 A29 F31 F35 T39F28-I33 CarbonylContact C-O 3.58Å; F28-I33 HydrophobicContact CB-CB 4.07Å; F28-I33 HydrophobicContact CB-CG2 4.31Å; F28-I33 HydrophobicContact CD1-CD1 4.09Å; F28-I33 PolarHBondContact O-N 3.29Å; F28-I33 VanDerWaalsContact O-N 3.11Å; A29-I33 WeakPolarHBondContact CA-O 3.41Å; A29-I33 PolarHBondContact N-O 2.92Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 3.44Å; I33-F35 HydrophobicContact CG2-CE2 4.44Å; I33-T39 HydrophobicContact CG2-CG2 4.33Å
34N88.2Confident90.2Very high83 Ų8374.8 Ų74.844%0.44438%0.38SS..  trans-88.8125.9173.6-59-40.1000107.5G32 D36 T39G32-N34 PolarHBondContact O-N 3.24Å; N34-D36 PolarHBondContact O-N 3.42Å; N34-T39 WeakPolarHBondContact O-CB 3.37Å; N34-T39 PolarHBondContact O-OG1 3.26Å
35F89Confident89.9Confident47 Ų4775.9 Ų75.921%0.20638%0.384CS..  trans-72.250.4179.9-71.3-96.5000111.9L4 K25 F28 I33 T39 V78L4-F35 HydrophobicContact CD1-CE1 3.9Å; L4-F35 HydrophobicContact CD1-CE2 4.44Å; L4-F35 HydrophobicContact CD1-CZ 3.54Å; K25-F35 HydrophobicContact CB-CD2 3.78Å; K25-F35 HydrophobicContact CB-CE2 3.8Å; K25-F35 HydrophobicContact CD-CD2 4.07Å; K25-F35 HydrophobicContact CD-CE2 4.47Å; K25-F35 HydrophobicContact CD-CG 4.14Å; K25-F35 HydrophobicContact CG-CD2 3.68Å; K25-F35 HydrophobicContact CG-CE2 3.63Å; K25-F35 HydrophobicContact CG-CG 4.18Å; K25-F35 HydrophobicContact CG-CZ 4.08Å; F28-F35 HydrophobicContact CB-CE2 3.9Å; F28-F35 HydrophobicContact CB-CZ 4.49Å; F28-F35 HydrophobicContact CD2-CE2 4.29Å; F28-F35 HydrophobicContact CD2-CZ 4.29Å; F28-F35 HydrophobicContact CG-CE2 4.35Å; I33-F35 HydrophobicContact CG2-CE2 4.44Å; F35-T39 HydrophobicContact CD1-CG2 3.99Å; F35-T39 HydrophobicContact CE1-CG2 4.4Å; F35-T39 HydrophobicContact CG-CG2 4.39Å; F35-V78 HydrophobicContact CD1-CB 3.92Å; F35-V78 HydrophobicContact CD1-CG1 4.03Å; F35-V78 HydrophobicContact CD1-CG2 4.47Å; F35-V78 HydrophobicContact CE1-CB 4.18Å; F35-V78 HydrophobicContact CE1-CG1 3.79Å
36D91.3Very high89.6Confident76 Ų7680.3 Ų80.341%0.40641%0.408SS..SBendtrans-85.6-179.2177.865.216.1000111.4N34 K38 T39 I40N34-D36 PolarHBondContact O-N 3.42Å; D36-K38 PolarHBondContact O-N 3.23Å; D36-K38 VanDerWaalsContact O-N 3.09Å; D36-K38 WeakPolarHBondContact OD1-CA 3.26Å; D36-K38 WeakPolarHBondContact OD1-CB 3.45Å; D36-K38 PolarHBondContact OD1-N 2.91Å; D36-T39 PolarHBondContact O-N 3.05Å; D36-T39 PolarHBondContact OD1-N 2.83Å; D36-I40 WeakPolarHBondContact O-CG1 3.39Å; D36-I40 PolarHBondContact O-N 3.29Å
37A90.4Very high89.3Confident87 Ų8775.6 Ų75.672%0.71939%0.386SS*.Hα-helixtrans-54.2-32179.700000113.6R41A37-R41 WeakPolarHBondContact O-CB 3.35Å; A37-R41 PolarHBondContact O-N 2.66Å
38K91.7Very high88.7Confident130 Ų13074.3 Ų74.357%0.56538%0.377SS*.Hα-helixtrans-69.8-46177.4179.9-175.2176.3-175.40110.4D36 R41 N42D36-K38 PolarHBondContact O-N 3.23Å; D36-K38 VanDerWaalsContact O-N 3.09Å; D36-K38 WeakPolarHBondContact OD1-CA 3.26Å; D36-K38 WeakPolarHBondContact OD1-CB 3.45Å; D36-K38 PolarHBondContact OD1-N 2.91Å; K38-R41 PolarHBondContact O-N 3.05Å; K38-N42 VanDerWaalsContact O-CG 3.26Å; K38-N42 PolarHBondContact O-N 3.34Å; K38-N42 PolarHBondContact O-OD1 2.92Å
39T91.3Very high87.9Confident29 Ų2977.7 Ų77.718%0.17841%0.405CS..Hα-helixtrans-64.7-40.4176.6-65.60000111.7I33 N34 F35 D36 N42 A43I33-T39 HydrophobicContact CG2-CG2 4.33Å; N34-T39 WeakPolarHBondContact O-CB 3.37Å; N34-T39 PolarHBondContact O-OG1 3.26Å; F35-T39 HydrophobicContact CD1-CG2 3.99Å; F35-T39 HydrophobicContact CE1-CG2 4.4Å; F35-T39 HydrophobicContact CG-CG2 4.39Å; D36-T39 PolarHBondContact O-N 3.05Å; D36-T39 PolarHBondContact OD1-N 2.83Å; T39-N42 PolarHBondContact O-N 3.42Å; T39-A43 WeakPolarHBondContact O-CB 3.49Å; T39-A43 PolarHBondContact O-N 3.01Å
40I92.2Very high86.7Confident24 Ų2479.9 Ų79.912%0.12342%0.417CS..Hα-helixtrans-61.7-44.3174.7-61.8-48000111.1D36 N42 A43 R44 P76 V78 F84D36-I40 WeakPolarHBondContact O-CG1 3.39Å; D36-I40 PolarHBondContact O-N 3.29Å; I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 PolarHBondContact O-N 2.93Å; I40-A43 PolarHBondContact O-N 2.88Å; I40-R44 WeakPolarHBondContact O-CB 3.5Å; I40-R44 PolarHBondContact O-N 3.3Å; I40-P76 HydrophobicContact CG2-CB 4.26Å; I40-V78 HydrophobicContact CD1-CB 4.06Å; I40-V78 HydrophobicContact CD1-CG2 3.79Å; I40-V78 VanDerWaalsContact CD1-N 3.34Å; I40-F84 HydrophobicContact CG2-CE2 4.1Å
41R89.5Confident85.7Confident146 Ų14673.4 Ų73.455%0.55140%0.399SS*.Hα-helixtrans-60.1-43.5175.3-174.1-176.268.6-153.82.3112A37 K38 R44 Q45A37-R41 WeakPolarHBondContact O-CB 3.35Å; A37-R41 PolarHBondContact O-N 2.66Å; K38-R41 PolarHBondContact O-N 3.05Å; R41-R44 WeakPolarHBondContact O-CB 3.36Å; R41-R44 PolarHBondContact O-N 3.47Å; R41-Q45 WeakPolarHBondContact O-CG 3.23Å; R41-Q45 PolarHBondContact O-N 3.34Å
42N89.3Confident84.8Confident62 Ų6270 Ų7033%0.33239%0.385SS..Hα-helixtrans-67.5-39.6178-68.2-5.6000111.6K38 T39 I40 R44 Q45 L46K38-N42 VanDerWaalsContact O-CG 3.26Å; K38-N42 PolarHBondContact O-N 3.34Å; K38-N42 PolarHBondContact O-OD1 2.92Å; T39-N42 PolarHBondContact O-N 3.42Å; I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 PolarHBondContact O-N 2.93Å; N42-R44 VanDerWaalsContact C-N 3.31Å; N42-R44 PolarHBondContact O-N 2.65Å; N42-Q45 WeakPolarHBondContact O-CB 3.43Å; N42-Q45 PolarHBondContact O-N 3.2Å; N42-L46 WeakPolarHBondContact O-CG 3.33Å; N42-L46 PolarHBondContact O-N 3.49Å
43A89.3Confident84.1Confident5 Ų570.1 Ų70.14%0.04138%0.376CS..Hα-helixtrans-60.8-41.7174.300000111.5M1 T39 I40 L46 K47 V78 F84M1-A43 HydrophobicContact CE-CB 4.01Å; M1-A43 HydrophobicContact SD-CB 3.65Å; T39-A43 WeakPolarHBondContact O-CB 3.49Å; T39-A43 PolarHBondContact O-N 3.01Å; I40-A43 PolarHBondContact O-N 2.88Å; A43-L46 WeakPolarHBondContact O-CB 3.34Å; A43-L46 PolarHBondContact O-N 3.06Å; A43-K47 PolarHBondContact O-N 3.09Å; A43-V78 HydrophobicContact CB-CG2 3.74Å; A43-F84 HydrophobicContact CB-CD2 3.57Å; A43-F84 HydrophobicContact CB-CE2 3.84Å
44R87.1Confident83.3Confident49 Ų4969 Ų6919%0.18537%0.37CS..Hα-helixtrans-59.8-47.3172.1-167.5177.8-169.3-149-2.9111.6I40 R41 N42 L46 K47 Y48 C55 D56 F84I40-R44 WeakPolarHBondContact O-CB 3.5Å; I40-R44 PolarHBondContact O-N 3.3Å; R41-R44 WeakPolarHBondContact O-CB 3.36Å; R41-R44 PolarHBondContact O-N 3.47Å; N42-R44 VanDerWaalsContact C-N 3.31Å; N42-R44 PolarHBondContact O-N 2.65Å; R44-L46 VanDerWaalsContact C-N 3.31Å; R44-L46 PolarHBondContact O-N 3.37Å; R44-K47 PolarHBondContact O-N 2.98Å; R44-Y48 HydrophobicContact CG-CD2 3.74Å; R44-Y48 HydrophobicContact CG-CE2 3.95Å; R44-Y48 WeakPolarHBondContact O-CD2 3.44Å; R44-Y48 PolarHBondContact O-N 2.84Å; R44-C55 PolarHBondContact NH2-SG 3.43Å; R44-D56 IonicContact CZ-OD1 3.94Å; R44-D56 VanDerWaalsContact CZ-OD1 3.25Å; R44-D56 IonicContact NH1-OD1 2.63Å; R44-D56 PolarHBondContact NH1-OD1 3.4Å; R44-D56 IonicContact NH1-OD2 2.64Å; R44-D56 IonicContact NH2-OD1 2.97Å; R44-D56 PolarHBondContact NH2-OD1 2.89Å; R44-D56 IonicContact NH2-OD2 3.31Å; R44-F84 HydrophobicContact CB-CE1 4.36Å; R44-F84 HydrophobicContact CB-CE2 4.06Å; R44-F84 HydrophobicContact CB-CZ 3.6Å; R44-F84 HydrophobicContact CG-CE1 4.36Å; R44-F84 HydrophobicContact CG-CZ 3.94Å
45Q85.7Confident82.9Confident84 Ų8465.1 Ų65.139%0.39335%0.349SS..Hα-helixtrans-60.9-39.9177-74.1176.2-15.500112.5R41 N42 S49 S50R41-Q45 WeakPolarHBondContact O-CG 3.23Å; R41-Q45 PolarHBondContact O-N 3.34Å; N42-Q45 WeakPolarHBondContact O-CB 3.43Å; N42-Q45 PolarHBondContact O-N 3.2Å; Q45-S49 WeakPolarHBondContact O-CA 3.09Å; Q45-S49 PolarHBondContact O-N 2.83Å; Q45-S50 PolarHBondContact O-N 3.15Å; Q45-S50 VanDerWaalsContact O-N 3.08Å
46L85.3Confident82.5Confident126 Ų12665.7 Ų65.766%0.6635%0.354SS*.Hα-helixtrans-63.3-47.8175.6-75.3169.7000111.3M1 N42 A43 R44 Y48 S49M1-L46 HydrophobicContact CE-CB 4.08Å; M1-L46 HydrophobicContact CE-CD1 3.98Å; N42-L46 WeakPolarHBondContact O-CG 3.33Å; N42-L46 PolarHBondContact O-N 3.49Å; A43-L46 WeakPolarHBondContact O-CB 3.34Å; A43-L46 PolarHBondContact O-N 3.06Å; R44-L46 VanDerWaalsContact C-N 3.31Å; R44-L46 PolarHBondContact O-N 3.37Å; L46-Y48 PolarHBondContact O-N 2.94Å; L46-S49 PolarHBondContact O-N 2.79Å
47K85Confident81.9Confident19 Ų1970.2 Ų70.28%0.08337%0.366CS..Hα-helixtrans-55.6-52.7176.4178.3170.8178.3177.20110.2A43 R44 F84 D86 F114 Q119A43-K47 PolarHBondContact O-N 3.09Å; R44-K47 PolarHBondContact O-N 2.98Å; K47-F84 HydrophobicContact CD-CD1 3.51Å; K47-F84 HydrophobicContact CD-CE1 4.09Å; K47-F84 HydrophobicContact CD-CG 4.35Å; K47-D86 IonicContact NZ-OD1 3.61Å; K47-D86 PolarHBondContact NZ-OD1 3.14Å; K47-D86 IonicContact NZ-OD2 3.8Å; K47-D86 PolarHBondContact NZ-OD2 2.64Å; K47-F114 WeakPolarHBondContact CE-O 3.33Å; K47-F114 PolarHBondContact NZ-O 2.92Å; K47-Q119 PolarHBondContact O-NE2 3.05Å
48Y81.3Confident81.2Confident11 Ų1168.8 Ų68.84%0.04334%0.342CS..THydrogen-bonded Turntrans-91.610-172.9-62.9-71000115.5R44 L46 S50 N51 C55 D86 F114R44-Y48 HydrophobicContact CG-CD2 3.74Å; R44-Y48 HydrophobicContact CG-CE2 3.95Å; R44-Y48 WeakPolarHBondContact O-CD2 3.44Å; R44-Y48 PolarHBondContact O-N 2.84Å; L46-Y48 PolarHBondContact O-N 2.94Å; Y48-S50 PolarHBondContact O-N 3.17Å; Y48-S50 VanDerWaalsContact O-N 3.13Å; Y48-N51 PolarHBondContact O-N 2.64Å; Y48-C55 HydrophobicContact CD1-CB 4.22Å; Y48-C55 HydrophobicContact CD2-CB 4.4Å; Y48-C55 HydrophobicContact CE1-CB 3.79Å; Y48-C55 HydrophobicContact CE2-CB 3.95Å; Y48-C55 PolarHBondContact OH-SG 2.73Å; Y48-D86 PolarHBondContact OH-OD1 2.85Å; Y48-D86 PolarHBondContact OH-OD2 2.92Å; Y48-F114 AromaticContact CE1-CD1 3.84Å; Y48-F114 HydrophobicContact CE1-CD1 3.84Å; Y48-F114 HydrophobicContact CE1-CE1 4.29Å; Y48-F114 PolarHBondContact OH-O 3.5Å
49S73.9Confident80.9Confident104 Ų10462.6 Ų62.673%0.72732%0.315SS*.THydrogen-bonded Turntrans44.845.7-177.7-55.10000113.2Q45 L46 N51Q45-S49 WeakPolarHBondContact O-CA 3.09Å; Q45-S49 PolarHBondContact O-N 2.83Å; L46-S49 PolarHBondContact O-N 2.79Å; S49-N51 PolarHBondContact O-N 3.33Å; S49-N51 VanDerWaalsContact O-N 3.09Å
50S63.4Low80.7Confident87 Ų8763.4 Ų63.461%0.60832%0.318SS*.THydrogen-bonded Turntrans68.7-14.4-174.8-53.30000117Q45 Y48 H52Q45-S50 PolarHBondContact O-N 3.15Å; Q45-S50 VanDerWaalsContact O-N 3.08Å; Y48-S50 PolarHBondContact O-N 3.17Å; Y48-S50 VanDerWaalsContact O-N 3.13Å; S50-H52 VanDerWaalsContact C-N 3.33Å; S50-H52 PolarHBondContact O-N 2.98Å; S50-H52 VanDerWaalsContact O-N 3.13Å; S50-H52 PolarHBondContact O-ND1 3.22Å
51N69.8Low80.5Confident78 Ų7866.7 Ų66.742%0.41733%0.331SS..  trans-87.467.8172.9-170.86.3000111.8Y48 S49 S53Y48-N51 PolarHBondContact O-N 2.64Å; S49-N51 PolarHBondContact O-N 3.33Å; S49-N51 VanDerWaalsContact O-N 3.09Å; N51-S53 PolarHBondContact O-N 3.15Å; N51-S53 PolarHBondContact OD1-OG 3.37Å
52H70.2Confident80.5Confident90 Ų9059.8 Ų59.842%0.41731%0.305SS..THydrogen-bonded Turntrans-72.6-12.3177.253.7-74.9000113.3S50 E54 C55 D56S50-H52 VanDerWaalsContact C-N 3.33Å; S50-H52 PolarHBondContact O-N 2.98Å; S50-H52 VanDerWaalsContact O-N 3.13Å; S50-H52 PolarHBondContact O-ND1 3.22Å; H52-E54 PolarHBondContact O-N 3.31Å; H52-C55 PolarHBondContact O-N 3.44Å; H52-C55 VanDerWaalsContact O-N 3.17Å; H52-D56 IonicContact CD2-OD2 3.25Å; H52-D56 PolarHBondContact CD2-OD2 2.76Å; H52-D56 VanDerWaalsContact CD2-OD2 3.31Å; H52-D56 PolarHBondContact O-N 3.39Å
53S73.4Confident80.5Confident62 Ų6257 Ų5743%0.43429%0.29SS..Hα-helixtrans-60.1-30-177.877.50000112.9N51 R57N51-S53 PolarHBondContact O-N 3.15Å; N51-S53 PolarHBondContact OD1-OG 3.37Å; S53-R57 WeakPolarHBondContact O-CB 3.04Å; S53-R57 PolarHBondContact O-N 3.25Å
54E72.1Confident80.6Confident51 Ų5162.4 Ų62.424%0.23831%0.313CS..Hα-helixtrans-67.9-45.9177.7-64.3-169.8168.500111.8H52 Y58H52-E54 PolarHBondContact O-N 3.31Å; E54-Y58 WeakPolarHBondContact O-CB 3.43Å; E54-Y58 WeakPolarHBondContact O-CD2 3.45Å; E54-Y58 PolarHBondContact O-N 3.08Å
55C79.6Confident80.7Confident1 Ų165 Ų651%0.00733%0.326CS..Iπ-helixtrans-62.7-46.7176.1-1770000110.9R44 Y48 H52 F59 L60 F114R44-C55 PolarHBondContact NH2-SG 3.43Å; Y48-C55 HydrophobicContact CD1-CB 4.22Å; Y48-C55 HydrophobicContact CD2-CB 4.4Å; Y48-C55 HydrophobicContact CE1-CB 3.79Å; Y48-C55 HydrophobicContact CE2-CB 3.95Å; Y48-C55 PolarHBondContact OH-SG 2.73Å; H52-C55 PolarHBondContact O-N 3.44Å; H52-C55 VanDerWaalsContact O-N 3.17Å; C55-F59 WeakPolarHBondContact O-CB 3.48Å; C55-F59 PolarHBondContact O-N 3.43Å; C55-L60 PolarHBondContact O-N 2.83Å; C55-F114 HydrophobicContact CB-CD1 3.92Å; C55-F114 HydrophobicContact CB-CE1 4.14Å
56D80.9Confident80.8Confident58 Ų5862.5 Ų62.531%0.3132%0.315SS..Iπ-helixtrans-65.2-48.2-179.3-70-36.5000112.2R44 H52 L60 K61R44-D56 IonicContact CZ-OD1 3.94Å; R44-D56 VanDerWaalsContact CZ-OD1 3.25Å; R44-D56 IonicContact NH1-OD1 2.63Å; R44-D56 PolarHBondContact NH1-OD1 3.4Å; R44-D56 IonicContact NH1-OD2 2.64Å; R44-D56 IonicContact NH2-OD1 2.97Å; R44-D56 PolarHBondContact NH2-OD1 2.89Å; R44-D56 IonicContact NH2-OD2 3.31Å; H52-D56 IonicContact CD2-OD2 3.25Å; H52-D56 PolarHBondContact CD2-OD2 2.76Å; H52-D56 VanDerWaalsContact CD2-OD2 3.31Å; H52-D56 PolarHBondContact O-N 3.39Å; D56-L60 WeakPolarHBondContact OD1-CD1 3.15Å; D56-K61 PolarHBondContact O-N 3.1Å; D56-K61 VanDerWaalsContact O-N 3.14Å
57R78.1Confident80.9Confident172 Ų17256.6 Ų56.665%0.64928%0.284SS*.Iπ-helixtrans-75.3-38.2-172.2-177.2177.4168.2173.5-2.3113.5S53 K61S53-R57 WeakPolarHBondContact O-CB 3.04Å; S53-R57 PolarHBondContact O-N 3.25Å; R57-K61 WeakPolarHBondContact O-CB 3.41Å; R57-K61 WeakPolarHBondContact O-CD 3.49Å
58Y76.8Confident80.9Confident57 Ų5758.1 Ų58.122%0.22430%0.296CS..Iπ-helixtrans-98.7-56.5-173.5-67.9-87.8000111.5E54 S62E54-Y58 WeakPolarHBondContact O-CB 3.43Å; E54-Y58 WeakPolarHBondContact O-CD2 3.45Å; E54-Y58 PolarHBondContact O-N 3.08Å; Y58-S62 WeakPolarHBondContact O-CB 3.17Å; Y58-S62 PolarHBondContact O-N 2.83Å; Y58-S62 PolarHBondContact O-OG 2.64Å
59F85.1Confident80.7Confident0 Ų062.4 Ų62.40%032%0.317CS..Iπ-helixtrans-80.1-58.6-171.7174.8-114.1000112.3C55 K61 S62 L63 D86 L112 F114 V153 L158 L171C55-F59 WeakPolarHBondContact O-CB 3.48Å; C55-F59 PolarHBondContact O-N 3.43Å; F59-K61 VanDerWaalsContact C-N 3.34Å; F59-K61 PolarHBondContact O-N 2.81Å; F59-S62 PolarHBondContact O-N 2.68Å; F59-L63 HydrophobicContact CE1-CD2 4.2Å; F59-L63 HydrophobicContact CZ-CD2 3.99Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 2.89Å; F59-D86 HydrophobicContact CE1-CB 3.89Å; F59-L112 HydrophobicContact CE2-CD1 4.48Å; F59-L112 HydrophobicContact CZ-CB 3.77Å; F59-L112 HydrophobicContact CZ-CD1 3.87Å; F59-L112 HydrophobicContact CZ-CG 4.47Å; F59-F114 HydrophobicContact CB-CB 4.13Å; F59-F114 HydrophobicContact CB-CD1 4.01Å; F59-F114 HydrophobicContact CB-CD2 3.53Å; F59-F114 HydrophobicContact CB-CE1 4.31Å; F59-F114 HydrophobicContact CB-CE2 3.87Å; F59-F114 HydrophobicContact CB-CG 3.6Å; F59-F114 HydrophobicContact CB-CZ 4.24Å; F59-F114 HydrophobicContact CD1-CB 3.59Å; F59-F114 HydrophobicContact CD1-CG 4.03Å; F59-F114 HydrophobicContact CD2-CB 4.16Å; F59-F114 HydrophobicContact CD2-CD2 4.04Å; F59-F114 HydrophobicContact CD2-CG 4.32Å; F59-F114 HydrophobicContact CE1-CB 4.01Å; F59-F114 HydrophobicContact CG-CB 3.67Å; F59-F114 HydrophobicContact CG-CD1 4.48Å; F59-F114 AromaticContact CG-CD2 3.79Å; F59-F114 HydrophobicContact CG-CD2 3.79Å; F59-F114 AromaticContact CG-CG 3.72Å; F59-F114 HydrophobicContact CG-CG 3.72Å; F59-F114 HydrophobicContact CZ-CB 4.47Å; F59-V153 HydrophobicContact CD2-CB 4.34Å; F59-V153 HydrophobicContact CD2-CG1 4.24Å; F59-V153 HydrophobicContact CE2-CB 4.29Å; F59-V153 HydrophobicContact CE2-CG2 4.08Å; F59-L158 HydrophobicContact CB-CD1 4.41Å; F59-L171 HydrophobicContact CD2-CD2 4.14Å; F59-L171 HydrophobicContact CE2-CD2 3.97Å
60L86.9Confident80.8Confident45 Ų4563 Ų6324%0.23631%0.312CS..Iπ-helixtrans-67.2-34.9-176.1-65.9-177.7000112.2C55 D56 S62 L63 F64C55-L60 PolarHBondContact O-N 2.83Å; D56-L60 WeakPolarHBondContact OD1-CD1 3.15Å; L60-S62 PolarHBondContact O-N 3.24Å; L60-L63 HydrophobicContact CD2-CD2 4.22Å; L60-L63 PolarHBondContact O-N 3.13Å; L60-F64 VanDerWaalsContact O-CB 3.26Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 3.09Å
61K88.2Confident81.8Confident93 Ų9361.4 Ų61.440%0.40430%0.298SS..Hα-helixtrans-57.5-46.8172.5-172.1-173-177.6-171.60112.2D56 R57 F59 E164D56-K61 PolarHBondContact O-N 3.1Å; D56-K61 VanDerWaalsContact O-N 3.14Å; R57-K61 WeakPolarHBondContact O-CB 3.41Å; R57-K61 WeakPolarHBondContact O-CD 3.49Å; F59-K61 VanDerWaalsContact C-N 3.34Å; F59-K61 PolarHBondContact O-N 2.81Å; K61-E164 IonicContact NZ-OE1 2.64Å; K61-E164 PolarHBondContact NZ-OE1 3.15Å; K61-E164 IonicContact NZ-OE2 2.75Å
62S88.9Confident82.8Confident1 Ų160.1 Ų60.11%0.00729%0.29CS..Hα-helixtrans-72.6-39.5-179.6-590000111.3Y58 F59 L60 F64 K65 Q167 L171Y58-S62 WeakPolarHBondContact O-CB 3.17Å; Y58-S62 PolarHBondContact O-N 2.83Å; Y58-S62 PolarHBondContact O-OG 2.64Å; F59-S62 PolarHBondContact O-N 2.68Å; L60-S62 PolarHBondContact O-N 3.24Å; S62-F64 PolarHBondContact O-N 3.49Å; S62-K65 PolarHBondContact O-N 3.18Å; S62-Q167 PolarHBondContact OG-OE1 3.12Å; S62-L171 VanDerWaalsContact CB-CD1 3.45Å
63L90.6Very high83.8Confident3 Ų356.3 Ų56.32%0.01627%0.273CS..Hα-helixtrans-62.4-41.8175.3-178.262.4000111.7F59 L60 K65 L66 A67 A87 V89 L112 L171 I175F59-L63 HydrophobicContact CE1-CD2 4.2Å; F59-L63 HydrophobicContact CZ-CD2 3.99Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 2.89Å; L60-L63 HydrophobicContact CD2-CD2 4.22Å; L60-L63 PolarHBondContact O-N 3.13Å; L63-K65 PolarHBondContact O-N 2.9Å; L63-L66 CarbonylContact O-C 3.44Å; L63-L66 WeakPolarHBondContact O-CA 3.44Å; L63-L66 WeakPolarHBondContact O-CB 3.23Å; L63-L66 PolarHBondContact O-N 3.49Å; L63-A67 HydrophobicContact CD1-CB 3.99Å; L63-A67 HydrophobicContact CG-CB 4.34Å; L63-A67 PolarHBondContact O-N 2.97Å; L63-A87 HydrophobicContact CD2-CB 3.58Å; L63-V89 HydrophobicContact CD1-CG1 4.12Å; L63-L112 HydrophobicContact CD1-CD1 3.68Å; L63-L112 HydrophobicContact CD2-CD1 3.74Å; L63-L112 HydrophobicContact CG-CD1 4.38Å; L63-L171 HydrophobicContact CB-CD1 4.41Å; L63-I175 HydrophobicContact CD1-CD1 4.14Å
64F90Very high84.7Confident119 Ų11957.5 Ų57.552%0.52227%0.272SS..Hα-helixtrans-58.9-31.8-179.8-177.2-97.7000112.8L60 S62 L66 P68 Q69L60-F64 VanDerWaalsContact O-CB 3.26Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 3.09Å; S62-F64 PolarHBondContact O-N 3.49Å; F64-L66 VanDerWaalsContact C-N 3.27Å; F64-L66 PolarHBondContact O-N 3.08Å; F64-P68 HydrophobicContact CE2-CB 4.15Å; F64-P68 HydrophobicContact CZ-CB 4.47Å; F64-Q69 HydrophobicContact CD2-CB 4.47Å
65K89.6Confident85.4Confident104 Ų10459.6 Ų59.645%0.45228%0.284SS..Hα-helixtrans-69.6-22.7175.1-65179.9178.1-174.30113.4S62 L63 E164 V168S62-K65 PolarHBondContact O-N 3.18Å; L63-K65 PolarHBondContact O-N 2.9Å; K65-E164 IonicContact NZ-OE2 2.61Å; K65-E164 PolarHBondContact NZ-OE2 3.46Å; K65-V168 HydrophobicContact CB-CG2 3.91Å; K65-V168 HydrophobicContact CD-CG2 3.7Å; K65-V168 HydrophobicContact CG-CG2 4.43Å
66L87.6Confident86Confident32 Ų3261.3 Ų61.317%0.16830%0.295CS..Hα-helixtrans-95.6-42175.5-67173.3000112.3L63 F64 V168 L171 R172 I175L63-L66 CarbonylContact O-C 3.44Å; L63-L66 WeakPolarHBondContact O-CA 3.44Å; L63-L66 WeakPolarHBondContact O-CB 3.23Å; L63-L66 PolarHBondContact O-N 3.49Å; F64-L66 VanDerWaalsContact C-N 3.27Å; F64-L66 PolarHBondContact O-N 3.08Å; L66-V168 HydrophobicContact CD1-CG1 4.41Å; L66-V168 WeakPolarHBondContact CD1-O 3.26Å; L66-V168 HydrophobicContact CD2-CG1 3.45Å; L66-V168 VanDerWaalsContact CD2-CG1 3.45Å; L66-V168 HydrophobicContact CG-CG1 3.8Å; L66-L171 HydrophobicContact CD1-CB 3.59Å; L66-R172 HydrophobicContact CD1-CB 4.23Å; L66-R172 HydrophobicContact CD2-CB 4.1Å; L66-R172 VanDerWaalsContact CD2-NH2 3.34Å; L66-I175 HydrophobicContact CD1-CD1 4.38Å
67A87.9Confident86.7Confident1 Ų161 Ų611%0.00829%0.293CS..SBendtrans-137.382.7-166.300000108.2L63 Q69 H72 C73 V89 L98L63-A67 HydrophobicContact CD1-CB 3.99Å; L63-A67 HydrophobicContact CG-CB 4.34Å; L63-A67 PolarHBondContact O-N 2.97Å; A67-Q69 PolarHBondContact O-N 3.2Å; A67-H72 HydrophobicContact CB-CB 4.17Å; A67-C73 HydrophobicContact CB-CB 3.96Å; A67-V89 HydrophobicContact CB-CG1 4.03Å; A67-L98 HydrophobicContact CB-CD1 3.26Å
68P84.8Confident87.5Confident51 Ų5152.8 Ų52.833%0.33126%0.263SS..  trans-56.6136.7176.7-2131.1000109.8F64 T71 H72F64-P68 HydrophobicContact CE2-CB 4.15Å; F64-P68 HydrophobicContact CZ-CB 4.47Å; P68-T71 PolarHBondContact O-N 3.43Å; P68-T71 PolarHBondContact O-OG1 3.31Å; P68-H72 PolarHBondContact O-N 2.89Å; P68-H72 VanDerWaalsContact O-N 3.11Å
69Q77Confident88.3Confident101 Ų10151.3 Ų51.347%0.47226%0.258SS..BIsolated β-bridgetrans-55.8144.3-179.9-161.9167.5-8.300109.8F64 A67 T71 L75F64-Q69 HydrophobicContact CD2-CB 4.47Å; A67-Q69 PolarHBondContact O-N 3.2Å; Q69-T71 PolarHBondContact O-N 3.07Å; Q69-L75 HydrophobicContact CG-CD2 4.08Å
70D76Confident88.7Confident117 Ų11756.6 Ų56.663%0.62629%0.286SS*.THydrogen-bonded Turntrans71-15.3-179.2-48.6-43.7000116.4C73 T101D70-C73 PolarHBondContact N-O 2.97Å; D70-T101 PolarHBondContact O-OG1 2.98Å
71T84.9Confident89Confident54 Ų5455.1 Ų55.133%0.33128%0.279SS..THydrogen-bonded Turntrans-104.6-44.7176.462.90000113.4P68 Q69 N100 T101P68-T71 PolarHBondContact O-N 3.43Å; P68-T71 PolarHBondContact O-OG1 3.31Å; Q69-T71 PolarHBondContact O-N 3.07Å; T71-N100 CarbonylContact O-C 3.42Å; T71-N100 WeakPolarHBondContact O-CA 3.49Å; T71-N100 PolarHBondContact O-ND2 3.28Å; T71-N100 PolarHBondContact O-OD1 2.88Å; T71-T101 PolarHBondContact O-N 2.68Å; T71-T101 PolarHBondContact O-OG1 3.27Å
72H90.1Very high89.3Confident51 Ų5150.7 Ų50.724%0.23626%0.26CS..THydrogen-bonded Turntrans-131.10.4-175-62.883.8000112.7A67 P68 L98A67-H72 HydrophobicContact CB-CB 4.17Å; P68-H72 PolarHBondContact O-N 2.89Å; P68-H72 VanDerWaalsContact O-N 3.11Å; H72-L98 HydrophobicContact CB-CB 4.15Å; H72-L98 PolarHBondContact CD2-O 3.46Å; H72-L98 VanDerWaalsContact CD2-O 3.27Å
73C92.2Very high89.5Confident10 Ų1050.8 Ų50.87%0.06826%0.261CS..EExtended strand (participates in β ladder)trans-134.1134179.4-173.70000109.9A67 D70 Y88 V89A67-C73 HydrophobicContact CB-CB 3.96Å; D70-C73 PolarHBondContact N-O 2.97Å; C73-Y88 VanDerWaalsContact CA-O 3.26Å; C73-Y88 WeakPolarHBondContact CA-O 3.49Å; C73-Y88 PolarHBondContact SG-O 2.82Å; C73-V89 HydrophobicContact CB-CG1 4.49Å
74Q90.6Very high89.7Confident87 Ų8751 Ų5141%0.40726%0.262SS..EExtended strand (participates in β ladder)trans-90.6156.8168.3-77.1-178.3-11.600111.5Y88 T101 W104Q74-Y88 HydrophobicContact CB-CD2 4.22Å; Q74-Y88 PolarHBondContact N-O 2.78Å; Q74-Y88 PolarHBondContact O-N 3.34Å; Q74-T101 HydrophobicContact CG-CG2 4.08Å; Q74-W104 HydrophobicContact CB-CH2 3.95Å; Q74-W104 HydrophobicContact CB-CZ3 3.98Å; Q74-W104 HydrophobicContact CG-CE3 4.15Å; Q74-W104 HydrophobicContact CG-CH2 3.59Å; Q74-W104 HydrophobicContact CG-CZ3 3.37Å; Q74-W104 VanDerWaalsContact OE1-CZ3 3.27Å
75L88.3Confident89.9Confident95 Ų9545.3 Ų45.350%0.49724%0.237SC..PPolyproline II helixtrans-63.5155.6-179-60.4179.5000112.4Q69Q69-L75 HydrophobicContact CG-CD2 4.08Å
76P92.4Very high90.1Very high36 Ų3640.5 Ų40.523%0.23422%0.216CC..PPolyproline II helixtrans-55.7147.5171.8-13.118.5000111.9I40 F84 V85 D86I40-P76 HydrophobicContact CG2-CB 4.26Å; P76-F84 HydrophobicContact CB-CZ 3.91Å; P76-V85 VanDerWaalsContact CA-O 3.25Å; P76-V85 WeakPolarHBondContact CA-O 3.46Å; P76-V85 WeakPolarHBondContact CB-O 3.36Å; P76-D86 WeakPolarHBondContact CB-O 3.22Å; P76-D86 VanDerWaalsContact CG-O 3.23Å; P76-D86 WeakPolarHBondContact CG-O 3.37Å
77N94.6Very high90.4Very high51 Ų5139 Ų3927%0.27321%0.208SC..EExtended strand (participates in β ladder)trans-148.7158.3179.8-170.326.4000111.8V85 Y88N77-V85 PolarHBondContact N-O 3.45Å; N77-V85 VanDerWaalsContact N-O 3.08Å; N77-V85 PolarHBondContact O-N 3.44Å; N77-Y88 HydrophobicContact CB-CE2 4.01Å
78V94.5Very high90.7Very high1 Ų139.2 Ų39.21%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-97.2116.9163.3177.40000107.3M1 K25 F35 I40 A43 A83 F84M1-V78 HydrophobicContact CG-CG1 4.18Å; M1-V78 HydrophobicContact CG-CG2 4.35Å; M1-V78 HydrophobicContact SD-CG2 4.06Å; K25-V78 WeakPolarHBondContact CE-O 3.39Å; K25-V78 PolarHBondContact NZ-O 3.29Å; F35-V78 HydrophobicContact CD1-CB 3.92Å; F35-V78 HydrophobicContact CD1-CG1 4.03Å; F35-V78 HydrophobicContact CD1-CG2 4.47Å; F35-V78 HydrophobicContact CE1-CB 4.18Å; F35-V78 HydrophobicContact CE1-CG1 3.79Å; I40-V78 HydrophobicContact CD1-CB 4.06Å; I40-V78 HydrophobicContact CD1-CG2 3.79Å; I40-V78 VanDerWaalsContact CD1-N 3.34Å; A43-V78 HydrophobicContact CB-CG2 3.74Å; V78-A83 CarbonylContact C-O 3.53Å; V78-A83 WeakPolarHBondContact CA-O 3.37Å; V78-F84 HydrophobicContact CG2-CD2 3.79Å
79E94.9Very high91.2Very high26 Ų2636.8 Ų36.812%0.12119%0.193CC..  trans-69.5167-179.3-78.8-70.4172.800112.6K25 C81 G82 A83 V85 Y88 M143K25-E79 WeakPolarHBondContact CE-O 3.38Å; E79-C81 PolarHBondContact O-N 2.92Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 2.88Å; E79-A83 PolarHBondContact N-O 3.21Å; E79-V85 HydrophobicContact CG-CG2 3.73Å; E79-Y88 VanDerWaalsContact CD-OH 3.28Å; E79-Y88 WeakPolarHBondContact CG-OH 3.12Å; E79-Y88 WeakPolarHBondContact OE1-CE1 3.32Å; E79-Y88 VanDerWaalsContact OE1-CZ 3.27Å; E79-Y88 PolarHBondContact OE1-OH 3.38Å; E79-M143 HydrophobicContact CB-CE 4.45Å; E79-M143 HydrophobicContact CB-SD 3.73Å; E79-M143 HydrophobicContact CG-CE 3.66Å; E79-M143 HydrophobicContact CG-SD 3.6Å; E79-M143 VanDerWaalsContact CG-SD 3.6Å
80D93.3Very high92.1Very high111 Ų11132.4 Ų32.459%0.59417%0.173SC*.THydrogen-bonded Turntrans-61.2-30.3-179-69.4-13.4000112.4K25 G82K25-D80 WeakPolarHBondContact CE-OD1 3.34Å; K25-D80 IonicContact NZ-OD1 3.98Å; K25-D80 PolarHBondContact NZ-OD1 3.42Å; D80-G82 PolarHBondContact O-N 3.46Å
81C93.1Very high92.9Very high13 Ų1328.2 Ų28.29%0.08815%0.152CC..THydrogen-bonded Turntrans-73.1-7171.769.70000114.2L4 M5 S8 E79 L142 M143L4-C81 CarbonylContact C-O 3.3Å; L4-C81 VanDerWaalsContact C-O 3.3Å; M5-C81 WeakPolarHBondContact CA-O 3.49Å; M5-C81 WeakPolarHBondContact CG-O 3.27Å; M5-C81 PolarHBondContact N-O 3.31Å; S8-C81 WeakPolarHBondContact OG-CA 3.27Å; E79-C81 PolarHBondContact O-N 2.92Å; C81-L142 HydrophobicContact CB-CB 3.82Å; C81-L142 HydrophobicContact CB-CD1 4.18Å; C81-M143 VanDerWaalsContact SG-SD 3.69Å
82G93.1Very high93.1Very high0 Ų028 Ų280%015%0.149CC..SBendtrans88.4-0.1-178.600000115.4M1 M5 E79 D80M1-G82 WeakPolarHBondContact CB-O 3.39Å; M5-G82 WeakPolarHBondContact CE-O 3.12Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 2.88Å; D80-G82 PolarHBondContact O-N 3.46Å
83A94.1Very high92.8Very high3 Ų329.2 Ų29.23%0.02516%0.161CC..PPolyproline II helixtrans-68.7134.9173.900000110.6V78 E79 F113 M143V78-A83 CarbonylContact C-O 3.53Å; V78-A83 WeakPolarHBondContact CA-O 3.37Å; E79-A83 PolarHBondContact N-O 3.21Å; A83-F113 HydrophobicContact CB-CE1 4.33Å; A83-F113 HydrophobicContact CB-CZ 4.41Å; A83-M143 HydrophobicContact CB-CG 4.05Å; A83-M143 HydrophobicContact CB-SD 4.31Å
84F93.6Very high92.6Very high8 Ų835.9 Ų35.94%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-89.7116.5173.1-177.1-88.8000109.7M1 I40 A43 R44 K47 P76 V78 D86 F113M1-F84 HydrophobicContact SD-CB 4.05Å; I40-F84 HydrophobicContact CG2-CE2 4.1Å; A43-F84 HydrophobicContact CB-CD2 3.57Å; A43-F84 HydrophobicContact CB-CE2 3.84Å; R44-F84 HydrophobicContact CB-CE1 4.36Å; R44-F84 HydrophobicContact CB-CE2 4.06Å; R44-F84 HydrophobicContact CB-CZ 3.6Å; R44-F84 HydrophobicContact CG-CE1 4.36Å; R44-F84 HydrophobicContact CG-CZ 3.94Å; K47-F84 HydrophobicContact CD-CD1 3.51Å; K47-F84 HydrophobicContact CD-CE1 4.09Å; K47-F84 HydrophobicContact CD-CG 4.35Å; P76-F84 HydrophobicContact CB-CZ 3.91Å; V78-F84 HydrophobicContact CG2-CD2 3.79Å; F84-D86 WeakPolarHBondContact CE1-OD1 3.5Å; F84-F113 WeakPolarHBondContact O-CD1 3.38Å; F84-F113 VanDerWaalsContact O-CE1 3.23Å; F84-F113 WeakPolarHBondContact O-CE1 3.35Å
85V94.8Very high92.4Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-99.6130.8177.9-178.10000108.9P76 N77 E79 A87 Y88 P111 F113 M143P76-V85 VanDerWaalsContact CA-O 3.25Å; P76-V85 WeakPolarHBondContact CA-O 3.46Å; P76-V85 WeakPolarHBondContact CB-O 3.36Å; N77-V85 PolarHBondContact N-O 3.45Å; N77-V85 VanDerWaalsContact N-O 3.08Å; N77-V85 PolarHBondContact O-N 3.44Å; E79-V85 HydrophobicContact CG-CG2 3.73Å; V85-A87 WeakPolarHBondContact CG1-O 2.96Å; V85-Y88 HydrophobicContact CB-CE1 4.26Å; V85-Y88 HydrophobicContact CB-CE2 3.85Å; V85-Y88 WeakPolarHBondContact CB-OH 3.42Å; V85-Y88 HydrophobicContact CG1-CD1 4.16Å; V85-Y88 HydrophobicContact CG1-CD2 4.02Å; V85-Y88 HydrophobicContact CG1-CE1 3.8Å; V85-Y88 HydrophobicContact CG1-CE2 3.57Å; V85-Y88 HydrophobicContact CG1-CG 4.27Å; V85-Y88 VanDerWaalsContact CG1-CZ 3.48Å; V85-Y88 HydrophobicContact CG2-CE1 4.21Å; V85-Y88 WeakPolarHBondContact CG2-OH 3.41Å; V85-P111 HydrophobicContact CB-CB 4.43Å; V85-P111 HydrophobicContact CG1-CB 3.5Å; V85-P111 VanDerWaalsContact CG1-CB 3.5Å; V85-P111 HydrophobicContact CG2-CB 3.99Å; V85-F113 HydrophobicContact CB-CZ 4.48Å; V85-F113 HydrophobicContact CG2-CE1 4.16Å; V85-F113 HydrophobicContact CG2-CE2 4.16Å; V85-F113 HydrophobicContact CG2-CZ 3.61Å; V85-M143 HydrophobicContact CG2-CE 4.14Å
86D93.6Very high92.2Very high2 Ų234.6 Ų34.61%0.01120%0.195CC..SBendtrans-79-33.4-177-64.1-72.8000113K47 Y48 F59 P76 F84 L112 F114K47-D86 IonicContact NZ-OD1 3.61Å; K47-D86 PolarHBondContact NZ-OD1 3.14Å; K47-D86 IonicContact NZ-OD2 3.8Å; K47-D86 PolarHBondContact NZ-OD2 2.64Å; Y48-D86 PolarHBondContact OH-OD1 2.85Å; Y48-D86 PolarHBondContact OH-OD2 2.92Å; F59-D86 HydrophobicContact CE1-CB 3.89Å; P76-D86 WeakPolarHBondContact CB-O 3.22Å; P76-D86 VanDerWaalsContact CG-O 3.23Å; P76-D86 WeakPolarHBondContact CG-O 3.37Å; F84-D86 WeakPolarHBondContact CE1-OD1 3.5Å; D86-L112 PolarHBondContact N-O 3Å; D86-F114 PolarHBondContact OD2-N 3.22Å
87A94.4Very high92Very high1 Ų138.7 Ų38.71%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-163.4161.9-179.300000110L63 V85 L112L63-A87 HydrophobicContact CD2-CB 3.58Å; V85-A87 WeakPolarHBondContact CG1-O 2.96Å; A87-L112 HydrophobicContact CB-CB 4.23Å; A87-L112 HydrophobicContact CB-CD1 4.06Å; A87-L112 HydrophobicContact CB-CG 4.39Å; A87-L112 WeakPolarHBondContact O-CB 3.43Å; A87-L112 PolarHBondContact O-N 3.41Å
88Y95.1Very high91.9Very high6 Ų637.4 Ų37.42%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-127.2143.5170-54.5-107000109.6C73 Q74 N77 E79 V85 W104 P109 R110 P111C73-Y88 VanDerWaalsContact CA-O 3.26Å; C73-Y88 WeakPolarHBondContact CA-O 3.49Å; C73-Y88 PolarHBondContact SG-O 2.82Å; Q74-Y88 HydrophobicContact CB-CD2 4.22Å; Q74-Y88 PolarHBondContact N-O 2.78Å; Q74-Y88 PolarHBondContact O-N 3.34Å; N77-Y88 HydrophobicContact CB-CE2 4.01Å; E79-Y88 VanDerWaalsContact CD-OH 3.28Å; E79-Y88 WeakPolarHBondContact CG-OH 3.12Å; E79-Y88 WeakPolarHBondContact OE1-CE1 3.32Å; E79-Y88 VanDerWaalsContact OE1-CZ 3.27Å; E79-Y88 PolarHBondContact OE1-OH 3.38Å; V85-Y88 HydrophobicContact CB-CE1 4.26Å; V85-Y88 HydrophobicContact CB-CE2 3.85Å; V85-Y88 WeakPolarHBondContact CB-OH 3.42Å; V85-Y88 HydrophobicContact CG1-CD1 4.16Å; V85-Y88 HydrophobicContact CG1-CD2 4.02Å; V85-Y88 HydrophobicContact CG1-CE1 3.8Å; V85-Y88 HydrophobicContact CG1-CE2 3.57Å; V85-Y88 HydrophobicContact CG1-CG 4.27Å; V85-Y88 VanDerWaalsContact CG1-CZ 3.48Å; V85-Y88 HydrophobicContact CG2-CE1 4.21Å; V85-Y88 WeakPolarHBondContact CG2-OH 3.41Å; Y88-W104 WeakPolarHBondContact O-CH2 3.41Å; Y88-P109 HydrophobicContact CD1-CG 3.89Å; Y88-P109 HydrophobicContact CG-CG 4.34Å; Y88-R110 WeakPolarHBondContact CA-O 3.47Å; Y88-P111 HydrophobicContact CD1-CB 3.86Å; Y88-P111 HydrophobicContact CE1-CB 3.83Å
89V95.4Very high91.8Very high0 Ų038.6 Ų38.60%022%0.215CC..EExtended strand (participates in β ladder)trans-138.2158.3176-65.10000109.9L63 A67 C73 L98 R110 L112 I175L63-V89 HydrophobicContact CD1-CG1 4.12Å; A67-V89 HydrophobicContact CB-CG1 4.03Å; C73-V89 HydrophobicContact CB-CG1 4.49Å; V89-L98 HydrophobicContact CB-CD1 4.32Å; V89-L98 HydrophobicContact CB-CD2 4.21Å; V89-L98 HydrophobicContact CG1-CD1 4.19Å; V89-R110 HydrophobicContact CG2-CB 4.43Å; V89-R110 PolarHBondContact N-O 3.45Å; V89-R110 PolarHBondContact O-N 3.34Å; V89-L112 HydrophobicContact CG1-CD1 3.9Å; V89-L112 HydrophobicContact CG2-CD1 4.05Å; V89-L112 HydrophobicContact CG2-CD2 3.82Å; V89-L112 HydrophobicContact CG2-CG 4.1Å; V89-I175 HydrophobicContact CG2-CD1 4.24Å; V89-I175 HydrophobicContact CG2-CG1 4.18Å; V89-I175 HydrophobicContact CG2-CG2 3.65Å
90M94.4Very high91.7Very high9 Ų939.4 Ų39.44%0.04422%0.22CC..  trans-123.5105.6174.3-172165-64.100109.6L98 V99 W104 K107 P109M90-L98 CarbonylContact O-C 3.57Å; M90-L98 WeakPolarHBondContact O-CA 3.39Å; M90-V99 HydrophobicContact CB-CB 4.14Å; M90-V99 HydrophobicContact CG-CB 4.09Å; M90-V99 HydrophobicContact CG-CG2 4.21Å; M90-V99 PolarHBondContact O-N 2.61Å; M90-V99 HydrophobicContact SD-CB 4.42Å; M90-W104 HydrophobicContact CB-CD2 4.13Å; M90-W104 HydrophobicContact CB-CG 4.21Å; M90-W104 HydrophobicContact CB-CZ2 4.12Å; M90-W104 VanDerWaalsContact CB-NE1 3.34Å; M90-W104 HydrophobicContact CE-CB 3.5Å; M90-W104 VanDerWaalsContact CE-CB 3.5Å; M90-W104 HydrophobicContact CE-CD2 3.77Å; M90-W104 HydrophobicContact CE-CE3 4.21Å; M90-W104 HydrophobicContact CE-CG 3.43Å; M90-W104 VanDerWaalsContact CE-CG 3.43Å; M90-W104 HydrophobicContact SD-CB 3.96Å; M90-W104 VanDerWaalsContact SD-CD1 3.6Å; M90-W104 HydrophobicContact SD-CD2 4.47Å; M90-W104 HydrophobicContact SD-CG 3.76Å; M90-K107 HydrophobicContact CE-CB 3.59Å; M90-K107 WeakPolarHBondContact CE-O 3.31Å; M90-K107 HydrophobicContact SD-CB 3.89Å; M90-K107 HydrophobicContact SD-CD 4.03Å; M90-P109 HydrophobicContact CE-CB 4.08Å
91P93Very high91.6Very high29 Ų2935.7 Ų35.719%0.18820%0.201CC..BIsolated β-bridgetrans-69.4139.5173.529.5-33.6000110.3L98 R110 I175P91-L98 HydrophobicContact CB-CD2 4.44Å; P91-R110 HydrophobicContact CG-CG 4.27Å; P91-I175 HydrophobicContact CB-CG2 4.26Å
92D89.5Confident91.5Very high49 Ų4939.7 Ų39.726%0.26223%0.229SC..  trans-70.9125.8167.4178.6-3000108.7N94 S95 L97 V99D92-N94 PolarHBondContact O-N 3.48Å; D92-N94 PolarHBondContact OD1-N 3.44Å; D92-S95 VanDerWaalsContact CB-OG 3.29Å; D92-S95 WeakPolarHBondContact CB-OG 3.34Å; D92-S95 VanDerWaalsContact CG-OG 3.22Å; D92-S95 WeakPolarHBondContact OD2-CB 3.47Å; D92-S95 PolarHBondContact OD2-OG 2.82Å; D92-L97 WeakPolarHBondContact CB-O 3.47Å; D92-L97 PolarHBondContact N-O 2.53Å; D92-V99 HydrophobicContact CB-CG2 4Å
93P84.9Confident91.4Very high76 Ų7646.1 Ų46.149%0.49426%0.259SS..THydrogen-bonded Turntrans-63.6-19.4179.525.3-35.9000114.6
94N86Confident91.2Very high150 Ų15046.4 Ų46.480%0.80226%0.26SS*.THydrogen-bonded Turntrans-109.5-5.5-173-60.9-38000113.6D92D92-N94 PolarHBondContact O-N 3.48Å; D92-N94 PolarHBondContact OD1-N 3.44Å
95S86.4Confident90.9Very high35 Ų3549.6 Ų49.625%0.24530%0.295CS..SBendtrans-141.7170.9-179.5770000111.1D92 L97 H176D92-S95 VanDerWaalsContact CB-OG 3.29Å; D92-S95 WeakPolarHBondContact CB-OG 3.34Å; D92-S95 VanDerWaalsContact CG-OG 3.22Å; D92-S95 WeakPolarHBondContact OD2-CB 3.47Å; D92-S95 PolarHBondContact OD2-OG 2.82Å; S95-L97 PolarHBondContact O-N 3.28Å; S95-L97 WeakPolarHBondContact OG-CB 3.48Å; S95-L97 PolarHBondContact OG-N 3.41Å; S95-H176 PolarHBondContact O-CD2 3.11Å
96N84.1Confident90.4Very high120 Ų12055.6 Ų55.664%0.64234%0.337SS*.SBendtrans-8921.9173.6-68.2-25.2000112.1H176N96-H176 VanDerWaalsContact C-NE2 3.26Å; N96-H176 PolarHBondContact O-CE1 3.01Å; N96-H176 PolarHBondContact O-NE2 3.27Å
97L88.9Confident90.1Very high122 Ų12262 Ų6264%0.63937%0.365SS*.SBendtrans-106.4161.7-177.6-57.2178.8000111.2D92 S95 H176D92-L97 WeakPolarHBondContact CB-O 3.47Å; D92-L97 PolarHBondContact N-O 2.53Å; S95-L97 PolarHBondContact O-N 3.28Å; S95-L97 WeakPolarHBondContact OG-CB 3.48Å; S95-L97 PolarHBondContact OG-N 3.41Å; L97-H176 PolarHBondContact O-NE2 3.27Å
98L92.8Very high89.8Confident24 Ų2467.8 Ų67.813%0.12639%0.389CS..BIsolated β-bridgetrans-94.8145173.7-62.5179.3000110.5A67 H72 V89 M90 P91 I175A67-L98 HydrophobicContact CB-CD1 3.26Å; H72-L98 HydrophobicContact CB-CB 4.15Å; H72-L98 PolarHBondContact CD2-O 3.46Å; H72-L98 VanDerWaalsContact CD2-O 3.27Å; V89-L98 HydrophobicContact CB-CD1 4.32Å; V89-L98 HydrophobicContact CB-CD2 4.21Å; V89-L98 HydrophobicContact CG1-CD1 4.19Å; M90-L98 CarbonylContact O-C 3.57Å; M90-L98 WeakPolarHBondContact O-CA 3.39Å; P91-L98 HydrophobicContact CB-CD2 4.44Å; L98-I175 HydrophobicContact CD2-CG2 3.81Å
99V93Very high89.8Confident27 Ų2768.3 Ų68.316%0.16439%0.394CS..PPolyproline II helixtrans-81.9137.4174.3-175.90000109.1M90 D92 Q103 W104M90-V99 HydrophobicContact CB-CB 4.14Å; M90-V99 HydrophobicContact CG-CB 4.09Å; M90-V99 HydrophobicContact CG-CG2 4.21Å; M90-V99 PolarHBondContact O-N 2.61Å; M90-V99 HydrophobicContact SD-CB 4.42Å; D92-V99 HydrophobicContact CB-CG2 4Å; V99-Q103 HydrophobicContact CG1-CB 3.79Å; V99-W104 PolarHBondContact O-NE1 3.08Å
100N92.4Very high89.8Confident43 Ų4369.4 Ų69.423%0.2340%0.398CS..PPolyproline II helixtrans-62.3141177-172.7-69000111.3T71 S102 Q103 W104T71-N100 CarbonylContact O-C 3.42Å; T71-N100 WeakPolarHBondContact O-CA 3.49Å; T71-N100 PolarHBondContact O-ND2 3.28Å; T71-N100 PolarHBondContact O-OD1 2.88Å; N100-S102 PolarHBondContact O-N 3.49Å; N100-S102 VanDerWaalsContact O-N 3.17Å; N100-S102 WeakPolarHBondContact OD1-CB 3.13Å; N100-S102 PolarHBondContact OD1-N 2.82Å; N100-S102 PolarHBondContact OD1-OG 3.45Å; N100-Q103 HydrophobicContact CB-CG 4.45Å; N100-Q103 WeakPolarHBondContact O-CA 3.25Å; N100-Q103 WeakPolarHBondContact O-CB 3.42Å; N100-Q103 PolarHBondContact O-N 3.11Å; N100-W104 PolarHBondContact O-NE1 2.84Å
101T91.7Very high89.8Confident33 Ų3369 Ų6920%0.20240%0.396CS..G310 helixtrans-53.6-36.1-178.552.80000112.9D70 T71 Q74 Q103 W104D70-T101 PolarHBondContact O-OG1 2.98Å; T71-T101 PolarHBondContact O-N 2.68Å; T71-T101 PolarHBondContact O-OG1 3.27Å; Q74-T101 HydrophobicContact CG-CG2 4.08Å; T101-Q103 PolarHBondContact O-N 2.85Å; T101-W104 HydrophobicContact CG2-CH2 4.09Å; T101-W104 HydrophobicContact CG2-CZ2 3.66Å; T101-W104 PolarHBondContact O-N 3Å
102S90.1Very high89.9Confident97 Ų9767.6 Ų67.668%0.67839%0.387SS*.G310 helixtrans-64.5-19.4176.362.10000114.2N100N100-S102 PolarHBondContact O-N 3.49Å; N100-S102 VanDerWaalsContact O-N 3.17Å; N100-S102 WeakPolarHBondContact OD1-CB 3.13Å; N100-S102 PolarHBondContact OD1-N 2.82Å; N100-S102 PolarHBondContact OD1-OG 3.45Å
103Q91.1Very high90.1Very high134 Ų13465.3 Ų65.363%0.62638%0.375SS*.G310 helixtrans-105.73.5-175.9-62.1176.6-12.800112.8V99 N100 T101 G105V99-Q103 HydrophobicContact CG1-CB 3.79Å; N100-Q103 HydrophobicContact CB-CG 4.45Å; N100-Q103 WeakPolarHBondContact O-CA 3.25Å; N100-Q103 WeakPolarHBondContact O-CB 3.42Å; N100-Q103 PolarHBondContact O-N 3.11Å; T101-Q103 PolarHBondContact O-N 2.85Å; Q103-G105 VanDerWaalsContact C-N 3.25Å; Q103-G105 PolarHBondContact O-N 2.73Å
104W91.1Very high90.4Very high10 Ų1061.7 Ų61.74%0.03835%0.351CS..  trans-65.1-31.4-178.5-71.38.9000112.4Q74 Y88 M90 V99 N100 T101 S106 K107 P109Q74-W104 HydrophobicContact CB-CH2 3.95Å; Q74-W104 HydrophobicContact CB-CZ3 3.98Å; Q74-W104 HydrophobicContact CG-CE3 4.15Å; Q74-W104 HydrophobicContact CG-CH2 3.59Å; Q74-W104 HydrophobicContact CG-CZ3 3.37Å; Q74-W104 VanDerWaalsContact OE1-CZ3 3.27Å; Y88-W104 WeakPolarHBondContact O-CH2 3.41Å; M90-W104 HydrophobicContact CB-CD2 4.13Å; M90-W104 HydrophobicContact CB-CG 4.21Å; M90-W104 HydrophobicContact CB-CZ2 4.12Å; M90-W104 VanDerWaalsContact CB-NE1 3.34Å; M90-W104 HydrophobicContact CE-CB 3.5Å; M90-W104 VanDerWaalsContact CE-CB 3.5Å; M90-W104 HydrophobicContact CE-CD2 3.77Å; M90-W104 HydrophobicContact CE-CE3 4.21Å; M90-W104 HydrophobicContact CE-CG 3.43Å; M90-W104 VanDerWaalsContact CE-CG 3.43Å; M90-W104 HydrophobicContact SD-CB 3.96Å; M90-W104 VanDerWaalsContact SD-CD1 3.6Å; M90-W104 HydrophobicContact SD-CD2 4.47Å; M90-W104 HydrophobicContact SD-CG 3.76Å; V99-W104 PolarHBondContact O-NE1 3.08Å; N100-W104 PolarHBondContact O-NE1 2.84Å; T101-W104 HydrophobicContact CG2-CH2 4.09Å; T101-W104 HydrophobicContact CG2-CZ2 3.66Å; T101-W104 PolarHBondContact O-N 3Å; W104-S106 PolarHBondContact O-N 3.36Å; W104-K107 WeakPolarHBondContact O-CB 3.48Å; W104-K107 PolarHBondContact O-N 2.86Å; W104-P109 HydrophobicContact CD2-CB 4.34Å; W104-P109 HydrophobicContact CE3-CB 3.63Å; W104-P109 HydrophobicContact CE3-CG 3.87Å; W104-P109 HydrophobicContact CH2-CB 3.86Å; W104-P109 HydrophobicContact CZ3-CB 3.32Å; W104-P109 HydrophobicContact CZ3-CG 3.6Å
105G87.3Confident90.4Very high75 Ų7554.6 Ų54.677%0.77331%0.313SS*.THydrogen-bonded Turntrans55.8-129.4179.800000111.6Q103Q103-G105 VanDerWaalsContact C-N 3.25Å; Q103-G105 PolarHBondContact O-N 2.73Å
106S83.4Confident90.1Very high126 Ų12653 Ų5388%0.88130%0.302SS*.THydrogen-bonded Turntrans-91.81.9176.558.60000114.2W104W104-S106 PolarHBondContact O-N 3.36Å
107K86.7Confident89.2Confident136 Ų13652.4 Ų52.459%0.59129%0.291SS*.SBendtrans-70.6138.3179.8-65.8179.2-179.2176.50109.7M90 W104 P109M90-K107 HydrophobicContact CE-CB 3.59Å; M90-K107 WeakPolarHBondContact CE-O 3.31Å; M90-K107 HydrophobicContact SD-CB 3.89Å; M90-K107 HydrophobicContact SD-CD 4.03Å; W104-K107 WeakPolarHBondContact O-CB 3.48Å; W104-K107 PolarHBondContact O-N 2.86Å; K107-P109 WeakPolarHBondContact O-CD 3.45Å
108K89.5Confident88.1Confident122 Ų12253.8 Ų53.853%0.5330%0.299SS..PPolyproline II helixtrans-73120173.6-72.4-176.1178.71740109.3A146 G147 F148K108-A146 PolarHBondContact NZ-O 2.88Å; K108-G147 WeakPolarHBondContact CD-O 3.36Å; K108-F148 HydrophobicContact CB-CD1 4.18Å; K108-F148 HydrophobicContact CB-CE1 4.2Å; K108-F148 HydrophobicContact CD-CD1 4.43Å; K108-F148 HydrophobicContact CD-CE1 4.42Å; K108-F148 HydrophobicContact CG-CE1 4.34Å
109P93.9Very high86.8Confident18 Ų1854.7 Ų54.712%0.11730%0.302CS..PPolyproline II helixtrans-69.2160.6172.832.5-36.6000110.2Y88 M90 W104 K107 P111 F148Y88-P109 HydrophobicContact CD1-CG 3.89Å; Y88-P109 HydrophobicContact CG-CG 4.34Å; M90-P109 HydrophobicContact CE-CB 4.08Å; W104-P109 HydrophobicContact CD2-CB 4.34Å; W104-P109 HydrophobicContact CE3-CB 3.63Å; W104-P109 HydrophobicContact CE3-CG 3.87Å; W104-P109 HydrophobicContact CH2-CB 3.86Å; W104-P109 HydrophobicContact CZ3-CB 3.32Å; W104-P109 HydrophobicContact CZ3-CG 3.6Å; K107-P109 WeakPolarHBondContact O-CD 3.45Å; P109-P111 WeakPolarHBondContact O-CD 3.33Å; P109-F148 WeakPolarHBondContact O-CD1 3.26Å
110R94.9Very high85.2Confident22 Ų2253.9 Ų53.98%0.08330%0.297CS..EExtended strand (participates in β ladder)trans-81.3117.3172.8-64.7-16978.8171.710.4109.3Y88 V89 P91 D149 V151 I175 K177Y88-R110 WeakPolarHBondContact CA-O 3.47Å; V89-R110 HydrophobicContact CG2-CB 4.43Å; V89-R110 PolarHBondContact N-O 3.45Å; V89-R110 PolarHBondContact O-N 3.34Å; P91-R110 HydrophobicContact CG-CG 4.27Å; R110-D149 IonicContact CZ-OD2 2.64Å; R110-D149 PolarHBondContact NE-O 2.94Å; R110-D149 IonicContact NE-OD2 2.61Å; R110-D149 PolarHBondContact NE-OD2 2.98Å; R110-D149 IonicContact NH1-OD2 3.48Å; R110-D149 VanDerWaalsContact NH2-CG 3.29Å; R110-D149 IonicContact NH2-OD1 2.82Å; R110-D149 PolarHBondContact NH2-OD1 2.84Å; R110-D149 IonicContact NH2-OD2 3.49Å; R110-D149 PolarHBondContact NH2-OD2 3.03Å; R110-V151 HydrophobicContact CB-CG2 4.45Å; R110-I175 PolarHBondContact NH1-O 3.01Å; R110-K177 PolarHBondContact NH1-O 3.32Å; R110-K177 PolarHBondContact NH2-O 3.25Å; R110-K177 VanDerWaalsContact NH2-O 3.15Å
111P95.9Very high83.3Confident0 Ų056.7 Ų56.70%031%0.307CS..EExtended strand (participates in β ladder)trans-75.6136174.629.9-31.3000109.9V85 Y88 P109 F113 M143 F148 P150 V151V85-P111 HydrophobicContact CB-CB 4.43Å; V85-P111 HydrophobicContact CG1-CB 3.5Å; V85-P111 VanDerWaalsContact CG1-CB 3.5Å; V85-P111 HydrophobicContact CG2-CB 3.99Å; Y88-P111 HydrophobicContact CD1-CB 3.86Å; Y88-P111 HydrophobicContact CE1-CB 3.83Å; P109-P111 WeakPolarHBondContact O-CD 3.33Å; P111-F113 HydrophobicContact CB-CE2 3.84Å; P111-F113 HydrophobicContact CG-CE2 4.04Å; P111-M143 HydrophobicContact CB-CE 4.04Å; P111-M143 HydrophobicContact CG-CE 3.75Å; P111-F148 HydrophobicContact CG-CB 3.93Å; P111-F148 HydrophobicContact CG-CD1 4.2Å; P111-F148 HydrophobicContact CG-CG 4.28Å; P111-P150 HydrophobicContact CG-CB 3.96Å; P111-P150 WeakPolarHBondContact O-CA 3.37Å; P111-V151 PolarHBondContact O-N 3.47Å
112L95.3Very high81.1Confident1 Ų160.9 Ų60.91%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-102.8130.6177.6-51.6-176000109.5F59 L63 D86 A87 V89 V151 I175F59-L112 HydrophobicContact CE2-CD1 4.48Å; F59-L112 HydrophobicContact CZ-CB 3.77Å; F59-L112 HydrophobicContact CZ-CD1 3.87Å; F59-L112 HydrophobicContact CZ-CG 4.47Å; L63-L112 HydrophobicContact CD1-CD1 3.68Å; L63-L112 HydrophobicContact CD2-CD1 3.74Å; L63-L112 HydrophobicContact CG-CD1 4.38Å; D86-L112 PolarHBondContact N-O 3Å; A87-L112 HydrophobicContact CB-CB 4.23Å; A87-L112 HydrophobicContact CB-CD1 4.06Å; A87-L112 HydrophobicContact CB-CG 4.39Å; A87-L112 WeakPolarHBondContact O-CB 3.43Å; A87-L112 PolarHBondContact O-N 3.41Å; V89-L112 HydrophobicContact CG1-CD1 3.9Å; V89-L112 HydrophobicContact CG2-CD1 4.05Å; V89-L112 HydrophobicContact CG2-CD2 3.82Å; V89-L112 HydrophobicContact CG2-CG 4.1Å; L112-V151 WeakPolarHBondContact CA-O 3.29Å; L112-V151 HydrophobicContact CD2-CB 3.57Å; L112-V151 HydrophobicContact CD2-CG1 4.15Å; L112-V151 HydrophobicContact CD2-CG2 3.92Å; L112-I175 HydrophobicContact CD1-CD1 4.32Å; L112-I175 HydrophobicContact CD2-CD1 4.5Å; L112-I175 HydrophobicContact CD2-CG1 4.01Å
113F93.1Very high78.9Confident0 Ų064.4 Ų64.40%034%0.336CS..EExtended strand (participates in β ladder)trans-118.1114.2176.4-69.4-97.1000108.8A83 F84 V85 P111 Y115 L140 M143 P150 V151 V152 V153A83-F113 HydrophobicContact CB-CE1 4.33Å; A83-F113 HydrophobicContact CB-CZ 4.41Å; F84-F113 WeakPolarHBondContact O-CD1 3.38Å; F84-F113 VanDerWaalsContact O-CE1 3.23Å; F84-F113 WeakPolarHBondContact O-CE1 3.35Å; V85-F113 HydrophobicContact CB-CZ 4.48Å; V85-F113 HydrophobicContact CG2-CE1 4.16Å; V85-F113 HydrophobicContact CG2-CE2 4.16Å; V85-F113 HydrophobicContact CG2-CZ 3.61Å; P111-F113 HydrophobicContact CB-CE2 3.84Å; P111-F113 HydrophobicContact CG-CE2 4.04Å; F113-Y115 HydrophobicContact CB-CE2 3.81Å; F113-Y115 WeakPolarHBondContact CD1-OH 3.19Å; F113-L140 HydrophobicContact CB-CD2 4.32Å; F113-L140 HydrophobicContact CD1-CD2 4.14Å; F113-L140 HydrophobicContact CD2-CD2 3.56Å; F113-L140 HydrophobicContact CE1-CD2 4.36Å; F113-L140 HydrophobicContact CE2-CD2 3.82Å; F113-L140 HydrophobicContact CG-CD2 3.74Å; F113-L140 HydrophobicContact CZ-CD2 4.21Å; F113-M143 HydrophobicContact CE2-CG 4.4Å; F113-M143 HydrophobicContact CZ-CG 3.88Å; F113-P150 HydrophobicContact CD2-CB 3.86Å; F113-P150 HydrophobicContact CE2-CB 3.71Å; F113-V151 PolarHBondContact N-O 3.46Å; F113-V152 HydrophobicContact CB-CG2 4.47Å; F113-V152 CarbonylContact O-C 3.55Å; F113-V152 WeakPolarHBondContact O-CA 3.38Å; F113-V153 PolarHBondContact O-N 3.49Å
114F90.8Very high76.4Confident0 Ų061.9 Ų61.90%033%0.33CS..EExtended strand (participates in β ladder)trans-95.5135.9170.4178.8-111000110.3K47 Y48 C55 F59 D86 V153 K155 L158K47-F114 WeakPolarHBondContact CE-O 3.33Å; K47-F114 PolarHBondContact NZ-O 2.92Å; Y48-F114 AromaticContact CE1-CD1 3.84Å; Y48-F114 HydrophobicContact CE1-CD1 3.84Å; Y48-F114 HydrophobicContact CE1-CE1 4.29Å; Y48-F114 PolarHBondContact OH-O 3.5Å; C55-F114 HydrophobicContact CB-CD1 3.92Å; C55-F114 HydrophobicContact CB-CE1 4.14Å; F59-F114 HydrophobicContact CB-CB 4.13Å; F59-F114 HydrophobicContact CB-CD1 4.01Å; F59-F114 HydrophobicContact CB-CD2 3.53Å; F59-F114 HydrophobicContact CB-CE1 4.31Å; F59-F114 HydrophobicContact CB-CE2 3.87Å; F59-F114 HydrophobicContact CB-CG 3.6Å; F59-F114 HydrophobicContact CB-CZ 4.24Å; F59-F114 HydrophobicContact CD1-CB 3.59Å; F59-F114 HydrophobicContact CD1-CG 4.03Å; F59-F114 HydrophobicContact CD2-CB 4.16Å; F59-F114 HydrophobicContact CD2-CD2 4.04Å; F59-F114 HydrophobicContact CD2-CG 4.32Å; F59-F114 HydrophobicContact CE1-CB 4.01Å; F59-F114 HydrophobicContact CG-CB 3.67Å; F59-F114 HydrophobicContact CG-CD1 4.48Å; F59-F114 AromaticContact CG-CD2 3.79Å; F59-F114 HydrophobicContact CG-CD2 3.79Å; F59-F114 AromaticContact CG-CG 3.72Å; F59-F114 HydrophobicContact CG-CG 3.72Å; F59-F114 HydrophobicContact CZ-CB 4.47Å; D86-F114 PolarHBondContact OD2-N 3.22Å; F114-V153 CarbonylContact C-O 3.59Å; F114-V153 WeakPolarHBondContact CA-O 3.17Å; F114-V153 HydrophobicContact CD2-CB 4.36Å; F114-V153 HydrophobicContact CD2-CG1 4.23Å; F114-V153 WeakPolarHBondContact CD2-O 3.02Å; F114-K155 HydrophobicContact CE2-CB 4.14Å; F114-K155 HydrophobicContact CZ-CB 3.88Å; F114-K155 HydrophobicContact CZ-CG 4.32Å; F114-L158 HydrophobicContact CE2-CD1 3.88Å
115Y86.9Confident74.1Confident1 Ų171.4 Ų71.40%0.00438%0.375CS..EExtended strand (participates in β ladder)trans-127.6126.6174.1-62.6-63.4000111.5F113 Q119 T120 T132 E136 L140 V152 V153 F154 K155F113-Y115 HydrophobicContact CB-CE2 3.81Å; F113-Y115 WeakPolarHBondContact CD1-OH 3.19Å; Y115-Q119 VanDerWaalsContact CA-OE1 3.31Å; Y115-Q119 HydrophobicContact CD1-CB 4.3Å; Y115-T120 VanDerWaalsContact CB-CG2 3.5Å; Y115-T120 HydrophobicContact CG-CG2 4.18Å; Y115-T132 HydrophobicContact CD2-CG2 3.59Å; Y115-T132 HydrophobicContact CE2-CG2 3.37Å; Y115-T132 HydrophobicContact CG-CG2 4.45Å; Y115-E136 HydrophobicContact CD1-CG 4.32Å; Y115-E136 HydrophobicContact CE1-CB 3.82Å; Y115-E136 HydrophobicContact CE1-CG 3.54Å; Y115-E136 WeakPolarHBondContact CE1-OE2 3.22Å; Y115-E136 PolarHBondContact OH-OE2 2.99Å; Y115-L140 HydrophobicContact CE2-CD1 4.37Å; Y115-V152 HydrophobicContact CD2-CG1 3.63Å; Y115-V152 HydrophobicContact CE2-CG1 3.79Å; Y115-V153 PolarHBondContact N-O 3.27Å; Y115-F154 HydrophobicContact CD2-CD1 4.36Å; Y115-F154 AromaticContact CD2-CE1 3.9Å; Y115-F154 HydrophobicContact CD2-CE1 3.9Å; Y115-F154 HydrophobicContact CG-CE1 4.4Å; Y115-K155 PolarHBondContact O-N 3.48Å
116G79.2Confident71.9Confident2 Ų272.3 Ų72.32%0.02137%0.365CS..  trans-85.9171.817200000113.2L118 Q119G116-L118 PolarHBondContact O-N 2.74Å; G116-L118 VanDerWaalsContact O-N 3.09Å; G116-Q119 WeakPolarHBondContact O-CB 3.37Å; G116-Q119 PolarHBondContact O-N 3.37Å
117W65.6Low70Confident107 Ų10771.6 Ų71.641%0.40536%0.361SS..THydrogen-bonded Turntrans-58.6-27.7-171.3-173-95.7000115.2K121 E129 T156W117-K121 VanDerWaalsContact O-CE 3.23Å; W117-K121 WeakPolarHBondContact O-CE 3.38Å; W117-K121 WeakPolarHBondContact O-CG 3.35Å; W117-E129 WeakPolarHBondContact CA-OE1 3.36Å; W117-T156 HydrophobicContact CE3-CG2 3.48Å; W117-T156 VanDerWaalsContact CE3-CG2 3.48Å; W117-T156 HydrophobicContact CZ3-CG2 3.31Å
118L64.8Low67.9Low152 Ų15266.9 Ų66.980%0.79635%0.35SS*.THydrogen-bonded Turntrans-96.2-6.9-179.4-66.3173.8000113.3G116G116-L118 PolarHBondContact O-N 2.74Å; G116-L118 VanDerWaalsContact O-N 3.09Å
119Q67.1Low66Low43 Ų4362.2 Ų62.220%0.20133%0.33CS..THydrogen-bonded Turntrans-92.7-19.8-176-65.1174.1-27.100112.8K47 Y115 G116K47-Q119 PolarHBondContact O-NE2 3.05Å; Y115-Q119 VanDerWaalsContact CA-OE1 3.31Å; Y115-Q119 HydrophobicContact CD1-CB 4.3Å; G116-Q119 WeakPolarHBondContact O-CB 3.37Å; G116-Q119 PolarHBondContact O-N 3.37Å
120T57.7Low63.9Low10 Ų1067.4 Ų67.46%0.06136%0.356CS..SBendtrans-101.5-3-175.354.70000113.7Y115 Q122 E129 F154Y115-T120 VanDerWaalsContact CB-CG2 3.5Å; Y115-T120 HydrophobicContact CG-CG2 4.18Å; T120-Q122 PolarHBondContact O-N 2.51Å; T120-E129 WeakPolarHBondContact OG1-CG 3.38Å; T120-F154 HydrophobicContact CG2-CD1 3.72Å; T120-F154 HydrophobicContact CG2-CE1 3.58Å
121K52.9Low62.2Low101 Ų10171.9 Ų71.944%0.43938%0.381SS..  trans-82.3117.5-171.5-70.7-170.4177.1-160.10112.9W117W117-K121 VanDerWaalsContact O-CE 3.23Å; W117-K121 WeakPolarHBondContact O-CE 3.38Å; W117-K121 WeakPolarHBondContact O-CG 3.35Å
122Q45.9Very low60.9Low122 Ų12272.7 Ų72.757%0.5739%0.386SS*.  -67.2142.1129.6-76.7-178.5-23.900107.2T120 T124 V133T120-Q122 PolarHBondContact O-N 2.51Å; Q122-T124 HydrophobicContact CB-CG2 4.42Å; Q122-T124 PolarHBondContact O-N 2.66Å; Q122-V133 HydrophobicContact CG-CB 4.44Å; Q122-V133 HydrophobicContact CG-CG1 4.14Å; Q122-V133 HydrophobicContact CG-CG2 4.09Å
123N43.4Very low59.8Low171 Ų17174.5 Ų74.591%0.91440%0.397SS*.SBendtrans-6670.6165.9-76.9-25.9000109.4
124T40.1Very low59.3Low81 Ų8177 Ų7750%0.49742%0.423SS..  trans-121.8133.3169.543.40000107.5Q122 T126Q122-T124 HydrophobicContact CB-CG2 4.42Å; Q122-T124 PolarHBondContact O-N 2.66Å; T124-T126 PolarHBondContact O-N 3.07Å; T124-T126 PolarHBondContact OG1-OG1 2.61Å
125E41.8Very low58.9Low209 Ų20980.1 Ų80.198%0.97744%0.438SS*.SBendtrans-62.79-174.1-60.6-178.6152.500114.5S127E125-S127 PolarHBondContact O-N 2.75Å
126T41.8Very low58.9Low94 Ų9481.8 Ų81.858%0.57745%0.446SS*.  trans-80.3116.8176.541.60000110.5T124 G128T124-T126 PolarHBondContact O-N 3.07Å; T124-T126 PolarHBondContact OG1-OG1 2.61Å; T126-G128 PolarHBondContact O-N 2.82Å
127S41.8Very low59.3Low112 Ų11286.9 Ų86.978%0.78347%0.469SS*.SBendtrans-69.135.2-177.755.20000115.3E125E125-S127 PolarHBondContact O-N 2.75Å
128G44.2Very low60.4Low36 Ų3683.9 Ų83.937%0.37146%0.46SS..SBendtrans-146.2137.9-178.500000113.9T126 I130T126-G128 PolarHBondContact O-N 2.82Å; G128-I130 VanDerWaalsContact C-N 3.26Å; G128-I130 PolarHBondContact O-N 3.13Å
129E48.8Very low61.7Low24 Ų2476.7 Ų76.711%0.11242%0.423CS..  trans-74.674.5171.4-60.4-170.3-176.600109.6W117 T120 F154 T156W117-E129 WeakPolarHBondContact CA-OE1 3.36Å; T120-E129 WeakPolarHBondContact OG1-CG 3.38Å; E129-F154 HydrophobicContact CB-CD1 4.24Å; E129-F154 HydrophobicContact CB-CG 4.36Å; E129-F154 WeakPolarHBondContact OE2-CB 3.42Å; E129-F154 WeakPolarHBondContact OE2-CD1 3.38Å; E129-F154 WeakPolarHBondContact OE2-CG 3.4Å; E129-T156 HydrophobicContact CG-CG2 3.78Å
130I50.3Low63Low128 Ų12874.8 Ų74.866%0.65641%0.414SS*.  trans-89.5-21.6-168.6-62.9175.4000112.9G128G128-I130 VanDerWaalsContact C-N 3.26Å; G128-I130 PolarHBondContact O-N 3.13Å
131N59.3Low64.6Low115 Ų11578.6 Ų78.662%0.61543%0.428SS*.  trans-156.1138.6173.5-77.4-55.9000112.4V133N131-V133 PolarHBondContact O-N 2.67Å
132T67.3Low66.6Low18 Ų1873.8 Ų73.811%0.1141%0.407CS..  trans-62.9131.1162.452.50000108.8Y115 Q137 L140 V152 F154Y115-T132 HydrophobicContact CD2-CG2 3.59Å; Y115-T132 HydrophobicContact CE2-CG2 3.37Å; Y115-T132 HydrophobicContact CG-CG2 4.45Å; T132-Q137 VanDerWaalsContact O-CB 3.3Å; T132-Q137 WeakPolarHBondContact O-CB 3.33Å; T132-Q137 WeakPolarHBondContact O-CG 3.48Å; T132-L140 HydrophobicContact CG2-CD1 3.89Å; T132-L140 WeakPolarHBondContact OG1-CD1 3.47Å; T132-V152 HydrophobicContact CG2-CG1 4.35Å; T132-F154 HydrophobicContact CG2-CE1 3.92Å; T132-F154 HydrophobicContact CG2-CZ 3.93Å
133V73Confident69Low39 Ų3968 Ų6824%0.23638%0.38CS..  trans-122.1165.2-178.8-69.30000111.9Q122 N131 Q135 E136Q122-V133 HydrophobicContact CG-CB 4.44Å; Q122-V133 HydrophobicContact CG-CG1 4.14Å; Q122-V133 HydrophobicContact CG-CG2 4.09Å; N131-V133 PolarHBondContact O-N 2.67Å; V133-Q135 PolarHBondContact O-N 3.34Å; V133-E136 PolarHBondContact O-N 2.93Å
134G81.7Confident71.4Confident53 Ų5366.4 Ų66.455%0.54636%0.361SS..Hα-helixtrans62.1-129.7171.800000112.9E136 Q137 L138G134-E136 VanDerWaalsContact C-N 3.27Å; G134-E136 PolarHBondContact O-N 3.43Å; G134-Q137 PolarHBondContact O-N 3.17Å; G134-L138 PolarHBondContact O-N 3.05Å; G134-L138 VanDerWaalsContact O-N 3.09Å
135Q84.3Confident74Confident65 Ų6565.5 Ų65.530%0.30436%0.358SS..Hα-helixtrans-61.6-35.4-175.5-172.9177.9-62.400112.7T2 M5 V133 L138 G139T2-Q135 PolarHBondContact OG1-OE1 2.97Å; M5-Q135 HydrophobicContact CE-CG 3.21Å; M5-Q135 HydrophobicContact SD-CG 3.59Å; M5-Q135 VanDerWaalsContact SD-CG 3.59Å; V133-Q135 PolarHBondContact O-N 3.34Å; Q135-L138 PolarHBondContact O-N 3.2Å; Q135-G139 PolarHBondContact O-N 3.06Å
136E85.9Confident76.4Confident36 Ų3657.7 Ų57.717%0.16833%0.329CS..Hα-helixtrans-71.4-41.6-178.2-62.6-50.8147.900112Y115 V133 G134 L138 G139 L140Y115-E136 HydrophobicContact CD1-CG 4.32Å; Y115-E136 HydrophobicContact CE1-CB 3.82Å; Y115-E136 HydrophobicContact CE1-CG 3.54Å; Y115-E136 WeakPolarHBondContact CE1-OE2 3.22Å; Y115-E136 PolarHBondContact OH-OE2 2.99Å; V133-E136 PolarHBondContact O-N 2.93Å; G134-E136 VanDerWaalsContact C-N 3.27Å; G134-E136 PolarHBondContact O-N 3.43Å; E136-L138 VanDerWaalsContact C-N 3.3Å; E136-L138 PolarHBondContact O-N 3.43Å; E136-G139 PolarHBondContact O-N 3.28Å; E136-L140 WeakPolarHBondContact O-CG 3.23Å; E136-L140 PolarHBondContact O-N 3.31Å
137Q86.9Confident78.8Confident108 Ų10855.6 Ų55.651%0.50533%0.326SS..Hα-helixtrans-61.4-42172.8-163.2-178.25.700111.7T132 G134 L140 R141T132-Q137 VanDerWaalsContact O-CB 3.3Å; T132-Q137 WeakPolarHBondContact O-CB 3.33Å; T132-Q137 WeakPolarHBondContact O-CG 3.48Å; G134-Q137 PolarHBondContact O-N 3.17Å; Q137-L140 PolarHBondContact O-N 2.9Å; Q137-R141 WeakPolarHBondContact O-CB 3.47Å; Q137-R141 PolarHBondContact O-N 3.36Å
138L90.3Very high81.3Confident44 Ų4451.8 Ų51.823%0.2330%0.295CS..Hα-helixtrans-62.9-46176.7179.558.6000111M5 A9 G134 Q135 E136 L140 R141 L142M5-L138 HydrophobicContact CB-CD2 3.93Å; M5-L138 HydrophobicContact CB-CG 4.36Å; A9-L138 HydrophobicContact CB-CD1 4.1Å; G134-L138 PolarHBondContact O-N 3.05Å; G134-L138 VanDerWaalsContact O-N 3.09Å; Q135-L138 PolarHBondContact O-N 3.2Å; E136-L138 VanDerWaalsContact C-N 3.3Å; E136-L138 PolarHBondContact O-N 3.43Å; L138-L140 PolarHBondContact O-N 2.98Å; L138-R141 PolarHBondContact O-N 3.41Å; L138-L142 HydrophobicContact CD1-CD1 3.97Å; L138-L142 HydrophobicContact CD1-CD2 4.49Å; L138-L142 HydrophobicContact CD1-CG 4.02Å; L138-L142 HydrophobicContact CG-CD1 3.87Å; L138-L142 HydrophobicContact CG-CG 4.35Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.34Å; L138-L142 PolarHBondContact O-N 3.37Å
139G92.3Very high83.6Confident1 Ų152.7 Ų52.71%0.0129%0.292CS..Hα-helixtrans-55.1-50175.500000112.1Q135 E136 R141 L142 M143Q135-G139 PolarHBondContact O-N 3.06Å; E136-G139 PolarHBondContact O-N 3.28Å; G139-R141 PolarHBondContact O-N 2.93Å; G139-L142 PolarHBondContact O-N 3.2Å; G139-M143 VanDerWaalsContact O-CG 3.31Å; G139-M143 WeakPolarHBondContact O-CG 3.39Å; G139-M143 PolarHBondContact O-N 2.88Å
140L92.6Very high85.7Confident3 Ų351.8 Ų51.82%0.01629%0.288CS..Hα-helixtrans-60.1-42.8177.1-70.8171.7000112.8F113 Y115 T132 E136 Q137 L138 M143 R144 P150 V152F113-L140 HydrophobicContact CB-CD2 4.32Å; F113-L140 HydrophobicContact CD1-CD2 4.14Å; F113-L140 HydrophobicContact CD2-CD2 3.56Å; F113-L140 HydrophobicContact CE1-CD2 4.36Å; F113-L140 HydrophobicContact CE2-CD2 3.82Å; F113-L140 HydrophobicContact CG-CD2 3.74Å; F113-L140 HydrophobicContact CZ-CD2 4.21Å; Y115-L140 HydrophobicContact CE2-CD1 4.37Å; T132-L140 HydrophobicContact CG2-CD1 3.89Å; T132-L140 WeakPolarHBondContact OG1-CD1 3.47Å; E136-L140 WeakPolarHBondContact O-CG 3.23Å; E136-L140 PolarHBondContact O-N 3.31Å; Q137-L140 PolarHBondContact O-N 2.9Å; L138-L140 PolarHBondContact O-N 2.98Å; L140-M143 PolarHBondContact O-N 3.34Å; L140-R144 WeakPolarHBondContact O-CG 3.15Å; L140-R144 PolarHBondContact O-N 2.86Å; L140-P150 HydrophobicContact CD2-CB 3.84Å; L140-P150 HydrophobicContact CD2-CG 4.07Å; L140-V152 HydrophobicContact CD1-CG2 3.66Å; L140-V152 HydrophobicContact CD2-CG2 3.71Å; L140-V152 HydrophobicContact CG-CG2 4.37Å
141R93.2Very high87.8Confident90 Ų9046 Ų4634%0.3426%0.259SS..Hα-helixtrans-61.6-44.6176.6-174.2-175.17499.4-7.6111.4D13 Q137 L138 G139 R144 S145D13-R141 IonicContact OD1-CZ 2.76Å; D13-R141 IonicContact OD1-NH1 2.68Å; D13-R141 PolarHBondContact OD1-NH1 2.97Å; D13-R141 IonicContact OD1-NH2 3.52Å; D13-R141 PolarHBondContact OD1-NH2 2.64Å; D13-R141 IonicContact OD2-CZ 3.09Å; D13-R141 IonicContact OD2-NH1 3.24Å; D13-R141 PolarHBondContact OD2-NH1 2.98Å; D13-R141 IonicContact OD2-NH2 2.67Å; D13-R141 PolarHBondContact OD2-NH2 2.93Å; Q137-R141 WeakPolarHBondContact O-CB 3.47Å; Q137-R141 PolarHBondContact O-N 3.36Å; L138-R141 PolarHBondContact O-N 3.41Å; G139-R141 PolarHBondContact O-N 2.93Å; R141-R144 PolarHBondContact O-N 3.05Å; R141-S145 PolarHBondContact O-N 2.9Å
142L94.9Very high89.4Confident1 Ų141.7 Ų41.71%0.00524%0.236CC..Hα-helixtrans-66.9-39.4179.6-67.4172000111.6M5 A9 V12 C81 L138 G139 R144 S145 A146M5-L142 HydrophobicContact CB-CD1 3.97Å; M5-L142 HydrophobicContact CG-CD1 4Å; M5-L142 WeakPolarHBondContact O-CD1 3.33Å; A9-L142 HydrophobicContact CB-CD2 4.31Å; V12-L142 HydrophobicContact CB-CD2 4.44Å; V12-L142 HydrophobicContact CG2-CD2 4.1Å; C81-L142 HydrophobicContact CB-CB 3.82Å; C81-L142 HydrophobicContact CB-CD1 4.18Å; L138-L142 HydrophobicContact CD1-CD1 3.97Å; L138-L142 HydrophobicContact CD1-CD2 4.49Å; L138-L142 HydrophobicContact CD1-CG 4.02Å; L138-L142 HydrophobicContact CG-CD1 3.87Å; L138-L142 HydrophobicContact CG-CG 4.35Å; L138-L142 VanDerWaalsContact O-CG 3.26Å; L138-L142 WeakPolarHBondContact O-CG 3.34Å; L138-L142 PolarHBondContact O-N 3.37Å; G139-L142 PolarHBondContact O-N 3.2Å; L142-R144 PolarHBondContact O-N 3.48Å; L142-S145 WeakPolarHBondContact CA-OG 3.44Å; L142-S145 PolarHBondContact O-N 3.03Å; L142-S145 PolarHBondContact O-OG 3Å; L142-A146 PolarHBondContact O-N 2.85Å
143M95.4Very high90.4Very high1 Ų140.9 Ų40.91%0.00523%0.231CC..Hα-helixtrans-59.7-44.9173.1-71.5-59-70.900112.4E79 C81 A83 V85 P111 F113 G139 L140 S145 A146 G147 F148E79-M143 HydrophobicContact CB-CE 4.45Å; E79-M143 HydrophobicContact CB-SD 3.73Å; E79-M143 HydrophobicContact CG-CE 3.66Å; E79-M143 HydrophobicContact CG-SD 3.6Å; E79-M143 VanDerWaalsContact CG-SD 3.6Å; C81-M143 VanDerWaalsContact SG-SD 3.69Å; A83-M143 HydrophobicContact CB-CG 4.05Å; A83-M143 HydrophobicContact CB-SD 4.31Å; V85-M143 HydrophobicContact CG2-CE 4.14Å; P111-M143 HydrophobicContact CB-CE 4.04Å; P111-M143 HydrophobicContact CG-CE 3.75Å; F113-M143 HydrophobicContact CE2-CG 4.4Å; F113-M143 HydrophobicContact CZ-CG 3.88Å; G139-M143 VanDerWaalsContact O-CG 3.31Å; G139-M143 WeakPolarHBondContact O-CG 3.39Å; G139-M143 PolarHBondContact O-N 2.88Å; L140-M143 PolarHBondContact O-N 3.34Å; M143-S145 VanDerWaalsContact C-N 3.35Å; M143-S145 PolarHBondContact O-N 3.4Å; M143-A146 CarbonylContact O-C 3.58Å; M143-A146 WeakPolarHBondContact O-CB 3.36Å; M143-A146 PolarHBondContact O-N 2.72Å; M143-A146 VanDerWaalsContact O-N 3.15Å; M143-G147 PolarHBondContact O-N 3.45Å; M143-F148 HydrophobicContact CB-CB 4.42Å; M143-F148 HydrophobicContact CE-CB 4.05Å; M143-F148 HydrophobicContact CE-CD1 4.16Å; M143-F148 HydrophobicContact CE-CD2 3.42Å; M143-F148 VanDerWaalsContact CE-CD2 3.42Å; M143-F148 HydrophobicContact CE-CE1 4.44Å; M143-F148 HydrophobicContact CE-CE2 3.76Å; M143-F148 HydrophobicContact CE-CG 3.62Å; M143-F148 HydrophobicContact CE-CZ 4.26Å; M143-F148 WeakPolarHBondContact O-CB 3.37Å; M143-F148 PolarHBondContact O-N 3.29Å; M143-F148 HydrophobicContact SD-CD2 4.22Å
144R94.4Very high91.1Very high137 Ų13740.3 Ų40.352%0.51723%0.226SC..Hα-helixtrans-61.6-42.3174-70.2173.5-176.6137.51.2111.9L140 R141 L142 A146 G147 F148 P150L140-R144 WeakPolarHBondContact O-CG 3.15Å; L140-R144 PolarHBondContact O-N 2.86Å; R141-R144 PolarHBondContact O-N 3.05Å; L142-R144 PolarHBondContact O-N 3.48Å; R144-A146 PolarHBondContact O-N 3.48Å; R144-G147 WeakPolarHBondContact O-CA 3.46Å; R144-G147 PolarHBondContact O-N 3.37Å; R144-F148 WeakPolarHBondContact CA-O 3.46Å; R144-P150 HydrophobicContact CG-CG 3.83Å
145S93.1Very high91.3Very high62 Ų6239 Ų3943%0.43421%0.205SC..Hα-helixtrans-62.8-29.7175.877.10000112.8V12 R141 L142 M143 G147V12-S145 WeakPolarHBondContact CG2-OG 3.48Å; R141-S145 PolarHBondContact O-N 2.9Å; L142-S145 WeakPolarHBondContact CA-OG 3.44Å; L142-S145 PolarHBondContact O-N 3.03Å; L142-S145 PolarHBondContact O-OG 3Å; M143-S145 VanDerWaalsContact C-N 3.35Å; M143-S145 PolarHBondContact O-N 3.4Å; S145-G147 PolarHBondContact O-N 3.12Å
146A92.6Very high91.3Very high45 Ų4536.7 Ų36.737%0.37220%0.195SC..THydrogen-bonded Turntrans-80.14.6172.600000112.8K108 L142 M143 R144 F148K108-A146 PolarHBondContact NZ-O 2.88Å; L142-A146 PolarHBondContact O-N 2.85Å; M143-A146 CarbonylContact O-C 3.58Å; M143-A146 WeakPolarHBondContact O-CB 3.36Å; M143-A146 PolarHBondContact O-N 2.72Å; M143-A146 VanDerWaalsContact O-N 3.15Å; R144-A146 PolarHBondContact O-N 3.48Å; A146-F148 HydrophobicContact CB-CD2 4.02Å; A146-F148 HydrophobicContact CB-CE2 4.29Å
147G92.5Very high91.3Very high49 Ų4937.6 Ų37.651%0.50520%0.199SC..THydrogen-bonded Turntrans79.519.7176.600000114.8K108 M143 R144 S145K108-G147 WeakPolarHBondContact CD-O 3.36Å; M143-G147 PolarHBondContact O-N 3.45Å; R144-G147 WeakPolarHBondContact O-CA 3.46Å; R144-G147 PolarHBondContact O-N 3.37Å; S145-G147 PolarHBondContact O-N 3.12Å
148F94.1Very high91.3Very high33 Ų3332.4 Ų32.415%0.14518%0.175CC..  trans-86.4155.7167.7-69-85000111.2K108 P109 P111 M143 R144 A146 P150K108-F148 HydrophobicContact CB-CD1 4.18Å; K108-F148 HydrophobicContact CB-CE1 4.2Å; K108-F148 HydrophobicContact CD-CD1 4.43Å; K108-F148 HydrophobicContact CD-CE1 4.42Å; K108-F148 HydrophobicContact CG-CE1 4.34Å; P109-F148 WeakPolarHBondContact O-CD1 3.26Å; P111-F148 HydrophobicContact CG-CB 3.93Å; P111-F148 HydrophobicContact CG-CD1 4.2Å; P111-F148 HydrophobicContact CG-CG 4.28Å; M143-F148 HydrophobicContact CB-CB 4.42Å; M143-F148 HydrophobicContact CE-CB 4.05Å; M143-F148 HydrophobicContact CE-CD1 4.16Å; M143-F148 HydrophobicContact CE-CD2 3.42Å; M143-F148 VanDerWaalsContact CE-CD2 3.42Å; M143-F148 HydrophobicContact CE-CE1 4.44Å; M143-F148 HydrophobicContact CE-CE2 3.76Å; M143-F148 HydrophobicContact CE-CG 3.62Å; M143-F148 HydrophobicContact CE-CZ 4.26Å; M143-F148 WeakPolarHBondContact O-CB 3.37Å; M143-F148 PolarHBondContact O-N 3.29Å; M143-F148 HydrophobicContact SD-CD2 4.22Å; R144-F148 WeakPolarHBondContact CA-O 3.46Å; A146-F148 HydrophobicContact CB-CD2 4.02Å; A146-F148 HydrophobicContact CB-CE2 4.29Å; F148-P150 VanDerWaalsContact O-CD 3.27Å; F148-P150 WeakPolarHBondContact O-CD 3.34Å
149D92.9Very high91Very high55 Ų5533.7 Ų33.729%0.29418%0.183SC..  trans-11483.7172.9-177.423.2000110.4R110 N179R110-D149 IonicContact CZ-OD2 2.64Å; R110-D149 PolarHBondContact NE-O 2.94Å; R110-D149 IonicContact NE-OD2 2.61Å; R110-D149 PolarHBondContact NE-OD2 2.98Å; R110-D149 IonicContact NH1-OD2 3.48Å; R110-D149 VanDerWaalsContact NH2-CG 3.29Å; R110-D149 IonicContact NH2-OD1 2.82Å; R110-D149 PolarHBondContact NH2-OD1 2.84Å; R110-D149 IonicContact NH2-OD2 3.49Å; R110-D149 PolarHBondContact NH2-OD2 3.03Å; D149-N179 PolarHBondContact OD1-ND2 2.66Å
150P93.8Very high90.8Very high5 Ų542.9 Ų42.93%0.03222%0.218CC..PPolyproline II helixtrans-71.4138.7-172.428.8-34.9000112.6P111 F113 L140 R144 F148P111-P150 HydrophobicContact CG-CB 3.96Å; P111-P150 WeakPolarHBondContact O-CA 3.37Å; F113-P150 HydrophobicContact CD2-CB 3.86Å; F113-P150 HydrophobicContact CE2-CB 3.71Å; L140-P150 HydrophobicContact CD2-CB 3.84Å; L140-P150 HydrophobicContact CD2-CG 4.07Å; R144-P150 HydrophobicContact CG-CG 3.83Å; F148-P150 VanDerWaalsContact O-CD 3.27Å; F148-P150 WeakPolarHBondContact O-CD 3.34Å
151V93.7Very high90.6Very high7 Ų744 Ų444%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-101.5124.7171.8-178.40000108.5R110 P111 L112 F113 V153 K174R110-V151 HydrophobicContact CB-CG2 4.45Å; P111-V151 PolarHBondContact O-N 3.47Å; L112-V151 WeakPolarHBondContact CA-O 3.29Å; L112-V151 HydrophobicContact CD2-CB 3.57Å; L112-V151 HydrophobicContact CD2-CG1 4.15Å; L112-V151 HydrophobicContact CD2-CG2 3.92Å; F113-V151 PolarHBondContact N-O 3.46Å; V151-V153 HydrophobicContact CG1-CG2 4.3Å; V151-K174 HydrophobicContact CG1-CB 3.81Å
152V91.8Very high90.3Very high24 Ų2445.2 Ų45.215%0.14525%0.249CC..EExtended strand (participates in β ladder)trans-102.7132.2177.1-177.80000109.2F113 Y115 T132 L140 F154 K174F113-V152 HydrophobicContact CB-CG2 4.47Å; F113-V152 CarbonylContact O-C 3.55Å; F113-V152 WeakPolarHBondContact O-CA 3.38Å; Y115-V152 HydrophobicContact CD2-CG1 3.63Å; Y115-V152 HydrophobicContact CE2-CG1 3.79Å; T132-V152 HydrophobicContact CG2-CG1 4.35Å; L140-V152 HydrophobicContact CD1-CG2 3.66Å; L140-V152 HydrophobicContact CD2-CG2 3.71Å; L140-V152 HydrophobicContact CG-CG2 4.37Å; V152-F154 HydrophobicContact CG1-CD1 4.44Å; V152-F154 HydrophobicContact CG1-CD2 4.36Å; V152-F154 HydrophobicContact CG1-CE1 3.9Å; V152-F154 HydrophobicContact CG1-CE2 3.81Å; V152-F154 HydrophobicContact CG1-CZ 3.56Å; V152-K174 PolarHBondContact O-NZ 2.97Å
153V89.9Confident90.1Very high1 Ų148.3 Ų48.31%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-126.9123.8177.1-176.40000108.8F59 F113 F114 Y115 V151 L158 L171 K174F59-V153 HydrophobicContact CD2-CB 4.34Å; F59-V153 HydrophobicContact CD2-CG1 4.24Å; F59-V153 HydrophobicContact CE2-CB 4.29Å; F59-V153 HydrophobicContact CE2-CG2 4.08Å; F113-V153 PolarHBondContact O-N 3.49Å; F114-V153 CarbonylContact C-O 3.59Å; F114-V153 WeakPolarHBondContact CA-O 3.17Å; F114-V153 HydrophobicContact CD2-CB 4.36Å; F114-V153 HydrophobicContact CD2-CG1 4.23Å; F114-V153 WeakPolarHBondContact CD2-O 3.02Å; Y115-V153 PolarHBondContact N-O 3.27Å; V151-V153 HydrophobicContact CG1-CG2 4.3Å; V153-L158 HydrophobicContact CG1-CD1 4.09Å; V153-L158 HydrophobicContact CG1-CD2 4.32Å; V153-L158 HydrophobicContact CG1-CG 4.08Å; V153-L171 HydrophobicContact CB-CD2 4.32Å; V153-L171 HydrophobicContact CG1-CD2 3.81Å; V153-L171 HydrophobicContact CG2-CD2 3.6Å; V153-K174 HydrophobicContact CG2-CD 4.26Å
154F87Confident89.7Confident27 Ų2752.2 Ų52.212%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-98.3144.2178.7-69.8-60.4000110.4Y115 T120 E129 T132 V152 T156 E157 L158Y115-F154 HydrophobicContact CD2-CD1 4.36Å; Y115-F154 AromaticContact CD2-CE1 3.9Å; Y115-F154 HydrophobicContact CD2-CE1 3.9Å; Y115-F154 HydrophobicContact CG-CE1 4.4Å; T120-F154 HydrophobicContact CG2-CD1 3.72Å; T120-F154 HydrophobicContact CG2-CE1 3.58Å; E129-F154 HydrophobicContact CB-CD1 4.24Å; E129-F154 HydrophobicContact CB-CG 4.36Å; E129-F154 WeakPolarHBondContact OE2-CB 3.42Å; E129-F154 WeakPolarHBondContact OE2-CD1 3.38Å; E129-F154 WeakPolarHBondContact OE2-CG 3.4Å; T132-F154 HydrophobicContact CG2-CE1 3.92Å; T132-F154 HydrophobicContact CG2-CZ 3.93Å; V152-F154 HydrophobicContact CG1-CD1 4.44Å; V152-F154 HydrophobicContact CG1-CD2 4.36Å; V152-F154 HydrophobicContact CG1-CE1 3.9Å; V152-F154 HydrophobicContact CG1-CE2 3.81Å; V152-F154 HydrophobicContact CG1-CZ 3.56Å; F154-T156 PolarHBondContact O-N 2.8Å; F154-E157 HydrophobicContact CB-CG 3.92Å; F154-E157 WeakPolarHBondContact CB-OE2 3.46Å; F154-E157 PolarHBondContact N-OE2 3.31Å; F154-E157 PolarHBondContact O-N 3.35Å; F154-E157 VanDerWaalsContact O-N 3.14Å; F154-L158 PolarHBondContact O-N 3Å
155K85.4Confident89.6Confident24 Ų2451.2 Ų51.210%0.10429%0.289CS..Hα-helixtrans-57.6-40.4175.8-175.5-169.6178.4-560110.8F114 Y115 E157 L158 D159F114-K155 HydrophobicContact CE2-CB 4.14Å; F114-K155 HydrophobicContact CZ-CB 3.88Å; F114-K155 HydrophobicContact CZ-CG 4.32Å; Y115-K155 PolarHBondContact O-N 3.48Å; K155-E157 VanDerWaalsContact C-N 3.25Å; K155-E157 PolarHBondContact O-N 3.48Å; K155-L158 PolarHBondContact O-N 3.5Å; K155-L158 VanDerWaalsContact O-N 3.07Å; K155-D159 IonicContact NZ-OD1 3.44Å; K155-D159 PolarHBondContact NZ-OD1 3.18Å; K155-D159 IonicContact NZ-OD2 3.45Å; K155-D159 PolarHBondContact NZ-OD2 2.91Å; K155-D159 PolarHBondContact O-N 3.39Å
156T83.9Confident89.5Confident18 Ų1851.4 Ų51.411%0.1129%0.285CS..Hα-helixtrans-57.8-38.5178.348.30000113.1W117 E129 F154 L158 D159 Y160W117-T156 HydrophobicContact CE3-CG2 3.48Å; W117-T156 VanDerWaalsContact CE3-CG2 3.48Å; W117-T156 HydrophobicContact CZ3-CG2 3.31Å; E129-T156 HydrophobicContact CG-CG2 3.78Å; F154-T156 PolarHBondContact O-N 2.8Å; T156-L158 VanDerWaalsContact C-N 3.29Å; T156-L158 PolarHBondContact O-N 2.97Å; T156-D159 PolarHBondContact O-N 3.35Å; T156-Y160 WeakPolarHBondContact O-CD2 3.37Å; T156-Y160 PolarHBondContact O-N 3.17Å
157E86.4Confident89.5Confident54 Ų5450.4 Ų50.425%0.25227%0.273SS..Hα-helixtrans-65-37.3179-62172.2123.200111.4F154 K155 C161 L170 K174F154-E157 HydrophobicContact CB-CG 3.92Å; F154-E157 WeakPolarHBondContact CB-OE2 3.46Å; F154-E157 PolarHBondContact N-OE2 3.31Å; F154-E157 PolarHBondContact O-N 3.35Å; F154-E157 VanDerWaalsContact O-N 3.14Å; K155-E157 VanDerWaalsContact C-N 3.25Å; K155-E157 PolarHBondContact O-N 3.48Å; E157-C161 PolarHBondContact O-SG 2.84Å; E157-L170 HydrophobicContact CB-CD2 3.83Å; E157-K174 WeakPolarHBondContact OE1-CE 3.47Å; E157-K174 IonicContact OE1-NZ 3.51Å; E157-K174 PolarHBondContact OE1-NZ 2.63Å; E157-K174 IonicContact OE2-NZ 2.61Å; E157-K174 PolarHBondContact OE2-NZ 2.72Å
158L86.8Confident89.5Confident0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-72.9-32.2174.4-62.1176.1000112.4F59 F114 V153 F154 K155 T156 Y160 C161 Q167 L170 L171F59-L158 HydrophobicContact CB-CD1 4.41Å; F114-L158 HydrophobicContact CE2-CD1 3.88Å; V153-L158 HydrophobicContact CG1-CD1 4.09Å; V153-L158 HydrophobicContact CG1-CD2 4.32Å; V153-L158 HydrophobicContact CG1-CG 4.08Å; F154-L158 PolarHBondContact O-N 3Å; K155-L158 PolarHBondContact O-N 3.5Å; K155-L158 VanDerWaalsContact O-N 3.07Å; T156-L158 VanDerWaalsContact C-N 3.29Å; T156-L158 PolarHBondContact O-N 2.97Å; L158-Y160 VanDerWaalsContact C-N 3.34Å; L158-C161 WeakPolarHBondContact O-CB 3.47Å; L158-C161 PolarHBondContact O-N 3.41Å; L158-Q167 HydrophobicContact CB-CG 4.45Å; L158-Q167 HydrophobicContact CD2-CB 4.07Å; L158-Q167 HydrophobicContact CD2-CG 4.19Å; L158-Q167 PolarHBondContact O-NE2 3.25Å; L158-L170 HydrophobicContact CD2-CD2 4.06Å; L158-L171 HydrophobicContact CD2-CG 4.37Å
159D85.3Confident89.4Confident71 Ų7149.9 Ų49.938%0.3826%0.261SS..Hα-helixtrans-70.4-30.1175.9-69.5-24.3000112.1K155 T156 C161K155-D159 IonicContact NZ-OD1 3.44Å; K155-D159 PolarHBondContact NZ-OD1 3.18Å; K155-D159 IonicContact NZ-OD2 3.45Å; K155-D159 PolarHBondContact NZ-OD2 2.91Å; K155-D159 PolarHBondContact O-N 3.39Å; T156-D159 PolarHBondContact O-N 3.35Å; D159-C161 PolarHBondContact O-N 3.5Å
160Y86.4Confident89.4Confident193 Ų19349.5 Ų49.576%0.75726%0.258SS*.SBendtrans-71.2-18174.8-79.3-64.6000113.2T156 L158T156-Y160 WeakPolarHBondContact O-CD2 3.37Å; T156-Y160 PolarHBondContact O-N 3.17Å; L158-Y160 VanDerWaalsContact C-N 3.34Å
161C88.3Confident89.4Confident27 Ų2749.3 Ų49.318%0.18226%0.257CS..  trans-72.3128.5175.1-67.70000110.8E157 L158 D159 D166 Q167E157-C161 PolarHBondContact O-SG 2.84Å; L158-C161 WeakPolarHBondContact O-CB 3.47Å; L158-C161 PolarHBondContact O-N 3.41Å; D159-C161 PolarHBondContact O-N 3.5Å; C161-D166 HydrophobicContact CB-CB 3.79Å; C161-Q167 HydrophobicContact CB-CB 4.39Å; C161-Q167 HydrophobicContact CB-CG 3.41Å; C161-Q167 VanDerWaalsContact CB-CG 3.41Å
162S87.8Confident89.3Confident116 Ų11652.5 Ų52.581%0.81127%0.268SS*.SBendtrans-74.6-26.9-178.8-62.50000113
163T90.1Very high89.4Confident65 Ų6556.4 Ų56.440%0.39929%0.289SS..SBendtrans-134.4163-178.5720000112.6I165 D166 Q167T163-I165 PolarHBondContact O-N 3.39Å; T163-I165 PolarHBondContact OG1-N 3.16Å; T163-D166 WeakPolarHBondContact CB-OD2 3.48Å; T163-D166 PolarHBondContact N-OD2 3.41Å; T163-D166 WeakPolarHBondContact O-CB 3.36Å; T163-D166 PolarHBondContact O-N 3.3Å; T163-D166 VanDerWaalsContact O-N 3.16Å; T163-D166 PolarHBondContact OG1-N 2.85Å; T163-D166 VanDerWaalsContact OG1-N 3.17Å; T163-D166 PolarHBondContact OG1-OD1 3.48Å; T163-D166 PolarHBondContact OG1-OD2 2.64Å; T163-Q167 PolarHBondContact O-N 3.15Å; T163-Q167 VanDerWaalsContact O-N 3.15Å
164E88.1Confident89.5Confident84 Ų8458.4 Ų58.439%0.39330%0.297SS..Hα-helixtrans-63.4-26.6173-60-169.7160.400112.5K61 K65 V168K61-E164 IonicContact NZ-OE1 2.64Å; K61-E164 PolarHBondContact NZ-OE1 3.15Å; K61-E164 IonicContact NZ-OE2 2.75Å; K65-E164 IonicContact NZ-OE2 2.61Å; K65-E164 PolarHBondContact NZ-OE2 3.46Å; E164-V168 VanDerWaalsContact O-CG2 3.26Å; E164-V168 WeakPolarHBondContact O-CG2 3.46Å; E164-V168 PolarHBondContact O-N 3.39Å; E164-V168 VanDerWaalsContact O-N 3.12Å
165I91.1Very high89.9Confident116 Ų11657.2 Ų57.260%0.59529%0.292SS*.Hα-helixtrans-69.7-40.3175.8-65.2172.1000109.5T163 Q167 V168 N169T163-I165 PolarHBondContact O-N 3.39Å; T163-I165 PolarHBondContact OG1-N 3.16Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 2.97Å; I165-V168 WeakPolarHBondContact O-CB 3.35Å; I165-V168 PolarHBondContact O-N 3.33Å; I165-N169 WeakPolarHBondContact O-CB 3.26Å; I165-N169 VanDerWaalsContact O-CG 3.25Å; I165-N169 PolarHBondContact O-N 2.82Å; I165-N169 PolarHBondContact O-ND2 3.21Å
166D92.1Very high90.2Very high65 Ų6557.8 Ų57.835%0.34830%0.295SS..Hα-helixtrans-64.2-39.9176.6-56.8-36.8000111.3C161 T163 V168 N169 L170C161-D166 HydrophobicContact CB-CB 3.79Å; T163-D166 WeakPolarHBondContact CB-OD2 3.48Å; T163-D166 PolarHBondContact N-OD2 3.41Å; T163-D166 WeakPolarHBondContact O-CB 3.36Å; T163-D166 PolarHBondContact O-N 3.3Å; T163-D166 VanDerWaalsContact O-N 3.16Å; T163-D166 PolarHBondContact OG1-N 2.85Å; T163-D166 VanDerWaalsContact OG1-N 3.17Å; T163-D166 PolarHBondContact OG1-OD1 3.48Å; T163-D166 PolarHBondContact OG1-OD2 2.64Å; D166-V168 VanDerWaalsContact C-N 3.35Å; D166-V168 PolarHBondContact O-N 3.14Å; D166-N169 PolarHBondContact O-N 3.41Å; D166-L170 WeakPolarHBondContact O-CB 3.47Å; D166-L170 PolarHBondContact O-N 2.72Å
167Q91.8Very high90.3Very high25 Ų2563.5 Ų63.512%0.11732%0.318CS..Hα-helixtrans-60.8-43.8174.3-68.5176.8-10.800111.8S62 L158 C161 T163 I165 L171S62-Q167 PolarHBondContact OG-OE1 3.12Å; L158-Q167 HydrophobicContact CB-CG 4.45Å; L158-Q167 HydrophobicContact CD2-CB 4.07Å; L158-Q167 HydrophobicContact CD2-CG 4.19Å; L158-Q167 PolarHBondContact O-NE2 3.25Å; C161-Q167 HydrophobicContact CB-CB 4.39Å; C161-Q167 HydrophobicContact CB-CG 3.41Å; C161-Q167 VanDerWaalsContact CB-CG 3.41Å; T163-Q167 PolarHBondContact O-N 3.15Å; T163-Q167 VanDerWaalsContact O-N 3.15Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 2.97Å; Q167-L171 WeakPolarHBondContact O-CG 3.48Å; Q167-L171 PolarHBondContact O-N 3.09Å
168V92.5Very high89.2Confident13 Ų1368.7 Ų68.78%0.07934%0.34CS..Hα-helixtrans-63.9-43.4176166.70000111.3K65 L66 E164 I165 D166 L171 R172K65-V168 HydrophobicContact CB-CG2 3.91Å; K65-V168 HydrophobicContact CD-CG2 3.7Å; K65-V168 HydrophobicContact CG-CG2 4.43Å; L66-V168 HydrophobicContact CD1-CG1 4.41Å; L66-V168 WeakPolarHBondContact CD1-O 3.26Å; L66-V168 HydrophobicContact CD2-CG1 3.45Å; L66-V168 VanDerWaalsContact CD2-CG1 3.45Å; L66-V168 HydrophobicContact CG-CG1 3.8Å; E164-V168 VanDerWaalsContact O-CG2 3.26Å; E164-V168 WeakPolarHBondContact O-CG2 3.46Å; E164-V168 PolarHBondContact O-N 3.39Å; E164-V168 VanDerWaalsContact O-N 3.12Å; I165-V168 WeakPolarHBondContact O-CB 3.35Å; I165-V168 PolarHBondContact O-N 3.33Å; D166-V168 VanDerWaalsContact C-N 3.35Å; D166-V168 PolarHBondContact O-N 3.14Å; V168-L171 PolarHBondContact O-N 3.32Å; V168-R172 PolarHBondContact O-N 3.49Å
169N92Very high87.6Confident58 Ų5876.5 Ų76.531%0.3138%0.382SS..Hα-helixtrans-66.5-44.1178.8-69.6-21.4000111.5I165 D166 L171 R172 D173I165-N169 WeakPolarHBondContact O-CB 3.26Å; I165-N169 VanDerWaalsContact O-CG 3.25Å; I165-N169 PolarHBondContact O-N 2.82Å; I165-N169 PolarHBondContact O-ND2 3.21Å; D166-N169 PolarHBondContact O-N 3.41Å; N169-L171 VanDerWaalsContact C-N 3.32Å; N169-L171 PolarHBondContact O-N 2.75Å; N169-R172 WeakPolarHBondContact O-CB 3.45Å; N169-R172 PolarHBondContact O-N 2.85Å; N169-R172 VanDerWaalsContact O-N 3.12Å; N169-R172 PolarHBondContact OD1-NH1 3.3Å; N169-D173 VanDerWaalsContact O-CG 3.26Å; N169-D173 PolarHBondContact O-N 3.3Å
170L92.9Very high87.7Confident47 Ų4776.8 Ų76.825%0.24638%0.382CS..Hα-helixtrans-54.9-48173.8177.374.7000111.5E157 L158 D166 D173 K174E157-L170 HydrophobicContact CB-CD2 3.83Å; L158-L170 HydrophobicContact CD2-CD2 4.06Å; D166-L170 WeakPolarHBondContact O-CB 3.47Å; D166-L170 PolarHBondContact O-N 2.72Å; L170-D173 PolarHBondContact O-N 3.43Å; L170-K174 WeakPolarHBondContact O-CB 3.4Å; L170-K174 WeakPolarHBondContact O-CG 3.43Å; L170-K174 PolarHBondContact O-N 2.9Å
171L93.3Very high87.8Confident1 Ų170.7 Ų70.71%0.00536%0.362CS..Hα-helixtrans-61.5-45176.8-75.7-178.3000111.6F59 S62 L63 L66 V153 L158 Q167 V168 N169 D173 K174 I175F59-L171 HydrophobicContact CD2-CD2 4.14Å; F59-L171 HydrophobicContact CE2-CD2 3.97Å; S62-L171 VanDerWaalsContact CB-CD1 3.45Å; L63-L171 HydrophobicContact CB-CD1 4.41Å; L66-L171 HydrophobicContact CD1-CB 3.59Å; V153-L171 HydrophobicContact CB-CD2 4.32Å; V153-L171 HydrophobicContact CG1-CD2 3.81Å; V153-L171 HydrophobicContact CG2-CD2 3.6Å; L158-L171 HydrophobicContact CD2-CG 4.37Å; Q167-L171 WeakPolarHBondContact O-CG 3.48Å; Q167-L171 PolarHBondContact O-N 3.09Å; V168-L171 PolarHBondContact O-N 3.32Å; N169-L171 VanDerWaalsContact C-N 3.32Å; N169-L171 PolarHBondContact O-N 2.75Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-D173 PolarHBondContact O-N 2.67Å; L171-K174 PolarHBondContact O-N 3.17Å; L171-I175 WeakPolarHBondContact O-CB 3.18Å; L171-I175 WeakPolarHBondContact O-CD1 3.42Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 2.61Å
172R93.2Very high87.8Confident74 Ų7473.1 Ų73.128%0.27937%0.372SS..Hα-helixtrans-58.2-48.2177.9-172.4-175.9-62.3111.20.8111L66 V168 N169 K174 I175 H176L66-R172 HydrophobicContact CD1-CB 4.23Å; L66-R172 HydrophobicContact CD2-CB 4.1Å; L66-R172 VanDerWaalsContact CD2-NH2 3.34Å; V168-R172 PolarHBondContact O-N 3.49Å; N169-R172 WeakPolarHBondContact O-CB 3.45Å; N169-R172 PolarHBondContact O-N 2.85Å; N169-R172 VanDerWaalsContact O-N 3.12Å; N169-R172 PolarHBondContact OD1-NH1 3.3Å; R172-K174 PolarHBondContact O-N 3.34Å; R172-I175 PolarHBondContact O-N 3.18Å; R172-H176 PolarHBondContact O-N 3.27Å; R172-H176 PolarHBondContact O-ND1 3.17Å
173D93Very high87.8Confident106 Ų10670.6 Ų70.657%0.56735%0.346SS*.Hα-helixtrans-63-44.5-178-67.8-13.7000110.7N169 L170 L171 I175 H176 K177N169-D173 VanDerWaalsContact O-CG 3.26Å; N169-D173 PolarHBondContact O-N 3.3Å; L170-D173 PolarHBondContact O-N 3.43Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-D173 PolarHBondContact O-N 2.67Å; D173-I175 PolarHBondContact O-N 3.31Å; D173-H176 PolarHBondContact O-N 2.88Å; D173-K177 VanDerWaalsContact O-CB 3.31Å; D173-K177 WeakPolarHBondContact O-CB 3.48Å; D173-K177 PolarHBondContact O-N 2.87Å
174K93.2Very high87.7Confident42 Ų4270.9 Ų70.918%0.18334%0.343CS..Hα-helixtrans-61.1-42174.8-79-166.1158-154.90113V151 V152 V153 E157 L170 L171 R172 H176V151-K174 HydrophobicContact CG1-CB 3.81Å; V152-K174 PolarHBondContact O-NZ 2.97Å; V153-K174 HydrophobicContact CG2-CD 4.26Å; E157-K174 WeakPolarHBondContact OE1-CE 3.47Å; E157-K174 IonicContact OE1-NZ 3.51Å; E157-K174 PolarHBondContact OE1-NZ 2.63Å; E157-K174 IonicContact OE2-NZ 2.61Å; E157-K174 PolarHBondContact OE2-NZ 2.72Å; L170-K174 WeakPolarHBondContact O-CB 3.4Å; L170-K174 WeakPolarHBondContact O-CG 3.43Å; L170-K174 PolarHBondContact O-N 2.9Å; L171-K174 PolarHBondContact O-N 3.17Å; R172-K174 PolarHBondContact O-N 3.34Å; K174-H176 VanDerWaalsContact C-N 3.33Å; K174-H176 PolarHBondContact O-N 3.22Å
175I93.9Very high87.6Confident3 Ų370.1 Ų70.12%0.01534%0.34CS..Hα-helixtrans-69.5-29.9-179.5-69.9164.6000112.3L63 L66 V89 P91 L98 R110 L112 L171 R172 D173L63-I175 HydrophobicContact CD1-CD1 4.14Å; L66-I175 HydrophobicContact CD1-CD1 4.38Å; V89-I175 HydrophobicContact CG2-CD1 4.24Å; V89-I175 HydrophobicContact CG2-CG1 4.18Å; V89-I175 HydrophobicContact CG2-CG2 3.65Å; P91-I175 HydrophobicContact CB-CG2 4.26Å; L98-I175 HydrophobicContact CD2-CG2 3.81Å; R110-I175 PolarHBondContact NH1-O 3.01Å; L112-I175 HydrophobicContact CD1-CD1 4.32Å; L112-I175 HydrophobicContact CD2-CD1 4.5Å; L112-I175 HydrophobicContact CD2-CG1 4.01Å; L171-I175 WeakPolarHBondContact O-CB 3.18Å; L171-I175 WeakPolarHBondContact O-CD1 3.42Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 2.61Å; R172-I175 PolarHBondContact O-N 3.18Å; D173-I175 PolarHBondContact O-N 3.31Å
176H91.9Very high87.4Confident36 Ų3666.8 Ų66.817%0.16732%0.322CS..Hα-helixtrans-98.2-9.9179.7-65.780.6000113.4S95 N96 L97 R172 D173 K174 K178S95-H176 PolarHBondContact O-CD2 3.11Å; N96-H176 VanDerWaalsContact C-NE2 3.26Å; N96-H176 PolarHBondContact O-CE1 3.01Å; N96-H176 PolarHBondContact O-NE2 3.27Å; L97-H176 PolarHBondContact O-NE2 3.27Å; R172-H176 PolarHBondContact O-N 3.27Å; R172-H176 PolarHBondContact O-ND1 3.17Å; D173-H176 PolarHBondContact O-N 2.88Å; K174-H176 VanDerWaalsContact C-N 3.33Å; K174-H176 PolarHBondContact O-N 3.22Å; H176-K178 PolarHBondContact O-N 2.8Å; H176-K178 VanDerWaalsContact O-N 3.1Å
177K85.8Confident87Confident138 Ų13866.9 Ų66.960%0.632%0.32SS*.  trans-60.3115.7175.3-170.4174.4-177.1179.80109.9R110 D173R110-K177 PolarHBondContact NH1-O 3.32Å; R110-K177 PolarHBondContact NH2-O 3.25Å; R110-K177 VanDerWaalsContact NH2-O 3.15Å; D173-K177 VanDerWaalsContact O-CB 3.31Å; D173-K177 WeakPolarHBondContact O-CB 3.48Å; D173-K177 PolarHBondContact O-N 2.87Å
178K64Low86.6Confident163 Ų16370.4 Ų70.471%0.70934%0.336SS*.  trans-77.3123.8169.9-65.9-177.7-178.8174.40107.7H176H176-K178 PolarHBondContact O-N 2.8Å; H176-K178 VanDerWaalsContact O-N 3.1Å
179N53.8Low86.1Confident164 Ų16475.6 Ų75.688%0.87736%0.36SS*.  trans-82.30171.9-74.2-34.4000110.5D149D149-N179 PolarHBondContact OD1-ND2 2.66Å

Retrieved 179 of 179 residues in 149.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).