A0A087Y358_POEFO Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A087Y358, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 389 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
1M47.8Very low75.1Confident140 Ų14066.7 Ų66.769%0.6938%0.381SS*.  0144.70-76.6-158.9-65.900107.6P57 S86M1-P57 HydrophobicContact CB-CG 4.45Å; M1-P57 HydrophobicContact CE-CG 3.83Å; M1-S86 WeakPolarHBondContact CE-O 3.49Å
2S51.6Low76.2Confident82 Ų8262.5 Ų62.557%0.57336%0.355SS*.  trans-64.5153.5-175.444.90000112S4 G5S2-S4 WeakPolarHBondContact CB-OG 3.43Å; S2-S4 PolarHBondContact O-N 3.25Å; S2-S4 PolarHBondContact OG-OG 3.22Å; S2-G5 PolarHBondContact O-N 3.33Å
3V60.4Low77.2Confident116 Ų11657.7 Ų57.770%0.70333%0.327SS*.Hα-helixtrans-43.4-27.2170.6176.10000112.9G5 K7V3-G5 VanDerWaalsContact C-N 3.35Å; V3-G5 PolarHBondContact O-N 3.37Å; V3-K7 PolarHBondContact O-N 3.13Å
4S66.9Low77.9Confident76 Ų7660.9 Ų60.953%0.53134%0.338SS..Hα-helixtrans-62.8-31.5174.859.40000115S2 A8S2-S4 WeakPolarHBondContact CB-OG 3.43Å; S2-S4 PolarHBondContact O-N 3.25Å; S2-S4 PolarHBondContact OG-OG 3.22Å; S4-A8 PolarHBondContact O-N 3.02Å
5G78.4Confident78.4Confident20 Ų2062.7 Ų62.721%0.20636%0.357CS..Hα-helixtrans-70-46.3178.900000112.2S2 V3 K7 A8 E9S2-G5 PolarHBondContact O-N 3.33Å; V3-G5 VanDerWaalsContact C-N 3.35Å; V3-G5 PolarHBondContact O-N 3.37Å; G5-K7 PolarHBondContact O-N 3.27Å; G5-A8 WeakPolarHBondContact O-CB 3.48Å; G5-A8 PolarHBondContact O-N 3.49Å; G5-A8 VanDerWaalsContact O-N 3.16Å; G5-E9 PolarHBondContact O-N 2.8Å
6L84.1Confident78.9Confident18 Ų1859.3 Ų59.39%0.09434%0.337CS..Hα-helixtrans-63.6-42.2176.8176.762.1000111.9A8 E9 L10 P31 I52 Y56 L89L6-A8 PolarHBondContact O-N 3.41Å; L6-E9 WeakPolarHBondContact O-CB 3.49Å; L6-E9 PolarHBondContact O-N 3.4Å; L6-E9 VanDerWaalsContact O-N 3.14Å; L6-L10 HydrophobicContact CD1-CD1 4.09Å; L6-L10 HydrophobicContact CD1-CG 4.29Å; L6-L10 HydrophobicContact CG-CD1 3.89Å; L6-L10 WeakPolarHBondContact O-CG 3.19Å; L6-L10 PolarHBondContact O-N 3.32Å; L6-P31 VanDerWaalsContact CD2-O 3.24Å; L6-P31 WeakPolarHBondContact CD2-O 3.45Å; L6-I52 HydrophobicContact CD1-CD1 4.18Å; L6-I52 HydrophobicContact CD1-CG2 4.16Å; L6-I52 HydrophobicContact CD2-CG2 3.6Å; L6-Y56 HydrophobicContact CB-CD1 4.08Å; L6-Y56 HydrophobicContact CB-CE1 4.13Å; L6-Y56 HydrophobicContact CD1-CD1 3.88Å; L6-Y56 HydrophobicContact CD1-CE1 3.66Å; L6-Y56 HydrophobicContact CD2-CD1 4.2Å; L6-Y56 HydrophobicContact CG-CD1 4.27Å; L6-Y56 HydrophobicContact CG-CE1 4.38Å; L6-L89 HydrophobicContact CD1-CD2 4.06Å
7K85.1Confident79.4Confident115 Ų11555.9 Ų55.950%0.532%0.318SS..Hα-helixtrans-62-32175.8-166.9172.7-174.4171.40112.2V3 G5 K11 W29V3-K7 PolarHBondContact O-N 3.13Å; G5-K7 PolarHBondContact O-N 3.27Å; K7-K11 WeakPolarHBondContact O-CB 3.42Å; K7-K11 WeakPolarHBondContact O-CG 3.45Å; K7-K11 PolarHBondContact O-N 3.22Å; K7-K11 VanDerWaalsContact O-N 3.14Å; K7-W29 HydrophobicContact CG-CH2 4.1Å; K7-W29 HydrophobicContact CG-CZ3 4.45Å
8A85.4Confident79.3Confident41 Ų4156.9 Ų56.934%0.33932%0.322SS..Hα-helixtrans-71.1-40.417400000111.9S4 G5 L6 F12 L119S4-A8 PolarHBondContact O-N 3.02Å; G5-A8 WeakPolarHBondContact O-CB 3.48Å; G5-A8 PolarHBondContact O-N 3.49Å; G5-A8 VanDerWaalsContact O-N 3.16Å; L6-A8 PolarHBondContact O-N 3.41Å; A8-F12 VanDerWaalsContact O-CB 3.32Å; A8-F12 WeakPolarHBondContact O-CB 3.25Å; A8-F12 PolarHBondContact O-N 3.14Å; A8-L119 HydrophobicContact CB-CD1 4.34Å
9E88.6Confident79.1Confident2 Ų258.8 Ų58.81%0.00934%0.337CS..Hα-helixtrans-59.6-48.1173-68.2-176.2-106.900111.8G5 L6 K11 F12 L13 Y56 T87 L89 L90 L119G5-E9 PolarHBondContact O-N 2.8Å; L6-E9 WeakPolarHBondContact O-CB 3.49Å; L6-E9 PolarHBondContact O-N 3.4Å; L6-E9 VanDerWaalsContact O-N 3.14Å; E9-K11 PolarHBondContact O-N 2.76Å; E9-F12 WeakPolarHBondContact O-CB 3.42Å; E9-F12 PolarHBondContact O-N 3.24Å; E9-F12 VanDerWaalsContact O-N 3.17Å; E9-L13 WeakPolarHBondContact O-CG 3.09Å; E9-L13 PolarHBondContact O-N 3.01Å; E9-Y56 WeakPolarHBondContact OE1-CE1 3.38Å; E9-Y56 PolarHBondContact OE1-OH 2.92Å; E9-Y56 PolarHBondContact OE2-OH 3.22Å; E9-T87 HydrophobicContact CG-CG2 4.2Å; E9-T87 VanDerWaalsContact OE2-C 3.31Å; E9-T87 WeakPolarHBondContact OE2-CA 3.23Å; E9-L89 HydrophobicContact CB-CD2 4.43Å; E9-L89 WeakPolarHBondContact OE2-CB 3.34Å; E9-L90 HydrophobicContact CB-CD2 4.26Å; E9-L90 HydrophobicContact CB-CG 4.37Å; E9-L90 HydrophobicContact CG-CD1 4.43Å; E9-L90 HydrophobicContact CG-CG 4.23Å; E9-L119 HydrophobicContact CG-CD1 3.89Å; E9-L119 HydrophobicContact CG-CD2 4.2Å
10L89.1Confident79Confident1 Ų162.6 Ų62.61%0.00536%0.356CS..Hα-helixtrans-64.1-42.4-178.8-68.4162.5000112.4L6 F12 L13 E14 W29 L34 I52 L89L6-L10 HydrophobicContact CD1-CD1 4.09Å; L6-L10 HydrophobicContact CD1-CG 4.29Å; L6-L10 HydrophobicContact CG-CD1 3.89Å; L6-L10 WeakPolarHBondContact O-CG 3.19Å; L6-L10 PolarHBondContact O-N 3.32Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 2.7Å; L10-L13 WeakPolarHBondContact O-CB 3.35Å; L10-L13 PolarHBondContact O-N 2.95Å; L10-E14 PolarHBondContact O-N 3.16Å; L10-W29 HydrophobicContact CB-CD2 3.72Å; L10-W29 HydrophobicContact CB-CE3 3.47Å; L10-W29 VanDerWaalsContact CB-CE3 3.47Å; L10-W29 HydrophobicContact CB-CG 4.4Å; L10-W29 HydrophobicContact CB-CH2 3.97Å; L10-W29 HydrophobicContact CB-CZ2 4.22Å; L10-W29 HydrophobicContact CB-CZ3 3.6Å; L10-W29 HydrophobicContact CD1-CD2 4.45Å; L10-W29 HydrophobicContact CD1-CE3 3.51Å; L10-W29 HydrophobicContact CD1-CZ3 3.68Å; L10-W29 HydrophobicContact CD2-CB 4.24Å; L10-W29 HydrophobicContact CD2-CD2 4.48Å; L10-W29 HydrophobicContact CD2-CE3 4.26Å; L10-W29 HydrophobicContact CG-CD2 4.43Å; L10-W29 HydrophobicContact CG-CE3 3.92Å; L10-W29 HydrophobicContact CG-CZ3 4.23Å; L10-L34 HydrophobicContact CD2-CB 4.3Å; L10-L34 HydrophobicContact CD2-CD1 4.27Å; L10-L34 HydrophobicContact CD2-CD2 4.4Å; L10-I52 HydrophobicContact CD2-CD1 4.28Å; L10-L89 HydrophobicContact CD2-CD2 3.57Å; L10-L89 HydrophobicContact CG-CD2 4.04Å
11K88.2Confident79.2Confident123 Ų12360.1 Ų60.154%0.53534%0.341SS..Hα-helixtrans-63.3-36.6172.9-77.9-173.1171.6-161.10113K7 E9 E14 S15 W29K7-K11 WeakPolarHBondContact O-CB 3.42Å; K7-K11 WeakPolarHBondContact O-CG 3.45Å; K7-K11 PolarHBondContact O-N 3.22Å; K7-K11 VanDerWaalsContact O-N 3.14Å; E9-K11 PolarHBondContact O-N 2.76Å; K11-E14 PolarHBondContact O-N 2.99Å; K11-S15 PolarHBondContact O-N 2.93Å; K11-S15 VanDerWaalsContact O-N 3.11Å; K11-W29 HydrophobicContact CG-CH2 4.12Å; K11-W29 HydrophobicContact CG-CZ2 3.86Å
12F88.8Confident80.7Confident16 Ų1659.3 Ų59.37%0.0734%0.336CS..Hα-helixtrans-67.2-41.5177-177.1-119.6000111.1A8 E9 L10 E14 S15 I16 L90 M114 Q117 L119 P120A8-F12 VanDerWaalsContact O-CB 3.32Å; A8-F12 WeakPolarHBondContact O-CB 3.25Å; A8-F12 PolarHBondContact O-N 3.14Å; E9-F12 WeakPolarHBondContact O-CB 3.42Å; E9-F12 PolarHBondContact O-N 3.24Å; E9-F12 VanDerWaalsContact O-N 3.17Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-F12 PolarHBondContact O-N 2.7Å; F12-E14 PolarHBondContact O-N 3.5Å; F12-S15 PolarHBondContact O-N 2.98Å; F12-S15 PolarHBondContact O-OG 3.4Å; F12-I16 HydrophobicContact CD1-CD1 3.98Å; F12-I16 HydrophobicContact CD2-CD1 4.38Å; F12-I16 HydrophobicContact CE1-CD1 3.56Å; F12-I16 HydrophobicContact CE2-CD1 3.99Å; F12-I16 HydrophobicContact CG-CD1 4.38Å; F12-I16 HydrophobicContact CZ-CD1 3.58Å; F12-I16 WeakPolarHBondContact O-CG1 3.27Å; F12-I16 PolarHBondContact O-N 2.85Å; F12-L90 HydrophobicContact CD1-CD1 3.83Å; F12-L90 HydrophobicContact CD1-CD2 4.11Å; F12-L90 HydrophobicContact CE1-CD1 4.17Å; F12-M114 WeakPolarHBondContact CZ-O 3.36Å; F12-Q117 HydrophobicContact CZ-CB 4.31Å; F12-L119 HydrophobicContact CB-CD2 3.78Å; F12-L119 HydrophobicContact CD1-CD2 3.99Å; F12-L119 HydrophobicContact CG-CD2 3.99Å; F12-P120 HydrophobicContact CD2-CG 4.22Å
13L89.1Confident82.3Confident0 Ų058.6 Ų58.60%032%0.321CS..Hα-helixtrans-59-46173.6-71.7179.8000112.3E9 L10 S15 I16 F17 I26 L34 L89 L90 L93 L115E9-L13 WeakPolarHBondContact O-CG 3.09Å; E9-L13 PolarHBondContact O-N 3.01Å; L10-L13 WeakPolarHBondContact O-CB 3.35Å; L10-L13 PolarHBondContact O-N 2.95Å; L13-S15 VanDerWaalsContact C-N 3.25Å; L13-S15 PolarHBondContact O-N 3.21Å; L13-I16 PolarHBondContact O-N 2.89Å; L13-I16 VanDerWaalsContact O-N 3.13Å; L13-F17 HydrophobicContact CD2-CD2 4.39Å; L13-F17 HydrophobicContact CD2-CE2 4.25Å; L13-F17 PolarHBondContact O-N 3.06Å; L13-I26 HydrophobicContact CB-CD1 3.59Å; L13-I26 VanDerWaalsContact O-CD1 3.29Å; L13-I26 WeakPolarHBondContact O-CD1 3.3Å; L13-L34 HydrophobicContact CD1-CD2 3.97Å; L13-L89 HydrophobicContact CD1-CD2 3.81Å; L13-L89 HydrophobicContact CD1-CG 4.08Å; L13-L90 HydrophobicContact CD1-CD2 4.05Å; L13-L90 HydrophobicContact CD2-CD2 3.34Å; L13-L90 HydrophobicContact CG-CD2 3.46Å; L13-L90 VanDerWaalsContact CG-CD2 3.46Å; L13-L93 HydrophobicContact CD1-CD2 3.96Å; L13-L93 HydrophobicContact CD2-CD2 3.37Å; L13-L93 HydrophobicContact CG-CD2 4.26Å; L13-L115 HydrophobicContact CD2-CD2 3.46Å; L13-L115 VanDerWaalsContact CD2-CD2 3.46Å
14E86.8Confident83.6Confident102 Ų10253 Ų5348%0.47729%0.287SS..Hα-helixtrans-60.4-34.2176.1-174175.8-157.600112.6L10 K11 F12 I16 W29L10-E14 PolarHBondContact O-N 3.16Å; K11-E14 PolarHBondContact O-N 2.99Å; F12-E14 PolarHBondContact O-N 3.5Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 3.45Å; E14-W29 PolarHBondContact OE2-NE1 3.35Å
15S86.3Confident84.7Confident88 Ų8852.8 Ų52.862%0.61527%0.274SS*.Hα-helixtrans-71.4-20.8177.174.90000114.5K11 F12 L13K11-S15 PolarHBondContact O-N 2.93Å; K11-S15 VanDerWaalsContact O-N 3.11Å; F12-S15 PolarHBondContact O-N 2.98Å; F12-S15 PolarHBondContact O-OG 3.4Å; L13-S15 VanDerWaalsContact C-N 3.25Å; L13-S15 PolarHBondContact O-N 3.21Å
16I85.4Confident85.3Confident9 Ų952.5 Ų52.55%0.04627%0.268CS..Hα-helixtrans-97-43.1-179.6-63.1169.1000110.5F12 L13 E14 D111 M114 L115F12-I16 HydrophobicContact CD1-CD1 3.98Å; F12-I16 HydrophobicContact CD2-CD1 4.38Å; F12-I16 HydrophobicContact CE1-CD1 3.56Å; F12-I16 HydrophobicContact CE2-CD1 3.99Å; F12-I16 HydrophobicContact CG-CD1 4.38Å; F12-I16 HydrophobicContact CZ-CD1 3.58Å; F12-I16 WeakPolarHBondContact O-CG1 3.27Å; F12-I16 PolarHBondContact O-N 2.85Å; L13-I16 PolarHBondContact O-N 2.89Å; L13-I16 VanDerWaalsContact O-N 3.13Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 3.45Å; I16-D111 HydrophobicContact CG2-CB 3.84Å; I16-M114 HydrophobicContact CD1-CB 3.88Å; I16-M114 HydrophobicContact CG1-CB 4.35Å; I16-M114 HydrophobicContact CG1-CE 4.42Å; I16-L115 HydrophobicContact CD1-CD2 3.78Å
17F87.6Confident85.4Confident1 Ų156.3 Ų56.30%0.00429%0.287CS..SBendtrans-111.575.8-172.2-59.5-61.6000111.4L13 H21 F24 I26 L93 I97 L115L13-F17 HydrophobicContact CD2-CD2 4.39Å; L13-F17 HydrophobicContact CD2-CE2 4.25Å; L13-F17 PolarHBondContact O-N 3.06Å; F17-H21 AromaticContact CD1-CE1 3.65Å; F17-H21 AromaticContact CD1-ND1 3.81Å; F17-H21 AromaticContact CD1-NE2 3.85Å; F17-H21 AromaticContact CE1-CE1 3.82Å; F17-F24 HydrophobicContact CB-CD1 4.04Å; F17-F24 HydrophobicContact CD1-CB 4.1Å; F17-F24 AromaticContact CD1-CD1 3.88Å; F17-F24 HydrophobicContact CD1-CD1 3.88Å; F17-F24 HydrophobicContact CD1-CG 4.47Å; F17-F24 AromaticContact CD2-CD1 3.79Å; F17-F24 HydrophobicContact CD2-CD1 3.79Å; F17-F24 HydrophobicContact CD2-CE1 4.14Å; F17-F24 HydrophobicContact CE1-CB 4.24Å; F17-F24 HydrophobicContact CE1-CD1 4.25Å; F17-F24 HydrophobicContact CE2-CD1 4.14Å; F17-F24 AromaticContact CG-CD1 3.63Å; F17-F24 HydrophobicContact CG-CD1 3.63Å; F17-F24 HydrophobicContact CG-CE1 4.35Å; F17-F24 HydrophobicContact CZ-CD1 4.37Å; F17-I26 HydrophobicContact CB-CD1 3.91Å; F17-I26 HydrophobicContact CB-CG1 3.99Å; F17-I26 HydrophobicContact CD2-CD1 4.34Å; F17-I26 PolarHBondContact O-N 2.99Å; F17-L93 HydrophobicContact CD2-CD2 4.31Å; F17-L93 HydrophobicContact CE2-CD2 3.92Å; F17-I97 HydrophobicContact CE1-CD1 4.17Å; F17-I97 HydrophobicContact CE2-CD1 4.01Å; F17-I97 HydrophobicContact CZ-CD1 3.57Å; F17-L115 HydrophobicContact CE2-CD1 4Å; F17-L115 HydrophobicContact CE2-CD2 3.94Å; F17-L115 HydrophobicContact CE2-CG 4.29Å; F17-L115 HydrophobicContact CZ-CD1 4.01Å; F17-L115 HydrophobicContact CZ-CD2 4.48Å; F17-L115 HydrophobicContact CZ-CG 4.38Å
18D77.6Confident85.5Confident74 Ų7454.7 Ų54.740%0.39628%0.284SS..  trans-66.5163.9176.274.263000112.4N20 H21D18-N20 PolarHBondContact O-N 2.88Å; D18-N20 VanDerWaalsContact O-N 3.08Å; D18-N20 WeakPolarHBondContact OD1-CA 3.48Å; D18-N20 VanDerWaalsContact OD1-CB 3.26Å; D18-N20 WeakPolarHBondContact OD1-CB 3.27Å; D18-N20 PolarHBondContact OD1-N 3.46Å; D18-H21 VanDerWaalsContact O-CB 3.27Å; D18-H21 WeakPolarHBondContact O-CB 3.34Å; D18-H21 PolarHBondContact O-N 2.85Å; D18-H21 PolarHBondContact OD1-N 2.96Å
19P75.4Confident85.8Confident93 Ų9355 Ų5560%0.60428%0.277SS*.THydrogen-bonded Turntrans-60.2-19.2-179-26.436.1000115.3R25P19-R25 WeakPolarHBondContact O-CD 3.35Å; P19-R25 PolarHBondContact O-NE 3.29Å
20N77.2Confident85.7Confident135 Ų13558.8 Ų58.872%0.72229%0.293SS*.THydrogen-bonded Turntrans-96.4-6.6178.3-62.2-47000113.2D18 E22D18-N20 PolarHBondContact O-N 2.88Å; D18-N20 VanDerWaalsContact O-N 3.08Å; D18-N20 WeakPolarHBondContact OD1-CA 3.48Å; D18-N20 VanDerWaalsContact OD1-CB 3.26Å; D18-N20 WeakPolarHBondContact OD1-CB 3.27Å; D18-N20 PolarHBondContact OD1-N 3.46Å; N20-E22 PolarHBondContact O-N 3.36Å
21H82.4Confident85.4Confident11 Ų1162.5 Ų62.55%0.05132%0.317CS..  trans-55.4137.7-176.8-178.4-89.8000111.8F17 D18 R23 F24 R25 H109 D111F17-H21 AromaticContact CD1-CE1 3.65Å; F17-H21 AromaticContact CD1-ND1 3.81Å; F17-H21 AromaticContact CD1-NE2 3.85Å; F17-H21 AromaticContact CE1-CE1 3.82Å; D18-H21 VanDerWaalsContact O-CB 3.27Å; D18-H21 WeakPolarHBondContact O-CB 3.34Å; D18-H21 PolarHBondContact O-N 2.85Å; D18-H21 PolarHBondContact OD1-N 2.96Å; H21-R23 VanDerWaalsContact C-N 3.33Å; H21-R23 PolarHBondContact ND1-N 3.18Å; H21-R23 PolarHBondContact O-N 3.47Å; H21-F24 WeakPolarHBondContact CB-O 3.42Å; H21-F24 VanDerWaalsContact CG-O 3.29Å; H21-F24 PolarHBondContact ND1-N 3.22Å; H21-F24 VanDerWaalsContact ND1-N 3.12Å; H21-F24 PolarHBondContact ND1-O 3.01Å; H21-R25 HydrophobicContact CB-CG 4.49Å; H21-R25 VanDerWaalsContact O-CG 3.29Å; H21-R25 WeakPolarHBondContact O-CG 3.4Å; H21-R25 PolarHBondContact O-NE 3.03Å; H21-H109 AromaticContact NE2-CE1 3.87Å; H21-H109 AromaticContact NE2-CG 3.8Å; H21-H109 AromaticContact NE2-ND1 3.34Å; H21-H109 PolarHBondContact NE2-ND1 3.32Å; H21-D111 IonicContact CD2-OD2 2.91Å; H21-D111 PolarHBondContact CD2-OD2 2.98Å; H21-D111 IonicContact NE2-OD2 3.86Å; H21-D111 PolarHBondContact NE2-OD2 3.1Å
22E80.2Confident85.4Confident122 Ų12260.3 Ų60.357%0.5731%0.312SS*.SBendtrans-72.4-23.9-163.1-65.5-164.9165.800114.2N20 N39N20-E22 PolarHBondContact O-N 3.36Å; E22-N39 PolarHBondContact O-ND2 2.85Å; E22-N39 VanDerWaalsContact O-ND2 3.11Å
23R84.4Confident85.5Confident67 Ų6762.4 Ų62.425%0.25332%0.321SS..SBendtrans-119.3-37.3-171.5-69.9-66.4175.3-79.6-9114.6H21 F38 N39 H109H21-R23 VanDerWaalsContact C-N 3.33Å; H21-R23 PolarHBondContact ND1-N 3.18Å; H21-R23 PolarHBondContact O-N 3.47Å; R23-F38 WeakPolarHBondContact O-CA 3.32Å; R23-F38 WeakPolarHBondContact O-CD2 3.18Å; R23-N39 PolarHBondContact O-N 3.19Å; R23-H109 HydrophobicContact CG-CB 4.47Å
24F89.6Confident85.7Confident0 Ų062.4 Ų62.40%032%0.322CS..EExtended strand (participates in β ladder)trans-144.5127.7-175.4-172.3-94.2000109.5F17 H21 I26 C36 Q37 F38 I48 L93 I97F17-F24 HydrophobicContact CB-CD1 4.04Å; F17-F24 HydrophobicContact CD1-CB 4.1Å; F17-F24 AromaticContact CD1-CD1 3.88Å; F17-F24 HydrophobicContact CD1-CD1 3.88Å; F17-F24 HydrophobicContact CD1-CG 4.47Å; F17-F24 AromaticContact CD2-CD1 3.79Å; F17-F24 HydrophobicContact CD2-CD1 3.79Å; F17-F24 HydrophobicContact CD2-CE1 4.14Å; F17-F24 HydrophobicContact CE1-CB 4.24Å; F17-F24 HydrophobicContact CE1-CD1 4.25Å; F17-F24 HydrophobicContact CE2-CD1 4.14Å; F17-F24 AromaticContact CG-CD1 3.63Å; F17-F24 HydrophobicContact CG-CD1 3.63Å; F17-F24 HydrophobicContact CG-CE1 4.35Å; F17-F24 HydrophobicContact CZ-CD1 4.37Å; H21-F24 WeakPolarHBondContact CB-O 3.42Å; H21-F24 VanDerWaalsContact CG-O 3.29Å; H21-F24 PolarHBondContact ND1-N 3.22Å; H21-F24 VanDerWaalsContact ND1-N 3.12Å; H21-F24 PolarHBondContact ND1-O 3.01Å; F24-I26 HydrophobicContact CE1-CG1 4.24Å; F24-C36 HydrophobicContact CE1-CB 3.84Å; F24-C36 HydrophobicContact CE2-CB 3.68Å; F24-C36 HydrophobicContact CZ-CB 3.16Å; F24-C36 WeakPolarHBondContact CZ-SG 3.27Å; F24-Q37 CarbonylContact C-O 3.55Å; F24-Q37 WeakPolarHBondContact CA-O 2.99Å; F24-F38 HydrophobicContact CD2-CB 4.2Å; F24-F38 HydrophobicContact CD2-CD2 4.04Å; F24-I48 HydrophobicContact CE2-CD1 4.4Å; F24-L93 HydrophobicContact CE1-CD1 3.77Å; F24-L93 HydrophobicContact CE1-CD2 3.92Å; F24-L93 HydrophobicContact CE1-CG 4.34Å; F24-L93 HydrophobicContact CE2-CD1 3.87Å; F24-L93 HydrophobicContact CZ-CD1 3.22Å; F24-L93 HydrophobicContact CZ-CD2 4.24Å; F24-L93 HydrophobicContact CZ-CG 4.24Å; F24-I97 HydrophobicContact CB-CD1 4.14Å; F24-I97 HydrophobicContact CB-CG1 4.48Å; F24-I97 HydrophobicContact CD1-CD1 3.92Å; F24-I97 HydrophobicContact CD2-CD1 4.04Å; F24-I97 HydrophobicContact CD2-CG1 3.85Å; F24-I97 HydrophobicContact CE1-CD1 4.31Å; F24-I97 HydrophobicContact CE2-CD1 4.4Å; F24-I97 HydrophobicContact CE2-CG1 4.16Å; F24-I97 HydrophobicContact CG-CD1 3.75Å; F24-I97 HydrophobicContact CG-CG1 4.06Å
25R89Confident85.9Confident70 Ų7058.2 Ų58.226%0.26430%0.304SS..EExtended strand (participates in β ladder)trans-127.6140.6-175.2-61164.7177.7-170.9-9.6109P19 H21 C36 Q37 N39P19-R25 WeakPolarHBondContact O-CD 3.35Å; P19-R25 PolarHBondContact O-NE 3.29Å; H21-R25 HydrophobicContact CB-CG 4.49Å; H21-R25 VanDerWaalsContact O-CG 3.29Å; H21-R25 WeakPolarHBondContact O-CG 3.4Å; H21-R25 PolarHBondContact O-NE 3.03Å; R25-C36 CarbonylContact O-C 3.57Å; R25-C36 VanDerWaalsContact O-CA 3.28Å; R25-C36 WeakPolarHBondContact O-CA 3.35Å; R25-Q37 HydrophobicContact CB-CB 4.3Å; R25-Q37 PolarHBondContact N-O 3.23Å; R25-Q37 PolarHBondContact O-N 3.46Å; R25-N39 PolarHBondContact NE-ND2 3.48Å
26I90.2Very high86.3Confident15 Ų1554 Ų548%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-90.4123.8169.7-65.2168.3000107.3L13 F17 F24 L34L13-I26 HydrophobicContact CB-CD1 3.59Å; L13-I26 VanDerWaalsContact O-CD1 3.29Å; L13-I26 WeakPolarHBondContact O-CD1 3.3Å; F17-I26 HydrophobicContact CB-CD1 3.91Å; F17-I26 HydrophobicContact CB-CG1 3.99Å; F17-I26 HydrophobicContact CD2-CD1 4.34Å; F17-I26 PolarHBondContact O-N 2.99Å; F24-I26 HydrophobicContact CE1-CG1 4.24Å; I26-L34 HydrophobicContact CG2-CD1 3.99Å
27I87Confident86.6Confident97 Ų9755.2 Ų55.250%0.49728%0.28SS..EExtended strand (participates in β ladder)trans-87-51.2-179.5-54.1175.9000109.2S35 Q37 I47I27-S35 PolarHBondContact N-O 2.99Å; I27-Q37 HydrophobicContact CD1-CB 4Å; I27-Q37 HydrophobicContact CG1-CB 4.05Å; I27-I47 HydrophobicContact CD1-CD1 4.1Å; I27-I47 HydrophobicContact CD1-CG2 4.41Å
28D87.7Confident86.7Confident81 Ų8155.2 Ų55.243%0.43328%0.279SS..EExtended strand (participates in β ladder)trans-157.5152.8-179.4-174.529.6000109.3S35D28-S35 PolarHBondContact N-O 3.21Å; D28-S35 PolarHBondContact O-N 3.29Å
29W90.4Very high87.2Confident47 Ų4752.5 Ų52.518%0.17827%0.265CS..EExtended strand (participates in β ladder)trans-147.2143.4174.573.1-97000112.8K7 L10 K11 E14 E33 L34K7-W29 HydrophobicContact CG-CH2 4.1Å; K7-W29 HydrophobicContact CG-CZ3 4.45Å; L10-W29 HydrophobicContact CB-CD2 3.72Å; L10-W29 HydrophobicContact CB-CE3 3.47Å; L10-W29 VanDerWaalsContact CB-CE3 3.47Å; L10-W29 HydrophobicContact CB-CG 4.4Å; L10-W29 HydrophobicContact CB-CH2 3.97Å; L10-W29 HydrophobicContact CB-CZ2 4.22Å; L10-W29 HydrophobicContact CB-CZ3 3.6Å; L10-W29 HydrophobicContact CD1-CD2 4.45Å; L10-W29 HydrophobicContact CD1-CE3 3.51Å; L10-W29 HydrophobicContact CD1-CZ3 3.68Å; L10-W29 HydrophobicContact CD2-CB 4.24Å; L10-W29 HydrophobicContact CD2-CD2 4.48Å; L10-W29 HydrophobicContact CD2-CE3 4.26Å; L10-W29 HydrophobicContact CG-CD2 4.43Å; L10-W29 HydrophobicContact CG-CE3 3.92Å; L10-W29 HydrophobicContact CG-CZ3 4.23Å; K11-W29 HydrophobicContact CG-CH2 4.12Å; K11-W29 HydrophobicContact CG-CZ2 3.86Å; E14-W29 PolarHBondContact OE2-NE1 3.35Å; W29-E33 CarbonylContact C-O 3.56Å; W29-E33 WeakPolarHBondContact CA-O 3.41Å; W29-L34 HydrophobicContact CB-CD1 3.62Å
30K87Confident87.6Confident83 Ų8348.6 Ų48.636%0.36124%0.239SC..  trans-135.3165.4176.5-63.8175.6-171.9163.60108.9D32 E33K30-D32 VanDerWaalsContact CB-OD1 3.25Å; K30-D32 WeakPolarHBondContact CB-OD1 3.21Å; K30-D32 PolarHBondContact O-N 3.45Å; K30-D32 VanDerWaalsContact O-N 3.15Å; K30-E33 CarbonylContact C-O 3.54Å; K30-E33 PolarHBondContact N-O 3.03Å; K30-E33 PolarHBondContact O-N 3.08Å
31P83.3Confident87.6Confident78 Ų7846 Ų4651%0.50623%0.229SC..SBendtrans-59.8-23.1177.6-24.735.6000114.3L6L6-P31 VanDerWaalsContact CD2-O 3.24Å; L6-P31 WeakPolarHBondContact CD2-O 3.45Å
32D88.7Confident86.9Confident78 Ų7857.8 Ų57.842%0.41727%0.273SS..SBendtrans-106-12.4-178.759.3-35.5000113.8K30 N51 I52K30-D32 VanDerWaalsContact CB-OD1 3.25Å; K30-D32 WeakPolarHBondContact CB-OD1 3.21Å; K30-D32 PolarHBondContact O-N 3.45Å; K30-D32 VanDerWaalsContact O-N 3.15Å; D32-N51 PolarHBondContact O-OD1 3.19Å; D32-N51 VanDerWaalsContact O-OD1 3.11Å; D32-I52 WeakPolarHBondContact CA-O 3.43Å; D32-I52 PolarHBondContact O-N 3.04Å
33E90.8Very high86.4Confident59 Ų5961 Ų6128%0.27629%0.288SS..EExtended strand (participates in β ladder)trans-148.9140.7-175.4-172.3175.2-173.200112.4W29 K30 H49 C50W29-E33 CarbonylContact C-O 3.56Å; W29-E33 WeakPolarHBondContact CA-O 3.41Å; K30-E33 CarbonylContact C-O 3.54Å; K30-E33 PolarHBondContact N-O 3.03Å; K30-E33 PolarHBondContact O-N 3.08Å; E33-H49 IonicContact OE1-ND1 3.85Å; E33-C50 CarbonylContact C-O 3.52Å; E33-C50 VanDerWaalsContact CA-O 3.28Å; E33-C50 WeakPolarHBondContact CA-O 3.17Å
34L92.4Very high86.2Confident1 Ų161.7 Ų61.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-128121.6171.416967.7000108.6L10 L13 I26 W29 C36 H49 C50 I52 W63 L89L10-L34 HydrophobicContact CD2-CB 4.3Å; L10-L34 HydrophobicContact CD2-CD1 4.27Å; L10-L34 HydrophobicContact CD2-CD2 4.4Å; L13-L34 HydrophobicContact CD1-CD2 3.97Å; I26-L34 HydrophobicContact CG2-CD1 3.99Å; W29-L34 HydrophobicContact CB-CD1 3.62Å; L34-C36 VanDerWaalsContact CG-SG 3.52Å; L34-H49 CarbonylContact O-C 3.55Å; L34-C50 HydrophobicContact CB-CB 4.05Å; L34-C50 PolarHBondContact N-O 3.06Å; L34-C50 PolarHBondContact O-N 2.78Å; L34-I52 HydrophobicContact CB-CD1 4.45Å; L34-W63 HydrophobicContact CD2-CH2 4.14Å; L34-L89 HydrophobicContact CD2-CD1 4.14Å; L34-L89 HydrophobicContact CD2-CD2 4.43Å
35S91.8Very high86.1Confident14 Ų1465.8 Ų65.810%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-109.6125.5177.9-71.40000110.4I27 D28 H49I27-S35 PolarHBondContact N-O 2.99Å; D28-S35 PolarHBondContact N-O 3.21Å; D28-S35 PolarHBondContact O-N 3.29Å; S35-H49 PolarHBondContact OG-CE1 3.14Å; S35-H49 PolarHBondContact OG-ND1 3.43Å
36C93.4Very high86.2Confident0 Ų062.7 Ų62.70%030%0.303CS..EExtended strand (participates in β ladder)trans-133.5160.5-174.6-520000112F24 R25 L34 I48F24-C36 HydrophobicContact CE1-CB 3.84Å; F24-C36 HydrophobicContact CE2-CB 3.68Å; F24-C36 HydrophobicContact CZ-CB 3.16Å; F24-C36 WeakPolarHBondContact CZ-SG 3.27Å; R25-C36 CarbonylContact O-C 3.57Å; R25-C36 VanDerWaalsContact O-CA 3.28Å; R25-C36 WeakPolarHBondContact O-CA 3.35Å; L34-C36 VanDerWaalsContact CG-SG 3.52Å; C36-I48 HydrophobicContact CB-CB 4.45Å; C36-I48 PolarHBondContact N-O 3.47Å; C36-I48 PolarHBondContact O-N 3.46Å
37Q91.7Very high86.2Confident34 Ų3464.3 Ų64.316%0.15931%0.311CS..EExtended strand (participates in β ladder)trans-124.8128.3175.8-177.717546.100109.6F24 R25 I27 L45 L46 I47F24-Q37 CarbonylContact C-O 3.55Å; F24-Q37 WeakPolarHBondContact CA-O 2.99Å; R25-Q37 HydrophobicContact CB-CB 4.3Å; R25-Q37 PolarHBondContact N-O 3.23Å; R25-Q37 PolarHBondContact O-N 3.46Å; I27-Q37 HydrophobicContact CD1-CB 4Å; I27-Q37 HydrophobicContact CG1-CB 4.05Å; Q37-L45 HydrophobicContact CG-CB 4.49Å; Q37-L45 HydrophobicContact CG-CD2 4.38Å; Q37-L46 CarbonylContact C-O 3.47Å; Q37-L46 WeakPolarHBondContact CA-O 3.3Å; Q37-I47 HydrophobicContact CB-CD1 4.31Å; Q37-I47 HydrophobicContact CG-CD1 4.07Å
38F91.2Very high86.5Confident0 Ų059.7 Ų59.70%029%0.287CS..EExtended strand (participates in β ladder)trans-108.2127171.3-176.8-90.5000110.3R23 F24 V40 L46 I48 I97 L100 Y104 L106R23-F38 WeakPolarHBondContact O-CA 3.32Å; R23-F38 WeakPolarHBondContact O-CD2 3.18Å; F24-F38 HydrophobicContact CD2-CB 4.2Å; F24-F38 HydrophobicContact CD2-CD2 4.04Å; F38-V40 HydrophobicContact CD1-CG2 3.77Å; F38-V40 HydrophobicContact CE1-CG2 3.97Å; F38-L46 HydrophobicContact CB-CB 4.33Å; F38-L46 HydrophobicContact CD1-CD1 4.33Å; F38-L46 PolarHBondContact N-O 3.44Å; F38-L46 PolarHBondContact O-N 3.08Å; F38-I48 HydrophobicContact CB-CD1 3.87Å; F38-I97 HydrophobicContact CE2-CG2 4.28Å; F38-L100 HydrophobicContact CB-CD1 4.17Å; F38-L100 HydrophobicContact CD1-CB 4.26Å; F38-L100 HydrophobicContact CD1-CD1 4.22Å; F38-L100 HydrophobicContact CD2-CB 4.28Å; F38-L100 HydrophobicContact CD2-CD1 3.94Å; F38-L100 HydrophobicContact CE1-CB 3.88Å; F38-L100 HydrophobicContact CE2-CB 3.9Å; F38-L100 HydrophobicContact CE2-CD1 4.39Å; F38-L100 HydrophobicContact CG-CB 4.45Å; F38-L100 HydrophobicContact CG-CD1 3.84Å; F38-L100 HydrophobicContact CZ-CB 3.69Å; F38-Y104 HydrophobicContact CE1-CD2 4.24Å; F38-L106 HydrophobicContact CE1-CD1 3.97Å; F38-L106 HydrophobicContact CZ-CD1 4.05Å
39N88.3Confident86.7Confident17 Ų1758.6 Ų58.69%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-92106.9-177-61.9-12.9000109.7E22 R23 R25 L45E22-N39 PolarHBondContact O-ND2 2.85Å; E22-N39 VanDerWaalsContact O-ND2 3.11Å; R23-N39 PolarHBondContact O-N 3.19Å; R25-N39 PolarHBondContact NE-ND2 3.48Å; N39-L45 HydrophobicContact CB-CD2 4.25Å; N39-L45 WeakPolarHBondContact OD1-CD2 3.44Å
40V83.8Confident86.8Confident11 Ų1156.4 Ų56.47%0.06727%0.271CS..SBendtrans-83.9-49.7179.2-176.20000110.4F38 K44 L46 Y104F38-V40 HydrophobicContact CD1-CG2 3.77Å; F38-V40 HydrophobicContact CE1-CG2 3.97Å; V40-K44 HydrophobicContact CB-CB 4.24Å; V40-K44 HydrophobicContact CB-CD 4.34Å; V40-K44 HydrophobicContact CB-CG 4.23Å; V40-K44 WeakPolarHBondContact CB-O 3.35Å; V40-K44 HydrophobicContact CG1-CD 4.28Å; V40-K44 PolarHBondContact N-O 3.24Å; V40-L46 HydrophobicContact CG2-CD1 3.59Å; V40-L46 HydrophobicContact CG2-CG 3.72Å; V40-Y104 HydrophobicContact CG1-CD1 3.52Å; V40-Y104 HydrophobicContact CG1-CD2 3.9Å; V40-Y104 HydrophobicContact CG1-CE1 4.03Å; V40-Y104 HydrophobicContact CG1-CE2 4.34Å; V40-Y104 HydrophobicContact CG1-CG 3.46Å; V40-Y104 VanDerWaalsContact CG1-CG 3.46Å; V40-Y104 HydrophobicContact CG2-CD2 3.85Å; V40-Y104 HydrophobicContact CG2-CE2 3.81Å; V40-Y104 HydrophobicContact CG2-CG 4.29Å
41T77.4Confident86.9Confident82 Ų8256.1 Ų56.150%0.50327%0.274SS..SBendtrans-143.4174.3172.861.70000109.2E43 K44T41-E43 PolarHBondContact O-N 2.71Å; T41-K44 PolarHBondContact N-O 3.48Å; T41-K44 VanDerWaalsContact N-O 3.15Å; T41-K44 PolarHBondContact O-N 3.36Å; T41-K44 WeakPolarHBondContact OG1-CB 3.42Å; T41-K44 PolarHBondContact OG1-N 3.49Å; T41-K44 VanDerWaalsContact OG1-N 3.12Å
42R66.3Low87.2Confident258 Ų25852.6 Ų52.697%0.97425%0.25SS*.SBendtrans-57.7-18.7177-71-172.5179.2-168.3-0.7113.9
43E69.8Low87.1Confident189 Ų18951 Ų5188%0.88324%0.243SC*.SBendtrans-116.4-14.6-178-62.7-178.6174.400113.4T41T41-E43 PolarHBondContact O-N 2.71Å
44K80.8Confident86.6Confident82 Ų8258 Ų5836%0.35728%0.277SS..  trans-114.9116-179.8-170.5178.1179.3-175.50110.9V40 T41V40-K44 HydrophobicContact CB-CB 4.24Å; V40-K44 HydrophobicContact CB-CD 4.34Å; V40-K44 HydrophobicContact CB-CG 4.23Å; V40-K44 WeakPolarHBondContact CB-O 3.35Å; V40-K44 HydrophobicContact CG1-CD 4.28Å; V40-K44 PolarHBondContact N-O 3.24Å; T41-K44 PolarHBondContact N-O 3.48Å; T41-K44 VanDerWaalsContact N-O 3.15Å; T41-K44 PolarHBondContact O-N 3.36Å; T41-K44 WeakPolarHBondContact OG1-CB 3.42Å; T41-K44 PolarHBondContact OG1-N 3.49Å; T41-K44 VanDerWaalsContact OG1-N 3.12Å
45L88.3Confident86.1Confident86 Ų8660.4 Ų60.445%0.4529%0.293SS..EExtended strand (participates in β ladder)trans-119.5136-179.7-60.1164000108.3Q37 N39Q37-L45 HydrophobicContact CG-CB 4.49Å; Q37-L45 HydrophobicContact CG-CD2 4.38Å; N39-L45 HydrophobicContact CB-CD2 4.25Å; N39-L45 WeakPolarHBondContact OD1-CD2 3.44Å
46L89.8Confident85.6Confident5 Ų560.7 Ų60.73%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-107.4125.1173.7-66.4175.9000108.9Q37 F38 V40 V65 L72 L100 Y104Q37-L46 CarbonylContact C-O 3.47Å; Q37-L46 WeakPolarHBondContact CA-O 3.3Å; F38-L46 HydrophobicContact CB-CB 4.33Å; F38-L46 HydrophobicContact CD1-CD1 4.33Å; F38-L46 PolarHBondContact N-O 3.44Å; F38-L46 PolarHBondContact O-N 3.08Å; V40-L46 HydrophobicContact CG2-CD1 3.59Å; V40-L46 HydrophobicContact CG2-CG 3.72Å; L46-V65 HydrophobicContact CB-CG1 4.43Å; L46-V65 HydrophobicContact CD2-CG1 4.28Å; L46-L72 HydrophobicContact CD1-CD1 4.25Å; L46-L72 HydrophobicContact CD1-CD2 4.1Å; L46-L72 HydrophobicContact CD2-CD1 4.05Å; L46-L100 HydrophobicContact CD1-CD2 4.35Å; L46-Y104 HydrophobicContact CD1-CE2 3.54Å
47I90.2Very high84.9Confident49 Ų4961.8 Ų61.825%0.25130%0.3SS..EExtended strand (participates in β ladder)trans-93.2125.4173-52.1-58.3000108.1I27 Q37 H49 V65 D66I27-I47 HydrophobicContact CD1-CD1 4.1Å; I27-I47 HydrophobicContact CD1-CG2 4.41Å; Q37-I47 HydrophobicContact CB-CD1 4.31Å; Q37-I47 HydrophobicContact CG-CD1 4.07Å; I47-H49 VanDerWaalsContact CG2-NE2 3.33Å; I47-H49 WeakPolarHBondContact CG2-NE2 3.15Å; I47-V65 WeakPolarHBondContact O-CA 3.41Å; I47-D66 HydrophobicContact CB-CB 4.36Å; I47-D66 PolarHBondContact O-N 3.31Å
48I93.3Very high84.3Confident0 Ų067.9 Ų67.90%033%0.332CS..EExtended strand (participates in β ladder)trans-121.8127.2-173.1-49.7-171.6000108F24 C36 F38 W63 F64 V65 L96 L100F24-I48 HydrophobicContact CE2-CD1 4.4Å; C36-I48 HydrophobicContact CB-CB 4.45Å; C36-I48 PolarHBondContact N-O 3.47Å; C36-I48 PolarHBondContact O-N 3.46Å; F38-I48 HydrophobicContact CB-CD1 3.87Å; I48-W63 HydrophobicContact CG2-CE3 3.85Å; I48-W63 HydrophobicContact CG2-CZ3 4.28Å; I48-F64 CarbonylContact C-O 3.56Å; I48-F64 VanDerWaalsContact CA-O 3.28Å; I48-F64 WeakPolarHBondContact CA-O 3.4Å; I48-F64 WeakPolarHBondContact CG2-O 3.42Å; I48-V65 HydrophobicContact CD1-CG2 4.45Å; I48-V65 HydrophobicContact CG1-CG2 4.06Å; I48-V65 HydrophobicContact CG2-CG2 4.27Å; I48-L96 HydrophobicContact CD1-CD2 4.2Å; I48-L96 HydrophobicContact CG2-CD2 3.84Å; I48-L100 HydrophobicContact CD1-CD1 3.53Å
49H91.8Very high83.9Confident57 Ų5770.5 Ų70.526%0.26435%0.349SS..EExtended strand (participates in β ladder)trans-115.9141.7177.3-62-80.3000110.1E33 L34 S35 I47 W63 F64E33-H49 IonicContact OE1-ND1 3.85Å; L34-H49 CarbonylContact O-C 3.55Å; S35-H49 PolarHBondContact OG-CE1 3.14Å; S35-H49 PolarHBondContact OG-ND1 3.43Å; I47-H49 VanDerWaalsContact CG2-NE2 3.33Å; I47-H49 WeakPolarHBondContact CG2-NE2 3.15Å; H49-W63 CarbonylContact O-C 3.59Å; H49-W63 WeakPolarHBondContact O-CA 3.38Å; H49-F64 HydrophobicContact CB-CB 4.49Å; H49-F64 PolarHBondContact N-O 3.47Å; H49-F64 PolarHBondContact O-N 2.88Å
50C93Very high83.7Confident1 Ų171.9 Ų71.91%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-128.4122.3178.2169.50000108.9E33 L34 P61 I62 W63E33-C50 CarbonylContact C-O 3.52Å; E33-C50 VanDerWaalsContact CA-O 3.28Å; E33-C50 WeakPolarHBondContact CA-O 3.17Å; L34-C50 HydrophobicContact CB-CB 4.05Å; L34-C50 PolarHBondContact N-O 3.06Å; L34-C50 PolarHBondContact O-N 2.78Å; C50-P61 WeakPolarHBondContact SG-CB 3.36Å; C50-I62 CarbonylContact C-O 3.5Å; C50-I62 VanDerWaalsContact CA-O 3.3Å; C50-I62 WeakPolarHBondContact CA-O 3.41Å; C50-W63 HydrophobicContact CB-CD2 3.89Å; C50-W63 HydrophobicContact CB-CE3 3.63Å; C50-W63 HydrophobicContact CB-CH2 4.02Å; C50-W63 HydrophobicContact CB-CZ2 4.28Å; C50-W63 HydrophobicContact CB-CZ3 3.69Å
51N90Very high83.9Confident77 Ų7771.6 Ų71.641%0.41236%0.357SS..EExtended strand (participates in β ladder)trans-100.2129.5175.2-170.8-24000109.9D32 P61 I62 F64D32-N51 PolarHBondContact O-OD1 3.19Å; D32-N51 VanDerWaalsContact O-OD1 3.11Å; N51-P61 WeakPolarHBondContact O-CA 3.38Å; N51-I62 PolarHBondContact N-O 3.3Å; N51-I62 PolarHBondContact O-N 2.82Å; N51-F64 HydrophobicContact CB-CE2 4.4Å
52I89.7Confident84.5Confident4 Ų471.7 Ų71.72%0.02135%0.353CS..  trans-114.9115.4-176.2-55.4155.2000108.3L6 L10 D32 L34 Y56 P61 L89L6-I52 HydrophobicContact CD1-CD1 4.18Å; L6-I52 HydrophobicContact CD1-CG2 4.16Å; L6-I52 HydrophobicContact CD2-CG2 3.6Å; L10-I52 HydrophobicContact CD2-CD1 4.28Å; D32-I52 WeakPolarHBondContact CA-O 3.43Å; D32-I52 PolarHBondContact O-N 3.04Å; L34-I52 HydrophobicContact CB-CD1 4.45Å; I52-Y56 HydrophobicContact CG2-CD1 4.48Å; I52-Y56 HydrophobicContact CG2-CD2 4.01Å; I52-Y56 HydrophobicContact CG2-CG 3.82Å; I52-P61 HydrophobicContact CG1-CB 4.26Å; I52-L89 HydrophobicContact CD1-CD1 4.27Å; I52-L89 HydrophobicContact CD1-CD2 4.24Å; I52-L89 HydrophobicContact CG1-CD1 4.46Å
53T85.3Confident85.6Confident44 Ų4460.2 Ų60.227%0.2731%0.31SS..  trans-78.1155.8-179.373.50000111.7S55 Y56T53-S55 PolarHBondContact O-N 3.04Å; T53-S55 PolarHBondContact OG1-N 3.26Å; T53-S55 PolarHBondContact OG1-OG 3.06Å; T53-Y56 WeakPolarHBondContact O-CB 3.12Å; T53-Y56 PolarHBondContact O-N 3.13Å
54E81.3Confident86.5Confident208 Ų20855.1 Ų55.197%0.97229%0.285SS*.THydrogen-bonded Turntrans-57.4-21.8173.7-62-176.7172.400113.6Y56E54-Y56 VanDerWaalsContact C-N 3.25Å; E54-Y56 PolarHBondContact O-N 3.3Å
55S80.7Confident87Confident51 Ų5152.5 Ų52.536%0.35728%0.276SS..THydrogen-bonded Turntrans-80.80.8176.6640000114T53 L58 T59T53-S55 PolarHBondContact O-N 3.04Å; T53-S55 PolarHBondContact OG1-N 3.26Å; T53-S55 PolarHBondContact OG1-OG 3.06Å; S55-L58 WeakPolarHBondContact O-CA 3.29Å; S55-L58 WeakPolarHBondContact O-CB 3.47Å; S55-L58 PolarHBondContact O-N 2.87Å; S55-T59 PolarHBondContact O-N 3.37Å; S55-T59 WeakPolarHBondContact OG-CB 3.42Å; S55-T59 PolarHBondContact OG-OG1 2.81Å
56Y82Confident86.8Confident19 Ų1953 Ų538%0.07528%0.279CS..THydrogen-bonded Turntrans-58.6137174.1-178-90.9000111.4L6 E9 I52 T53 E54 P61 L88 L89L6-Y56 HydrophobicContact CB-CD1 4.08Å; L6-Y56 HydrophobicContact CB-CE1 4.13Å; L6-Y56 HydrophobicContact CD1-CD1 3.88Å; L6-Y56 HydrophobicContact CD1-CE1 3.66Å; L6-Y56 HydrophobicContact CD2-CD1 4.2Å; L6-Y56 HydrophobicContact CG-CD1 4.27Å; L6-Y56 HydrophobicContact CG-CE1 4.38Å; E9-Y56 WeakPolarHBondContact OE1-CE1 3.38Å; E9-Y56 PolarHBondContact OE1-OH 2.92Å; E9-Y56 PolarHBondContact OE2-OH 3.22Å; I52-Y56 HydrophobicContact CG2-CD1 4.48Å; I52-Y56 HydrophobicContact CG2-CD2 4.01Å; I52-Y56 HydrophobicContact CG2-CG 3.82Å; T53-Y56 WeakPolarHBondContact O-CB 3.12Å; T53-Y56 PolarHBondContact O-N 3.13Å; E54-Y56 VanDerWaalsContact C-N 3.25Å; E54-Y56 PolarHBondContact O-N 3.3Å; Y56-P61 HydrophobicContact CD2-CG 3.85Å; Y56-P61 HydrophobicContact CE2-CG 3.62Å; Y56-L88 HydrophobicContact CE2-CB 3.85Å; Y56-L88 PolarHBondContact OH-N 3.2Å; Y56-L89 HydrophobicContact CE2-CB 4.39Å; Y56-L89 PolarHBondContact OH-N 3.01Å
57P78.3Confident86.5Confident24 Ų2455 Ų5516%0.15629%0.293CS..THydrogen-bonded Turncis-92.813.75.637.9-38.2000114.5M1 T59 L88M1-P57 HydrophobicContact CB-CG 4.45Å; M1-P57 HydrophobicContact CE-CG 3.83Å; P57-T59 VanDerWaalsContact C-N 3.34Å; P57-L88 HydrophobicContact CB-CD1 4.02Å; P57-L88 WeakPolarHBondContact O-CD1 3.07Å
58L80.3Confident85.9Confident161 Ų16160.7 Ų60.784%0.84332%0.324SS*.THydrogen-bonded Turntrans-69.3-36.1178.4-63166.4000111.6S55S55-L58 WeakPolarHBondContact O-CA 3.29Å; S55-L58 WeakPolarHBondContact O-CB 3.47Å; S55-L58 PolarHBondContact O-N 2.87Å
59T82Confident85.4Confident56 Ų5662.6 Ų62.634%0.34434%0.335SS..SBendtrans-105.4129.1172.5-53.40000108.9S55 P57S55-T59 PolarHBondContact O-N 3.37Å; S55-T59 WeakPolarHBondContact OG-CB 3.42Å; S55-T59 PolarHBondContact OG-OG1 2.81Å; P57-T59 VanDerWaalsContact C-N 3.34Å
60P83.3Confident84.9Confident45 Ų4565 Ų6529%0.29236%0.355SS..  trans-66.4149.1179.627.3-33.8000111.4
61P88.4Confident84.6Confident6 Ų667.2 Ų67.24%0.03937%0.371CS..  trans-58.5149.1168.9-19.328.8000112.1C50 N51 I52 Y56 L89 Q92C50-P61 WeakPolarHBondContact SG-CB 3.36Å; N51-P61 WeakPolarHBondContact O-CA 3.38Å; I52-P61 HydrophobicContact CG1-CB 4.26Å; Y56-P61 HydrophobicContact CD2-CG 3.85Å; Y56-P61 HydrophobicContact CE2-CG 3.62Å; P61-L89 HydrophobicContact CB-CD1 4.28Å; P61-L89 HydrophobicContact CG-CB 4.45Å; P61-L89 HydrophobicContact CG-CD1 4.03Å; P61-Q92 VanDerWaalsContact CD-OE1 3.27Å; P61-Q92 PolarHBondContact O-OE1 3.46Å
62I89.4Confident84.5Confident83 Ų8363.8 Ų63.843%0.42635%0.353SS..EExtended strand (participates in β ladder)trans-109.3120.9-178.4-48.8175.7000108.9C50 N51 F64C50-I62 CarbonylContact C-O 3.5Å; C50-I62 VanDerWaalsContact CA-O 3.3Å; C50-I62 WeakPolarHBondContact CA-O 3.41Å; N51-I62 PolarHBondContact N-O 3.3Å; N51-I62 PolarHBondContact O-N 2.82Å; I62-F64 HydrophobicContact CB-CE2 3.91Å; I62-F64 HydrophobicContact CB-CZ 4.11Å; I62-F64 HydrophobicContact CG2-CD2 4.44Å; I62-F64 HydrophobicContact CG2-CE1 4.05Å; I62-F64 HydrophobicContact CG2-CE2 3.51Å; I62-F64 HydrophobicContact CG2-CZ 3.28Å; I62-F64 WeakPolarHBondContact O-CE2 3.46Å
63W91.3Very high84.3Confident17 Ų1766.4 Ų66.46%0.06438%0.375CS..EExtended strand (participates in β ladder)trans-101.8143.6-175.3-63.683.4000112L34 I48 H49 C50 L76 L79 L89 Q92 L93 L96L34-W63 HydrophobicContact CD2-CH2 4.14Å; I48-W63 HydrophobicContact CG2-CE3 3.85Å; I48-W63 HydrophobicContact CG2-CZ3 4.28Å; H49-W63 CarbonylContact O-C 3.59Å; H49-W63 WeakPolarHBondContact O-CA 3.38Å; C50-W63 HydrophobicContact CB-CD2 3.89Å; C50-W63 HydrophobicContact CB-CE3 3.63Å; C50-W63 HydrophobicContact CB-CH2 4.02Å; C50-W63 HydrophobicContact CB-CZ2 4.28Å; C50-W63 HydrophobicContact CB-CZ3 3.69Å; W63-L76 HydrophobicContact CB-CD2 3.65Å; W63-L79 HydrophobicContact CB-CD1 3.84Å; W63-L79 HydrophobicContact CD2-CD1 4.23Å; W63-L79 HydrophobicContact CG-CD1 3.61Å; W63-L89 HydrophobicContact CH2-CD1 4.26Å; W63-L89 HydrophobicContact CZ2-CD1 3.84Å; W63-Q92 HydrophobicContact CZ2-CB 4.14Å; W63-L93 HydrophobicContact CH2-CB 3.78Å; W63-L93 HydrophobicContact CH2-CD1 3.38Å; W63-L93 HydrophobicContact CH2-CG 4.12Å; W63-L93 HydrophobicContact CZ2-CB 4.04Å; W63-L93 HydrophobicContact CZ2-CD1 4.38Å; W63-L93 HydrophobicContact CZ3-CD1 3.65Å; W63-L96 HydrophobicContact CD2-CD2 3.95Å; W63-L96 HydrophobicContact CE3-CD2 3.35Å; W63-L96 HydrophobicContact CH2-CD2 4.49Å; W63-L96 HydrophobicContact CZ3-CD2 3.69Å
64F88.1Confident84.3Confident83 Ų8369.8 Ų69.836%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-140.7151.2-177.9-56.2-84.3000110.1I48 H49 N51 I62I48-F64 CarbonylContact C-O 3.56Å; I48-F64 VanDerWaalsContact CA-O 3.28Å; I48-F64 WeakPolarHBondContact CA-O 3.4Å; I48-F64 WeakPolarHBondContact CG2-O 3.42Å; H49-F64 HydrophobicContact CB-CB 4.49Å; H49-F64 PolarHBondContact N-O 3.47Å; H49-F64 PolarHBondContact O-N 2.88Å; N51-F64 HydrophobicContact CB-CE2 4.4Å; I62-F64 HydrophobicContact CB-CE2 3.91Å; I62-F64 HydrophobicContact CB-CZ 4.11Å; I62-F64 HydrophobicContact CG2-CD2 4.44Å; I62-F64 HydrophobicContact CG2-CE1 4.05Å; I62-F64 HydrophobicContact CG2-CE2 3.51Å; I62-F64 HydrophobicContact CG2-CZ 3.28Å; I62-F64 WeakPolarHBondContact O-CE2 3.46Å
65V91Very high84.7Confident26 Ų2660 Ų6016%0.15834%0.342CS..EExtended strand (participates in β ladder)trans-128.5133.8173.8178.60000109.7L46 I47 I48 S67 L72 L76L46-V65 HydrophobicContact CB-CG1 4.43Å; L46-V65 HydrophobicContact CD2-CG1 4.28Å; I47-V65 WeakPolarHBondContact O-CA 3.41Å; I48-V65 HydrophobicContact CD1-CG2 4.45Å; I48-V65 HydrophobicContact CG1-CG2 4.06Å; I48-V65 HydrophobicContact CG2-CG2 4.27Å; V65-S67 PolarHBondContact O-N 3.49Å; V65-L72 HydrophobicContact CG1-CD1 3.84Å; V65-L76 HydrophobicContact CG2-CD1 4.18Å; V65-L76 HydrophobicContact CG2-CD2 4.27Å
66D83.8Confident85.1Confident96 Ų9659.2 Ų59.251%0.51333%0.333SS..SBendtrans-79.670.1173.3-162.411.6000109.7I47 K370I47-D66 HydrophobicContact CB-CB 4.36Å; I47-D66 PolarHBondContact O-N 3.31Å; D66-K370 VanDerWaalsContact CG-NZ 3.26Å; D66-K370 IonicContact OD1-NZ 3.09Å; D66-K370 PolarHBondContact OD1-NZ 3.41Å; D66-K370 IonicContact OD2-NZ 2.82Å; D66-K370 PolarHBondContact OD2-NZ 3.5Å
67S84.4Confident85.3Confident48 Ų4864.6 Ų64.634%0.33636%0.359SS..  trans-155.7145178.5-171.10000111.9V65 D69V65-S67 PolarHBondContact O-N 3.49Å; S67-D69 VanDerWaalsContact C-N 3.3Å; S67-D69 PolarHBondContact O-N 2.65Å
68D77.3Confident85.6Confident169 Ų16966.8 Ų66.890%0.90436%0.364SS*.  trans-86.88.4177.2-60.6-48000113.6P70D68-P70 WeakPolarHBondContact O-CD 3.39Å
69D81.7Confident85.9Confident40 Ų4059.3 Ų59.321%0.21433%0.325CS..  trans-75113.9-178.9-176.5-10.4000110.9S67 S71 L72 Y104S67-D69 VanDerWaalsContact C-N 3.3Å; S67-D69 PolarHBondContact O-N 2.65Å; D69-S71 PolarHBondContact O-N 3.07Å; D69-S71 VanDerWaalsContact O-N 3.16Å; D69-S71 VanDerWaalsContact OD1-CB 3.24Å; D69-S71 WeakPolarHBondContact OD1-CB 3.49Å; D69-S71 PolarHBondContact OD1-N 2.81Å; D69-S71 PolarHBondContact OD1-OG 3.24Å; D69-L72 HydrophobicContact CB-CD1 3.78Å; D69-L72 HydrophobicContact CB-CG 4.04Å; D69-L72 WeakPolarHBondContact O-CB 3.26Å; D69-L72 PolarHBondContact O-N 3.26Å; D69-L72 VanDerWaalsContact O-N 3.09Å; D69-Y104 PolarHBondContact OD2-OH 3.44Å
70P82.1Confident85.5Confident106 Ų10662.9 Ų62.969%0.68834%0.338SS*.Hα-helixtrans-64.4-22.9-17727.3-35.4000112.9D68 L72 A73D68-P70 WeakPolarHBondContact O-CD 3.39Å; P70-L72 PolarHBondContact O-N 3.37Å; P70-A73 WeakPolarHBondContact O-CB 3.3Å; P70-A73 PolarHBondContact O-N 3.13Å
71S86.8Confident85.3Confident49 Ų4966 Ų6634%0.34335%0.352SS..Hα-helixtrans-66.7-25.8178.1-330000111.9D69 V75D69-S71 PolarHBondContact O-N 3.07Å; D69-S71 VanDerWaalsContact O-N 3.16Å; D69-S71 VanDerWaalsContact OD1-CB 3.24Å; D69-S71 WeakPolarHBondContact OD1-CB 3.49Å; D69-S71 PolarHBondContact OD1-N 2.81Å; D69-S71 PolarHBondContact OD1-OG 3.24Å; S71-V75 WeakPolarHBondContact O-CG2 3.28Å; S71-V75 PolarHBondContact O-N 3.2Å
72L88Confident84.9Confident5 Ų567 Ų673%0.02636%0.358CS..Hα-helixtrans-74.8-30.5176.6-64.5171.5000111.9L46 V65 D69 P70 E74 V75 L76 L100 L103 Y104L46-L72 HydrophobicContact CD1-CD1 4.25Å; L46-L72 HydrophobicContact CD1-CD2 4.1Å; L46-L72 HydrophobicContact CD2-CD1 4.05Å; V65-L72 HydrophobicContact CG1-CD1 3.84Å; D69-L72 HydrophobicContact CB-CD1 3.78Å; D69-L72 HydrophobicContact CB-CG 4.04Å; D69-L72 WeakPolarHBondContact O-CB 3.26Å; D69-L72 PolarHBondContact O-N 3.26Å; D69-L72 VanDerWaalsContact O-N 3.09Å; P70-L72 PolarHBondContact O-N 3.37Å; L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 3.03Å; L72-V75 WeakPolarHBondContact O-CB 3.47Å; L72-V75 PolarHBondContact O-N 2.91Å; L72-L76 WeakPolarHBondContact O-CG 3.34Å; L72-L76 PolarHBondContact O-N 2.78Å; L72-L100 HydrophobicContact CD2-CD2 3.45Å; L72-L100 VanDerWaalsContact CD2-CD2 3.45Å; L72-L103 HydrophobicContact CD2-CD2 3.71Å; L72-L103 HydrophobicContact CG-CD2 4.37Å; L72-Y104 HydrophobicContact CD2-CE2 4.12Å
73A84.6Confident83.8Confident59 Ų5971 Ų7149%0.48837%0.368SS..Hα-helixtrans-61.5-41.5175.200000111.2P70 V75 L76 E77P70-A73 WeakPolarHBondContact O-CB 3.3Å; P70-A73 PolarHBondContact O-N 3.13Å; A73-V75 VanDerWaalsContact C-N 3.32Å; A73-V75 PolarHBondContact O-N 3.43Å; A73-L76 PolarHBondContact O-N 3.45Å; A73-E77 PolarHBondContact O-N 3.02Å
74E85.6Confident82.5Confident114 Ų11479.1 Ų79.153%0.53340%0.404SS..Hα-helixtrans-64.7-36.5175.9-160.5-162.8139.300112L72 R78L72-E74 VanDerWaalsContact C-N 3.3Å; L72-E74 PolarHBondContact O-N 3.03Å; E74-R78 WeakPolarHBondContact O-CG 3.4Å; E74-R78 PolarHBondContact O-N 3.21Å; E74-R78 IonicContact OE1-NH1 3.52Å; E74-R78 PolarHBondContact OE1-NH1 3.2Å
75V90.1Very high81.6Confident2 Ų276.8 Ų76.81%0.01240%0.403CS..Hα-helixtrans-62.2-44.6174.6173.40000111.1S71 L72 A73 R78 L96 D99 L100 L103S71-V75 WeakPolarHBondContact O-CG2 3.28Å; S71-V75 PolarHBondContact O-N 3.2Å; L72-V75 WeakPolarHBondContact O-CB 3.47Å; L72-V75 PolarHBondContact O-N 2.91Å; A73-V75 VanDerWaalsContact C-N 3.32Å; A73-V75 PolarHBondContact O-N 3.43Å; V75-R78 PolarHBondContact O-N 2.97Å; V75-L96 HydrophobicContact CG1-CD1 3.74Å; V75-D99 HydrophobicContact CG1-CB 3.76Å; V75-D99 HydrophobicContact CG2-CB 4.47Å; V75-L100 HydrophobicContact CG1-CD2 4.38Å; V75-L100 HydrophobicContact CG1-CG 4.49Å; V75-L103 HydrophobicContact CG2-CD2 4.03Å
76L88.8Confident80.5Confident35 Ų3579 Ų7918%0.18342%0.42CS..Hα-helixtrans-69.4-39.3-179.3-64.2176.7000112.2W63 V65 L72 A73 R78 L79 L96W63-L76 HydrophobicContact CB-CD2 3.65Å; V65-L76 HydrophobicContact CG2-CD1 4.18Å; V65-L76 HydrophobicContact CG2-CD2 4.27Å; L72-L76 WeakPolarHBondContact O-CG 3.34Å; L72-L76 PolarHBondContact O-N 2.78Å; A73-L76 PolarHBondContact O-N 3.45Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 3.19Å; L76-L79 HydrophobicContact CD2-CD1 4.04Å; L76-L79 VanDerWaalsContact O-CB 3.29Å; L76-L79 WeakPolarHBondContact O-CB 3.36Å; L76-L79 PolarHBondContact O-N 3.43Å; L76-L96 HydrophobicContact CD2-CD1 4.14Å
77E85.8Confident80.3Confident132 Ų13275.9 Ų75.962%0.61740%0.404SS*.Hα-helixtrans-60.3-37.9177.4-169.6175.5-176.300111.6A73 L79 E80A73-E77 PolarHBondContact O-N 3.02Å; E77-L79 PolarHBondContact O-N 3.45Å; E77-E80 WeakPolarHBondContact O-CB 3.47Å; E77-E80 PolarHBondContact O-N 3.29Å; E77-E80 VanDerWaalsContact O-N 3.13Å
78R85.6Confident80.4Confident71 Ų7173.7 Ų73.727%0.26839%0.389SS..G310 helixtrans-67.4-15.2175.8-67.7-172.6-49.1-105.3-2114.3E74 V75 L76 E80 D99E74-R78 WeakPolarHBondContact O-CG 3.4Å; E74-R78 PolarHBondContact O-N 3.21Å; E74-R78 IonicContact OE1-NH1 3.52Å; E74-R78 PolarHBondContact OE1-NH1 3.2Å; V75-R78 PolarHBondContact O-N 2.97Å; L76-R78 VanDerWaalsContact C-N 3.28Å; L76-R78 PolarHBondContact O-N 3.19Å; R78-E80 VanDerWaalsContact C-N 3.26Å; R78-D99 IonicContact CZ-OD2 3.21Å; R78-D99 IonicContact NE-OD2 3.18Å; R78-D99 PolarHBondContact NE-OD2 2.75Å; R78-D99 VanDerWaalsContact NE-OD2 3.1Å; R78-D99 IonicContact NH2-OD2 3.35Å; R78-D99 PolarHBondContact NH2-OD2 2.69Å
79L85.1Confident80.9Confident4 Ų465.7 Ų65.72%0.02135%0.346CS..G310 helixtrans-73.1-21.2174.1-59.7179.7000112.3W63 L76 E77 D81 V82 Q92 R95 L96W63-L79 HydrophobicContact CB-CD1 3.84Å; W63-L79 HydrophobicContact CD2-CD1 4.23Å; W63-L79 HydrophobicContact CG-CD1 3.61Å; L76-L79 HydrophobicContact CD2-CD1 4.04Å; L76-L79 VanDerWaalsContact O-CB 3.29Å; L76-L79 WeakPolarHBondContact O-CB 3.36Å; L76-L79 PolarHBondContact O-N 3.43Å; E77-L79 PolarHBondContact O-N 3.45Å; L79-D81 PolarHBondContact O-N 3.5Å; L79-V82 PolarHBondContact O-N 3.26Å; L79-Q92 WeakPolarHBondContact CD2-O 3.37Å; L79-Q92 PolarHBondContact O-NE2 2.98Å; L79-R95 HydrophobicContact CD2-CB 3.91Å; L79-R95 HydrophobicContact CD2-CG 3.85Å; L79-L96 HydrophobicContact CD1-CB 4.11Å; L79-L96 HydrophobicContact CD1-CD1 4.17Å; L79-L96 HydrophobicContact CD1-CD2 4.41Å; L79-L96 HydrophobicContact CD1-CG 4.46Å; L79-L96 HydrophobicContact CD2-CB 4.06Å
80E75.6Confident81.3Confident130 Ų13063.9 Ų63.961%0.60734%0.336SS*.G310 helixtrans-66.6-15.5176.5-62.6-168.9175.300112.9E77 R78 V82 R83E77-E80 WeakPolarHBondContact O-CB 3.47Å; E77-E80 PolarHBondContact O-N 3.29Å; E77-E80 VanDerWaalsContact O-N 3.13Å; R78-E80 VanDerWaalsContact C-N 3.26Å; E80-V82 VanDerWaalsContact C-N 3.28Å; E80-V82 PolarHBondContact O-N 3.35Å; E80-R83 VanDerWaalsContact O-CD 3.27Å; E80-R83 WeakPolarHBondContact O-CD 3.3Å; E80-R83 WeakPolarHBondContact O-CG 3.48Å; E80-R83 PolarHBondContact O-NE 3.05Å; E80-R83 VanDerWaalsContact O-NE 3.08Å
81D78.8Confident81.6Confident111 Ų11162.4 Ų62.459%0.59432%0.32SS*.G310 helixtrans-74.9-18.9176-74.9-32.3000113.2L79 R83L79-D81 PolarHBondContact O-N 3.5Å; D81-R83 PolarHBondContact O-N 2.96Å; D81-R83 VanDerWaalsContact O-N 3.14Å; D81-R83 IonicContact OD1-NH2 3.16Å; D81-R83 PolarHBondContact OD1-NH2 2.96Å; D81-R83 VanDerWaalsContact OD1-NH2 3.16Å
82V78.5Confident81.8Confident27 Ų2760.2 Ų60.216%0.16430%0.304CS..  trans-8586.9176.6-173.60000109.3L79 E80 L88 Q91 Q92L79-V82 PolarHBondContact O-N 3.26Å; E80-V82 VanDerWaalsContact C-N 3.28Å; E80-V82 PolarHBondContact O-N 3.35Å; V82-L88 HydrophobicContact CG1-CD2 4.16Å; V82-Q91 HydrophobicContact CG1-CB 3.77Å; V82-Q92 HydrophobicContact CB-CG 3.85Å; V82-Q92 HydrophobicContact CG1-CG 4Å; V82-Q92 HydrophobicContact CG2-CG 4.45Å
83R66.8Low81.9Confident166 Ų16660 Ų6063%0.62630%0.303SS*.  trans-112.6-4.1-170.6-63.4-175.9-110-153.6-10.5115.8E80 D81E80-R83 VanDerWaalsContact O-CD 3.27Å; E80-R83 WeakPolarHBondContact O-CD 3.3Å; E80-R83 WeakPolarHBondContact O-CG 3.48Å; E80-R83 PolarHBondContact O-NE 3.05Å; E80-R83 VanDerWaalsContact O-NE 3.08Å; D81-R83 PolarHBondContact O-N 2.96Å; D81-R83 VanDerWaalsContact O-N 3.14Å; D81-R83 IonicContact OD1-NH2 3.16Å; D81-R83 PolarHBondContact OD1-NH2 2.96Å; D81-R83 VanDerWaalsContact OD1-NH2 3.16Å
84K65.2Low82.2Confident189 Ų18959.7 Ų59.782%0.82229%0.291SS*.  trans-140.7120.5-173.1-63-176.7-177.7177.80111.8
85G67.9Low82.4Confident34 Ų3459.5 Ų59.535%0.35129%0.285SS..  trans168.1161.9175.600000111.6T87G85-T87 VanDerWaalsContact C-N 3.34Å
86S68.3Low82.5Confident72 Ų7259.4 Ų59.450%0.50329%0.285SS..SBendtrans-79.6-21.5167.3470000112.3M1M1-S86 WeakPolarHBondContact CE-O 3.49Å
87T80.1Confident82.6Confident30 Ų3057.8 Ų57.818%0.18428%0.276CS..  trans-12253.9-176.650.10000111.5E9 G85 L89 L90 Q91 L119E9-T87 HydrophobicContact CG-CG2 4.2Å; E9-T87 VanDerWaalsContact OE2-C 3.31Å; E9-T87 WeakPolarHBondContact OE2-CA 3.23Å; G85-T87 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.16Å; T87-L90 HydrophobicContact CG2-CD1 4.06Å; T87-L90 PolarHBondContact O-N 3.44Å; T87-Q91 WeakPolarHBondContact O-CG 3.39Å; T87-Q91 PolarHBondContact O-N 3.46Å; T87-Q91 VanDerWaalsContact O-N 3.12Å; T87-L119 HydrophobicContact CG2-CD1 3.94Å; T87-L119 HydrophobicContact CG2-CG 4.24Å
88L85.9Confident82.8Confident3 Ų352.1 Ų52.12%0.01625%0.251CS..Hα-helixtrans-60.7-36-175.7-75.7174.7000112.1Y56 P57 V82 Q91 Q92Y56-L88 HydrophobicContact CE2-CB 3.85Å; Y56-L88 PolarHBondContact OH-N 3.2Å; P57-L88 HydrophobicContact CB-CD1 4.02Å; P57-L88 WeakPolarHBondContact O-CD1 3.07Å; V82-L88 HydrophobicContact CG1-CD2 4.16Å; L88-Q91 PolarHBondContact O-N 3.21Å; L88-Q92 WeakPolarHBondContact O-CB 3.43Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 3.32Å
89L88.6Confident83Confident0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-63.2-48.7178.5-176.469.1000111.2L6 E9 L10 L13 L34 I52 Y56 P61 W63 T87 Q91 Q92 L93L6-L89 HydrophobicContact CD1-CD2 4.06Å; E9-L89 HydrophobicContact CB-CD2 4.43Å; E9-L89 WeakPolarHBondContact OE2-CB 3.34Å; L10-L89 HydrophobicContact CD2-CD2 3.57Å; L10-L89 HydrophobicContact CG-CD2 4.04Å; L13-L89 HydrophobicContact CD1-CD2 3.81Å; L13-L89 HydrophobicContact CD1-CG 4.08Å; L34-L89 HydrophobicContact CD2-CD1 4.14Å; L34-L89 HydrophobicContact CD2-CD2 4.43Å; I52-L89 HydrophobicContact CD1-CD1 4.27Å; I52-L89 HydrophobicContact CD1-CD2 4.24Å; I52-L89 HydrophobicContact CG1-CD1 4.46Å; Y56-L89 HydrophobicContact CE2-CB 4.39Å; Y56-L89 PolarHBondContact OH-N 3.01Å; P61-L89 HydrophobicContact CB-CD1 4.28Å; P61-L89 HydrophobicContact CG-CB 4.45Å; P61-L89 HydrophobicContact CG-CD1 4.03Å; W63-L89 HydrophobicContact CH2-CD1 4.26Å; W63-L89 HydrophobicContact CZ2-CD1 3.84Å; T87-L89 PolarHBondContact O-N 3.16Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.04Å; L89-Q92 PolarHBondContact O-N 3.16Å; L89-L93 VanDerWaalsContact O-CB 3.29Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 PolarHBondContact O-N 3.5Å
90L89.6Confident83.2Confident2 Ų248.9 Ų48.91%0.0124%0.239CC..Hα-helixtrans-60.9-43.2177.8-57.2-174.8000111.8E9 F12 L13 T87 L93 K94 L115 L119E9-L90 HydrophobicContact CB-CD2 4.26Å; E9-L90 HydrophobicContact CB-CG 4.37Å; E9-L90 HydrophobicContact CG-CD1 4.43Å; E9-L90 HydrophobicContact CG-CG 4.23Å; F12-L90 HydrophobicContact CD1-CD1 3.83Å; F12-L90 HydrophobicContact CD1-CD2 4.11Å; F12-L90 HydrophobicContact CE1-CD1 4.17Å; L13-L90 HydrophobicContact CD1-CD2 4.05Å; L13-L90 HydrophobicContact CD2-CD2 3.34Å; L13-L90 HydrophobicContact CG-CD2 3.46Å; L13-L90 VanDerWaalsContact CG-CD2 3.46Å; T87-L90 HydrophobicContact CG2-CD1 4.06Å; T87-L90 PolarHBondContact O-N 3.44Å; L90-L93 PolarHBondContact O-N 3.39Å; L90-K94 WeakPolarHBondContact O-CB 3.47Å; L90-K94 PolarHBondContact O-N 2.89Å; L90-L115 HydrophobicContact CD2-CD2 4.3Å; L90-L119 HydrophobicContact CD1-CD2 3.98Å
91Q88.3Confident83.9Confident76 Ų7642.8 Ų42.836%0.35521%0.211SC..Hα-helixtrans-66.7-44.9-178.8-69.5176.40.500112.4V82 T87 L88 L89 R95V82-Q91 HydrophobicContact CG1-CB 3.77Å; T87-Q91 WeakPolarHBondContact O-CG 3.39Å; T87-Q91 PolarHBondContact O-N 3.46Å; T87-Q91 VanDerWaalsContact O-N 3.12Å; L88-Q91 PolarHBondContact O-N 3.21Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.04Å; Q91-R95 WeakPolarHBondContact O-CB 3.33Å; Q91-R95 PolarHBondContact O-N 3.46Å
92Q90.3Very high84.4Confident3 Ų344.7 Ų44.71%0.01421%0.21CC..Hα-helixtrans-65.5-42176-77.1-173.6-27.500111.2P61 W63 L79 V82 L88 L89 R95 L96P61-Q92 VanDerWaalsContact CD-OE1 3.27Å; P61-Q92 PolarHBondContact O-OE1 3.46Å; W63-Q92 HydrophobicContact CZ2-CB 4.14Å; L79-Q92 WeakPolarHBondContact CD2-O 3.37Å; L79-Q92 PolarHBondContact O-NE2 2.98Å; V82-Q92 HydrophobicContact CB-CG 3.85Å; V82-Q92 HydrophobicContact CG1-CG 4Å; V82-Q92 HydrophobicContact CG2-CG 4.45Å; L88-Q92 WeakPolarHBondContact O-CB 3.43Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 3.32Å; L89-Q92 PolarHBondContact O-N 3.16Å; Q92-R95 PolarHBondContact O-N 3.24Å; Q92-L96 WeakPolarHBondContact O-CB 3.14Å; Q92-L96 PolarHBondContact O-N 2.87Å
93L91.2Very high84.9Confident0 Ų046.6 Ų46.60%022%0.219CC..Hα-helixtrans-64.3-44.8178.6-176.467000111.8L13 F17 F24 W63 L89 L90 R95 L96 I97L13-L93 HydrophobicContact CD1-CD2 3.96Å; L13-L93 HydrophobicContact CD2-CD2 3.37Å; L13-L93 HydrophobicContact CG-CD2 4.26Å; F17-L93 HydrophobicContact CD2-CD2 4.31Å; F17-L93 HydrophobicContact CE2-CD2 3.92Å; F24-L93 HydrophobicContact CE1-CD1 3.77Å; F24-L93 HydrophobicContact CE1-CD2 3.92Å; F24-L93 HydrophobicContact CE1-CG 4.34Å; F24-L93 HydrophobicContact CE2-CD1 3.87Å; F24-L93 HydrophobicContact CZ-CD1 3.22Å; F24-L93 HydrophobicContact CZ-CD2 4.24Å; F24-L93 HydrophobicContact CZ-CG 4.24Å; W63-L93 HydrophobicContact CH2-CB 3.78Å; W63-L93 HydrophobicContact CH2-CD1 3.38Å; W63-L93 HydrophobicContact CH2-CG 4.12Å; W63-L93 HydrophobicContact CZ2-CB 4.04Å; W63-L93 HydrophobicContact CZ2-CD1 4.38Å; W63-L93 HydrophobicContact CZ3-CD1 3.65Å; L89-L93 VanDerWaalsContact O-CB 3.29Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 PolarHBondContact O-N 3.5Å; L90-L93 PolarHBondContact O-N 3.39Å; L93-R95 VanDerWaalsContact C-N 3.28Å; L93-R95 PolarHBondContact O-N 3.48Å; L93-L96 HydrophobicContact CD1-CD2 4.5Å; L93-L96 WeakPolarHBondContact O-CB 3.35Å; L93-L96 PolarHBondContact O-N 2.66Å; L93-I97 HydrophobicContact CD1-CD1 4.22Å; L93-I97 HydrophobicContact CD1-CG1 4.34Å; L93-I97 HydrophobicContact CD2-CD1 4.39Å; L93-I97 HydrophobicContact CG-CD1 3.93Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.32Å
94K90.4Very high85.9Confident53 Ų5340.8 Ų40.823%0.2320%0.197CC..Hα-helixtrans-54.9-48.5174.1-173.3-171.2-176.7-168.10110.8L90 L96 I97 C98 V112 L115 D116L90-K94 WeakPolarHBondContact O-CB 3.47Å; L90-K94 PolarHBondContact O-N 2.89Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-L96 PolarHBondContact O-N 3.36Å; K94-I97 PolarHBondContact O-N 2.79Å; K94-C98 WeakPolarHBondContact O-CB 3.37Å; K94-C98 PolarHBondContact O-N 3.39Å; K94-C98 PolarHBondContact O-SG 2.98Å; K94-V112 HydrophobicContact CG-CG1 3.85Å; K94-L115 HydrophobicContact CB-CB 4.19Å; K94-L115 HydrophobicContact CB-CD1 3.7Å; K94-L115 HydrophobicContact CD-CB 4.5Å; K94-L115 HydrophobicContact CG-CB 4.42Å; K94-L115 HydrophobicContact CG-CD1 4.23Å; K94-D116 WeakPolarHBondContact CD-OD1 3.45Å; K94-D116 IonicContact NZ-OD1 2.75Å; K94-D116 PolarHBondContact NZ-OD1 3.21Å; K94-D116 IonicContact NZ-OD2 2.78Å; K94-D116 PolarHBondContact NZ-OD2 3.25Å
95R90Very high86.9Confident109 Ų10939 Ų3941%0.41120%0.196SC..Hα-helixtrans-62.6-42.7179.8-176.654.1175.5-108.8-2.9111.6L79 Q91 Q92 L93 C98 D99L79-R95 HydrophobicContact CD2-CB 3.91Å; L79-R95 HydrophobicContact CD2-CG 3.85Å; Q91-R95 WeakPolarHBondContact O-CB 3.33Å; Q91-R95 PolarHBondContact O-N 3.46Å; Q92-R95 PolarHBondContact O-N 3.24Å; L93-R95 VanDerWaalsContact C-N 3.28Å; L93-R95 PolarHBondContact O-N 3.48Å; R95-C98 PolarHBondContact O-N 2.81Å; R95-D99 IonicContact NE-OD1 3.81Å; R95-D99 PolarHBondContact NE-OD1 2.76Å; R95-D99 IonicContact NE-OD2 2.78Å; R95-D99 PolarHBondContact NE-OD2 3.39Å; R95-D99 WeakPolarHBondContact O-CB 3.49Å; R95-D99 PolarHBondContact O-N 3.35Å
96L91.8Very high87.8Confident0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-59.1-50.8177.1177.657.6000111I48 W63 V75 L76 L79 Q92 L93 K94 C98 D99 L100I48-L96 HydrophobicContact CD1-CD2 4.2Å; I48-L96 HydrophobicContact CG2-CD2 3.84Å; W63-L96 HydrophobicContact CD2-CD2 3.95Å; W63-L96 HydrophobicContact CE3-CD2 3.35Å; W63-L96 HydrophobicContact CH2-CD2 4.49Å; W63-L96 HydrophobicContact CZ3-CD2 3.69Å; V75-L96 HydrophobicContact CG1-CD1 3.74Å; L76-L96 HydrophobicContact CD2-CD1 4.14Å; L79-L96 HydrophobicContact CD1-CB 4.11Å; L79-L96 HydrophobicContact CD1-CD1 4.17Å; L79-L96 HydrophobicContact CD1-CD2 4.41Å; L79-L96 HydrophobicContact CD1-CG 4.46Å; L79-L96 HydrophobicContact CD2-CB 4.06Å; Q92-L96 WeakPolarHBondContact O-CB 3.14Å; Q92-L96 PolarHBondContact O-N 2.87Å; L93-L96 HydrophobicContact CD1-CD2 4.5Å; L93-L96 WeakPolarHBondContact O-CB 3.35Å; L93-L96 PolarHBondContact O-N 2.66Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-L96 PolarHBondContact O-N 3.36Å; L96-C98 PolarHBondContact O-N 2.87Å; L96-D99 PolarHBondContact O-N 2.91Å; L96-L100 HydrophobicContact CD1-CD1 3.77Å; L96-L100 HydrophobicContact CD1-CD2 4.48Å; L96-L100 HydrophobicContact CD1-CG 3.92Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 WeakPolarHBondContact O-CB 3.35Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.21Å; L96-L100 PolarHBondContact O-N 3.48Å
97I90Very high88.5Confident2 Ų240 Ų401%0.0119%0.193CC..Hα-helixtrans-60.9-45.7179.1-63.8168.1000110.6F17 F24 F38 L93 K94 D99 L100 C101 V112F17-I97 HydrophobicContact CE1-CD1 4.17Å; F17-I97 HydrophobicContact CE2-CD1 4.01Å; F17-I97 HydrophobicContact CZ-CD1 3.57Å; F24-I97 HydrophobicContact CB-CD1 4.14Å; F24-I97 HydrophobicContact CB-CG1 4.48Å; F24-I97 HydrophobicContact CD1-CD1 3.92Å; F24-I97 HydrophobicContact CD2-CD1 4.04Å; F24-I97 HydrophobicContact CD2-CG1 3.85Å; F24-I97 HydrophobicContact CE1-CD1 4.31Å; F24-I97 HydrophobicContact CE2-CD1 4.4Å; F24-I97 HydrophobicContact CE2-CG1 4.16Å; F24-I97 HydrophobicContact CG-CD1 3.75Å; F24-I97 HydrophobicContact CG-CG1 4.06Å; F38-I97 HydrophobicContact CE2-CG2 4.28Å; L93-I97 HydrophobicContact CD1-CD1 4.22Å; L93-I97 HydrophobicContact CD1-CG1 4.34Å; L93-I97 HydrophobicContact CD2-CD1 4.39Å; L93-I97 HydrophobicContact CG-CD1 3.93Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.32Å; K94-I97 PolarHBondContact O-N 2.79Å; I97-D99 PolarHBondContact O-N 3.03Å; I97-L100 PolarHBondContact O-N 2.76Å; I97-C101 WeakPolarHBondContact O-CB 3.24Å; I97-C101 PolarHBondContact O-N 2.81Å; I97-C101 PolarHBondContact O-SG 2.96Å; I97-C101 VanDerWaalsContact O-SG 3.33Å; I97-V112 HydrophobicContact CB-CG1 4.45Å; I97-V112 HydrophobicContact CB-CG2 4.46Å; I97-V112 HydrophobicContact CG2-CG1 4.28Å; I97-V112 HydrophobicContact CG2-CG2 3.58Å
98C90Very high88.5Confident13 Ų1342.9 Ų42.99%0.08820%0.204CC..Hα-helixtrans-60.1-43.2177.5-71.90000112.5K94 R95 L96 C101 R102 Q108K94-C98 WeakPolarHBondContact O-CB 3.37Å; K94-C98 PolarHBondContact O-N 3.39Å; K94-C98 PolarHBondContact O-SG 2.98Å; R95-C98 PolarHBondContact O-N 2.81Å; L96-C98 PolarHBondContact O-N 2.87Å; C98-C101 PolarHBondContact O-N 2.84Å; C98-R102 WeakPolarHBondContact O-CG 3.34Å; C98-R102 PolarHBondContact O-N 3.47Å; C98-Q108 PolarHBondContact SG-OE1 3.33Å
99D90.4Very high88.3Confident5 Ų545.1 Ų45.13%0.02721%0.214CC..Hα-helixtrans-73-35.6-178.3-80.54.1000111.9V75 R78 R95 L96 I97 R102 L103V75-D99 HydrophobicContact CG1-CB 3.76Å; V75-D99 HydrophobicContact CG2-CB 4.47Å; R78-D99 IonicContact CZ-OD2 3.21Å; R78-D99 IonicContact NE-OD2 3.18Å; R78-D99 PolarHBondContact NE-OD2 2.75Å; R78-D99 VanDerWaalsContact NE-OD2 3.1Å; R78-D99 IonicContact NH2-OD2 3.35Å; R78-D99 PolarHBondContact NH2-OD2 2.69Å; R95-D99 IonicContact NE-OD1 3.81Å; R95-D99 PolarHBondContact NE-OD1 2.76Å; R95-D99 IonicContact NE-OD2 2.78Å; R95-D99 PolarHBondContact NE-OD2 3.39Å; R95-D99 WeakPolarHBondContact O-CB 3.49Å; R95-D99 PolarHBondContact O-N 3.35Å; L96-D99 PolarHBondContact O-N 2.91Å; I97-D99 PolarHBondContact O-N 3.03Å; D99-R102 PolarHBondContact O-N 3.12Å; D99-R102 IonicContact OD1-CZ 3.24Å; D99-R102 IonicContact OD1-NH1 3.26Å; D99-R102 PolarHBondContact OD1-NH1 3.38Å; D99-L103 WeakPolarHBondContact O-CB 3.49Å; D99-L103 PolarHBondContact O-N 3.47Å
100L90.2Very high87.8Confident1 Ų149.2 Ų49.21%0.00524%0.241CC..Hα-helixtrans-65.4-42.6171.3-69.8173000111.7F38 L46 I48 L72 V75 L96 I97 R102 L103 Y104F38-L100 HydrophobicContact CB-CD1 4.17Å; F38-L100 HydrophobicContact CD1-CB 4.26Å; F38-L100 HydrophobicContact CD1-CD1 4.22Å; F38-L100 HydrophobicContact CD2-CB 4.28Å; F38-L100 HydrophobicContact CD2-CD1 3.94Å; F38-L100 HydrophobicContact CE1-CB 3.88Å; F38-L100 HydrophobicContact CE2-CB 3.9Å; F38-L100 HydrophobicContact CE2-CD1 4.39Å; F38-L100 HydrophobicContact CG-CB 4.45Å; F38-L100 HydrophobicContact CG-CD1 3.84Å; F38-L100 HydrophobicContact CZ-CB 3.69Å; L46-L100 HydrophobicContact CD1-CD2 4.35Å; I48-L100 HydrophobicContact CD1-CD1 3.53Å; L72-L100 HydrophobicContact CD2-CD2 3.45Å; L72-L100 VanDerWaalsContact CD2-CD2 3.45Å; V75-L100 HydrophobicContact CG1-CD2 4.38Å; V75-L100 HydrophobicContact CG1-CG 4.49Å; L96-L100 HydrophobicContact CD1-CD1 3.77Å; L96-L100 HydrophobicContact CD1-CD2 4.48Å; L96-L100 HydrophobicContact CD1-CG 3.92Å; L96-L100 HydrophobicContact CG-CD1 3.89Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 WeakPolarHBondContact O-CB 3.35Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.21Å; L96-L100 PolarHBondContact O-N 3.48Å; I97-L100 PolarHBondContact O-N 2.76Å; L100-R102 VanDerWaalsContact C-N 3.32Å; L100-R102 PolarHBondContact O-N 2.86Å; L100-L103 PolarHBondContact O-N 2.96Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 WeakPolarHBondContact O-CD2 3.29Å; L100-Y104 PolarHBondContact O-N 2.66Å
101C89.5Confident87.5Confident2 Ų251.1 Ų51.11%0.01425%0.251CS..Hα-helixtrans-59.6-42.1173.1-76.30000111.5I97 C98 N105 L106 Q108I97-C101 WeakPolarHBondContact O-CB 3.24Å; I97-C101 PolarHBondContact O-N 2.81Å; I97-C101 PolarHBondContact O-SG 2.96Å; I97-C101 VanDerWaalsContact O-SG 3.33Å; C98-C101 PolarHBondContact O-N 2.84Å; C101-N105 CarbonylContact O-C 3.53Å; C101-N105 WeakPolarHBondContact O-CA 3.45Å; C101-N105 PolarHBondContact O-N 3.12Å; C101-L106 PolarHBondContact O-N 2.94Å; C101-Q108 HydrophobicContact CB-CG 3.87Å
102R89.9Confident87.2Confident152 Ų15247.6 Ų47.657%0.57424%0.235SC*.Hα-helixtrans-66-44.9175.8-72.5177.5-166.8139.7-2.7112.3C98 D99 L100 Y104 N105C98-R102 WeakPolarHBondContact O-CG 3.34Å; C98-R102 PolarHBondContact O-N 3.47Å; D99-R102 PolarHBondContact O-N 3.12Å; D99-R102 IonicContact OD1-CZ 3.24Å; D99-R102 IonicContact OD1-NH1 3.26Å; D99-R102 PolarHBondContact OD1-NH1 3.38Å; L100-R102 VanDerWaalsContact C-N 3.32Å; L100-R102 PolarHBondContact O-N 2.86Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; R102-Y104 PolarHBondContact O-N 3.05Å; R102-N105 PolarHBondContact O-N 2.92Å
103L89.6Confident86.7Confident67 Ų6754 Ų5435%0.35127%0.265SS..Hα-helixtrans-60.2-42.7-178.6179.564.8000111.7L72 V75 D99 L100L72-L103 HydrophobicContact CD2-CD2 3.71Å; L72-L103 HydrophobicContact CG-CD2 4.37Å; V75-L103 HydrophobicContact CG2-CD2 4.03Å; D99-L103 WeakPolarHBondContact O-CB 3.49Å; D99-L103 PolarHBondContact O-N 3.47Å; L100-L103 PolarHBondContact O-N 2.96Å
104Y87.4Confident86.3Confident43 Ų4357.1 Ų57.117%0.16928%0.28CS..THydrogen-bonded Turntrans-94.66.9-179.7-65.4-64000114.3F38 V40 L46 D69 L72 L100 R102 L106F38-Y104 HydrophobicContact CE1-CD2 4.24Å; V40-Y104 HydrophobicContact CG1-CD1 3.52Å; V40-Y104 HydrophobicContact CG1-CD2 3.9Å; V40-Y104 HydrophobicContact CG1-CE1 4.03Å; V40-Y104 HydrophobicContact CG1-CE2 4.34Å; V40-Y104 HydrophobicContact CG1-CG 3.46Å; V40-Y104 VanDerWaalsContact CG1-CG 3.46Å; V40-Y104 HydrophobicContact CG2-CD2 3.85Å; V40-Y104 HydrophobicContact CG2-CE2 3.81Å; V40-Y104 HydrophobicContact CG2-CG 4.29Å; L46-Y104 HydrophobicContact CD1-CE2 3.54Å; D69-Y104 PolarHBondContact OD2-OH 3.44Å; L72-Y104 HydrophobicContact CD2-CE2 4.12Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 WeakPolarHBondContact O-CD2 3.29Å; L100-Y104 PolarHBondContact O-N 2.66Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; R102-Y104 PolarHBondContact O-N 3.05Å; Y104-L106 VanDerWaalsContact C-N 3.32Å; Y104-L106 PolarHBondContact O-N 3.44Å
105N86.6Confident85.8Confident152 Ų15255 Ų5581%0.81327%0.271SS*.THydrogen-bonded Turntrans52.945.1-178.8-161.134000113.6C101 R102C101-N105 CarbonylContact O-C 3.53Å; C101-N105 WeakPolarHBondContact O-CA 3.45Å; C101-N105 PolarHBondContact O-N 3.12Å; R102-N105 PolarHBondContact O-N 2.92Å
106L86.4Confident85.3Confident40 Ų4055 Ų5521%0.20928%0.279CS..PPolyproline II helixtrans-102.4146.9-179.5-61.7173.2000111.2F38 C101 Y104F38-L106 HydrophobicContact CE1-CD1 3.97Å; F38-L106 HydrophobicContact CZ-CD1 4.05Å; C101-L106 PolarHBondContact O-N 2.94Å; Y104-L106 VanDerWaalsContact C-N 3.32Å; Y104-L106 PolarHBondContact O-N 3.44Å
107P82.4Confident84.7Confident88 Ų8860 Ų6057%0.57130%0.303SS*.PPolyproline II helixtrans-65.5139.117328.3-33.8000110.4
108Q80Confident83.8Confident90 Ų9065.7 Ų65.742%0.42134%0.34SS..PPolyproline II helixtrans-74.8135.4173.3-65-17612.900109.5C98 C101C98-Q108 PolarHBondContact SG-OE1 3.33Å; C101-Q108 HydrophobicContact CB-CG 3.87Å
109H81.8Confident83.1Confident50 Ų5067.7 Ų67.723%0.23135%0.349CS..PPolyproline II helixtrans-78.5139.8176.4-160.4-96.5000109.6H21 R23 D111 V112H21-H109 AromaticContact NE2-CE1 3.87Å; H21-H109 AromaticContact NE2-CG 3.8Å; H21-H109 AromaticContact NE2-ND1 3.34Å; H21-H109 PolarHBondContact NE2-ND1 3.32Å; R23-H109 HydrophobicContact CG-CB 4.47Å; H109-D111 IonicContact CE1-OD1 2.98Å; H109-D111 IonicContact CE1-OD2 3.51Å; H109-D111 PolarHBondContact CE1-OD2 2.69Å; H109-D111 WeakPolarHBondContact ND1-CB 3.3Å; H109-D111 PolarHBondContact ND1-N 2.82Å; H109-D111 IonicContact ND1-OD1 2.71Å; H109-D111 IonicContact ND1-OD2 3.1Å; H109-D111 PolarHBondContact ND1-OD2 3.01Å; H109-D111 PolarHBondContact O-N 3Å; H109-D111 VanDerWaalsContact O-N 3.13Å; H109-V112 HydrophobicContact CB-CG2 4.42Å; H109-V112 WeakPolarHBondContact O-CB 3.36Å; H109-V112 WeakPolarHBondContact O-CG2 3.49Å; H109-V112 PolarHBondContact O-N 3.17Å
110P77.4Confident81.9Confident85 Ų8571.8 Ų71.855%0.55238%0.376SS*.G310 helixtrans-56.9-27.917922.1-34.1000113.1V112 E113P110-V112 PolarHBondContact O-N 2.85Å; P110-V112 VanDerWaalsContact O-N 3.12Å; P110-E113 WeakPolarHBondContact O-CB 3.24Å; P110-E113 PolarHBondContact O-N 2.88Å
111D83.2Confident79.8Confident42 Ų4276.4 Ų76.423%0.22541%0.414CS..G310 helixtrans-61.5-21.9177.7-61.5-4.5000113.2I16 H21 H109 E113 M114I16-D111 HydrophobicContact CG2-CB 3.84Å; H21-D111 IonicContact CD2-OD2 2.91Å; H21-D111 PolarHBondContact CD2-OD2 2.98Å; H21-D111 IonicContact NE2-OD2 3.86Å; H21-D111 PolarHBondContact NE2-OD2 3.1Å; H109-D111 IonicContact CE1-OD1 2.98Å; H109-D111 IonicContact CE1-OD2 3.51Å; H109-D111 PolarHBondContact CE1-OD2 2.69Å; H109-D111 WeakPolarHBondContact ND1-CB 3.3Å; H109-D111 PolarHBondContact ND1-N 2.82Å; H109-D111 IonicContact ND1-OD1 2.71Å; H109-D111 IonicContact ND1-OD2 3.1Å; H109-D111 PolarHBondContact ND1-OD2 3.01Å; H109-D111 PolarHBondContact O-N 3Å; H109-D111 VanDerWaalsContact O-N 3.13Å; D111-E113 PolarHBondContact O-N 2.91Å; D111-M114 HydrophobicContact CB-SD 4.48Å; D111-M114 VanDerWaalsContact O-CB 3.3Å; D111-M114 WeakPolarHBondContact O-CB 3.42Å; D111-M114 PolarHBondContact O-N 3.26Å; D111-M114 VanDerWaalsContact O-N 3.11Å
112V82.9Confident77.2Confident3 Ų382.2 Ų82.22%0.01845%0.453CS..G310 helixtrans-66.2-27.4174-177.10000111.4K94 I97 H109 P110 M114 L115K94-V112 HydrophobicContact CG-CG1 3.85Å; I97-V112 HydrophobicContact CB-CG1 4.45Å; I97-V112 HydrophobicContact CB-CG2 4.46Å; I97-V112 HydrophobicContact CG2-CG1 4.28Å; I97-V112 HydrophobicContact CG2-CG2 3.58Å; H109-V112 HydrophobicContact CB-CG2 4.42Å; H109-V112 WeakPolarHBondContact O-CB 3.36Å; H109-V112 WeakPolarHBondContact O-CG2 3.49Å; H109-V112 PolarHBondContact O-N 3.17Å; P110-V112 PolarHBondContact O-N 2.85Å; P110-V112 VanDerWaalsContact O-N 3.12Å; V112-M114 VanDerWaalsContact C-N 3.31Å; V112-L115 WeakPolarHBondContact O-CB 3.28Å; V112-L115 PolarHBondContact O-N 3.39Å
113E80.4Confident74.6Confident137 Ų13780.4 Ų80.464%0.6446%0.462SS*.G310 helixtrans-75.1-22.2175-57.3-172.8165.800112P110 D111 L115 D116P110-E113 WeakPolarHBondContact O-CB 3.24Å; P110-E113 PolarHBondContact O-N 2.88Å; D111-E113 PolarHBondContact O-N 2.91Å; E113-L115 PolarHBondContact O-N 3.42Å; E113-D116 PolarHBondContact O-N 2.83Å; E113-D116 VanDerWaalsContact O-N 3.16Å
114M81.9Confident72Confident66 Ų6684.9 Ų84.933%0.32548%0.484SS..G310 helixtrans-65-20.8175.5-60.9-176.763.600112.5F12 I16 D111 V112 D116 Q117F12-M114 WeakPolarHBondContact CZ-O 3.36Å; I16-M114 HydrophobicContact CD1-CB 3.88Å; I16-M114 HydrophobicContact CG1-CB 4.35Å; I16-M114 HydrophobicContact CG1-CE 4.42Å; D111-M114 HydrophobicContact CB-SD 4.48Å; D111-M114 VanDerWaalsContact O-CB 3.3Å; D111-M114 WeakPolarHBondContact O-CB 3.42Å; D111-M114 PolarHBondContact O-N 3.26Å; D111-M114 VanDerWaalsContact O-N 3.11Å; V112-M114 VanDerWaalsContact C-N 3.31Å; M114-D116 PolarHBondContact O-N 3.47Å; M114-Q117 WeakPolarHBondContact O-CB 3.44Å; M114-Q117 WeakPolarHBondContact O-CG 3.42Å; M114-Q117 PolarHBondContact O-N 3.37Å; M114-Q117 VanDerWaalsContact O-N 3.08Å
115L80.6Confident69.4Low9 Ų988.6 Ų88.65%0.04751%0.511CS..G310 helixtrans-67.1-14.6175.6-61.5177000114L13 I16 F17 L90 K94 V112 E113 Q117L13-L115 HydrophobicContact CD2-CD2 3.46Å; L13-L115 VanDerWaalsContact CD2-CD2 3.46Å; I16-L115 HydrophobicContact CD1-CD2 3.78Å; F17-L115 HydrophobicContact CE2-CD1 4Å; F17-L115 HydrophobicContact CE2-CD2 3.94Å; F17-L115 HydrophobicContact CE2-CG 4.29Å; F17-L115 HydrophobicContact CZ-CD1 4.01Å; F17-L115 HydrophobicContact CZ-CD2 4.48Å; F17-L115 HydrophobicContact CZ-CG 4.38Å; L90-L115 HydrophobicContact CD2-CD2 4.3Å; K94-L115 HydrophobicContact CB-CB 4.19Å; K94-L115 HydrophobicContact CB-CD1 3.7Å; K94-L115 HydrophobicContact CD-CB 4.5Å; K94-L115 HydrophobicContact CG-CB 4.42Å; K94-L115 HydrophobicContact CG-CD1 4.23Å; V112-L115 WeakPolarHBondContact O-CB 3.28Å; V112-L115 PolarHBondContact O-N 3.39Å; E113-L115 PolarHBondContact O-N 3.42Å; L115-Q117 VanDerWaalsContact C-N 3.33Å
116D79.4Confident66.7Low108 Ų10889.1 Ų89.158%0.57851%0.509SS*.G310 helixtrans-83-11.5172.9-66.7-34.3000113.2K94 E113 M114K94-D116 WeakPolarHBondContact CD-OD1 3.45Å; K94-D116 IonicContact NZ-OD1 2.75Å; K94-D116 PolarHBondContact NZ-OD1 3.21Å; K94-D116 IonicContact NZ-OD2 2.78Å; K94-D116 PolarHBondContact NZ-OD2 3.25Å; E113-D116 PolarHBondContact O-N 2.83Å; E113-D116 VanDerWaalsContact O-N 3.16Å; M114-D116 PolarHBondContact O-N 3.47Å
117Q78.1Confident64.4Low106 Ų10696.6 Ų96.650%0.49554%0.543SS..SBendtrans-73145.4-177.5-62.7-174.213.300111F12 M114 L115F12-Q117 HydrophobicContact CZ-CB 4.31Å; M114-Q117 WeakPolarHBondContact O-CB 3.44Å; M114-Q117 WeakPolarHBondContact O-CG 3.42Å; M114-Q117 PolarHBondContact O-N 3.37Å; M114-Q117 VanDerWaalsContact O-N 3.08Å; L115-Q117 VanDerWaalsContact C-N 3.33Å
118P72.1Confident61.9Low120 Ų120103 Ų10378%0.77956%0.555SS**PPolyproline II helixtrans-62.1141.4175.226.4-32.9000110
119L74.5Confident59.5Low55 Ų55107.7 Ų107.729%0.28858%0.575SS.*PPolyproline II helixtrans-52.6133.9176.2-71.1171.3000110.1A8 E9 F12 T87 L90 A121A8-L119 HydrophobicContact CB-CD1 4.34Å; E9-L119 HydrophobicContact CG-CD1 3.89Å; E9-L119 HydrophobicContact CG-CD2 4.2Å; F12-L119 HydrophobicContact CB-CD2 3.78Å; F12-L119 HydrophobicContact CD1-CD2 3.99Å; F12-L119 HydrophobicContact CG-CD2 3.99Å; T87-L119 HydrophobicContact CG2-CD1 3.94Å; T87-L119 HydrophobicContact CG2-CG 4.24Å; L90-L119 HydrophobicContact CD1-CD2 3.98Å; L119-A121 PolarHBondContact O-N 2.91Å
120P66.4Low56.9Low92 Ų92115.6 Ų115.660%0.59761%0.609SS**PPolyproline II helixtrans-60.4127.6178.921.3-29.9000110.2F12 C122F12-P120 HydrophobicContact CD2-CG 4.22Å; P120-C122 PolarHBondContact O-N 3.39Å; P120-C122 VanDerWaalsContact O-N 3.13Å
121A45.9Very low54.6Low97 Ų97117.5 Ų117.580%0.80262%0.619SS**  trans-63.511517600000109L119 P123L119-A121 PolarHBondContact O-N 2.91Å; A121-P123 WeakPolarHBondContact O-CD 3.38Å
122C34Very low52.1Low124 Ų124123.3 Ų123.384%0.83865%0.649SS**PPolyproline II helixtrans-60.3118.5-177.7-155.50000110.3P120 I124P120-C122 PolarHBondContact O-N 3.39Å; P120-C122 VanDerWaalsContact O-N 3.13Å; C122-I124 PolarHBondContact O-N 2.87Å
123P35.9Very low49.6Very low115 Ų115129.8 Ų129.875%0.74769%0.689SS**PPolyproline II helixtrans-72.4128.8166.1-10.327.3000108.8A121 T125A121-P123 WeakPolarHBondContact O-CD 3.38Å; P123-T125 PolarHBondContact O-N 3.48Å
124I35.2Very low47.1Very low161 Ų161131.7 Ų131.783%0.82670%0.698SS**SBendtrans-57119.3165.9-66.1165.6000107.7C122C122-I124 PolarHBondContact O-N 2.87Å
125T33.2Very low44.4Very low120 Ų120139.3 Ų139.374%0.73672%0.724SS**SBendtrans50.2102.9161.5-12.70000117.4P123P123-T125 PolarHBondContact O-N 3.48Å
126Q29.3Very low41.9Very low164 Ų164148.6 Ų148.677%0.76676%0.764SS**  -176.5122.2128.4-105.3168.6-4.700109.6R128Q126-R128 PolarHBondContact O-N 3.33Å; Q126-R128 VanDerWaalsContact O-N 3.12Å
127E38.1Very low39.4Very low196 Ų196149.4 Ų149.492%0.91677%0.774SS**  trans-47.7116.8160.2-68.2177.5158.400109
128R29.9Very low37.2Very low222 Ų222152.5 Ų152.584%0.83879%0.793SS**  trans-112.1107.6164.2-82.3-174.2175.4178.7-1108.4Q126Q126-R128 PolarHBondContact O-N 3.33Å; Q126-R128 VanDerWaalsContact O-N 3.12Å
129K29.3Very low35Very low190 Ų190155.2 Ų155.283%0.82680%0.795SS**  trans-40.6136.9164.1-65.7175.4175.2179.50110.3V131K129-V131 PolarHBondContact O-N 2.82Å
130F28Very low32.7Very low216 Ų216162.1 Ų162.195%0.94783%0.826SS**  trans-50.7119165.4-84.8-99.9000109.3
131V28.1Very low30.8Very low125 Ų125167 Ų16776%0.75884%0.84SS**  trans-114.3118.6163.1-158.80000106.1K129 V133K129-V131 PolarHBondContact O-N 2.82Å; V131-V133 PolarHBondContact O-N 3.11Å
132N31.4Very low29.7Very low163 Ų163165.9 Ų165.987%0.87284%0.838SS**  trans-45.9124.7171-93.4-41.5000110.5
133V30.5Very low29.8Very low140 Ų140165.6 Ų165.685%0.84883%0.834SS**  trans-114.1103.7163.3-177.80000108.6V131V131-V133 PolarHBondContact O-N 3.11Å
134H26.8Very low29.2Very low177 Ų177165.9 Ų165.982%0.81983%0.834SS**PPolyproline II helixtrans-47.5142.9164.4-126.8-69.9000111.9F136H134-F136 PolarHBondContact O-N 2.76Å
135Y25.9Very low28.7Very low226 Ų226164.8 Ų164.889%0.88683%0.83SS**PPolyproline II helixtrans-48.1131.5168.4-98.8-105.4000112.2
136F27.4Very low28.3Very low203 Ų203167.3 Ų167.389%0.8983%0.834SS**PPolyproline II helixtrans-86.9117.3176-153.7-92.6000110H134H134-F136 PolarHBondContact O-N 2.76Å
137T28.2Very low28.2Very low126 Ų126165 Ų16577%0.77383%0.831SS**PPolyproline II helixtrans-79.9139.1172.95.50000111.1
138L31Very low27.6Very low171 Ų171161.3 Ų161.390%0.89582%0.821SS**PPolyproline II helixtrans-81.9129.8168.6-86.3158.3000110.6
139Q26.1Very low27.5Very low177 Ų177155.4 Ų155.483%0.82781%0.814SS**PPolyproline II helixtrans-71.4143.6167-83.9172.8-22.700112
140Q27.1Very low27.5Very low199 Ų199154.6 Ų154.693%0.9381%0.813SS**  trans-146.6149.6137.5-76.2-152.419.100111.9
141H25.6Very low27.5Very low196 Ų196153.3 Ų153.391%0.90781%0.81SS**  trans-74.6158.8-172-77-94.6000115.9
142G23.4Very low27.6Very low73 Ų73156.4 Ų156.475%0.75382%0.816SS**  trans143.9126.9143.700000115.9
143P34.8Very low27.6Very low117 Ų117158 Ų15876%0.7682%0.818SS**  trans-97.5160.5-163.838.8-33.2000114.3
144T23.6Very low27.5Very low122 Ų122160.3 Ų160.375%0.74882%0.82SS**  162.5135125.841.60000111.9
145D25Very low27.6Very low137 Ų137161.3 Ų161.373%0.73383%0.825SS**  trans73.1117.2140.5-58.6-16.4000122.8
146E25.3Very low27.9Very low174 Ų174159.8 Ų159.881%0.81383%0.826SS**  95.7100.4121.6-82-165.9-174.300122.4
147V26.9Very low28.2Very low116 Ų116159.4 Ų159.470%0.70383%0.829SS**  trans77.2144.6130.4-140.80000122.8
148T26.2Very low28.4Very low117 Ų117157 Ų15772%0.71883%0.83SS**  trans93.39815865.50000115.9
149S26.9Very low28.5Very low98 Ų98157.4 Ų157.469%0.68583%0.827SS**  71.4129.18270.30000111.2
150E28.9Very low28.7Very low174 Ų174156.6 Ų156.681%0.81382%0.824SS**  -160.8130.851.5-72.9156.7-176.900107.2
151E27.6Very low29.2Very low189 Ų189155.3 Ų155.388%0.88382%0.823SS**  57.8118.393.6-71-173-169.700116.6
152E31.4Very low29.7Very low190 Ų190151.8 Ų151.889%0.88881%0.81SS**  trans170.889.6141.3-94.2177-161.100107.4
153E30.1Very low30.7Very low195 Ų195155.8 Ų155.891%0.91181%0.814SS**  81.2113.898.1-78.4-169.1175.900114.5
154E28.9Very low30.9Very low189 Ų189156.8 Ų156.888%0.88381%0.812SS**  trans-71.9152.2174.3-60.3172.1157.700110.9
155E29.8Very low31.8Very low199 Ų199158 Ų15893%0.9381%0.814SS**  trans-159117.5132.5-110.1178.1-15400111.3
156E31.3Very low32.8Very low194 Ų194159.2 Ų159.291%0.90782%0.815SS**  trans-59.8140.3172.2-82.9174.6132.900112.6
157M35.2Very low33.5Very low194 Ų194157.2 Ų157.296%0.95681%0.81SS**  trans-132.2110.7152.8-108.7-150.7-6400110.6
158G31.7Very low34Very low77 Ų77160.4 Ų160.479%0.79482%0.822SS**  90.295.9129.600000118
159E33.3Very low34.5Very low178 Ų178160.9 Ų160.983%0.83282%0.821SS**  trans-37.9139.3156.9-56.4171.9165.300114.4
160Q29.9Very low35.5Very low161 Ų161164.1 Ų164.175%0.75283%0.825SS**  176.7119.8114.1-94.8160.337.800111.7I162Q160-I162 HydrophobicContact CB-CG1 4.45Å; Q160-I162 PolarHBondContact O-N 3.09Å
161D38.3Very low35.9Very low172 Ų172166.5 Ų166.592%0.9283%0.828SS**  trans-51.4118.4156.1-68.9-50.7000109.6
162I35.3Very low36.6Very low122 Ų122163 Ų16363%0.62682%0.815SS**  trans-133.2104.9161.5-49.1179.7000107.9Q160 L164Q160-I162 HydrophobicContact CB-CG1 4.45Å; Q160-I162 PolarHBondContact O-N 3.09Å; I162-L164 HydrophobicContact CG2-CD1 3.82Å; I162-L164 PolarHBondContact O-N 2.86Å
163D45.2Very low37.2Very low156 Ų156161.9 Ų161.983%0.83481%0.812SS**  trans-41.3111.8158-116.7-20.6000110.2
164L37.3Very low37.7Very low139 Ų139161.7 Ų161.773%0.72881%0.808SS**  trans-137.255.2167.8-101.5130.3000109.1I162 Q166I162-L164 HydrophobicContact CG2-CD1 3.82Å; I162-L164 PolarHBondContact O-N 2.86Å; L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 2.76Å
165D43.3Very low38.5Very low146 Ų146161.5 Ų161.578%0.78181%0.807SS**  trans-93.572.4160.5-143.419.6000107.7
166Q45.6Very low38.8Very low164 Ų164160.9 Ų160.977%0.76680%0.804SS**  trans-174134.7164.6-103.5148.391.300107.8L164L164-Q166 VanDerWaalsContact C-N 3.33Å; L164-Q166 PolarHBondContact O-N 2.76Å
167D39.8Very low39.2Very low132 Ų132160 Ų16071%0.70680%0.8SS**  trans102.634.3175.3-46.6-14.8000117.1D169D167-D169 PolarHBondContact O-N 2.86Å
168L37.8Very low39.3Very low183 Ų183155.5 Ų155.596%0.95879%0.785SS**  trans-84.474146-95.2159.3000108.2H170L168-H170 PolarHBondContact O-N 3.49Å; L168-H170 VanDerWaalsContact O-N 3.11Å
169D36.7Very low39.7Very low127 Ų127156.5 Ų156.568%0.67978%0.778SS**  trans-50.3119.7172.6-75.7-33000109.7D167 Y171D167-D169 PolarHBondContact O-N 2.86Å; D169-Y171 VanDerWaalsContact C-N 3.35Å; D169-Y171 PolarHBondContact O-N 2.99Å
170H47.4Very low40Very low166 Ų166157.9 Ų157.977%0.76978%0.784SS**  trans-48.298.4162.5-136.262.3000107.8L168 D172L168-H170 PolarHBondContact O-N 3.49Å; L168-H170 VanDerWaalsContact O-N 3.11Å; H170-D172 IonicContact CD2-OD2 2.94Å; H170-D172 PolarHBondContact O-N 3.06Å
171Y37.3Very low40.8Very low224 Ų224154 Ų15488%0.87879%0.788SS**  trans-69.470.1157.6-105.7-88.9000107.1D169 M173D169-Y171 VanDerWaalsContact C-N 3.35Å; D169-Y171 PolarHBondContact O-N 2.99Å; Y171-M173 VanDerWaalsContact C-N 3.31Å; Y171-M173 PolarHBondContact O-N 3.45Å
172D42.3Very low40.9Very low116 Ų116153.8 Ų153.862%0.6278%0.778SS**  trans-66.399.5162-135.9-4.8000104.3H170 K174H170-D172 IonicContact CD2-OD2 2.94Å; H170-D172 PolarHBondContact O-N 3.06Å; D172-K174 PolarHBondContact O-N 2.71Å
173M45.6Very low41.6Very low166 Ų166156.7 Ų156.782%0.81879%0.787SS**  trans-59.194.6164.7-74.1-147.4-52.700106.2Y171 E175Y171-M173 VanDerWaalsContact C-N 3.31Å; Y171-M173 PolarHBondContact O-N 3.45Å; M173-E175 PolarHBondContact O-N 2.68Å; M173-E175 VanDerWaalsContact O-N 3.08Å
174K39.6Very low42.6Very low190 Ų190152.3 Ų152.383%0.82677%0.768SS**  trans-50120.4163.7-82.3-177.7175.6176.50106.1D172 E176D172-K174 PolarHBondContact O-N 2.71Å; K174-E176 PolarHBondContact O-N 3.49Å
175E45Very low44.2Very low185 Ų185152.5 Ų152.586%0.86477%0.765SS**  trans-51.2109.5162.9-72.1179.915900106M173 E177M173-E175 PolarHBondContact O-N 2.68Å; M173-E175 VanDerWaalsContact O-N 3.08Å; E175-E177 VanDerWaalsContact C-N 3.35Å; E175-E177 PolarHBondContact O-N 2.92Å
176E37.7Very low45.9Very low186 Ų186147.3 Ų147.387%0.86974%0.737SS**  trans-59.9108.3164-76.3-169.3159.200105.3K174K174-E176 PolarHBondContact O-N 3.49Å
177E38.3Very low47.7Very low177 Ų177143.1 Ų143.183%0.82772%0.72SS**PPolyproline II helixtrans-51.5127.7166.7-73.2-169.6160.700107.2E175E175-E177 VanDerWaalsContact C-N 3.35Å; E175-E177 PolarHBondContact O-N 2.92Å
178P39Very low49.7Very low98 Ų98139.2 Ų139.264%0.63671%0.711SS**PPolyproline II helixtrans-59.6138.2-177.522.8-30.6000108.5E180P178-E180 PolarHBondContact O-N 3.28Å; P178-E180 VanDerWaalsContact O-N 3.11Å
179P39.2Very low52.2Low99 Ų99131.2 Ų131.264%0.64367%0.669SS**PPolyproline II helixtrans-54.3123.7178.320.6-31.6000109.5G181P179-G181 PolarHBondContact O-N 2.85Å
180E39.3Very low54.7Low207 Ų207130 Ų13097%0.96766%0.659SS**THydrogen-bonded Turntrans-49.3108.7177.9-74-176.414500109.6P178P178-E180 PolarHBondContact O-N 3.28Å; P178-E180 VanDerWaalsContact O-N 3.11Å
181G46.3Very low56.7Low80 Ų80130.8 Ų130.883%0.82566%0.66SS**THydrogen-bonded Turntrans142.1-13.2178.600000116.2P179P179-G181 PolarHBondContact O-N 2.85Å
182K41.7Very low59.2Low167 Ų167127.5 Ų127.573%0.72665%0.653SS**SBendtrans-86.1124.9163.8-75.8-179.6-179.4173.40108.7S184K182-S184 PolarHBondContact O-N 2.94Å; K182-S184 VanDerWaalsContact O-N 3.14Å
183K50.1Low61.6Low183 Ų183122.3 Ų122.380%0.79663%0.625SS**  trans-45.9123.9160.7-78.7-174.8179.2179.60107.1E185 D187K183-E185 PolarHBondContact O-N 3.37Å; K183-D187 WeakPolarHBondContact CA-OD2 3.34Å; K183-D187 VanDerWaalsContact CB-OD2 3.23Å; K183-D187 WeakPolarHBondContact CB-OD2 3.5Å; K183-D187 WeakPolarHBondContact CG-OD2 3.35Å
184S66.1Low63.7Low63 Ų63116.7 Ų116.744%0.44160%0.598SS.*  trans-57.6138.4-178.1820000106.9K182 D186 D187K182-S184 PolarHBondContact O-N 2.94Å; K182-S184 VanDerWaalsContact O-N 3.14Å; S184-D186 PolarHBondContact O-N 2.85Å; S184-D187 WeakPolarHBondContact CB-OD1 3.49Å; S184-D187 PolarHBondContact N-OD1 2.89Å; S184-D187 PolarHBondContact N-OD2 3.05Å; S184-D187 WeakPolarHBondContact O-CB 3.49Å; S184-D187 VanDerWaalsContact O-CG 3.28Å; S184-D187 PolarHBondContact O-N 3.44Å; S184-D187 PolarHBondContact OG-N 2.87Å; S184-D187 PolarHBondContact OG-OD1 2.88Å
185E69.7Low66.2Low144 Ų144110.2 Ų110.267%0.67358%0.58SS**THydrogen-bonded Turntrans-52.4-29.5179.1-72.1-170.1160.300110K183 D187 R228 R232K183-E185 PolarHBondContact O-N 3.37Å; E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3.27Å; E185-R228 IonicContact OE2-CZ 2.71Å; E185-R228 IonicContact OE2-NH1 2.81Å; E185-R228 PolarHBondContact OE2-NH1 3.48Å; E185-R232 PolarHBondContact O-NE 2.91Å; E185-R232 PolarHBondContact O-NH2 2.87Å
186D78.9Confident68.4Low36 Ų36104.5 Ų104.519%0.19356%0.555CS.*THydrogen-bonded Turntrans-91.410.5-174-59-26.1000113.4S184 G188 I189 L194 R201 R228 R232S184-D186 PolarHBondContact O-N 2.85Å; D186-G188 PolarHBondContact O-N 3.01Å; D186-I189 HydrophobicContact CB-CD1 4.38Å; D186-I189 PolarHBondContact O-N 2.8Å; D186-L194 HydrophobicContact CB-CD2 3.63Å; D186-R201 IonicContact OD1-NH2 2.56Å; D186-R201 IonicContact OD2-NH2 2.68Å; D186-R201 PolarHBondContact OD2-NH2 2.73Å; D186-R201 VanDerWaalsContact OD2-NH2 3.09Å; D186-R228 WeakPolarHBondContact OD1-CD 3.35Å; D186-R228 IonicContact OD1-CZ 3.8Å; D186-R228 IonicContact OD1-NE 2.74Å; D186-R228 IonicContact OD1-NH1 2.67Å; D186-R228 PolarHBondContact OD1-NH1 2.94Å; D186-R228 VanDerWaalsContact OD1-NH1 3.07Å; D186-R228 IonicContact OD2-NH1 2.87Å; D186-R232 IonicContact OD1-NH2 3.84Å
187D83.5Confident71Confident77 Ų7795.7 Ų95.741%0.41251%0.514SS..THydrogen-bonded Turntrans-55.5126.9173.9-81.71.5000111.4K183 S184 E185 R232K183-D187 WeakPolarHBondContact CA-OD2 3.34Å; K183-D187 VanDerWaalsContact CB-OD2 3.23Å; K183-D187 WeakPolarHBondContact CB-OD2 3.5Å; K183-D187 WeakPolarHBondContact CG-OD2 3.35Å; S184-D187 WeakPolarHBondContact CB-OD1 3.49Å; S184-D187 PolarHBondContact N-OD1 2.89Å; S184-D187 PolarHBondContact N-OD2 3.05Å; S184-D187 WeakPolarHBondContact O-CB 3.49Å; S184-D187 VanDerWaalsContact O-CG 3.28Å; S184-D187 PolarHBondContact O-N 3.44Å; S184-D187 PolarHBondContact OG-N 2.87Å; S184-D187 PolarHBondContact OG-OD1 2.88Å; E185-D187 VanDerWaalsContact C-N 3.32Å; E185-D187 PolarHBondContact O-N 3.27Å; D187-R232 WeakPolarHBondContact O-CD 3.48Å
188G82.4Confident73.5Confident49 Ų4992.5 Ų92.551%0.50550%0.499SS..THydrogen-bonded Turntrans84.311.7177.200000115.1D186 K237D186-G188 PolarHBondContact O-N 3.01Å; G188-K237 WeakPolarHBondContact O-CE 3.42Å; G188-K237 PolarHBondContact O-NZ 3.21Å
189I91Very high76Confident16 Ų1692.3 Ų92.38%0.08249%0.488CS..  trans-94.9137.4168.6-58.9-179.9000109.3D186 N193 L194 L197 R228 Y231 R232D186-I189 HydrophobicContact CB-CD1 4.38Å; D186-I189 PolarHBondContact O-N 2.8Å; I189-N193 HydrophobicContact CG2-CB 3.6Å; I189-L194 HydrophobicContact CB-CD2 3.73Å; I189-L194 HydrophobicContact CB-CG 4.1Å; I189-L194 HydrophobicContact CD1-CD2 4.37Å; I189-L194 HydrophobicContact CG2-CD2 3.69Å; I189-L194 HydrophobicContact CG2-CG 3.81Å; I189-L197 HydrophobicContact CD1-CD1 3.9Å; I189-L197 HydrophobicContact CG2-CD1 4.5Å; I189-R228 HydrophobicContact CD1-CB 4.27Å; I189-R228 HydrophobicContact CD1-CG 4.38Å; I189-Y231 HydrophobicContact CG2-CD2 4.42Å; I189-R232 HydrophobicContact CD1-CG 3.96Å; I189-R232 HydrophobicContact CG1-CG 3.39Å
190E88.5Confident78.4Confident100 Ų10088 Ų8847%0.46746%0.459SS..  trans-69150.5176.9-62.6175.3173.800111.9E192 N193 L194E190-E192 VanDerWaalsContact C-N 3.25Å; E190-E192 PolarHBondContact O-N 2.86Å; E190-E192 VanDerWaalsContact O-N 3.15Å; E190-N193 PolarHBondContact O-N 3.38Å; E190-L194 PolarHBondContact O-N 2.97Å
191K90.1Very high80.7Confident184 Ų18482.6 Ų82.680%0.843%0.43SS*.Hα-helixtrans-55.7-36.5-174.3-169.7178.6-179.6-179.10113.9L194 A195K191-L194 PolarHBondContact O-N 2.87Å; K191-A195 PolarHBondContact O-N 3.49Å; K191-A195 VanDerWaalsContact O-N 3.1Å
192E89.2Confident82.7Confident154 Ų15485.7 Ų85.772%0.7242%0.421SS*.Hα-helixtrans-66-44.6177.8-63.9180-175.700111.4E190 L194 A195 I196E190-E192 VanDerWaalsContact C-N 3.25Å; E190-E192 PolarHBondContact O-N 2.86Å; E190-E192 VanDerWaalsContact O-N 3.15Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.27Å; E192-A195 WeakPolarHBondContact O-CB 3.45Å; E192-A195 PolarHBondContact O-N 3.42Å; E192-I196 WeakPolarHBondContact O-CG1 3.31Å; E192-I196 PolarHBondContact O-N 3.27Å; E192-I196 VanDerWaalsContact O-N 3.17Å
193N91.9Very high84.8Confident7 Ų780.4 Ų80.44%0.03740%0.4CS..Hα-helixtrans-68.4-33177.9-63.6-49.2000111.9I189 E190 I196 L197 Y231 Y236I189-N193 HydrophobicContact CG2-CB 3.6Å; E190-N193 PolarHBondContact O-N 3.38Å; N193-I196 PolarHBondContact O-N 2.95Å; N193-L197 WeakPolarHBondContact O-CG 3.36Å; N193-L197 PolarHBondContact O-N 2.89Å; N193-L197 VanDerWaalsContact O-N 3.09Å; N193-Y231 HydrophobicContact CB-CD1 4.09Å; N193-Y231 HydrophobicContact CB-CD2 3.64Å; N193-Y231 HydrophobicContact CB-CE1 4.3Å; N193-Y231 HydrophobicContact CB-CE2 3.86Å; N193-Y231 HydrophobicContact CB-CG 3.75Å; N193-Y231 WeakPolarHBondContact OD1-CE1 3.39Å; N193-Y236 PolarHBondContact OD1-OH 3.42Å
194L91Very high86.4Confident48 Ų4873.7 Ų73.725%0.25137%0.372SS..Hα-helixtrans-61.6-45.3170.9-69177000111.9D186 I189 E190 K191 E192 I196 L197 E198D186-L194 HydrophobicContact CB-CD2 3.63Å; I189-L194 HydrophobicContact CB-CD2 3.73Å; I189-L194 HydrophobicContact CB-CG 4.1Å; I189-L194 HydrophobicContact CD1-CD2 4.37Å; I189-L194 HydrophobicContact CG2-CD2 3.69Å; I189-L194 HydrophobicContact CG2-CG 3.81Å; E190-L194 PolarHBondContact O-N 2.97Å; K191-L194 PolarHBondContact O-N 2.87Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.27Å; L194-I196 VanDerWaalsContact C-N 3.25Å; L194-I196 PolarHBondContact O-N 3.17Å; L194-L197 PolarHBondContact O-N 3.1Å; L194-L197 VanDerWaalsContact O-N 3.11Å; L194-E198 PolarHBondContact O-N 3.35Å
195A90.9Very high87.2Confident54 Ų5479.3 Ų79.345%0.44638%0.384SS..Hα-helixtrans-61.6-35.7177.800000112K191 E192 K199K191-A195 PolarHBondContact O-N 3.49Å; K191-A195 VanDerWaalsContact O-N 3.1Å; E192-A195 WeakPolarHBondContact O-CB 3.45Å; E192-A195 PolarHBondContact O-N 3.42Å; A195-K199 VanDerWaalsContact O-CB 3.31Å; A195-K199 WeakPolarHBondContact O-CB 3.45Å; A195-K199 PolarHBondContact O-N 3.22Å
196I91.6Very high87.8Confident65 Ų6577.1 Ų77.133%0.33337%0.373SS..Hα-helixtrans-62.9-47.9173-65169.3000110.5E192 N193 L194 E198 K199 I200E192-I196 WeakPolarHBondContact O-CG1 3.31Å; E192-I196 PolarHBondContact O-N 3.27Å; E192-I196 VanDerWaalsContact O-N 3.17Å; N193-I196 PolarHBondContact O-N 2.95Å; L194-I196 VanDerWaalsContact C-N 3.25Å; L194-I196 PolarHBondContact O-N 3.17Å; I196-E198 PolarHBondContact O-N 3.47Å; I196-K199 WeakPolarHBondContact O-CB 3.11Å; I196-K199 PolarHBondContact O-N 3.36Å; I196-I200 HydrophobicContact CG2-CD1 3.87Å; I196-I200 WeakPolarHBondContact O-CD1 3.37Å; I196-I200 VanDerWaalsContact O-CG1 3.26Å; I196-I200 WeakPolarHBondContact O-CG1 3.32Å; I196-I200 PolarHBondContact O-N 2.91Å
197L91.4Very high87.9Confident2 Ų278.3 Ų78.31%0.0138%0.38CS..Hα-helixtrans-61.4-42.3178.8-68.1167.8000112.5I189 N193 L194 I200 R201 M224 L227 R228 Y231I189-L197 HydrophobicContact CD1-CD1 3.9Å; I189-L197 HydrophobicContact CG2-CD1 4.5Å; N193-L197 WeakPolarHBondContact O-CG 3.36Å; N193-L197 PolarHBondContact O-N 2.89Å; N193-L197 VanDerWaalsContact O-N 3.09Å; L194-L197 PolarHBondContact O-N 3.1Å; L194-L197 VanDerWaalsContact O-N 3.11Å; L197-I200 PolarHBondContact O-N 3.28Å; L197-R201 WeakPolarHBondContact O-CG 3.39Å; L197-R201 PolarHBondContact O-N 3.1Å; L197-M224 HydrophobicContact CD2-CE 4.15Å; L197-M224 HydrophobicContact CD2-SD 4.47Å; L197-L227 HydrophobicContact CD2-CD2 4.03Å; L197-L227 HydrophobicContact CD2-CG 4.28Å; L197-R228 HydrophobicContact CD1-CG 3.66Å; L197-R228 HydrophobicContact CD2-CG 3.79Å; L197-R228 HydrophobicContact CG-CG 4.38Å; L197-Y231 HydrophobicContact CD1-CD2 4.06Å; L197-Y231 HydrophobicContact CD1-CE2 4.45Å; L197-Y231 HydrophobicContact CD2-CD2 4.39Å; L197-Y231 HydrophobicContact CD2-CE2 4.19Å; L197-Y231 HydrophobicContact CG-CD2 4.19Å; L197-Y231 HydrophobicContact CG-CE2 4.07Å
198E91.2Very high87.7Confident109 Ų10979.5 Ų79.551%0.50938%0.383SS..Hα-helixtrans-63.8-42.3175.2-73.4180-172.200112.1L194 I196 I200 R201 K202L194-E198 PolarHBondContact O-N 3.35Å; I196-E198 PolarHBondContact O-N 3.47Å; E198-I200 VanDerWaalsContact C-N 3.32Å; E198-I200 PolarHBondContact O-N 3.45Å; E198-R201 PolarHBondContact O-N 3.16Å; E198-K202 WeakPolarHBondContact O-CG 3.39Å; E198-K202 PolarHBondContact O-N 2.88Å
199K91.6Very high87.6Confident94 Ų9483.1 Ų83.141%0.40939%0.39SS..Hα-helixtrans-59.2-44176.2-174.4-174.3176-162.50111A195 I196 K202 N203 D248A195-K199 VanDerWaalsContact O-CB 3.31Å; A195-K199 WeakPolarHBondContact O-CB 3.45Å; A195-K199 PolarHBondContact O-N 3.22Å; I196-K199 WeakPolarHBondContact O-CB 3.11Å; I196-K199 PolarHBondContact O-N 3.36Å; K199-K202 PolarHBondContact O-N 3.49Å; K199-N203 VanDerWaalsContact O-CG 3.31Å; K199-N203 PolarHBondContact O-N 3.4Å; K199-N203 PolarHBondContact O-OD1 3.19Å; K199-D248 WeakPolarHBondContact CE-OD2 3.27Å; K199-D248 IonicContact NZ-OD1 3.84Å; K199-D248 PolarHBondContact NZ-OD1 2.94Å; K199-D248 IonicContact NZ-OD2 3.82Å; K199-D248 PolarHBondContact NZ-OD2 3.08Å
200I89.9Confident86.9Confident8 Ų887.3 Ų87.34%0.04141%0.412CS..Hα-helixtrans-63.6-46.5178-61.9157.2000110.9I196 L197 E198 K202 N203 Q204 M224 L227 L245I196-I200 HydrophobicContact CG2-CD1 3.87Å; I196-I200 WeakPolarHBondContact O-CD1 3.37Å; I196-I200 VanDerWaalsContact O-CG1 3.26Å; I196-I200 WeakPolarHBondContact O-CG1 3.32Å; I196-I200 PolarHBondContact O-N 2.91Å; L197-I200 PolarHBondContact O-N 3.28Å; E198-I200 VanDerWaalsContact C-N 3.32Å; E198-I200 PolarHBondContact O-N 3.45Å; I200-K202 VanDerWaalsContact C-N 3.28Å; I200-K202 PolarHBondContact O-N 3.39Å; I200-N203 PolarHBondContact O-N 2.93Å; I200-Q204 HydrophobicContact CG2-CG 4.28Å; I200-Q204 WeakPolarHBondContact O-CG 3.44Å; I200-Q204 PolarHBondContact O-N 3.41Å; I200-M224 HydrophobicContact CB-CE 4.36Å; I200-M224 HydrophobicContact CB-SD 4.13Å; I200-M224 HydrophobicContact CD1-SD 4.31Å; I200-M224 HydrophobicContact CG2-CE 4.23Å; I200-M224 HydrophobicContact CG2-SD 3.54Å; I200-M224 VanDerWaalsContact CG2-SD 3.54Å; I200-L227 HydrophobicContact CD1-CD2 3.79Å; I200-L245 HydrophobicContact CD1-CD1 3.32Å; I200-L245 HydrophobicContact CG1-CD1 3.78Å
201R88.3Confident86.1Confident95 Ų9585.8 Ų85.836%0.35842%0.423SS..Hα-helixtrans-58-41.7177.8-70.5-177.5-160.9161.411.2111.5D186 L197 E198 R205 M224 R228D186-R201 IonicContact OD1-NH2 2.56Å; D186-R201 IonicContact OD2-NH2 2.68Å; D186-R201 PolarHBondContact OD2-NH2 2.73Å; D186-R201 VanDerWaalsContact OD2-NH2 3.09Å; L197-R201 WeakPolarHBondContact O-CG 3.39Å; L197-R201 PolarHBondContact O-N 3.1Å; E198-R201 PolarHBondContact O-N 3.16Å; R201-R205 PolarHBondContact O-N 3.39Å; R201-R205 VanDerWaalsContact O-N 3.1Å; R201-M224 HydrophobicContact CG-CE 3.64Å; R201-R228 VanDerWaalsContact NH2-NH1 3.14Å
202K87.7Confident85.2Confident144 Ų14479.8 Ų79.863%0.62641%0.408SS*.Hα-helixtrans-64.7-46.6176.6-73.5177-179.4174.30111.9E198 K199 I200 R205 Q206E198-K202 WeakPolarHBondContact O-CG 3.39Å; E198-K202 PolarHBondContact O-N 2.88Å; K199-K202 PolarHBondContact O-N 3.49Å; I200-K202 VanDerWaalsContact C-N 3.28Å; I200-K202 PolarHBondContact O-N 3.39Å; K202-R205 PolarHBondContact O-N 2.86Å; K202-Q206 PolarHBondContact O-N 2.99Å
203N86Confident84.4Confident56 Ų5675.3 Ų75.330%0.29939%0.391SS..Hα-helixtrans-61-47.5178-72.60.7000111.3K199 I200 R205 Q206 D207K199-N203 VanDerWaalsContact O-CG 3.31Å; K199-N203 PolarHBondContact O-N 3.4Å; K199-N203 PolarHBondContact O-OD1 3.19Å; I200-N203 PolarHBondContact O-N 2.93Å; N203-R205 PolarHBondContact O-N 3.32Å; N203-Q206 WeakPolarHBondContact O-CA 3.28Å; N203-Q206 WeakPolarHBondContact O-CB 3.33Å; N203-Q206 PolarHBondContact O-N 3.4Å; N203-D207 VanDerWaalsContact O-CG 3.26Å; N203-D207 PolarHBondContact O-N 3.01Å
204Q83.6Confident83.2Confident42 Ų4278.9 Ų78.920%0.19642%0.417CS..Hα-helixtrans-57.1-46.8176.9-75.2179.5-31.100111.8I200 Q206 D207 H208I200-Q204 HydrophobicContact CG2-CG 4.28Å; I200-Q204 WeakPolarHBondContact O-CG 3.44Å; I200-Q204 PolarHBondContact O-N 3.41Å; Q204-Q206 VanDerWaalsContact C-N 3.27Å; Q204-Q206 PolarHBondContact O-N 3.32Å; Q204-D207 PolarHBondContact O-N 3.31Å; Q204-H208 WeakPolarHBondContact O-CB 3.42Å; Q204-H208 PolarHBondContact O-CD2 3.4Å; Q204-H208 PolarHBondContact O-N 2.95Å
205R83.3Confident82.7Confident182 Ų18277.8 Ų77.869%0.68742%0.417SS*.Hα-helixtrans-58.6-41.3176.5-175.7178.2177.8-178.4-1.2111.6R201 K202 N203 L209R201-R205 PolarHBondContact O-N 3.39Å; R201-R205 VanDerWaalsContact O-N 3.1Å; K202-R205 PolarHBondContact O-N 2.86Å; N203-R205 PolarHBondContact O-N 3.32Å; R205-L209 HydrophobicContact CG-CD1 4.4Å; R205-L209 WeakPolarHBondContact O-CG 3.29Å; R205-L209 PolarHBondContact O-N 2.99Å; R205-L209 VanDerWaalsContact O-N 3.09Å
206Q81.7Confident82.5Confident97 Ų9776.9 Ų76.945%0.45341%0.407SS..Hα-helixtrans-66.9-42177.9-17063.356.300112K202 N203 Q204 H208 L209 N210K202-Q206 PolarHBondContact O-N 2.99Å; N203-Q206 WeakPolarHBondContact O-CA 3.28Å; N203-Q206 WeakPolarHBondContact O-CB 3.33Å; N203-Q206 PolarHBondContact O-N 3.4Å; Q204-Q206 VanDerWaalsContact C-N 3.27Å; Q204-Q206 PolarHBondContact O-N 3.32Å; Q206-H208 VanDerWaalsContact C-N 3.33Å; Q206-H208 PolarHBondContact O-N 3.43Å; Q206-L209 WeakPolarHBondContact O-CB 3.28Å; Q206-L209 PolarHBondContact O-N 2.84Å; Q206-N210 PolarHBondContact NE2-OD1 3.08Å; Q206-N210 WeakPolarHBondContact O-CB 3.4Å; Q206-N210 PolarHBondContact O-N 2.56Å; Q206-N210 PolarHBondContact O-ND2 3.16Å; Q206-N210 PolarHBondContact O-OD1 3.24Å
207D81.4Confident82.3Confident62 Ų6277.9 Ų77.933%0.33242%0.416SS..Hα-helixtrans-66.2-37.3178.4-64.9-23.6000111.5N203 Q204 N210 G211 A212N203-D207 VanDerWaalsContact O-CG 3.26Å; N203-D207 PolarHBondContact O-N 3.01Å; Q204-D207 PolarHBondContact O-N 3.31Å; D207-N210 CarbonylContact O-C 3.57Å; D207-N210 PolarHBondContact O-N 2.85Å; D207-G211 PolarHBondContact O-N 3.47Å; D207-A212 PolarHBondContact O-N 3.44Å
208H79.6Confident82.2Confident102 Ų10284.4 Ų84.447%0.47245%0.447SS..Hα-helixtrans-60.4-43.2170.7-86.1-78.4000112.4Q204 Q206 N210 G211 V213Q204-H208 WeakPolarHBondContact O-CB 3.42Å; Q204-H208 PolarHBondContact O-CD2 3.4Å; Q204-H208 PolarHBondContact O-N 2.95Å; Q206-H208 VanDerWaalsContact C-N 3.33Å; Q206-H208 PolarHBondContact O-N 3.43Å; H208-N210 VanDerWaalsContact C-N 3.32Å; H208-G211 PolarHBondContact O-N 3.3Å; H208-V213 HydrophobicContact CB-CG2 4.29Å; H208-V213 WeakPolarHBondContact ND1-CG2 3.24Å
209L78.9Confident82.3Confident124 Ų12479.2 Ų79.265%0.64942%0.422SS*.Hα-helixtrans-67.3-34.3175.9-71.9165.8000112.3R205 Q206 G211R205-L209 HydrophobicContact CG-CD1 4.4Å; R205-L209 WeakPolarHBondContact O-CG 3.29Å; R205-L209 PolarHBondContact O-N 2.99Å; R205-L209 VanDerWaalsContact O-N 3.09Å; Q206-L209 WeakPolarHBondContact O-CB 3.28Å; Q206-L209 PolarHBondContact O-N 2.84Å; L209-G211 VanDerWaalsContact C-N 3.34Å
210N76.8Confident82.4Confident105 Ų10575.3 Ų75.356%0.56141%0.407SS*.THydrogen-bonded Turntrans-85.6-3.6-178.3-66.3-11.2000113.6Q206 D207 H208 A212Q206-N210 PolarHBondContact NE2-OD1 3.08Å; Q206-N210 WeakPolarHBondContact O-CB 3.4Å; Q206-N210 PolarHBondContact O-N 2.56Å; Q206-N210 PolarHBondContact O-ND2 3.16Å; Q206-N210 PolarHBondContact O-OD1 3.24Å; D207-N210 CarbonylContact O-C 3.57Å; D207-N210 PolarHBondContact O-N 2.85Å; H208-N210 VanDerWaalsContact C-N 3.32Å; N210-A212 PolarHBondContact O-N 2.71Å
211G71.5Confident82.5Confident68 Ų6879.8 Ų79.870%0.70143%0.431SS*.THydrogen-bonded Turntrans68.213.1-175.600000114.6D207 H208 L209 V213D207-G211 PolarHBondContact O-N 3.47Å; H208-G211 PolarHBondContact O-N 3.3Å; L209-G211 VanDerWaalsContact C-N 3.34Å; G211-V213 VanDerWaalsContact C-N 3.34Å; G211-V213 PolarHBondContact O-N 3.05Å
212A71.2Confident82.8Confident58 Ų5877.6 Ų77.648%0.47942%0.423SS..  trans-98.632.4-176.900000112.4D207 N210 S214D207-A212 PolarHBondContact O-N 3.44Å; N210-A212 PolarHBondContact O-N 2.71Å; A212-S214 PolarHBondContact O-N 2.9Å
213V72.4Confident83.3Confident60 Ų6070.7 Ų70.736%0.36439%0.393SS..  trans-65.1118.9-172.5-176.30000110.3H208 G211H208-V213 HydrophobicContact CB-CG2 4.29Å; H208-V213 WeakPolarHBondContact ND1-CG2 3.24Å; G211-V213 VanDerWaalsContact C-N 3.34Å; G211-V213 PolarHBondContact O-N 3.05Å
214S67.9Low83.7Confident82 Ų8268.4 Ų68.457%0.57338%0.38SS*.  trans-88.8123.5171.3-63.70000110.3A212 Y251A212-S214 PolarHBondContact O-N 2.9Å; S214-Y251 VanDerWaalsContact O-CE2 3.26Å; S214-Y251 WeakPolarHBondContact O-CE2 3.34Å
215G80.6Confident84.3Confident24 Ų2471.9 Ų71.925%0.24740%0.395CS..SBendtrans75.4-164.5176.200000116.1Y251 D290G215-Y251 WeakPolarHBondContact CA-OH 3.42Å; G215-D290 VanDerWaalsContact CA-OD1 3.26Å; G215-D290 WeakPolarHBondContact CA-OD1 3.41Å
216S86.6Confident85Confident36 Ų3663.4 Ų63.425%0.25236%0.363SS..  trans-101.2149.6-177.280.50000111.7Q218 A219 S220 Y251 D290S216-Q218 PolarHBondContact O-N 3.14Å; S216-A219 PolarHBondContact O-N 3.49Å; S216-A219 VanDerWaalsContact OG-CB 3.27Å; S216-A219 WeakPolarHBondContact OG-CB 3.23Å; S216-A219 PolarHBondContact OG-N 3.18Å; S216-A219 VanDerWaalsContact OG-N 3.1Å; S216-S220 WeakPolarHBondContact O-CB 3.25Å; S216-S220 PolarHBondContact O-N 3.2Å; S216-S220 PolarHBondContact O-OG 3.16Å; S216-Y251 PolarHBondContact N-OH 3.41Å; S216-Y251 PolarHBondContact O-OH 3.32Å; S216-Y251 VanDerWaalsContact O-OH 3.08Å; S216-D290 WeakPolarHBondContact CB-O 3.36Å; S216-D290 PolarHBondContact OG-O 3.02Å
217V87.3Confident85.7Confident86 Ų8658.8 Ų58.852%0.52134%0.341SS..Hα-helixtrans-56.4-41.9176.7177.60000110.9A219 S220 D221V217-A219 PolarHBondContact O-N 3.44Å; V217-S220 PolarHBondContact O-N 3.34Å; V217-D221 WeakPolarHBondContact O-CB 3.35Å; V217-D221 VanDerWaalsContact O-CG 3.29Å; V217-D221 PolarHBondContact O-N 2.99Å
218Q89.4Confident86.3Confident139 Ų13957.8 Ų57.865%0.6533%0.333SS*.Hα-helixtrans-63.6-43.5179.4-65.3-180-8.500112.5S216 R222S216-Q218 PolarHBondContact O-N 3.14Å; Q218-R222 WeakPolarHBondContact O-CB 3.34Å; Q218-R222 PolarHBondContact O-N 3.44Å; Q218-R222 VanDerWaalsContact O-N 3.08Å
219A93.1Very high87.1Confident0 Ų056.1 Ų56.10%033%0.325CS..Hα-helixtrans-66-46.3176.700000110.9S216 V217 D221 R222 L223 Y251 D290 F292S216-A219 PolarHBondContact O-N 3.49Å; S216-A219 VanDerWaalsContact OG-CB 3.27Å; S216-A219 WeakPolarHBondContact OG-CB 3.23Å; S216-A219 PolarHBondContact OG-N 3.18Å; S216-A219 VanDerWaalsContact OG-N 3.1Å; V217-A219 PolarHBondContact O-N 3.44Å; A219-D221 PolarHBondContact O-N 3.48Å; A219-R222 PolarHBondContact O-N 3.44Å; A219-L223 WeakPolarHBondContact O-CB 3.48Å; A219-L223 VanDerWaalsContact O-CG 3.24Å; A219-L223 WeakPolarHBondContact O-CG 3.41Å; A219-L223 PolarHBondContact O-N 3.39Å; A219-Y251 HydrophobicContact CB-CE1 3.97Å; A219-Y251 WeakPolarHBondContact CB-OH 3.32Å; A219-D290 WeakPolarHBondContact CB-O 3.49Å; A219-F292 VanDerWaalsContact CA-O 3.31Å; A219-F292 WeakPolarHBondContact CA-O 3.47Å; A219-F292 HydrophobicContact CB-CB 4.34Å; A219-F292 VanDerWaalsContact CB-O 3.26Å; A219-F292 WeakPolarHBondContact CB-O 3.41Å
220S93.1Very high88Confident11 Ų1150.2 Ų50.28%0.07730%0.295CS..Hα-helixtrans-57.7-46.9177.1-69.70000112.2S216 V217 R222 L223 M224 L250 Y251S216-S220 WeakPolarHBondContact O-CB 3.25Å; S216-S220 PolarHBondContact O-N 3.2Å; S216-S220 PolarHBondContact O-OG 3.16Å; V217-S220 PolarHBondContact O-N 3.34Å; S220-R222 PolarHBondContact O-N 2.97Å; S220-L223 PolarHBondContact O-N 2.91Å; S220-M224 WeakPolarHBondContact O-CB 3.46Å; S220-M224 WeakPolarHBondContact O-CG 3.47Å; S220-M224 PolarHBondContact O-N 3.24Å; S220-L250 WeakPolarHBondContact O-CD2 3.17Å; S220-Y251 PolarHBondContact N-OH 3.22Å; S220-Y251 PolarHBondContact OG-OH 3.06Å
221D91.7Very high88.9Confident103 Ų10345.3 Ų45.355%0.55127%0.268SS*.Hα-helixtrans-62.6-43.3177.9-75-17.9000111.6V217 A219 M224 K225V217-D221 WeakPolarHBondContact O-CB 3.35Å; V217-D221 VanDerWaalsContact O-CG 3.29Å; V217-D221 PolarHBondContact O-N 2.99Å; A219-D221 PolarHBondContact O-N 3.48Å; D221-M224 PolarHBondContact O-N 2.99Å; D221-K225 PolarHBondContact O-N 3.42Å
222R95.9Very high90Very high48 Ų4845.5 Ų45.518%0.18125%0.248CC..Hα-helixtrans-64.3-44.2177.117959.4-174.9-84-4.6111.5Q218 A219 S220 K225 E226 F292 P293 S329 Y331Q218-R222 WeakPolarHBondContact O-CB 3.34Å; Q218-R222 PolarHBondContact O-N 3.44Å; Q218-R222 VanDerWaalsContact O-N 3.08Å; A219-R222 PolarHBondContact O-N 3.44Å; S220-R222 PolarHBondContact O-N 2.97Å; R222-K225 WeakPolarHBondContact O-CB 3.48Å; R222-K225 PolarHBondContact O-N 3.33Å; R222-E226 HydrophobicContact CG-CG 4.5Å; R222-E226 IonicContact CZ-OE1 3.98Å; R222-E226 IonicContact NE-OE1 3.07Å; R222-E226 PolarHBondContact NE-OE1 2.72Å; R222-E226 IonicContact NH2-OE1 3.92Å; R222-E226 PolarHBondContact NH2-OE1 3.31Å; R222-E226 WeakPolarHBondContact O-CG 3.48Å; R222-E226 PolarHBondContact O-N 2.9Å; R222-F292 HydrophobicContact CB-CD1 4.43Å; R222-F292 HydrophobicContact CB-CE1 4.21Å; R222-F292 HydrophobicContact CG-CD1 4.11Å; R222-F292 HydrophobicContact CG-CE1 3.53Å; R222-F292 HydrophobicContact CG-CZ 4.27Å; R222-P293 HydrophobicContact CG-CB 4.03Å; R222-P293 HydrophobicContact CG-CG 3.99Å; R222-P293 VanDerWaalsContact NH1-CB 3.28Å; R222-P293 VanDerWaalsContact NH1-CG 3.28Å; R222-S329 VanDerWaalsContact CZ-O 3.28Å; R222-S329 PolarHBondContact NH1-O 3.42Å; R222-S329 PolarHBondContact NH2-O 3.28Å; R222-Y331 PolarHBondContact NH2-O 3.41Å; R222-Y331 VanDerWaalsContact NH2-O 3.1Å
223L96.9Very high91.2Very high0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-64.2-41178.7-72.2165.1000112A219 S220 K225 E226 L227 L250 Y251 W253 Y288 F292A219-L223 WeakPolarHBondContact O-CB 3.48Å; A219-L223 VanDerWaalsContact O-CG 3.24Å; A219-L223 WeakPolarHBondContact O-CG 3.41Å; A219-L223 PolarHBondContact O-N 3.39Å; S220-L223 PolarHBondContact O-N 2.91Å; L223-K225 VanDerWaalsContact C-N 3.29Å; L223-K225 PolarHBondContact O-N 3.02Å; L223-E226 PolarHBondContact O-N 2.96Å; L223-L227 WeakPolarHBondContact O-CB 3.42Å; L223-L227 PolarHBondContact O-N 3.15Å; L223-L250 HydrophobicContact CB-CD1 4.04Å; L223-L250 HydrophobicContact CB-CD2 3.78Å; L223-L250 HydrophobicContact CB-CG 3.67Å; L223-L250 HydrophobicContact CD1-CG 4.22Å; L223-Y251 HydrophobicContact CD1-CD1 3.87Å; L223-Y251 HydrophobicContact CD1-CE1 3.78Å; L223-Y251 HydrophobicContact CD1-CE2 4.46Å; L223-Y251 HydrophobicContact CD1-CG 4.26Å; L223-W253 HydrophobicContact CB-CZ2 4.29Å; L223-W253 HydrophobicContact CD2-CH2 4.4Å; L223-W253 HydrophobicContact CD2-CZ2 3.91Å; L223-Y288 HydrophobicContact CD1-CG 4.33Å; L223-Y288 HydrophobicContact CD2-CD1 3.45Å; L223-Y288 VanDerWaalsContact CD2-CD1 3.45Å; L223-Y288 HydrophobicContact CD2-CD2 3.86Å; L223-Y288 HydrophobicContact CD2-CE1 3.63Å; L223-Y288 HydrophobicContact CD2-CE2 4.06Å; L223-Y288 HydrophobicContact CD2-CG 3.57Å; L223-F292 HydrophobicContact CD1-CD1 4.34Å; L223-F292 HydrophobicContact CD2-CD1 3.69Å; L223-F292 HydrophobicContact CD2-CE1 3.44Å; L223-F292 VanDerWaalsContact CD2-CE1 3.44Å; L223-F292 HydrophobicContact CD2-CG 4.48Å; L223-F292 HydrophobicContact CD2-CZ 4.13Å; L223-F292 HydrophobicContact CG-CD1 3.69Å; L223-F292 HydrophobicContact CG-CE1 3.75Å
224M94.9Very high92.2Very high8 Ų846.6 Ų46.64%0.03924%0.24CC..Hα-helixtrans-59.7-41.7172.9-78.7-62.3-8100111.6L197 I200 R201 S220 D221 R228 L250L197-M224 HydrophobicContact CD2-CE 4.15Å; L197-M224 HydrophobicContact CD2-SD 4.47Å; I200-M224 HydrophobicContact CB-CE 4.36Å; I200-M224 HydrophobicContact CB-SD 4.13Å; I200-M224 HydrophobicContact CD1-SD 4.31Å; I200-M224 HydrophobicContact CG2-CE 4.23Å; I200-M224 HydrophobicContact CG2-SD 3.54Å; I200-M224 VanDerWaalsContact CG2-SD 3.54Å; R201-M224 HydrophobicContact CG-CE 3.64Å; S220-M224 WeakPolarHBondContact O-CB 3.46Å; S220-M224 WeakPolarHBondContact O-CG 3.47Å; S220-M224 PolarHBondContact O-N 3.24Å; D221-M224 PolarHBondContact O-N 2.99Å; M224-R228 VanDerWaalsContact O-CG 3.28Å; M224-R228 WeakPolarHBondContact O-CG 3.39Å; M224-R228 PolarHBondContact O-N 3.38Å; M224-R228 VanDerWaalsContact O-N 3.1Å; M224-L250 HydrophobicContact CG-CD2 3.68Å; M224-L250 HydrophobicContact SD-CD1 4.07Å; M224-L250 HydrophobicContact SD-CD2 4.05Å
225K95.7Very high93.5Very high115 Ų11543.2 Ų43.250%0.522%0.216SC..Hα-helixtrans-63.1-47.9175.9-179.5-177.6168.4-175.70111.8D221 R222 L223 L227 R228 E229D221-K225 PolarHBondContact O-N 3.42Å; R222-K225 WeakPolarHBondContact O-CB 3.48Å; R222-K225 PolarHBondContact O-N 3.33Å; L223-K225 VanDerWaalsContact C-N 3.29Å; L223-K225 PolarHBondContact O-N 3.02Å; K225-L227 PolarHBondContact O-N 3.18Å; K225-R228 PolarHBondContact O-N 2.81Å; K225-E229 WeakPolarHBondContact CE-OE1 3.36Å; K225-E229 IonicContact NZ-OE1 3.72Å; K225-E229 WeakPolarHBondContact O-CG 3.25Å; K225-E229 PolarHBondContact O-N 2.82Å
226E97.8Very high94.3Very high4 Ų443.6 Ų43.62%0.01921%0.211CC..Hα-helixtrans-60-44.5178.6-68.9-67.8159.200111.9R222 L223 R228 E229 I230 W253 S332 I333R222-E226 HydrophobicContact CG-CG 4.5Å; R222-E226 IonicContact CZ-OE1 3.98Å; R222-E226 IonicContact NE-OE1 3.07Å; R222-E226 PolarHBondContact NE-OE1 2.72Å; R222-E226 IonicContact NH2-OE1 3.92Å; R222-E226 PolarHBondContact NH2-OE1 3.31Å; R222-E226 WeakPolarHBondContact O-CG 3.48Å; R222-E226 PolarHBondContact O-N 2.9Å; L223-E226 PolarHBondContact O-N 2.96Å; E226-R228 VanDerWaalsContact C-N 3.34Å; E226-R228 PolarHBondContact O-N 2.77Å; E226-E229 PolarHBondContact O-N 2.88Å; E226-I230 WeakPolarHBondContact O-CG1 3.42Å; E226-I230 PolarHBondContact O-N 2.78Å; E226-W253 HydrophobicContact CB-CH2 4.23Å; E226-S332 WeakPolarHBondContact OE2-CA 3.47Å; E226-I333 HydrophobicContact CB-CB 4.34Å; E226-I333 HydrophobicContact CB-CG1 3.95Å; E226-I333 HydrophobicContact CG-CG1 3.79Å; E226-I333 PolarHBondContact OE2-N 3.12Å
227L96.4Very high94.6Very high0 Ų045.5 Ų45.50%021%0.214CC..Hα-helixtrans-63.1-41.3178.5-17162.8000111.6L197 I200 L223 K225 I230 Y231 V243 L245 L250 W253L197-L227 HydrophobicContact CD2-CD2 4.03Å; L197-L227 HydrophobicContact CD2-CG 4.28Å; I200-L227 HydrophobicContact CD1-CD2 3.79Å; L223-L227 WeakPolarHBondContact O-CB 3.42Å; L223-L227 PolarHBondContact O-N 3.15Å; K225-L227 PolarHBondContact O-N 3.18Å; L227-I230 PolarHBondContact O-N 2.78Å; L227-Y231 HydrophobicContact CD1-CE1 4.1Å; L227-Y231 HydrophobicContact CD1-CE2 4.05Å; L227-Y231 HydrophobicContact CD2-CE2 4.11Å; L227-Y231 HydrophobicContact CG-CD2 4.26Å; L227-Y231 HydrophobicContact CG-CE2 3.67Å; L227-Y231 WeakPolarHBondContact O-CD2 3.28Å; L227-Y231 PolarHBondContact O-N 2.89Å; L227-V243 HydrophobicContact CD1-CG1 4Å; L227-L245 HydrophobicContact CD2-CD1 4.32Å; L227-L245 HydrophobicContact CD2-CD2 4.42Å; L227-L250 HydrophobicContact CD2-CD1 4.35Å; L227-W253 HydrophobicContact CB-CH2 3.95Å; L227-W253 HydrophobicContact CB-CZ2 4.2Å; L227-W253 HydrophobicContact CD1-CH2 4.2Å; L227-W253 HydrophobicContact CD1-CZ2 4.44Å; L227-W253 HydrophobicContact CD1-CZ3 4.32Å
228R95.6Very high95Very high40 Ų4044.8 Ų44.815%0.15121%0.21CC..Hα-helixtrans-62.5-43.7173.6-73.8-173.2-147.9-170.221.8112.3E185 D186 I189 L197 R201 M224 K225 E226 Y231 R232E185-R228 IonicContact OE2-CZ 2.71Å; E185-R228 IonicContact OE2-NH1 2.81Å; E185-R228 PolarHBondContact OE2-NH1 3.48Å; D186-R228 WeakPolarHBondContact OD1-CD 3.35Å; D186-R228 IonicContact OD1-CZ 3.8Å; D186-R228 IonicContact OD1-NE 2.74Å; D186-R228 IonicContact OD1-NH1 2.67Å; D186-R228 PolarHBondContact OD1-NH1 2.94Å; D186-R228 VanDerWaalsContact OD1-NH1 3.07Å; D186-R228 IonicContact OD2-NH1 2.87Å; I189-R228 HydrophobicContact CD1-CB 4.27Å; I189-R228 HydrophobicContact CD1-CG 4.38Å; L197-R228 HydrophobicContact CD1-CG 3.66Å; L197-R228 HydrophobicContact CD2-CG 3.79Å; L197-R228 HydrophobicContact CG-CG 4.38Å; R201-R228 VanDerWaalsContact NH2-NH1 3.14Å; M224-R228 VanDerWaalsContact O-CG 3.28Å; M224-R228 WeakPolarHBondContact O-CG 3.39Å; M224-R228 PolarHBondContact O-N 3.38Å; M224-R228 VanDerWaalsContact O-N 3.1Å; K225-R228 PolarHBondContact O-N 2.81Å; E226-R228 VanDerWaalsContact C-N 3.34Å; E226-R228 PolarHBondContact O-N 2.77Å; R228-Y231 PolarHBondContact O-N 2.81Å; R228-R232 WeakPolarHBondContact O-CG 3.4Å; R228-R232 PolarHBondContact O-N 2.57Å; R228-R232 VanDerWaalsContact O-N 3.13Å
229E95.9Very high95.2Very high68 Ų6839.4 Ų39.432%0.31819%0.192SC..Hα-helixtrans-62.3-43.8177.9-75178.6-178.300111.3K225 E226 Y231 R232 S233K225-E229 WeakPolarHBondContact CE-OE1 3.36Å; K225-E229 IonicContact NZ-OE1 3.72Å; K225-E229 WeakPolarHBondContact O-CG 3.25Å; K225-E229 PolarHBondContact O-N 2.82Å; E226-E229 PolarHBondContact O-N 2.88Å; E229-Y231 PolarHBondContact O-N 2.87Å; E229-R232 PolarHBondContact O-N 2.88Å; E229-S233 PolarHBondContact O-N 3.44Å
230I97Very high95.4Very high0 Ų041.1 Ų41.10%020%0.201CC..Hα-helixtrans-55.4-50.7172.5-74.3166.6000110.9E226 L227 R232 S233 Y236 Y241 V243 W253 I333 E334 I337E226-I230 WeakPolarHBondContact O-CG1 3.42Å; E226-I230 PolarHBondContact O-N 2.78Å; L227-I230 PolarHBondContact O-N 2.78Å; I230-R232 PolarHBondContact O-N 2.86Å; I230-S233 VanDerWaalsContact O-CB 3.28Å; I230-S233 WeakPolarHBondContact O-CB 3.25Å; I230-S233 PolarHBondContact O-N 2.75Å; I230-S233 PolarHBondContact O-OG 2.85Å; I230-Y236 HydrophobicContact CG2-CD2 3.75Å; I230-Y236 HydrophobicContact CG2-CE2 4.37Å; I230-Y236 HydrophobicContact CG2-CG 4.12Å; I230-Y236 WeakPolarHBondContact O-CB 3.5Å; I230-Y241 HydrophobicContact CG2-CE2 3.75Å; I230-V243 HydrophobicContact CG2-CG2 4.01Å; I230-W253 HydrophobicContact CD1-CZ3 3.75Å; I230-I333 HydrophobicContact CD1-CB 4.13Å; I230-I333 HydrophobicContact CD1-CG2 3.92Å; I230-E334 HydrophobicContact CG1-CB 4.17Å; I230-I337 HydrophobicContact CD1-CD1 4.23Å
231Y96.3Very high95.6Very high2 Ų240.7 Ų40.71%0.00820%0.197CC..Hα-helixtrans-64.9-25-178.8-65.4-30.9000114.2I189 N193 L197 L227 R228 E229 Y236I189-Y231 HydrophobicContact CG2-CD2 4.42Å; N193-Y231 HydrophobicContact CB-CD1 4.09Å; N193-Y231 HydrophobicContact CB-CD2 3.64Å; N193-Y231 HydrophobicContact CB-CE1 4.3Å; N193-Y231 HydrophobicContact CB-CE2 3.86Å; N193-Y231 HydrophobicContact CB-CG 3.75Å; N193-Y231 WeakPolarHBondContact OD1-CE1 3.39Å; L197-Y231 HydrophobicContact CD1-CD2 4.06Å; L197-Y231 HydrophobicContact CD1-CE2 4.45Å; L197-Y231 HydrophobicContact CD2-CD2 4.39Å; L197-Y231 HydrophobicContact CD2-CE2 4.19Å; L197-Y231 HydrophobicContact CG-CD2 4.19Å; L197-Y231 HydrophobicContact CG-CE2 4.07Å; L227-Y231 HydrophobicContact CD1-CE1 4.1Å; L227-Y231 HydrophobicContact CD1-CE2 4.05Å; L227-Y231 HydrophobicContact CD2-CE2 4.11Å; L227-Y231 HydrophobicContact CG-CD2 4.26Å; L227-Y231 HydrophobicContact CG-CE2 3.67Å; L227-Y231 WeakPolarHBondContact O-CD2 3.28Å; L227-Y231 PolarHBondContact O-N 2.89Å; R228-Y231 PolarHBondContact O-N 2.81Å; E229-Y231 PolarHBondContact O-N 2.87Å; Y231-Y236 HydrophobicContact CD1-CD1 4.15Å; Y231-Y236 HydrophobicContact CD1-CD2 4.47Å; Y231-Y236 AromaticContact CD1-CE1 3.6Å; Y231-Y236 HydrophobicContact CD1-CE1 3.6Å; Y231-Y236 AromaticContact CD1-CE2 3.95Å; Y231-Y236 HydrophobicContact CD1-CE2 3.95Å; Y231-Y236 AromaticContact CD1-CZ 3.48Å; Y231-Y236 VanDerWaalsContact CD1-CZ 3.48Å; Y231-Y236 HydrophobicContact CE1-CE1 4.2Å; Y231-Y236 HydrophobicContact CE1-CE2 4.01Å; Y231-Y236 AromaticContact CE1-CZ 3.63Å; Y231-Y236 WeakPolarHBondContact CE1-OH 3.45Å
232R95.1Very high95.8Very high72 Ų7236.7 Ų36.727%0.27218%0.178SC..Hα-helixtrans-80.5-24.7173-67.9-171.9-150.395.85.6112.9E185 D186 D187 I189 R228 E229 I230 K237E185-R232 PolarHBondContact O-NE 2.91Å; E185-R232 PolarHBondContact O-NH2 2.87Å; D186-R232 IonicContact OD1-NH2 3.84Å; D187-R232 WeakPolarHBondContact O-CD 3.48Å; I189-R232 HydrophobicContact CD1-CG 3.96Å; I189-R232 HydrophobicContact CG1-CG 3.39Å; R228-R232 WeakPolarHBondContact O-CG 3.4Å; R228-R232 PolarHBondContact O-N 2.57Å; R228-R232 VanDerWaalsContact O-N 3.13Å; E229-R232 PolarHBondContact O-N 2.88Å; I230-R232 PolarHBondContact O-N 2.86Å; R232-K237 WeakPolarHBondContact O-CE 3.36Å; R232-K237 PolarHBondContact O-NZ 3.47Å
233S95.4Very high95.9Very high11 Ų1134.8 Ų34.88%0.07717%0.171CC..SBendtrans-62.5149.3-172.477.40000113.5E229 I230 S235 Y236 K237 Y241 E334E229-S233 PolarHBondContact O-N 3.44Å; I230-S233 VanDerWaalsContact O-CB 3.28Å; I230-S233 WeakPolarHBondContact O-CB 3.25Å; I230-S233 PolarHBondContact O-N 2.75Å; I230-S233 PolarHBondContact O-OG 2.85Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact OG-OG 3.44Å; S233-Y236 WeakPolarHBondContact OG-CB 3.45Å; S233-Y236 PolarHBondContact OG-N 2.79Å; S233-K237 WeakPolarHBondContact O-CD 3.43Å; S233-K237 VanDerWaalsContact O-CG 3.3Å; S233-K237 WeakPolarHBondContact O-CG 3.37Å; S233-K237 PolarHBondContact O-N 3.03Å; S233-Y241 PolarHBondContact OG-OH 3.21Å; S233-E334 VanDerWaalsContact CB-OE1 3.24Å; S233-E334 WeakPolarHBondContact CB-OE1 3.33Å; S233-E334 VanDerWaalsContact CB-OE2 3.3Å; S233-E334 WeakPolarHBondContact CB-OE2 3.07Å
234Q94.2Very high95.9Very high130 Ų13038.8 Ų38.861%0.60719%0.19SC*.Hα-helixtrans-72-31.3175.2-66.8-58.6-41.900112Y236 K237 T238Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 2.92Å; Q234-K237 PolarHBondContact O-N 3.38Å; Q234-T238 WeakPolarHBondContact O-CB 3.27Å; Q234-T238 VanDerWaalsContact O-CG2 3.24Å; Q234-T238 WeakPolarHBondContact O-CG2 3.23Å; Q234-T238 PolarHBondContact O-N 3.16Å; Q234-T238 PolarHBondContact O-OG1 2.53Å
235S94.9Very high95.8Very high10 Ų1039.8 Ų39.87%0.0720%0.195CC..Hα-helixtrans-62.8-40.9178.762.70000111.7S233 T238 I240 Y241 E334S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact OG-OG 3.44Å; S235-T238 PolarHBondContact O-OG1 2.99Å; S235-I240 WeakPolarHBondContact O-CB 3.14Å; S235-I240 PolarHBondContact O-N 3.37Å; S235-I240 VanDerWaalsContact O-N 3.1Å; S235-Y241 VanDerWaalsContact OG-CE1 3.23Å; S235-Y241 WeakPolarHBondContact OG-CE1 3.49Å; S235-Y241 PolarHBondContact OG-OH 2.91Å; S235-E334 WeakPolarHBondContact CB-OE1 3.26Å; S235-E334 PolarHBondContact OG-OE1 2.87Å
236Y96.4Very high95.6Very high33 Ų3336 Ų3613%0.12918%0.182CC..Hα-helixtrans-67.4-51172.4-176.2-98.1000111.9N193 I230 Y231 S233 Q234 T238 G239 Y241 V243N193-Y236 PolarHBondContact OD1-OH 3.42Å; I230-Y236 HydrophobicContact CG2-CD2 3.75Å; I230-Y236 HydrophobicContact CG2-CE2 4.37Å; I230-Y236 HydrophobicContact CG2-CG 4.12Å; I230-Y236 WeakPolarHBondContact O-CB 3.5Å; Y231-Y236 HydrophobicContact CD1-CD1 4.15Å; Y231-Y236 HydrophobicContact CD1-CD2 4.47Å; Y231-Y236 AromaticContact CD1-CE1 3.6Å; Y231-Y236 HydrophobicContact CD1-CE1 3.6Å; Y231-Y236 AromaticContact CD1-CE2 3.95Å; Y231-Y236 HydrophobicContact CD1-CE2 3.95Å; Y231-Y236 AromaticContact CD1-CZ 3.48Å; Y231-Y236 VanDerWaalsContact CD1-CZ 3.48Å; Y231-Y236 HydrophobicContact CE1-CE1 4.2Å; Y231-Y236 HydrophobicContact CE1-CE2 4.01Å; Y231-Y236 AromaticContact CE1-CZ 3.63Å; Y231-Y236 WeakPolarHBondContact CE1-OH 3.45Å; S233-Y236 WeakPolarHBondContact OG-CB 3.45Å; S233-Y236 PolarHBondContact OG-N 2.79Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 2.92Å; Y236-T238 VanDerWaalsContact C-N 3.28Å; Y236-T238 PolarHBondContact O-N 3.26Å; Y236-G239 WeakPolarHBondContact O-CA 3.22Å; Y236-G239 PolarHBondContact O-N 3.25Å; Y236-Y241 HydrophobicContact CD2-CD2 4.25Å; Y236-Y241 AromaticContact CD2-CE2 3.91Å; Y236-Y241 HydrophobicContact CD2-CE2 3.91Å; Y236-V243 HydrophobicContact CE2-CG2 4.42Å
237K94.6Very high95.1Very high76 Ų7642.2 Ų42.233%0.3322%0.215SC..Hα-helixtrans-61.5-32.9-178.2-73170.7177.5165.70113.9G188 R232 S233 Q234 G239G188-K237 WeakPolarHBondContact O-CE 3.42Å; G188-K237 PolarHBondContact O-NZ 3.21Å; R232-K237 WeakPolarHBondContact O-CE 3.36Å; R232-K237 PolarHBondContact O-NZ 3.47Å; S233-K237 WeakPolarHBondContact O-CD 3.43Å; S233-K237 VanDerWaalsContact O-CG 3.3Å; S233-K237 WeakPolarHBondContact O-CG 3.37Å; S233-K237 PolarHBondContact O-N 3.03Å; Q234-K237 PolarHBondContact O-N 3.38Å; K237-G239 PolarHBondContact O-N 2.63Å
238T93.9Very high94.6Very high71 Ų7145.8 Ų45.844%0.43623%0.234SC..THydrogen-bonded Turntrans-78.2-3.8175.154.90000112.9Q234 S235 Y236 K259Q234-T238 WeakPolarHBondContact O-CB 3.27Å; Q234-T238 VanDerWaalsContact O-CG2 3.24Å; Q234-T238 WeakPolarHBondContact O-CG2 3.23Å; Q234-T238 PolarHBondContact O-N 3.16Å; Q234-T238 PolarHBondContact O-OG1 2.53Å; S235-T238 PolarHBondContact O-OG1 2.99Å; Y236-T238 VanDerWaalsContact C-N 3.28Å; Y236-T238 PolarHBondContact O-N 3.26Å; T238-K259 PolarHBondContact O-NZ 3.31Å
239G94.7Very high94.3Very high26 Ų2645.7 Ų45.727%0.26824%0.239SC..THydrogen-bonded Turntrans7231176.900000113.5Y236 K237 Y241Y236-G239 WeakPolarHBondContact O-CA 3.22Å; Y236-G239 PolarHBondContact O-N 3.25Å; K237-G239 PolarHBondContact O-N 2.63Å; G239-Y241 VanDerWaalsContact C-N 3.27Å
240I96.4Very high94.1Very high35 Ų3542.8 Ų42.818%0.17923%0.226CC..SBendtrans-63.8-41.6173.1-63.1177000109.6S235 R258 K259 M338S235-I240 WeakPolarHBondContact O-CB 3.14Å; S235-I240 PolarHBondContact O-N 3.37Å; S235-I240 VanDerWaalsContact O-N 3.1Å; I240-R258 PolarHBondContact O-N 3.03Å; I240-K259 HydrophobicContact CG2-CB 4.48Å; I240-K259 PolarHBondContact O-N 2.93Å; I240-M338 HydrophobicContact CD1-CE 4.1Å; I240-M338 HydrophobicContact CD1-SD 4.48Å; I240-M338 HydrophobicContact CG2-CE 4.31Å; I240-M338 HydrophobicContact CG2-SD 3.96Å
241Y97.9Very high94Very high2 Ų243.6 Ų43.61%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-140.5162.6173.661.8-90000110.6I230 S233 S235 Y236 G239 V243 V255 K256 I337 M338I230-Y241 HydrophobicContact CG2-CE2 3.75Å; S233-Y241 PolarHBondContact OG-OH 3.21Å; S235-Y241 VanDerWaalsContact OG-CE1 3.23Å; S235-Y241 WeakPolarHBondContact OG-CE1 3.49Å; S235-Y241 PolarHBondContact OG-OH 2.91Å; Y236-Y241 HydrophobicContact CD2-CD2 4.25Å; Y236-Y241 AromaticContact CD2-CE2 3.91Å; Y236-Y241 HydrophobicContact CD2-CE2 3.91Å; G239-Y241 VanDerWaalsContact C-N 3.27Å; Y241-V243 HydrophobicContact CD2-CG2 3.97Å; Y241-V243 HydrophobicContact CE2-CG2 3.99Å; Y241-V255 HydrophobicContact CD2-CG1 4.21Å; Y241-V255 HydrophobicContact CG-CG1 4.49Å; Y241-K256 CarbonylContact C-O 3.59Å; Y241-K256 WeakPolarHBondContact CA-O 3.4Å; Y241-K256 WeakPolarHBondContact CB-O 3.33Å; Y241-I337 HydrophobicContact CD1-CG2 3.7Å; Y241-I337 HydrophobicContact CD2-CD1 4.21Å; Y241-I337 HydrophobicContact CD2-CG2 4.07Å; Y241-I337 HydrophobicContact CE1-CG2 4.08Å; Y241-I337 HydrophobicContact CE2-CD1 3.95Å; Y241-I337 HydrophobicContact CE2-CG2 4.41Å; Y241-I337 HydrophobicContact CG-CG2 3.71Å; Y241-M338 HydrophobicContact CD1-SD 4.15Å; Y241-M338 HydrophobicContact CE1-SD 4.02Å
242S97Very high94Very high20 Ų2045.9 Ų45.914%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-126.5153.6167.9630000110.4V255 K256 R258S242-V255 CarbonylContact O-C 3.51Å; S242-V255 VanDerWaalsContact O-CA 3.32Å; S242-V255 WeakPolarHBondContact O-CA 3.38Å; S242-K256 PolarHBondContact N-O 2.93Å; S242-K256 PolarHBondContact O-N 3.2Å; S242-R258 PolarHBondContact OG-NE 3.35Å
243V97.3Very high94.1Very high7 Ų742.4 Ų42.44%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-121.8131-178.3-176.70000108.9L227 I230 Y236 Y241 W253 H254 V255L227-V243 HydrophobicContact CD1-CG1 4Å; I230-V243 HydrophobicContact CG2-CG2 4.01Å; Y236-V243 HydrophobicContact CE2-CG2 4.42Å; Y241-V243 HydrophobicContact CD2-CG2 3.97Å; Y241-V243 HydrophobicContact CE2-CG2 3.99Å; V243-W253 HydrophobicContact CG1-CB 4.32Å; V243-W253 HydrophobicContact CG1-CD2 4.24Å; V243-W253 HydrophobicContact CG1-CE3 3.92Å; V243-W253 HydrophobicContact CG1-CG 4.44Å; V243-H254 CarbonylContact C-O 3.5Å; V243-H254 WeakPolarHBondContact CA-O 3.43Å; V243-V255 HydrophobicContact CG2-CG2 4.28Å
244E95.8Very high94.2Very high85 Ų8544.2 Ų44.240%0.39723%0.234SC..EExtended strand (participates in β ladder)trans-130.9131.1177.1-71.3168.9-158.700108.6H254 K256E244-H254 HydrophobicContact CB-CB 4.28Å; E244-H254 PolarHBondContact N-O 3.11Å; E244-H254 PolarHBondContact O-N 3.13Å; E244-K256 IonicContact OE1-NZ 3.95Å; E244-K256 PolarHBondContact OE1-NZ 3.12Å; E244-K256 WeakPolarHBondContact OE2-CE 3.3Å; E244-K256 IonicContact OE2-NZ 2.97Å; E244-K256 PolarHBondContact OE2-NZ 3.13Å
245L93.8Very high94.4Very high29 Ų2938 Ų3815%0.15221%0.205CC..EExtended strand (participates in β ladder)trans-80.8130.4176-59.5-172.9000110.1I200 L227 N247 W253I200-L245 HydrophobicContact CD1-CD1 3.32Å; I200-L245 HydrophobicContact CG1-CD1 3.78Å; L227-L245 HydrophobicContact CD2-CD1 4.32Å; L227-L245 HydrophobicContact CD2-CD2 4.42Å; L245-N247 PolarHBondContact O-N 2.82Å; L245-W253 HydrophobicContact CD2-CD2 4.18Å; L245-W253 HydrophobicContact CD2-CG 3.78Å; L245-W253 VanDerWaalsContact CD2-NE1 3.33Å
246V91.8Very high94.6Very high36 Ų3639.1 Ų39.122%0.21821%0.209CC..G310 helixtrans-80.2121.7179-175.40000108.4D248 S249 E252 H254V246-D248 PolarHBondContact O-N 3.1Å; V246-S249 WeakPolarHBondContact O-CB 3.3Å; V246-S249 PolarHBondContact O-N 3.11Å; V246-E252 HydrophobicContact CB-CB 3.94Å; V246-E252 HydrophobicContact CG2-CB 4.35Å; V246-E252 PolarHBondContact N-O 2.68Å; V246-H254 HydrophobicContact CG2-CB 4.25Å
247N86.9Confident94.7Very high133 Ų13337.5 Ų37.571%0.71120%0.202SC*.G310 helixtrans54.435.5-178.4-58.7-35.9000113.7L245 S249L245-N247 PolarHBondContact O-N 2.82Å; N247-S249 PolarHBondContact O-N 3.15Å
248D85.5Confident94.7Very high76 Ų7638.7 Ų38.741%0.40621%0.205SC..G310 helixtrans56.715.9-173.4-61.6-46.4000114.1K199 V246K199-D248 WeakPolarHBondContact CE-OD2 3.27Å; K199-D248 IonicContact NZ-OD1 3.84Å; K199-D248 PolarHBondContact NZ-OD1 2.94Å; K199-D248 IonicContact NZ-OD2 3.82Å; K199-D248 PolarHBondContact NZ-OD2 3.08Å; V246-D248 PolarHBondContact O-N 3.1Å
249S89Confident94.8Very high37 Ų3740.7 Ų40.726%0.25921%0.207SC..  trans-79.2127.2178.8179.90000111.1V246 N247 Y251V246-S249 WeakPolarHBondContact O-CB 3.3Å; V246-S249 PolarHBondContact O-N 3.11Å; N247-S249 PolarHBondContact O-N 3.15Å; S249-Y251 PolarHBondContact O-N 3.39Å; S249-Y251 PolarHBondContact OG-N 2.65Å; S249-Y251 VanDerWaalsContact OG-N 3.14Å
250L92.4Very high94.8Very high7 Ų740 Ų404%0.03720%0.198CC..THydrogen-bonded Turntrans-70.1-13.1172.2-169.562.7000112.5S220 L223 M224 L227 W253S220-L250 WeakPolarHBondContact O-CD2 3.17Å; L223-L250 HydrophobicContact CB-CD1 4.04Å; L223-L250 HydrophobicContact CB-CD2 3.78Å; L223-L250 HydrophobicContact CB-CG 3.67Å; L223-L250 HydrophobicContact CD1-CG 4.22Å; M224-L250 HydrophobicContact CG-CD2 3.68Å; M224-L250 HydrophobicContact SD-CD1 4.07Å; M224-L250 HydrophobicContact SD-CD2 4.05Å; L227-L250 HydrophobicContact CD2-CD1 4.35Å; L250-W253 HydrophobicContact CD1-CZ2 4.21Å; L250-W253 PolarHBondContact O-NE1 3.26Å
251Y94.9Very high94.7Very high17 Ų1741.9 Ų41.97%0.06721%0.208CC..THydrogen-bonded Turntrans-99.4-4.2-177.4-70.6-95.6000113.7S214 G215 S216 A219 S220 L223 S249 Y288S214-Y251 VanDerWaalsContact O-CE2 3.26Å; S214-Y251 WeakPolarHBondContact O-CE2 3.34Å; G215-Y251 WeakPolarHBondContact CA-OH 3.42Å; S216-Y251 PolarHBondContact N-OH 3.41Å; S216-Y251 PolarHBondContact O-OH 3.32Å; S216-Y251 VanDerWaalsContact O-OH 3.08Å; A219-Y251 HydrophobicContact CB-CE1 3.97Å; A219-Y251 WeakPolarHBondContact CB-OH 3.32Å; S220-Y251 PolarHBondContact N-OH 3.22Å; S220-Y251 PolarHBondContact OG-OH 3.06Å; L223-Y251 HydrophobicContact CD1-CD1 3.87Å; L223-Y251 HydrophobicContact CD1-CE1 3.78Å; L223-Y251 HydrophobicContact CD1-CE2 4.46Å; L223-Y251 HydrophobicContact CD1-CG 4.26Å; S249-Y251 PolarHBondContact O-N 3.39Å; S249-Y251 PolarHBondContact OG-N 2.65Å; S249-Y251 VanDerWaalsContact OG-N 3.14Å; Y251-Y288 WeakPolarHBondContact O-CD2 3.47Å; Y251-Y288 PolarHBondContact O-N 3.02Å
252E95.6Very high94.6Very high50 Ų5045.9 Ų45.923%0.23424%0.235CC..EExtended strand (participates in β ladder)trans-135.1110.3-179.7-74.2-64.2155.200111.1V246 N285 F286 S287V246-E252 HydrophobicContact CB-CB 3.94Å; V246-E252 HydrophobicContact CG2-CB 4.35Å; V246-E252 PolarHBondContact N-O 2.68Å; E252-N285 PolarHBondContact OE2-ND2 3.43Å; E252-F286 WeakPolarHBondContact CA-O 3.47Å; E252-S287 WeakPolarHBondContact OE1-CA 3.32Å; E252-S287 WeakPolarHBondContact OE1-CB 3.33Å; E252-S287 PolarHBondContact OE1-OG 2.9Å
253W97.7Very high94.5Very high0 Ų052.1 Ų52.10%027%0.266CS..EExtended strand (participates in β ladder)trans-115.5143-176.5-53.80.2000111.1L223 E226 L227 I230 V243 L245 L250 N285 F286 Y288 I333L223-W253 HydrophobicContact CB-CZ2 4.29Å; L223-W253 HydrophobicContact CD2-CH2 4.4Å; L223-W253 HydrophobicContact CD2-CZ2 3.91Å; E226-W253 HydrophobicContact CB-CH2 4.23Å; L227-W253 HydrophobicContact CB-CH2 3.95Å; L227-W253 HydrophobicContact CB-CZ2 4.2Å; L227-W253 HydrophobicContact CD1-CH2 4.2Å; L227-W253 HydrophobicContact CD1-CZ2 4.44Å; L227-W253 HydrophobicContact CD1-CZ3 4.32Å; I230-W253 HydrophobicContact CD1-CZ3 3.75Å; V243-W253 HydrophobicContact CG1-CB 4.32Å; V243-W253 HydrophobicContact CG1-CD2 4.24Å; V243-W253 HydrophobicContact CG1-CE3 3.92Å; V243-W253 HydrophobicContact CG1-CG 4.44Å; L245-W253 HydrophobicContact CD2-CD2 4.18Å; L245-W253 HydrophobicContact CD2-CG 3.78Å; L245-W253 VanDerWaalsContact CD2-NE1 3.33Å; L250-W253 HydrophobicContact CD1-CZ2 4.21Å; L250-W253 PolarHBondContact O-NE1 3.26Å; W253-N285 WeakPolarHBondContact O-CA 3.28Å; W253-N285 PolarHBondContact O-ND2 2.84Å; W253-F286 HydrophobicContact CB-CB 4.23Å; W253-F286 PolarHBondContact N-O 3.39Å; W253-F286 PolarHBondContact O-N 2.75Å; W253-Y288 HydrophobicContact CB-CE2 4.43Å; W253-Y288 AromaticContact CD1-CE2 3.97Å; W253-Y288 AromaticContact CD2-CE2 3.59Å; W253-Y288 HydrophobicContact CD2-CE2 3.59Å; W253-Y288 AromaticContact CE2-CE2 3.72Å; W253-Y288 HydrophobicContact CE3-CE2 4.05Å; W253-Y288 AromaticContact CG-CE2 3.77Å; W253-Y288 HydrophobicContact CG-CE2 3.77Å; W253-Y288 HydrophobicContact CZ2-CE2 4.3Å; W253-Y288 AromaticContact NE1-CE2 3.89Å; W253-I333 HydrophobicContact CE3-CG2 4.42Å; W253-I333 HydrophobicContact CZ3-CG2 3.88Å
254H98.1Very high94.4Very high48 Ų4852.2 Ų52.222%0.22227%0.267CS..EExtended strand (participates in β ladder)trans-103.2111.8166-83.5-7.2000109.4V243 E244 V246 L283 L284V243-H254 CarbonylContact C-O 3.5Å; V243-H254 WeakPolarHBondContact CA-O 3.43Å; E244-H254 HydrophobicContact CB-CB 4.28Å; E244-H254 PolarHBondContact N-O 3.11Å; E244-H254 PolarHBondContact O-N 3.13Å; V246-H254 HydrophobicContact CG2-CB 4.25Å; H254-L283 HydrophobicContact CB-CD1 3.85Å; H254-L284 WeakPolarHBondContact CA-O 3.44Å
255V98.4Very high94.5Very high0 Ų051.6 Ų51.60%027%0.271CS..EExtended strand (participates in β ladder)trans-105.9114.9177.6-177.30000108.5Y241 S242 V243 L257 L284 F286 I337Y241-V255 HydrophobicContact CD2-CG1 4.21Å; Y241-V255 HydrophobicContact CG-CG1 4.49Å; S242-V255 CarbonylContact O-C 3.51Å; S242-V255 VanDerWaalsContact O-CA 3.32Å; S242-V255 WeakPolarHBondContact O-CA 3.38Å; V243-V255 HydrophobicContact CG2-CG2 4.28Å; V255-L257 HydrophobicContact CG1-CD2 4.34Å; V255-L284 HydrophobicContact CB-CB 4.31Å; V255-L284 PolarHBondContact N-O 3.32Å; V255-L284 PolarHBondContact O-N 3.02Å; V255-F286 HydrophobicContact CB-CD2 4.12Å; V255-F286 HydrophobicContact CB-CE2 3.91Å; V255-F286 HydrophobicContact CG2-CD2 3.59Å; V255-F286 HydrophobicContact CG2-CE2 3.68Å; V255-F286 HydrophobicContact CG2-CG 4.34Å; V255-F286 HydrophobicContact CG2-CZ 4.47Å; V255-I337 HydrophobicContact CG1-CD1 3.95Å; V255-I337 HydrophobicContact CG1-CG1 4.11Å; V255-I337 HydrophobicContact CG1-CG2 3.92Å; V255-I337 HydrophobicContact CG2-CD1 4.11Å
256K98.3Very high94.6Very high33 Ų3350.3 Ų50.314%0.14326%0.264CS..EExtended strand (participates in β ladder)trans-97.3110.4178-63.1173.8-174.5163.60108.9Y241 S242 E244 R258 F281 I282 L283Y241-K256 CarbonylContact C-O 3.59Å; Y241-K256 WeakPolarHBondContact CA-O 3.4Å; Y241-K256 WeakPolarHBondContact CB-O 3.33Å; S242-K256 PolarHBondContact N-O 2.93Å; S242-K256 PolarHBondContact O-N 3.2Å; E244-K256 IonicContact OE1-NZ 3.95Å; E244-K256 PolarHBondContact OE1-NZ 3.12Å; E244-K256 WeakPolarHBondContact OE2-CE 3.3Å; E244-K256 IonicContact OE2-NZ 2.97Å; E244-K256 PolarHBondContact OE2-NZ 3.13Å; K256-R258 PolarHBondContact O-N 3.49Å; K256-F281 HydrophobicContact CB-CB 4.17Å; K256-F281 HydrophobicContact CB-CD2 3.82Å; K256-F281 HydrophobicContact CB-CE2 4.46Å; K256-F281 HydrophobicContact CB-CG 4.04Å; K256-F281 HydrophobicContact CD-CD2 4.01Å; K256-F281 HydrophobicContact CD-CE1 4.34Å; K256-F281 HydrophobicContact CD-CE2 3.82Å; K256-F281 HydrophobicContact CD-CG 4.36Å; K256-F281 HydrophobicContact CD-CZ 4Å; K256-F281 HydrophobicContact CG-CD2 3.67Å; K256-F281 HydrophobicContact CG-CE2 3.81Å; K256-F281 HydrophobicContact CG-CG 4.25Å; K256-F281 HydrophobicContact CG-CZ 4.49Å; K256-I282 CarbonylContact C-O 3.56Å; K256-I282 WeakPolarHBondContact CA-O 3.34Å; K256-L283 HydrophobicContact CG-CD1 3.74Å
257L98Very high94.9Very high0 Ų051.1 Ų51.10%027%0.265CS..EExtended strand (participates in β ladder)trans-78.6110171.5-57.2-176.4000109.1V255 F281 I282 L284 I337 N341 L344V255-L257 HydrophobicContact CG1-CD2 4.34Å; L257-F281 CarbonylContact O-C 3.56Å; L257-F281 WeakPolarHBondContact O-CA 3.44Å; L257-F281 VanDerWaalsContact O-CB 3.26Å; L257-F281 WeakPolarHBondContact O-CB 3.49Å; L257-I282 HydrophobicContact CB-CB 4.22Å; L257-I282 PolarHBondContact N-O 2.97Å; L257-I282 PolarHBondContact O-N 3.46Å; L257-L284 HydrophobicContact CD1-CD1 3.83Å; L257-L284 HydrophobicContact CD1-CG 4.41Å; L257-L284 HydrophobicContact CD2-CD1 4.31Å; L257-L284 HydrophobicContact CG-CD1 3.96Å; L257-L284 HydrophobicContact CG-CG 4.39Å; L257-I337 HydrophobicContact CD2-CG2 3.78Å; L257-N341 HydrophobicContact CD1-CB 4.13Å; L257-N341 HydrophobicContact CD2-CB 4.4Å; L257-L344 HydrophobicContact CD1-CD1 3.89Å
258R95.8Very high95.3Very high100 Ų10048.2 Ų48.238%0.37726%0.255SS..  trans-99.8-30.6-175.3-66178.8176.5-83.75.6112.8I240 S242 K256 D280 F281I240-R258 PolarHBondContact O-N 3.03Å; S242-R258 PolarHBondContact OG-NE 3.35Å; K256-R258 PolarHBondContact O-N 3.49Å; R258-D280 IonicContact NH1-OD1 2.96Å; R258-F281 HydrophobicContact CG-CB 4.12Å
259K94.9Very high95.9Very high114 Ų11445.1 Ų45.150%0.49624%0.239SC..  trans-120.8120.9177.7-57.6178.6178.7175.40109.7T238 I240 N341T238-K259 PolarHBondContact O-NZ 3.31Å; I240-K259 HydrophobicContact CG2-CB 4.48Å; I240-K259 PolarHBondContact O-N 2.93Å; K259-N341 PolarHBondContact O-ND2 3.47Å
260V95.7Very high96.2Very high10 Ų1043.5 Ų43.56%0.06123%0.227CC..  trans-111.9170.6167.2-52.80000108.2P262 L266 H267 L270 N341 V345V260-P262 VanDerWaalsContact O-N 3.16Å; V260-L266 HydrophobicContact CB-CD2 4.37Å; V260-L266 HydrophobicContact CG1-CD2 4.07Å; V260-L266 HydrophobicContact CG2-CB 4.44Å; V260-L266 HydrophobicContact CG2-CD2 4.37Å; V260-L266 HydrophobicContact CG2-CG 4.25Å; V260-H267 HydrophobicContact CG2-CB 3.77Å; V260-L270 HydrophobicContact CG1-CD1 3.98Å; V260-L270 HydrophobicContact CG2-CD1 4.04Å; V260-N341 WeakPolarHBondContact CG1-OD1 3.3Å; V260-V345 HydrophobicContact CB-CG2 4.23Å
261D94.6Very high96.4Very high76 Ų7647 Ų4741%0.40624%0.243SC..  trans-50.8119178-174.1-21.4000111.1D263 S264 H267 V345D261-D263 PolarHBondContact O-N 2.66Å; D261-D263 PolarHBondContact OD1-N 3.17Å; D261-S264 VanDerWaalsContact O-CB 3.3Å; D261-S264 WeakPolarHBondContact O-CB 3.49Å; D261-S264 PolarHBondContact O-N 3.48Å; D261-S264 PolarHBondContact O-OG 3.31Å; D261-H267 WeakPolarHBondContact O-CB 3.33Å; D261-V345 HydrophobicContact CB-CG1 3.91Å; D261-V345 HydrophobicContact CB-CG2 3.99Å
262P94.9Very high96.4Very high86 Ų8648.5 Ų48.556%0.55825%0.254SS*.THydrogen-bonded Turntrans-61.9-24.4-176.226.8-35.9000113.7V260 S264V260-P262 VanDerWaalsContact O-N 3.16Å; P262-S264 VanDerWaalsContact C-N 3.27Å
263D95.1Very high96.3Very high151 Ų15146.4 Ų46.481%0.80724%0.244SC*.THydrogen-bonded Turntrans-83.5-6.9179.2-64.6-31.8000112.1D261D261-D263 PolarHBondContact O-N 2.66Å; D261-D263 PolarHBondContact OD1-N 3.17Å
264S96Very high96.1Very high8 Ų851 Ų516%0.05627%0.265CS..SBendtrans-80145.6-179.474.30000112.8D261 P262 L266 H267D261-S264 VanDerWaalsContact O-CB 3.3Å; D261-S264 WeakPolarHBondContact O-CB 3.49Å; D261-S264 PolarHBondContact O-N 3.48Å; D261-S264 PolarHBondContact O-OG 3.31Å; P262-S264 VanDerWaalsContact C-N 3.27Å; S264-L266 PolarHBondContact O-N 3.17Å; S264-H267 WeakPolarHBondContact O-CB 3.43Å; S264-H267 PolarHBondContact O-N 3.45Å; S264-H267 VanDerWaalsContact O-N 3.08Å; S264-H267 PolarHBondContact OG-N 2.97Å
265P96.4Very high95.9Very high73 Ų7356.5 Ų56.547%0.47429%0.29SS..Hα-helixtrans-58.1-29169.3-2635.3000113.2H267 S268 D269P265-H267 VanDerWaalsContact C-N 3.31Å; P265-H267 PolarHBondContact O-N 3.49Å; P265-S268 PolarHBondContact O-N 3.31Å; P265-D269 PolarHBondContact O-N 2.81Å
266L97.1Very high95.6Very high2 Ų263.2 Ų63.21%0.0132%0.319CS..Hα-helixtrans-61.1-39.2175.8-175.962.2000111.7V260 S264 S268 D269 L270 I282 L306 L344 V345 A349 V351V260-L266 HydrophobicContact CB-CD2 4.37Å; V260-L266 HydrophobicContact CG1-CD2 4.07Å; V260-L266 HydrophobicContact CG2-CB 4.44Å; V260-L266 HydrophobicContact CG2-CD2 4.37Å; V260-L266 HydrophobicContact CG2-CG 4.25Å; S264-L266 PolarHBondContact O-N 3.17Å; L266-S268 VanDerWaalsContact C-N 3.35Å; L266-S268 PolarHBondContact O-N 3.14Å; L266-D269 PolarHBondContact O-N 2.79Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.15Å; L266-I282 HydrophobicContact CD1-CD1 4.25Å; L266-I282 HydrophobicContact CD2-CD1 3.96Å; L266-I282 HydrophobicContact CG-CD1 4.41Å; L266-L306 HydrophobicContact CD1-CD2 4.17Å; L266-L344 HydrophobicContact CD2-CB 4.19Å; L266-V345 HydrophobicContact CD2-CG2 4.42Å; L266-A349 WeakPolarHBondContact CB-O 3.42Å; L266-A349 HydrophobicContact CD1-CB 4.21Å; L266-A349 HydrophobicContact CD2-CB 4.13Å; L266-V351 HydrophobicContact CD1-CG2 4.3Å
267H97Very high95.1Very high53 Ų5366 Ų6625%0.24533%0.333CS..Hα-helixtrans-58.9-48176.1-178.288.1000111.5V260 D261 S264 P265 D269 L270 Q271V260-H267 HydrophobicContact CG2-CB 3.77Å; D261-H267 WeakPolarHBondContact O-CB 3.33Å; S264-H267 WeakPolarHBondContact O-CB 3.43Å; S264-H267 PolarHBondContact O-N 3.45Å; S264-H267 VanDerWaalsContact O-N 3.08Å; S264-H267 PolarHBondContact OG-N 2.97Å; P265-H267 VanDerWaalsContact C-N 3.31Å; P265-H267 PolarHBondContact O-N 3.49Å; H267-D269 VanDerWaalsContact C-N 3.32Å; H267-D269 PolarHBondContact O-N 2.85Å; H267-L270 PolarHBondContact O-N 3Å; H267-Q271 PolarHBondContact NE2-NE2 2.83Å; H267-Q271 PolarHBondContact O-N 2.87Å
268S96.7Very high94.7Very high71 Ų7168.9 Ų68.950%0.49736%0.363SS..Hα-helixtrans-61.7-41.9178.1-64.50000111.5P265 L266 L270 Q271 V272P265-S268 PolarHBondContact O-N 3.31Å; L266-S268 VanDerWaalsContact C-N 3.35Å; L266-S268 PolarHBondContact O-N 3.14Å; S268-L270 VanDerWaalsContact C-N 3.32Å; S268-L270 PolarHBondContact O-N 3.04Å; S268-Q271 PolarHBondContact O-N 2.88Å; S268-V272 PolarHBondContact O-N 3.47Å; S268-V272 VanDerWaalsContact O-N 3.13Å
269D96.5Very high94.4Very high11 Ų1166 Ų666%0.05936%0.357CS..Hα-helixtrans-61-39.5176.3-70.9-9.1000112.1P265 L266 H267 V272 L273 R350 V351 F353P265-D269 PolarHBondContact O-N 2.81Å; L266-D269 PolarHBondContact O-N 2.79Å; H267-D269 VanDerWaalsContact C-N 3.32Å; H267-D269 PolarHBondContact O-N 2.85Å; D269-V272 PolarHBondContact O-N 2.94Å; D269-L273 PolarHBondContact O-N 3.23Å; D269-R350 IonicContact OD1-CZ 3.63Å; D269-R350 IonicContact OD1-NE 3.58Å; D269-R350 IonicContact OD1-NH2 2.8Å; D269-R350 PolarHBondContact OD1-NH2 3.06Å; D269-R350 WeakPolarHBondContact OD2-CA 3.46Å; D269-R350 IonicContact OD2-CZ 3.5Å; D269-R350 IonicContact OD2-NE 2.76Å; D269-R350 PolarHBondContact OD2-NE 3.23Å; D269-R350 IonicContact OD2-NH2 3.4Å; D269-R350 PolarHBondContact OD2-NH2 3.37Å; D269-V351 HydrophobicContact CB-CB 3.89Å; D269-V351 HydrophobicContact CB-CG2 3.66Å; D269-V351 PolarHBondContact OD2-N 3.21Å; D269-F353 HydrophobicContact CB-CE2 4.3Å; D269-F353 HydrophobicContact CB-CZ 4.14Å; D269-F353 WeakPolarHBondContact O-CZ 3.26Å
270L95.9Very high94.3Very high4 Ų462.5 Ų62.52%0.02134%0.343CS..Hα-helixtrans-67-33.4176.9-68.6178.2000112.7V260 L266 H267 S268 L273 K274 I282 V351V260-L270 HydrophobicContact CG1-CD1 3.98Å; V260-L270 HydrophobicContact CG2-CD1 4.04Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.15Å; H267-L270 PolarHBondContact O-N 3Å; S268-L270 VanDerWaalsContact C-N 3.32Å; S268-L270 PolarHBondContact O-N 3.04Å; L270-L273 HydrophobicContact CD2-CD2 4.32Å; L270-L273 PolarHBondContact O-N 3.03Å; L270-K274 PolarHBondContact O-N 2.74Å; L270-I282 HydrophobicContact CD1-CD1 4.43Å; L270-I282 HydrophobicContact CD1-CG1 4.33Å; L270-I282 HydrophobicContact CD2-CG1 3.95Å; L270-V351 HydrophobicContact CD2-CG2 4.3Å
271Q96.1Very high94.3Very high79 Ų7963.8 Ų63.837%0.36935%0.348SS..Hα-helixtrans-65.3-41.9172.1-58.5-54.1-2900111.4H267 S268 L273 K274 E275H267-Q271 PolarHBondContact NE2-NE2 2.83Å; H267-Q271 PolarHBondContact O-N 2.87Å; S268-Q271 PolarHBondContact O-N 2.88Å; Q271-L273 VanDerWaalsContact C-N 3.31Å; Q271-L273 PolarHBondContact O-N 2.67Å; Q271-K274 VanDerWaalsContact O-CB 3.27Å; Q271-K274 WeakPolarHBondContact O-CB 3.32Å; Q271-K274 PolarHBondContact O-N 3.14Å; Q271-E275 WeakPolarHBondContact O-CG 3.45Å; Q271-E275 PolarHBondContact O-N 2.92Å
272V95.4Very high94.5Very high50 Ų5060.1 Ų60.130%0.30333%0.329SS..Hα-helixtrans-64.3-38.5175.1175.50000111.2S268 D269 K274 E275 K276 F353S268-V272 PolarHBondContact O-N 3.47Å; S268-V272 VanDerWaalsContact O-N 3.13Å; D269-V272 PolarHBondContact O-N 2.94Å; V272-K274 VanDerWaalsContact C-N 3.31Å; V272-K274 PolarHBondContact O-N 3.34Å; V272-E275 PolarHBondContact O-N 2.89Å; V272-K276 HydrophobicContact CG1-CD 4.02Å; V272-K276 HydrophobicContact CG1-CG 4.44Å; V272-K276 WeakPolarHBondContact O-CB 3.35Å; V272-K276 WeakPolarHBondContact O-CG 3.29Å; V272-K276 PolarHBondContact O-N 3.25Å; V272-F353 HydrophobicContact CB-CE1 4.31Å; V272-F353 HydrophobicContact CB-CZ 3.93Å; V272-F353 HydrophobicContact CG1-CE1 3.87Å; V272-F353 HydrophobicContact CG1-CZ 3.79Å
273L93.8Very high94.6Very high5 Ų557 Ų573%0.02631%0.307CS..Hα-helixtrans-63.5-38.6175.5-169.268.8000111.5D269 L270 Q271 K276 E277 G278 V279 P304 V351 F353D269-L273 PolarHBondContact O-N 3.23Å; L270-L273 HydrophobicContact CD2-CD2 4.32Å; L270-L273 PolarHBondContact O-N 3.03Å; Q271-L273 VanDerWaalsContact C-N 3.31Å; Q271-L273 PolarHBondContact O-N 2.67Å; L273-K276 PolarHBondContact O-N 3.48Å; L273-E277 HydrophobicContact CD1-CB 4.38Å; L273-E277 HydrophobicContact CD1-CG 4.22Å; L273-E277 PolarHBondContact O-N 3.17Å; L273-G278 PolarHBondContact O-N 2.72Å; L273-V279 CarbonylContact C-O 3.57Å; L273-V279 WeakPolarHBondContact CB-O 3.35Å; L273-V279 HydrophobicContact CD2-CB 4.35Å; L273-V279 HydrophobicContact CD2-CG1 4.21Å; L273-V279 HydrophobicContact CG-CB 4.39Å; L273-V279 VanDerWaalsContact CG-O 3.25Å; L273-V279 WeakPolarHBondContact CG-O 3.47Å; L273-P304 HydrophobicContact CD2-CB 3.95Å; L273-P304 HydrophobicContact CD2-CG 3.85Å; L273-V351 HydrophobicContact CD1-CG1 4.45Å; L273-F353 HydrophobicContact CB-CE1 4.27Å; L273-F353 HydrophobicContact CD1-CE1 4.21Å
274K94.3Very high94.8Very high98 Ų9849.8 Ų49.843%0.42627%0.269SS..Hα-helixtrans-59.8-46.8174.1-170.1178.3-173144.10111.6L270 Q271 V272 G278 V279 D280L270-K274 PolarHBondContact O-N 2.74Å; Q271-K274 VanDerWaalsContact O-CB 3.27Å; Q271-K274 WeakPolarHBondContact O-CB 3.32Å; Q271-K274 PolarHBondContact O-N 3.14Å; V272-K274 VanDerWaalsContact C-N 3.31Å; V272-K274 PolarHBondContact O-N 3.34Å; K274-G278 WeakPolarHBondContact O-CA 3.47Å; K274-G278 PolarHBondContact O-N 3.02Å; K274-V279 WeakPolarHBondContact CA-O 3.46Å; K274-V279 PolarHBondContact N-O 3.29Å; K274-D280 HydrophobicContact CB-CB 3.8Å; K274-D280 HydrophobicContact CD-CB 3.76Å; K274-D280 WeakPolarHBondContact CE-OD2 3.36Å; K274-D280 HydrophobicContact CG-CB 3.82Å; K274-D280 IonicContact NZ-OD2 3.54Å; K274-D280 PolarHBondContact NZ-OD2 3.15Å
275E94.1Very high94.9Very high163 Ų16349.7 Ų49.776%0.76227%0.267SS*.Hα-helixtrans-65.9-37.1179.9-70.5175.8-179.400112.6Q271 V272Q271-E275 WeakPolarHBondContact O-CG 3.45Å; Q271-E275 PolarHBondContact O-N 2.92Å; V272-E275 PolarHBondContact O-N 2.89Å
276K90.7Very high95Very high140 Ų14046.2 Ų46.261%0.60925%0.245SC*.Hα-helixtrans-85.5-42.9-175.7-72.7-176.6177.5178.30114.4V272 L273V272-K276 HydrophobicContact CG1-CD 4.02Å; V272-K276 HydrophobicContact CG1-CG 4.44Å; V272-K276 WeakPolarHBondContact O-CB 3.35Å; V272-K276 WeakPolarHBondContact O-CG 3.29Å; V272-K276 PolarHBondContact O-N 3.25Å; L273-K276 PolarHBondContact O-N 3.48Å
277E88.6Confident95Very high91 Ų9147.1 Ų47.143%0.42525%0.251SS..Hα-helixtrans-121.6-4-169-60.6-168.3-155.600113L273 V279 K357L273-E277 HydrophobicContact CD1-CB 4.38Å; L273-E277 HydrophobicContact CD1-CG 4.22Å; L273-E277 PolarHBondContact O-N 3.17Å; E277-V279 PolarHBondContact O-N 2.86Å; E277-K357 WeakPolarHBondContact OE2-CE 3.42Å; E277-K357 IonicContact OE2-NZ 2.7Å; E277-K357 PolarHBondContact OE2-NZ 3.08Å
278G88.8Confident94.9Very high62 Ų6245 Ų4564%0.63924%0.241SC*.SBendtrans73.512-17600000113.9L273 K274L273-G278 PolarHBondContact O-N 2.72Å; K274-G278 WeakPolarHBondContact O-CA 3.47Å; K274-G278 PolarHBondContact O-N 3.02Å
279V89.5Confident94.8Very high40 Ų4048.5 Ų48.524%0.24225%0.247CC..  trans-114.1123.2-177.5179.20000109.8L273 K274 E277 F281L273-V279 CarbonylContact C-O 3.57Å; L273-V279 WeakPolarHBondContact CB-O 3.35Å; L273-V279 HydrophobicContact CD2-CB 4.35Å; L273-V279 HydrophobicContact CD2-CG1 4.21Å; L273-V279 HydrophobicContact CG-CB 4.39Å; L273-V279 VanDerWaalsContact CG-O 3.25Å; L273-V279 WeakPolarHBondContact CG-O 3.47Å; K274-V279 WeakPolarHBondContact CA-O 3.46Å; K274-V279 PolarHBondContact N-O 3.29Å; E277-V279 PolarHBondContact O-N 2.86Å; V279-F281 HydrophobicContact CG1-CD1 4.06Å; V279-F281 HydrophobicContact CG1-CD2 4.39Å; V279-F281 HydrophobicContact CG1-CE1 3.88Å; V279-F281 HydrophobicContact CG1-CE2 4.23Å; V279-F281 HydrophobicContact CG1-CG 4.31Å; V279-F281 HydrophobicContact CG1-CZ 3.97Å
280D92.6Very high94.5Very high40 Ų4052.6 Ų52.621%0.21427%0.269CS..  trans-120.822.6-177.366.4-8.9000113.6R258 K274R258-D280 IonicContact NH1-OD1 2.96Å; K274-D280 HydrophobicContact CB-CB 3.8Å; K274-D280 HydrophobicContact CD-CB 3.76Å; K274-D280 WeakPolarHBondContact CE-OD2 3.36Å; K274-D280 HydrophobicContact CG-CB 3.82Å; K274-D280 IonicContact NZ-OD2 3.54Å; K274-D280 PolarHBondContact NZ-OD2 3.15Å
281F96.8Very high94.4Very high36 Ų3656 Ų5616%0.15829%0.288CS..SBendtrans-137.3157.2-176.359.8-94.6000112.8K256 L257 R258 V279 L283K256-F281 HydrophobicContact CB-CB 4.17Å; K256-F281 HydrophobicContact CB-CD2 3.82Å; K256-F281 HydrophobicContact CB-CE2 4.46Å; K256-F281 HydrophobicContact CB-CG 4.04Å; K256-F281 HydrophobicContact CD-CD2 4.01Å; K256-F281 HydrophobicContact CD-CE1 4.34Å; K256-F281 HydrophobicContact CD-CE2 3.82Å; K256-F281 HydrophobicContact CD-CG 4.36Å; K256-F281 HydrophobicContact CD-CZ 4Å; K256-F281 HydrophobicContact CG-CD2 3.67Å; K256-F281 HydrophobicContact CG-CE2 3.81Å; K256-F281 HydrophobicContact CG-CG 4.25Å; K256-F281 HydrophobicContact CG-CZ 4.49Å; L257-F281 CarbonylContact O-C 3.56Å; L257-F281 WeakPolarHBondContact O-CA 3.44Å; L257-F281 VanDerWaalsContact O-CB 3.26Å; L257-F281 WeakPolarHBondContact O-CB 3.49Å; R258-F281 HydrophobicContact CG-CB 4.12Å; V279-F281 HydrophobicContact CG1-CD1 4.06Å; V279-F281 HydrophobicContact CG1-CD2 4.39Å; V279-F281 HydrophobicContact CG1-CE1 3.88Å; V279-F281 HydrophobicContact CG1-CE2 4.23Å; V279-F281 HydrophobicContact CG1-CG 4.31Å; V279-F281 HydrophobicContact CG1-CZ 3.97Å; F281-L283 HydrophobicContact CD2-CB 4.22Å; F281-L283 HydrophobicContact CE2-CB 4.06Å
282I97.9Very high94.3Very high0 Ų052.4 Ų52.40%027%0.271CS..EExtended strand (participates in β ladder)trans-97.1118.4167.2-54.6170.2000107.4K256 L257 L266 L270 L284 V301 S303 L306 L344K256-I282 CarbonylContact C-O 3.56Å; K256-I282 WeakPolarHBondContact CA-O 3.34Å; L257-I282 HydrophobicContact CB-CB 4.22Å; L257-I282 PolarHBondContact N-O 2.97Å; L257-I282 PolarHBondContact O-N 3.46Å; L266-I282 HydrophobicContact CD1-CD1 4.25Å; L266-I282 HydrophobicContact CD2-CD1 3.96Å; L266-I282 HydrophobicContact CG-CD1 4.41Å; L270-I282 HydrophobicContact CD1-CD1 4.43Å; L270-I282 HydrophobicContact CD1-CG1 4.33Å; L270-I282 HydrophobicContact CD2-CG1 3.95Å; I282-L284 HydrophobicContact CG2-CD2 4.15Å; I282-V301 HydrophobicContact CG2-CG1 4.03Å; I282-S303 CarbonylContact C-O 3.52Å; I282-S303 WeakPolarHBondContact CA-O 3.39Å; I282-L306 HydrophobicContact CD1-CD1 4.21Å; I282-L306 HydrophobicContact CG2-CD1 4.16Å; I282-L344 HydrophobicContact CD1-CD1 4.04Å
283L97.9Very high94.3Very high20 Ų2050.7 Ų50.711%0.10526%0.261CS..EExtended strand (participates in β ladder)trans-87.2118.4176.9-177.761.7000109.8H254 K256 F281 V302 S303H254-L283 HydrophobicContact CB-CD1 3.85Å; K256-L283 HydrophobicContact CG-CD1 3.74Å; F281-L283 HydrophobicContact CD2-CB 4.22Å; F281-L283 HydrophobicContact CE2-CB 4.06Å; L283-V302 HydrophobicContact CB-CB 4.18Å; L283-V302 HydrophobicContact CD2-CB 3.81Å; L283-V302 HydrophobicContact CD2-CG1 3.81Å; L283-V302 HydrophobicContact CD2-CG2 4.27Å; L283-V302 HydrophobicContact CG-CB 3.84Å; L283-V302 HydrophobicContact CG-CG1 4.4Å; L283-V302 HydrophobicContact CG-CG2 4.07Å; L283-V302 PolarHBondContact O-N 3.41Å; L283-S303 PolarHBondContact N-O 3.34Å; L283-S303 PolarHBondContact O-N 2.94Å
284L98.4Very high94.3Very high0 Ų056.5 Ų56.50%029%0.286CS..EExtended strand (participates in β ladder)trans-104.7143.9170.6-54.2178.1000109.4H254 V255 L257 I282 F286 V299 R300 V301 I340H254-L284 WeakPolarHBondContact CA-O 3.44Å; V255-L284 HydrophobicContact CB-CB 4.31Å; V255-L284 PolarHBondContact N-O 3.32Å; V255-L284 PolarHBondContact O-N 3.02Å; L257-L284 HydrophobicContact CD1-CD1 3.83Å; L257-L284 HydrophobicContact CD1-CG 4.41Å; L257-L284 HydrophobicContact CD2-CD1 4.31Å; L257-L284 HydrophobicContact CG-CD1 3.96Å; L257-L284 HydrophobicContact CG-CG 4.39Å; I282-L284 HydrophobicContact CG2-CD2 4.15Å; L284-F286 HydrophobicContact CB-CD2 4.21Å; L284-F286 HydrophobicContact CB-CE2 3.85Å; L284-F286 HydrophobicContact CD1-CE2 4.02Å; L284-V299 HydrophobicContact CB-CG1 4.47Å; L284-R300 CarbonylContact C-O 3.53Å; L284-R300 VanDerWaalsContact CA-O 3.31Å; L284-R300 WeakPolarHBondContact CA-O 3.24Å; L284-V301 HydrophobicContact CD2-CB 4.38Å; L284-V301 HydrophobicContact CD2-CG2 3.85Å; L284-I340 HydrophobicContact CD1-CG2 3.77Å
285N98.3Very high94.3Very high5 Ų554 Ų543%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-111126168.5165.8-126.6000108.7E252 W253 V299 R300 V302E252-N285 PolarHBondContact OE2-ND2 3.43Å; W253-N285 WeakPolarHBondContact O-CA 3.28Å; W253-N285 PolarHBondContact O-ND2 2.84Å; N285-V299 WeakPolarHBondContact O-CA 3.3Å; N285-R300 HydrophobicContact CB-CG 4.07Å; N285-R300 PolarHBondContact N-O 3.45Å; N285-R300 PolarHBondContact O-N 3.1Å; N285-R300 PolarHBondContact OD1-NE 3.5Å; N285-R300 PolarHBondContact OD1-NH2 3.23Å; N285-V302 HydrophobicContact CB-CG2 3.57Å
286F98.2Very high94.3Very high0 Ų047.2 Ų47.20%025%0.247CC..EExtended strand (participates in β ladder)trans-107.5120.2174.2-76.1-118.8000107.8E252 W253 V255 L284 Y288 P297 V299 I333 V336 I337 I340E252-F286 WeakPolarHBondContact CA-O 3.47Å; W253-F286 HydrophobicContact CB-CB 4.23Å; W253-F286 PolarHBondContact N-O 3.39Å; W253-F286 PolarHBondContact O-N 2.75Å; V255-F286 HydrophobicContact CB-CD2 4.12Å; V255-F286 HydrophobicContact CB-CE2 3.91Å; V255-F286 HydrophobicContact CG2-CD2 3.59Å; V255-F286 HydrophobicContact CG2-CE2 3.68Å; V255-F286 HydrophobicContact CG2-CG 4.34Å; V255-F286 HydrophobicContact CG2-CZ 4.47Å; L284-F286 HydrophobicContact CB-CD2 4.21Å; L284-F286 HydrophobicContact CB-CE2 3.85Å; L284-F286 HydrophobicContact CD1-CE2 4.02Å; F286-Y288 HydrophobicContact CB-CE2 3.76Å; F286-Y288 WeakPolarHBondContact CD1-OH 3.35Å; F286-P297 HydrophobicContact CD1-CB 4.3Å; F286-P297 HydrophobicContact CD1-CG 4.36Å; F286-V299 HydrophobicContact CD1-CG1 4.49Å; F286-V299 HydrophobicContact CD1-CG2 3.57Å; F286-V299 HydrophobicContact CD2-CG1 3.84Å; F286-V299 HydrophobicContact CD2-CG2 4.35Å; F286-V299 HydrophobicContact CE1-CG1 4.27Å; F286-V299 HydrophobicContact CE1-CG2 3.6Å; F286-V299 HydrophobicContact CE2-CG1 3.58Å; F286-V299 HydrophobicContact CE2-CG2 4.36Å; F286-V299 HydrophobicContact CG-CG1 4.28Å; F286-V299 HydrophobicContact CG-CG2 3.97Å; F286-V299 HydrophobicContact CZ-CG1 3.81Å; F286-V299 HydrophobicContact CZ-CG2 4Å; F286-I333 HydrophobicContact CE1-CG2 4.34Å; F286-V336 HydrophobicContact CE1-CG1 4.06Å; F286-I337 HydrophobicContact CE1-CG1 4.15Å; F286-I337 HydrophobicContact CE2-CG1 4.31Å; F286-I337 HydrophobicContact CZ-CG1 3.64Å; F286-I340 HydrophobicContact CE1-CD1 4.45Å; F286-I340 HydrophobicContact CZ-CD1 3.77Å
287S96.9Very high94.6Very high22 Ų2240.6 Ų40.615%0.15422%0.219CC..EExtended strand (participates in β ladder)trans-113.2122.5177.2178.50000109E252 P297 F298E252-S287 WeakPolarHBondContact OE1-CA 3.32Å; E252-S287 WeakPolarHBondContact OE1-CB 3.33Å; E252-S287 PolarHBondContact OE1-OG 2.9Å; S287-P297 WeakPolarHBondContact O-CA 3.28Å; S287-F298 PolarHBondContact N-O 3.23Å; S287-F298 PolarHBondContact O-N 3.02Å
288Y96.3Very high95Very high9 Ų937.6 Ų37.64%0.03521%0.205CC..  trans-106.2146-178.7-57.3-88.6000109.8L223 Y251 W253 F286 F292 P297 I333L223-Y288 HydrophobicContact CD1-CG 4.33Å; L223-Y288 HydrophobicContact CD2-CD1 3.45Å; L223-Y288 VanDerWaalsContact CD2-CD1 3.45Å; L223-Y288 HydrophobicContact CD2-CD2 3.86Å; L223-Y288 HydrophobicContact CD2-CE1 3.63Å; L223-Y288 HydrophobicContact CD2-CE2 4.06Å; L223-Y288 HydrophobicContact CD2-CG 3.57Å; Y251-Y288 WeakPolarHBondContact O-CD2 3.47Å; Y251-Y288 PolarHBondContact O-N 3.02Å; W253-Y288 HydrophobicContact CB-CE2 4.43Å; W253-Y288 AromaticContact CD1-CE2 3.97Å; W253-Y288 AromaticContact CD2-CE2 3.59Å; W253-Y288 HydrophobicContact CD2-CE2 3.59Å; W253-Y288 AromaticContact CE2-CE2 3.72Å; W253-Y288 HydrophobicContact CE3-CE2 4.05Å; W253-Y288 AromaticContact CG-CE2 3.77Å; W253-Y288 HydrophobicContact CG-CE2 3.77Å; W253-Y288 HydrophobicContact CZ2-CE2 4.3Å; W253-Y288 AromaticContact NE1-CE2 3.89Å; F286-Y288 HydrophobicContact CB-CE2 3.76Å; F286-Y288 WeakPolarHBondContact CD1-OH 3.35Å; Y288-F292 HydrophobicContact CD1-CD1 4.34Å; Y288-F292 AromaticContact CD1-CD2 3.76Å; Y288-F292 HydrophobicContact CD1-CD2 3.76Å; Y288-F292 HydrophobicContact CD1-CE1 4.4Å; Y288-F292 AromaticContact CD1-CE2 3.89Å; Y288-F292 HydrophobicContact CD1-CE2 3.89Å; Y288-F292 HydrophobicContact CD1-CG 4.02Å; Y288-F292 HydrophobicContact CD1-CZ 4.22Å; Y288-F292 HydrophobicContact CE1-CD2 4.3Å; Y288-F292 AromaticContact CE1-CE2 3.95Å; Y288-F292 HydrophobicContact CE1-CE2 3.95Å; Y288-F292 HydrophobicContact CE1-CZ 4.1Å; Y288-P297 HydrophobicContact CD1-CB 3.75Å; Y288-P297 HydrophobicContact CE1-CB 3.6Å; Y288-P297 HydrophobicContact CE1-CG 4.18Å; Y288-I333 HydrophobicContact CE1-CD1 3.89Å; Y288-I333 HydrophobicContact CE1-CG1 4.38Å; Y288-I333 WeakPolarHBondContact OH-CG2 3.18Å
289K93.4Very high95.5Very high143 Ų14334.9 Ų34.962%0.62218%0.176SC*.  trans-111167.7175.2-65.3-172.3176.6-173.60110.7N291 F292K289-N291 PolarHBondContact O-N 3.23Å; K289-F292 WeakPolarHBondContact O-CB 3.48Å; K289-F292 PolarHBondContact O-N 3.17Å
290D91.1Very high95.8Very high97 Ų9734.6 Ų34.652%0.51917%0.17SC..THydrogen-bonded Turntrans-58.1-24.7-178.2-53.61.6000114G215 S216 A219 F292G215-D290 VanDerWaalsContact CA-OD1 3.26Å; G215-D290 WeakPolarHBondContact CA-OD1 3.41Å; S216-D290 WeakPolarHBondContact CB-O 3.36Å; S216-D290 PolarHBondContact OG-O 3.02Å; A219-D290 WeakPolarHBondContact CB-O 3.49Å; D290-F292 VanDerWaalsContact C-N 3.34Å
291N92.8Very high96.1Very high76 Ų7632.7 Ų32.741%0.40616%0.16SC..THydrogen-bonded Turntrans-89.74.4178.9-162.440.6000113.3K289 F294 D295K289-N291 PolarHBondContact O-N 3.23Å; N291-F294 WeakPolarHBondContact O-CA 3.37Å; N291-F294 VanDerWaalsContact O-CB 3.31Å; N291-F294 WeakPolarHBondContact O-CB 3.36Å; N291-F294 PolarHBondContact O-N 3.13Å; N291-D295 WeakPolarHBondContact CB-OD2 3.46Å; N291-D295 PolarHBondContact ND2-OD2 2.72Å; N291-D295 PolarHBondContact O-N 2.87Å
292F95.4Very high96.1Very high3 Ų332.9 Ų32.91%0.01316%0.164CC..THydrogen-bonded Turntrans-62.3136.4169.3-179.4-99.6000109.4A219 R222 L223 Y288 K289 D290 W327 I333A219-F292 VanDerWaalsContact CA-O 3.31Å; A219-F292 WeakPolarHBondContact CA-O 3.47Å; A219-F292 HydrophobicContact CB-CB 4.34Å; A219-F292 VanDerWaalsContact CB-O 3.26Å; A219-F292 WeakPolarHBondContact CB-O 3.41Å; R222-F292 HydrophobicContact CB-CD1 4.43Å; R222-F292 HydrophobicContact CB-CE1 4.21Å; R222-F292 HydrophobicContact CG-CD1 4.11Å; R222-F292 HydrophobicContact CG-CE1 3.53Å; R222-F292 HydrophobicContact CG-CZ 4.27Å; L223-F292 HydrophobicContact CD1-CD1 4.34Å; L223-F292 HydrophobicContact CD2-CD1 3.69Å; L223-F292 HydrophobicContact CD2-CE1 3.44Å; L223-F292 VanDerWaalsContact CD2-CE1 3.44Å; L223-F292 HydrophobicContact CD2-CG 4.48Å; L223-F292 HydrophobicContact CD2-CZ 4.13Å; L223-F292 HydrophobicContact CG-CD1 3.69Å; L223-F292 HydrophobicContact CG-CE1 3.75Å; Y288-F292 HydrophobicContact CD1-CD1 4.34Å; Y288-F292 AromaticContact CD1-CD2 3.76Å; Y288-F292 HydrophobicContact CD1-CD2 3.76Å; Y288-F292 HydrophobicContact CD1-CE1 4.4Å; Y288-F292 AromaticContact CD1-CE2 3.89Å; Y288-F292 HydrophobicContact CD1-CE2 3.89Å; Y288-F292 HydrophobicContact CD1-CG 4.02Å; Y288-F292 HydrophobicContact CD1-CZ 4.22Å; Y288-F292 HydrophobicContact CE1-CD2 4.3Å; Y288-F292 AromaticContact CE1-CE2 3.95Å; Y288-F292 HydrophobicContact CE1-CE2 3.95Å; Y288-F292 HydrophobicContact CE1-CZ 4.1Å; K289-F292 WeakPolarHBondContact O-CB 3.48Å; K289-F292 PolarHBondContact O-N 3.17Å; D290-F292 VanDerWaalsContact C-N 3.34Å; F292-W327 HydrophobicContact CD2-CZ2 4.47Å; F292-W327 HydrophobicContact CE2-CH2 4.25Å; F292-W327 AromaticContact CE2-CZ2 3.88Å; F292-W327 HydrophobicContact CE2-CZ2 3.88Å; F292-I333 HydrophobicContact CE2-CD1 4Å; F292-I333 HydrophobicContact CZ-CD1 3.88Å; F292-I333 HydrophobicContact CZ-CG1 4.21Å
293P94.8Very high95.9Very high15 Ų1534.9 Ų34.910%0.09718%0.178CC..THydrogen-bonded Turncis-9410.910.738.4-38.3000115.8R222 W327 S329R222-P293 HydrophobicContact CG-CB 4.03Å; R222-P293 HydrophobicContact CG-CG 3.99Å; R222-P293 VanDerWaalsContact NH1-CB 3.28Å; R222-P293 VanDerWaalsContact NH1-CG 3.28Å; P293-W327 PolarHBondContact O-NE1 3.45Å; P293-S329 WeakPolarHBondContact O-CA 3.43Å; P293-S329 WeakPolarHBondContact O-CB 3.41Å
294F93.3Very high95.8Very high126 Ų12634.6 Ų34.655%0.55318%0.177SC*.THydrogen-bonded Turntrans-73.2-38.8-179.4-56.4-70.7000112.2N291N291-F294 WeakPolarHBondContact O-CA 3.37Å; N291-F294 VanDerWaalsContact O-CB 3.31Å; N291-F294 WeakPolarHBondContact O-CB 3.36Å; N291-F294 PolarHBondContact O-N 3.13Å
295D93.6Very high95.7Very high46 Ų4635.2 Ų35.225%0.24618%0.181CC..SBendtrans-93.5145.9168.2-74.4-44.1000111.2N291N291-D295 WeakPolarHBondContact CB-OD2 3.46Å; N291-D295 PolarHBondContact ND2-OD2 2.72Å; N291-D295 PolarHBondContact O-N 2.87Å
296P96Very high95.6Very high20 Ų2035.1 Ų35.113%0.1318%0.18CC..PPolyproline II helixtrans-65.9153.6175.225.2-31.9000111.9W327P296-W327 HydrophobicContact CB-CB 3.86Å; P296-W327 HydrophobicContact CB-CD2 3.59Å; P296-W327 HydrophobicContact CB-CE3 3.88Å; P296-W327 HydrophobicContact CB-CG 3.58Å; P296-W327 HydrophobicContact CG-CB 4.05Å; P296-W327 HydrophobicContact CG-CG 4.09Å
297P96.9Very high95.4Very high2 Ų237.4 Ų37.41%0.01320%0.196CC..PPolyproline II helixtrans-63.514316528.5-33000110.2F286 S287 Y288 V299 W327 I333F286-P297 HydrophobicContact CD1-CB 4.3Å; F286-P297 HydrophobicContact CD1-CG 4.36Å; S287-P297 WeakPolarHBondContact O-CA 3.28Å; Y288-P297 HydrophobicContact CD1-CB 3.75Å; Y288-P297 HydrophobicContact CE1-CB 3.6Å; Y288-P297 HydrophobicContact CE1-CG 4.18Å; P297-V299 HydrophobicContact CB-CG2 4.2Å; P297-V299 HydrophobicContact CG-CG2 4.13Å; P297-V299 PolarHBondContact O-N 2.97Å; P297-W327 HydrophobicContact CG-CH2 4.4Å; P297-W327 HydrophobicContact CG-CZ3 4.49Å; P297-I333 HydrophobicContact CG-CD1 4.4Å
298F96.9Very high95.3Very high28 Ų2838.3 Ų38.312%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-80.6116.4167.1178.5-102.1000108.8S287 R300 L362 A365 Q366 Y369S287-F298 PolarHBondContact N-O 3.23Å; S287-F298 PolarHBondContact O-N 3.02Å; F298-R300 HydrophobicContact CE1-CB 4.26Å; F298-R300 HydrophobicContact CE1-CG 4.29Å; F298-L362 HydrophobicContact CD1-CD1 4.11Å; F298-L362 HydrophobicContact CE1-CD1 3.55Å; F298-L362 HydrophobicContact CZ-CD1 4.48Å; F298-A365 HydrophobicContact CE1-CB 4.38Å; F298-A365 HydrophobicContact CZ-CB 3.81Å; F298-Q366 HydrophobicContact CE1-CG 4.01Å; F298-Q366 HydrophobicContact CE2-CG 4.2Å; F298-Q366 HydrophobicContact CZ-CB 4.46Å; F298-Q366 HydrophobicContact CZ-CG 3.72Å; F298-Y369 HydrophobicContact CD2-CG 4.31Å; F298-Y369 HydrophobicContact CE2-CD1 4.44Å; F298-Y369 HydrophobicContact CE2-CD2 4.39Å; F298-Y369 AromaticContact CE2-CG 3.97Å; F298-Y369 HydrophobicContact CE2-CG 3.97Å
299V97.9Very high95.1Very high5 Ų537.9 Ų37.93%0.0321%0.208CC..EExtended strand (participates in β ladder)trans-116.3132.9-177.4-1690000110.9L284 N285 F286 P297 L317 L322 I340L284-V299 HydrophobicContact CB-CG1 4.47Å; N285-V299 WeakPolarHBondContact O-CA 3.3Å; F286-V299 HydrophobicContact CD1-CG1 4.49Å; F286-V299 HydrophobicContact CD1-CG2 3.57Å; F286-V299 HydrophobicContact CD2-CG1 3.84Å; F286-V299 HydrophobicContact CD2-CG2 4.35Å; F286-V299 HydrophobicContact CE1-CG1 4.27Å; F286-V299 HydrophobicContact CE1-CG2 3.6Å; F286-V299 HydrophobicContact CE2-CG1 3.58Å; F286-V299 HydrophobicContact CE2-CG2 4.36Å; F286-V299 HydrophobicContact CG-CG1 4.28Å; F286-V299 HydrophobicContact CG-CG2 3.97Å; F286-V299 HydrophobicContact CZ-CG1 3.81Å; F286-V299 HydrophobicContact CZ-CG2 4Å; P297-V299 HydrophobicContact CB-CG2 4.2Å; P297-V299 HydrophobicContact CG-CG2 4.13Å; P297-V299 PolarHBondContact O-N 2.97Å; V299-L317 HydrophobicContact CB-CD1 4.32Å; V299-L317 HydrophobicContact CG1-CD1 3.89Å; V299-L322 HydrophobicContact CB-CD1 3.95Å; V299-L322 HydrophobicContact CG2-CD1 4.2Å; V299-L322 HydrophobicContact CG2-CD2 3.91Å; V299-I340 HydrophobicContact CG1-CD1 3.92Å
300R97.3Very high95.2Very high34 Ų3435.6 Ų35.613%0.12820%0.196CC..EExtended strand (participates in β ladder)trans-139.3153.7176.264.7176.7179.798.12.5112.2L284 N285 F298 G315 A365L284-R300 CarbonylContact C-O 3.53Å; L284-R300 VanDerWaalsContact CA-O 3.31Å; L284-R300 WeakPolarHBondContact CA-O 3.24Å; N285-R300 HydrophobicContact CB-CG 4.07Å; N285-R300 PolarHBondContact N-O 3.45Å; N285-R300 PolarHBondContact O-N 3.1Å; N285-R300 PolarHBondContact OD1-NE 3.5Å; N285-R300 PolarHBondContact OD1-NH2 3.23Å; F298-R300 HydrophobicContact CE1-CB 4.26Å; F298-R300 HydrophobicContact CE1-CG 4.29Å; R300-G315 CarbonylContact C-O 3.54Å; R300-G315 VanDerWaalsContact CA-O 3.28Å; R300-G315 WeakPolarHBondContact CA-O 3.48Å; R300-G315 WeakPolarHBondContact CB-O 3.2Å; R300-A365 HydrophobicContact CB-CB 4.04Å
301V97.9Very high95.4Very high0 Ų031.9 Ų31.90%018%0.177CC..EExtended strand (participates in β ladder)trans-78.3126.2166.5-1720000108.8I282 L284 L306 V311 G315 L317 Y360I282-V301 HydrophobicContact CG2-CG1 4.03Å; L284-V301 HydrophobicContact CD2-CB 4.38Å; L284-V301 HydrophobicContact CD2-CG2 3.85Å; V301-L306 HydrophobicContact CG1-CD1 4.25Å; V301-V311 HydrophobicContact CB-CG1 4.37Å; V301-V311 HydrophobicContact CG2-CG1 3.87Å; V301-V311 HydrophobicContact CG2-CG2 4.16Å; V301-G315 PolarHBondContact N-O 2.73Å; V301-L317 HydrophobicContact CG2-CD2 3.79Å; V301-L317 HydrophobicContact CG2-CG 4.49Å; V301-Y360 HydrophobicContact CB-CD2 4.18Å; V301-Y360 HydrophobicContact CB-CE2 3.9Å; V301-Y360 HydrophobicContact CG1-CD2 4.07Å; V301-Y360 HydrophobicContact CG1-CE2 3.73Å; V301-Y360 WeakPolarHBondContact O-CD2 3.26Å
302V96.4Very high95.4Very high39 Ų3931 Ų3124%0.23617%0.171CC..EExtended strand (participates in β ladder)trans-91.4-47.4173.7-174.80000109.7L283 N285L283-V302 HydrophobicContact CB-CB 4.18Å; L283-V302 HydrophobicContact CD2-CB 3.81Å; L283-V302 HydrophobicContact CD2-CG1 3.81Å; L283-V302 HydrophobicContact CD2-CG2 4.27Å; L283-V302 HydrophobicContact CG-CB 3.84Å; L283-V302 HydrophobicContact CG-CG1 4.4Å; L283-V302 HydrophobicContact CG-CG2 4.07Å; L283-V302 PolarHBondContact O-N 3.41Å; N285-V302 HydrophobicContact CB-CG2 3.57Å
303S95Very high95.1Very high42 Ų4232.9 Ų32.929%0.29419%0.192SC..EExtended strand (participates in β ladder)trans-162.2154.9179.759.40000111I282 L283I282-S303 CarbonylContact C-O 3.52Å; I282-S303 WeakPolarHBondContact CA-O 3.39Å; L283-S303 PolarHBondContact N-O 3.34Å; L283-S303 PolarHBondContact O-N 2.94Å
304P95.6Very high94.9Very high15 Ų1532.3 Ų32.310%0.09719%0.189CC..SBendcis-73.4176.4-10.234.3-38000111.9L273 L306 V351 Y360L273-P304 HydrophobicContact CD2-CB 3.95Å; L273-P304 HydrophobicContact CD2-CG 3.85Å; P304-L306 HydrophobicContact CG-CD2 3.98Å; P304-L306 PolarHBondContact O-N 2.96Å; P304-V351 HydrophobicContact CB-CG1 4Å; P304-V351 HydrophobicContact CG-CG1 4.09Å; P304-V351 HydrophobicContact CG-CG2 3.96Å; P304-Y360 WeakPolarHBondContact O-CE2 3.15Å
305V95.4Very high95Very high12 Ų1226.3 Ų26.37%0.07316%0.162CC..  trans-70.4129.1169.5-178.40000108.8Q352 A355 Y360V305-Q352 HydrophobicContact CB-CB 4.39Å; V305-Q352 HydrophobicContact CG1-CB 4.14Å; V305-Q352 HydrophobicContact CG1-CG 4.42Å; V305-Q352 PolarHBondContact O-N 2.95Å; V305-A355 HydrophobicContact CB-CB 3.75Å; V305-A355 HydrophobicContact CG1-CB 3.78Å; V305-A355 HydrophobicContact CG2-CB 3.99Å; V305-Y360 HydrophobicContact CB-CE2 4.38Å; V305-Y360 HydrophobicContact CG1-CE1 4.02Å; V305-Y360 HydrophobicContact CG1-CE2 4.46Å; V305-Y360 HydrophobicContact CG2-CD2 4.4Å; V305-Y360 HydrophobicContact CG2-CE2 4.45Å; V305-Y360 HydrophobicContact CG2-CG 4.47Å
306L95.9Very high95.1Very high3 Ų324.1 Ų24.12%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-115.5146.3-175.7-62.1177.1000110.2L266 I282 V301 P304 V311 L344 R350 V351 Q352 Y360L266-L306 HydrophobicContact CD1-CD2 4.17Å; I282-L306 HydrophobicContact CD1-CD1 4.21Å; I282-L306 HydrophobicContact CG2-CD1 4.16Å; V301-L306 HydrophobicContact CG1-CD1 4.25Å; P304-L306 HydrophobicContact CG-CD2 3.98Å; P304-L306 PolarHBondContact O-N 2.96Å; L306-V311 HydrophobicContact CB-CB 4.46Å; L306-V311 HydrophobicContact CB-CG2 4.18Å; L306-V311 HydrophobicContact CD1-CG2 4.14Å; L306-L344 HydrophobicContact CD1-CD2 4.09Å; L306-R350 CarbonylContact C-O 3.13Å; L306-R350 VanDerWaalsContact CA-O 3.27Å; L306-R350 WeakPolarHBondContact CA-O 3.41Å; L306-V351 HydrophobicContact CD2-CG2 3.96Å; L306-Q352 PolarHBondContact O-NE2 3.04Å; L306-Y360 PolarHBondContact N-OH 2.82Å; L306-Y360 PolarHBondContact O-OH 3.3Å; L306-Y360 VanDerWaalsContact O-OH 3.06Å
307S95.3Very high95.1Very high48 Ų4823.4 Ų23.434%0.33615%0.146SC..EExtended strand (participates in β ladder)trans-112.8137.8165.754.20000109.3A349 R350S307-A349 CarbonylContact O-C 3.57Å; S307-A349 WeakPolarHBondContact O-CA 3.31Å; S307-R350 PolarHBondContact N-O 3.19Å; S307-R350 PolarHBondContact O-N 3.44Å; S307-R350 PolarHBondContact OG-O 2.84Å
308G93.8Very high94.9Very high41 Ų4124.4 Ų24.442%0.42315%0.153SC..SBendtrans78.1-157.1-17300000111.7Y310 V311G308-Y310 PolarHBondContact O-N 3.21Å; G308-Y310 VanDerWaalsContact O-N 3.13Å; G308-V311 PolarHBondContact O-N 3.35Å
309G92.9Very high94.7Very high1 Ų123.6 Ų23.61%0.0115%0.15CC..THydrogen-bonded Turntrans66.414.7176.900000115V311 G347G309-V311 PolarHBondContact O-N 3.13Å; G309-G347 PolarHBondContact N-O 2.91Å
310Y94.2Very high94.3Very high94 Ų9427.2 Ų27.237%0.36917%0.166SC..THydrogen-bonded Turntrans58.725-169.2-53.5-88.6000113.5G308 C318 T343G308-Y310 PolarHBondContact O-N 3.21Å; G308-Y310 VanDerWaalsContact O-N 3.13Å; Y310-C318 WeakPolarHBondContact O-CB 3.46Å; Y310-C318 PolarHBondContact O-N 3.46Å; Y310-T343 HydrophobicContact CD2-CG2 3.63Å; Y310-T343 HydrophobicContact CE2-CG2 4.22Å; Y310-T343 HydrophobicContact CG-CG2 4.4Å
311V95.6Very high94.2Very high19 Ų1926.3 Ų26.312%0.11516%0.164CC..BIsolated β-bridgetrans-87.1121.3173.8-169.70000109.1V301 L306 G308 G309 L317 L344 Y360V301-V311 HydrophobicContact CB-CG1 4.37Å; V301-V311 HydrophobicContact CG2-CG1 3.87Å; V301-V311 HydrophobicContact CG2-CG2 4.16Å; L306-V311 HydrophobicContact CB-CB 4.46Å; L306-V311 HydrophobicContact CB-CG2 4.18Å; L306-V311 HydrophobicContact CD1-CG2 4.14Å; G308-V311 PolarHBondContact O-N 3.35Å; G309-V311 PolarHBondContact O-N 3.13Å; V311-L317 HydrophobicContact CG2-CD2 3.9Å; V311-L344 HydrophobicContact CG2-CD2 3.57Å; V311-Y360 HydrophobicContact CG1-CE2 4.4Å; V311-Y360 VanDerWaalsContact CG1-OH 3.3Å; V311-Y360 WeakPolarHBondContact CG1-OH 3.43Å
312L93.3Very high94Very high57 Ų5726.5 Ų26.530%0.29817%0.165SC..PPolyproline II helixtrans-89.2172.3179.8-57-177.7000112.1G314 G315 A316 C318 L372L312-G314 PolarHBondContact O-N 3.48Å; L312-G315 PolarHBondContact O-N 3.42Å; L312-A316 HydrophobicContact CB-CB 4.28Å; L312-A316 HydrophobicContact CD1-CB 4.5Å; L312-A316 PolarHBondContact N-O 3.12Å; L312-C318 HydrophobicContact CD1-CB 4.09Å; L312-C318 HydrophobicContact CD2-CB 3.94Å; L312-C318 HydrophobicContact CG-CB 3.92Å; L312-L372 HydrophobicContact CD1-CB 4.17Å; L312-L372 HydrophobicContact CD1-CD1 3.67Å
313G90Very high93.8Very high44 Ų4424.7 Ų24.745%0.45415%0.154SC..G310 helixtrans-52138170.600000111.9G315 S368G313-G315 PolarHBondContact O-N 3.11Å; G313-S368 WeakPolarHBondContact O-CB 3.41Å; G313-S368 PolarHBondContact O-OG 3.35Å
314G90.5Very high93.4Very high2 Ų229.7 Ų29.72%0.02117%0.17CC..G310 helixtrans80.5-9-176.300000115.3L312 Y360 N361L312-G314 PolarHBondContact O-N 3.48Å; G314-Y360 VanDerWaalsContact C-CD1 3.48Å; G314-Y360 WeakPolarHBondContact O-CA 3.42Å; G314-N361 PolarHBondContact O-N 2.91Å
315G94.7Very high93Very high0 Ų033.6 Ų33.60%019%0.187CC..G310 helixtrans987.5177.800000114.5R300 V301 L312 G313R300-G315 CarbonylContact C-O 3.54Å; R300-G315 VanDerWaalsContact CA-O 3.28Å; R300-G315 WeakPolarHBondContact CA-O 3.48Å; R300-G315 WeakPolarHBondContact CB-O 3.2Å; V301-G315 PolarHBondContact N-O 2.73Å; L312-G315 PolarHBondContact O-N 3.42Å; G313-G315 PolarHBondContact O-N 3.11Å
316A95.5Very high92.7Very high1 Ų133.7 Ų33.71%0.00819%0.191CC..BIsolated β-bridgetrans-66.5150.2174.700000111.9L312 A365L312-A316 HydrophobicContact CB-CB 4.28Å; L312-A316 HydrophobicContact CD1-CB 4.5Å; L312-A316 PolarHBondContact N-O 3.12Å; A316-A365 HydrophobicContact CB-CB 4.09Å; A316-A365 VanDerWaalsContact CB-O 3.3Å; A316-A365 WeakPolarHBondContact CB-O 3.35Å
317L95.6Very high92.7Very high4 Ų434.7 Ų34.72%0.02120%0.195CC..BIsolated β-bridgetrans-100.6127.2177.1-64.8178.1000111V299 V301 V311 M319 L322 I340V299-L317 HydrophobicContact CB-CD1 4.32Å; V299-L317 HydrophobicContact CG1-CD1 3.89Å; V301-L317 HydrophobicContact CG2-CD2 3.79Å; V301-L317 HydrophobicContact CG2-CG 4.49Å; V311-L317 HydrophobicContact CG2-CD2 3.9Å; L317-M319 HydrophobicContact CB-CG 4.34Å; L317-M319 HydrophobicContact CB-SD 4.3Å; L317-M319 HydrophobicContact CD1-SD 4.32Å; L317-M319 PolarHBondContact O-N 3.44Å; L317-L322 HydrophobicContact CB-CD1 4Å; L317-L322 HydrophobicContact CD1-CD1 4.2Å; L317-I340 HydrophobicContact CD1-CD1 4.05Å; L317-I340 HydrophobicContact CD1-CG1 4.07Å; L317-I340 HydrophobicContact CD1-CG2 3.77Å
318C93.3Very high92.7Very high24 Ų2434.6 Ų34.616%0.16219%0.194CC..  trans-88.577.7175.3175.60000110.7Y310 L312 L372Y310-C318 WeakPolarHBondContact O-CB 3.46Å; Y310-C318 PolarHBondContact O-N 3.46Å; L312-C318 HydrophobicContact CD1-CB 4.09Å; L312-C318 HydrophobicContact CD2-CB 3.94Å; L312-C318 HydrophobicContact CG-CB 3.92Å; C318-L372 HydrophobicContact CB-CD1 3.37Å; C318-L372 WeakPolarHBondContact SG-CD1 3.46Å
319M92.8Very high92.7Very high10 Ų1035 Ų355%0.04919%0.19CC..  trans-131.9128.3-176.7-64.2-179.964.700110.7L317 L321 L322 Q339 I340 T343L317-M319 HydrophobicContact CB-CG 4.34Å; L317-M319 HydrophobicContact CB-SD 4.3Å; L317-M319 HydrophobicContact CD1-SD 4.32Å; L317-M319 PolarHBondContact O-N 3.44Å; M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 HydrophobicContact CB-CD2 4.08Å; M319-L321 HydrophobicContact CE-CD2 3.58Å; M319-L321 PolarHBondContact O-N 2.91Å; M319-L322 HydrophobicContact CB-CD1 4.2Å; M319-L322 HydrophobicContact CB-CG 4.27Å; M319-L322 PolarHBondContact O-N 3.35Å; M319-Q339 HydrophobicContact CE-CG 4.2Å; M319-I340 HydrophobicContact CE-CB 4.43Å; M319-I340 HydrophobicContact CE-CG1 3.84Å; M319-I340 HydrophobicContact SD-CB 4.36Å; M319-I340 HydrophobicContact SD-CG1 3.73Å; M319-T343 HydrophobicContact CE-CG2 3.93Å; M319-T343 VanDerWaalsContact CE-OG1 3.3Å; M319-T343 WeakPolarHBondContact CE-OG1 3.31Å; M319-T343 HydrophobicContact CG-CG2 4.14Å; M319-T343 HydrophobicContact SD-CG2 3.98Å
320E90.2Very high92.8Very high81 Ų8139 Ų3938%0.37922%0.223SC..G310 helixtrans-56.5-43.2-177.2-178.2170.8-160.400112.1L322 T323 G326 W381E320-L322 PolarHBondContact O-N 2.92Å; E320-L322 VanDerWaalsContact O-N 3.08Å; E320-T323 PolarHBondContact O-N 3.32Å; E320-T323 PolarHBondContact O-OG1 3.33Å; E320-G326 WeakPolarHBondContact O-CA 3.34Å; E320-W381 HydrophobicContact CB-CD2 3.62Å; E320-W381 HydrophobicContact CB-CE3 3.69Å; E320-W381 HydrophobicContact CB-CG 4.08Å; E320-W381 HydrophobicContact CB-CH2 4.33Å; E320-W381 HydrophobicContact CB-CZ2 4.27Å; E320-W381 HydrophobicContact CB-CZ3 4.04Å; E320-W381 HydrophobicContact CG-CB 4.38Å; E320-W381 HydrophobicContact CG-CD2 3.78Å; E320-W381 HydrophobicContact CG-CE3 4.36Å; E320-W381 HydrophobicContact CG-CG 3.74Å
321L94.1Very high93Very high15 Ų1538.6 Ų38.68%0.07922%0.221CC..G310 helixtrans-62-18.5178.867.8134000114.3M319 T323 W327 Y331 V336 Q339M319-L321 VanDerWaalsContact C-N 3.3Å; M319-L321 HydrophobicContact CB-CD2 4.08Å; M319-L321 HydrophobicContact CE-CD2 3.58Å; M319-L321 PolarHBondContact O-N 2.91Å; L321-T323 VanDerWaalsContact C-N 3.31Å; L321-W327 WeakPolarHBondContact O-CA 3.27Å; L321-W327 WeakPolarHBondContact O-CB 3.29Å; L321-W327 VanDerWaalsContact O-CE3 3.3Å; L321-Y331 HydrophobicContact CB-CE2 4.31Å; L321-V336 HydrophobicContact CD1-CB 4.38Å; L321-V336 HydrophobicContact CD1-CG1 4.02Å; L321-V336 HydrophobicContact CD1-CG2 4.08Å; L321-Q339 VanDerWaalsContact CD1-OE1 3.29Å; L321-Q339 HydrophobicContact CD2-CG 4.04Å; L321-Q339 VanDerWaalsContact CD2-OE1 3.26Å
322L94.4Very high93Very high5 Ų539.3 Ų39.33%0.02623%0.227CC..G310 helixtrans-93.68.6177-61.4178.6000112.2V299 L317 M319 E320 V336 Y369V299-L322 HydrophobicContact CB-CD1 3.95Å; V299-L322 HydrophobicContact CG2-CD1 4.2Å; V299-L322 HydrophobicContact CG2-CD2 3.91Å; L317-L322 HydrophobicContact CB-CD1 4Å; L317-L322 HydrophobicContact CD1-CD1 4.2Å; M319-L322 HydrophobicContact CB-CD1 4.2Å; M319-L322 HydrophobicContact CB-CG 4.27Å; M319-L322 PolarHBondContact O-N 3.35Å; E320-L322 PolarHBondContact O-N 2.92Å; E320-L322 VanDerWaalsContact O-N 3.08Å; L322-V336 HydrophobicContact CD2-CG1 4.04Å; L322-Y369 WeakPolarHBondContact O-CE2 3.46Å; L322-Y369 PolarHBondContact O-OH 3.14Å
323T91.6Very high93.3Very high1 Ų136.6 Ų36.61%0.00621%0.213CC..SBendtrans-110157.6174.967.70000111.1E320 L321 Q325 G326 W327 Y369 L372 V373 W381E320-T323 PolarHBondContact O-N 3.32Å; E320-T323 PolarHBondContact O-OG1 3.33Å; L321-T323 VanDerWaalsContact C-N 3.31Å; T323-Q325 PolarHBondContact O-N 3.11Å; T323-Q325 VanDerWaalsContact O-N 3.1Å; T323-G326 PolarHBondContact O-N 2.87Å; T323-G326 VanDerWaalsContact O-N 3.15Å; T323-W327 WeakPolarHBondContact O-CB 3.08Å; T323-W327 PolarHBondContact O-N 3.27Å; T323-Y369 HydrophobicContact CG2-CE2 4.32Å; T323-L372 HydrophobicContact CG2-CD2 3.71Å; T323-V373 HydrophobicContact CG2-CG2 4.19Å; T323-W381 HydrophobicContact CG2-CH2 4.15Å; T323-W381 HydrophobicContact CG2-CZ2 3.49Å; T323-W381 VanDerWaalsContact CG2-CZ2 3.49Å
324K87.5Confident93.6Very high146 Ų14637.1 Ų37.164%0.63520%0.204SC*.THydrogen-bonded Turntrans-56.3-29.7-179.3-68.9-174.2172.5-173.70113
325Q85.7Confident93.9Very high97 Ų9739.1 Ų39.145%0.45322%0.217SC..THydrogen-bonded Turntrans-77.4-37.3-178.2-63.67614.600112.4T323 E377T323-Q325 PolarHBondContact O-N 3.11Å; T323-Q325 VanDerWaalsContact O-N 3.1Å; Q325-E377 PolarHBondContact NE2-OE1 2.91Å
326G89.9Confident94.1Very high15 Ų1539.1 Ų39.116%0.15522%0.217CC..THydrogen-bonded Turntrans-98.7-14.9-17800000114.9E320 T323 Y331E320-G326 WeakPolarHBondContact O-CA 3.34Å; T323-G326 PolarHBondContact O-N 2.87Å; T323-G326 VanDerWaalsContact O-N 3.15Å; G326-Y331 WeakPolarHBondContact O-CE2 3.26Å
327W95.3Very high94.2Very high24 Ų2439 Ų399%0.09122%0.217CC..  trans-72.3141-179.7177.1-109.9000111.7F292 P293 P296 P297 L321 T323 Y331 I333 V336F292-W327 HydrophobicContact CD2-CZ2 4.47Å; F292-W327 HydrophobicContact CE2-CH2 4.25Å; F292-W327 AromaticContact CE2-CZ2 3.88Å; F292-W327 HydrophobicContact CE2-CZ2 3.88Å; P293-W327 PolarHBondContact O-NE1 3.45Å; P296-W327 HydrophobicContact CB-CB 3.86Å; P296-W327 HydrophobicContact CB-CD2 3.59Å; P296-W327 HydrophobicContact CB-CE3 3.88Å; P296-W327 HydrophobicContact CB-CG 3.58Å; P296-W327 HydrophobicContact CG-CB 4.05Å; P296-W327 HydrophobicContact CG-CG 4.09Å; P297-W327 HydrophobicContact CG-CH2 4.4Å; P297-W327 HydrophobicContact CG-CZ3 4.49Å; L321-W327 WeakPolarHBondContact O-CA 3.27Å; L321-W327 WeakPolarHBondContact O-CB 3.29Å; L321-W327 VanDerWaalsContact O-CE3 3.3Å; T323-W327 WeakPolarHBondContact O-CB 3.08Å; T323-W327 PolarHBondContact O-N 3.27Å; W327-Y331 AromaticContact CE3-CD2 3.92Å; W327-Y331 HydrophobicContact CE3-CD2 3.92Å; W327-Y331 HydrophobicContact CZ3-CD2 4.14Å; W327-I333 HydrophobicContact CH2-CD1 4.29Å; W327-V336 HydrophobicContact CH2-CG2 4.37Å; W327-V336 HydrophobicContact CZ3-CG2 3.8Å
328S95.7Very high94.3Very high46 Ų4641.9 Ų41.932%0.32223%0.23SC..  trans-131.2132.4168.9178.20000109.1A330 Y331S328-A330 PolarHBondContact O-N 3.08Å; S328-A330 WeakPolarHBondContact OG-CB 3.47Å; S328-A330 PolarHBondContact OG-N 3.02Å; S328-Y331 WeakPolarHBondContact O-CB 3.31Å; S328-Y331 VanDerWaalsContact O-CD2 3.31Å; S328-Y331 WeakPolarHBondContact O-CD2 3.43Å; S328-Y331 PolarHBondContact O-N 3.03Å
329S94.9Very high94.4Very high49 Ų4944.7 Ų44.734%0.34324%0.241SC..THydrogen-bonded Turntrans-61.8-11.517462.70000113.1R222 P293R222-S329 VanDerWaalsContact CZ-O 3.28Å; R222-S329 PolarHBondContact NH1-O 3.42Å; R222-S329 PolarHBondContact NH2-O 3.28Å; P293-S329 WeakPolarHBondContact O-CA 3.43Å; P293-S329 WeakPolarHBondContact O-CB 3.41Å
330A94.6Very high94.7Very high84 Ų8444.2 Ų44.269%0.69424%0.239SC*.THydrogen-bonded Turntrans-79.5-13.9173.500000113.8S328S328-A330 PolarHBondContact O-N 3.08Å; S328-A330 WeakPolarHBondContact OG-CB 3.47Å; S328-A330 PolarHBondContact OG-N 3.02Å
331Y96.9Very high95Very high87 Ų8740.9 Ų40.934%0.34122%0.224SC..  trans-68.5134.1175.3-65.3-44.3000110.8R222 L321 G326 W327 S328R222-Y331 PolarHBondContact NH2-O 3.41Å; R222-Y331 VanDerWaalsContact NH2-O 3.1Å; L321-Y331 HydrophobicContact CB-CE2 4.31Å; G326-Y331 WeakPolarHBondContact O-CE2 3.26Å; W327-Y331 AromaticContact CE3-CD2 3.92Å; W327-Y331 HydrophobicContact CE3-CD2 3.92Å; W327-Y331 HydrophobicContact CZ3-CD2 4.14Å; S328-Y331 WeakPolarHBondContact O-CB 3.31Å; S328-Y331 VanDerWaalsContact O-CD2 3.31Å; S328-Y331 WeakPolarHBondContact O-CD2 3.43Å; S328-Y331 PolarHBondContact O-N 3.03Å
332S97.4Very high95.1Very high33 Ų3343 Ų4323%0.23124%0.243CC..  trans-81148167.568.40000109.8E226 E334 S335 V336E226-S332 WeakPolarHBondContact OE2-CA 3.47Å; S332-E334 VanDerWaalsContact C-N 3.27Å; S332-E334 PolarHBondContact O-N 2.99Å; S332-S335 PolarHBondContact N-OG 2.96Å; S332-S335 PolarHBondContact O-N 3.35Å; S332-S335 PolarHBondContact O-OG 3.45Å; S332-S335 WeakPolarHBondContact OG-CB 3.42Å; S332-S335 PolarHBondContact OG-N 3.24Å; S332-S335 PolarHBondContact OG-OG 2.92Å; S332-V336 WeakPolarHBondContact O-CG2 3.4Å; S332-V336 PolarHBondContact O-N 3.35Å; S332-V336 VanDerWaalsContact O-N 3.11Å
333I98Very high95.1Very high0 Ų044.1 Ų44.10%025%0.25CS..Hα-helixtrans-65.9-32.9178.6-60.7-55.9000111E226 I230 W253 F286 Y288 F292 P297 W327 S335 V336 I337E226-I333 HydrophobicContact CB-CB 4.34Å; E226-I333 HydrophobicContact CB-CG1 3.95Å; E226-I333 HydrophobicContact CG-CG1 3.79Å; E226-I333 PolarHBondContact OE2-N 3.12Å; I230-I333 HydrophobicContact CD1-CB 4.13Å; I230-I333 HydrophobicContact CD1-CG2 3.92Å; W253-I333 HydrophobicContact CE3-CG2 4.42Å; W253-I333 HydrophobicContact CZ3-CG2 3.88Å; F286-I333 HydrophobicContact CE1-CG2 4.34Å; Y288-I333 HydrophobicContact CE1-CD1 3.89Å; Y288-I333 HydrophobicContact CE1-CG1 4.38Å; Y288-I333 WeakPolarHBondContact OH-CG2 3.18Å; F292-I333 HydrophobicContact CE2-CD1 4Å; F292-I333 HydrophobicContact CZ-CD1 3.88Å; F292-I333 HydrophobicContact CZ-CG1 4.21Å; P297-I333 HydrophobicContact CG-CD1 4.4Å; W327-I333 HydrophobicContact CH2-CD1 4.29Å; I333-S335 VanDerWaalsContact C-N 3.32Å; I333-S335 PolarHBondContact O-N 3.45Å; I333-V336 PolarHBondContact O-N 3.39Å; I333-I337 HydrophobicContact CG2-CD1 3.95Å; I333-I337 HydrophobicContact CG2-CG1 4.31Å; I333-I337 VanDerWaalsContact O-CG1 3.27Å; I333-I337 WeakPolarHBondContact O-CG1 3.47Å; I333-I337 PolarHBondContact O-N 2.92Å
334E97.4Very high95.4Very high56 Ų5644.1 Ų44.126%0.26225%0.251SS..Hα-helixtrans-54.3-49.2169174.5-179-167.200111.1I230 S233 S235 S332 V336 I337 M338I230-E334 HydrophobicContact CG1-CB 4.17Å; S233-E334 VanDerWaalsContact CB-OE1 3.24Å; S233-E334 WeakPolarHBondContact CB-OE1 3.33Å; S233-E334 VanDerWaalsContact CB-OE2 3.3Å; S233-E334 WeakPolarHBondContact CB-OE2 3.07Å; S235-E334 WeakPolarHBondContact CB-OE1 3.26Å; S235-E334 PolarHBondContact OG-OE1 2.87Å; S332-E334 VanDerWaalsContact C-N 3.27Å; S332-E334 PolarHBondContact O-N 2.99Å; E334-V336 VanDerWaalsContact C-N 3.29Å; E334-V336 PolarHBondContact O-N 3.33Å; E334-I337 PolarHBondContact O-N 3.06Å; E334-M338 HydrophobicContact CG-CG 4.41Å; E334-M338 WeakPolarHBondContact O-CG 3.2Å; E334-M338 PolarHBondContact O-N 3.34Å
335S97.1Very high95.8Very high43 Ų4338.6 Ų38.630%0.30123%0.229SC..Hα-helixtrans-63.5-37.6-178.773.10000111.9S332 I333 M338 Q339S332-S335 PolarHBondContact N-OG 2.96Å; S332-S335 PolarHBondContact O-N 3.35Å; S332-S335 PolarHBondContact O-OG 3.45Å; S332-S335 WeakPolarHBondContact OG-CB 3.42Å; S332-S335 PolarHBondContact OG-N 3.24Å; S332-S335 PolarHBondContact OG-OG 2.92Å; I333-S335 VanDerWaalsContact C-N 3.32Å; I333-S335 PolarHBondContact O-N 3.45Å; S335-M338 PolarHBondContact O-N 2.84Å; S335-Q339 VanDerWaalsContact O-CB 3.25Å; S335-Q339 WeakPolarHBondContact O-CB 3.24Å; S335-Q339 PolarHBondContact O-N 2.95Å
336V97.9Very high96.1Very high0 Ų038.3 Ų38.30%023%0.226CC..Hα-helixtrans-63.4-47.8175.3176.10000110.8F286 L321 L322 W327 S332 I333 E334 M338 Q339 I340F286-V336 HydrophobicContact CE1-CG1 4.06Å; L321-V336 HydrophobicContact CD1-CB 4.38Å; L321-V336 HydrophobicContact CD1-CG1 4.02Å; L321-V336 HydrophobicContact CD1-CG2 4.08Å; L322-V336 HydrophobicContact CD2-CG1 4.04Å; W327-V336 HydrophobicContact CH2-CG2 4.37Å; W327-V336 HydrophobicContact CZ3-CG2 3.8Å; S332-V336 WeakPolarHBondContact O-CG2 3.4Å; S332-V336 PolarHBondContact O-N 3.35Å; S332-V336 VanDerWaalsContact O-N 3.11Å; I333-V336 PolarHBondContact O-N 3.39Å; E334-V336 VanDerWaalsContact C-N 3.29Å; E334-V336 PolarHBondContact O-N 3.33Å; V336-M338 VanDerWaalsContact C-N 3.34Å; V336-M338 PolarHBondContact O-N 3.1Å; V336-Q339 PolarHBondContact O-N 3.09Å; V336-I340 HydrophobicContact CG1-CD1 3.89Å; V336-I340 VanDerWaalsContact O-CG1 3.28Å; V336-I340 WeakPolarHBondContact O-CG1 3.41Å; V336-I340 PolarHBondContact O-N 3.11Å
337I98.3Very high96.3Very high0 Ų038.4 Ų38.40%023%0.227CC..Hα-helixtrans-58.4-47.7177.3-68.4165.7000110.4I230 Y241 V255 L257 F286 I333 E334 Q339 I340 N341I230-I337 HydrophobicContact CD1-CD1 4.23Å; Y241-I337 HydrophobicContact CD1-CG2 3.7Å; Y241-I337 HydrophobicContact CD2-CD1 4.21Å; Y241-I337 HydrophobicContact CD2-CG2 4.07Å; Y241-I337 HydrophobicContact CE1-CG2 4.08Å; Y241-I337 HydrophobicContact CE2-CD1 3.95Å; Y241-I337 HydrophobicContact CE2-CG2 4.41Å; Y241-I337 HydrophobicContact CG-CG2 3.71Å; V255-I337 HydrophobicContact CG1-CD1 3.95Å; V255-I337 HydrophobicContact CG1-CG1 4.11Å; V255-I337 HydrophobicContact CG1-CG2 3.92Å; V255-I337 HydrophobicContact CG2-CD1 4.11Å; L257-I337 HydrophobicContact CD2-CG2 3.78Å; F286-I337 HydrophobicContact CE1-CG1 4.15Å; F286-I337 HydrophobicContact CE2-CG1 4.31Å; F286-I337 HydrophobicContact CZ-CG1 3.64Å; I333-I337 HydrophobicContact CG2-CD1 3.95Å; I333-I337 HydrophobicContact CG2-CG1 4.31Å; I333-I337 VanDerWaalsContact O-CG1 3.27Å; I333-I337 WeakPolarHBondContact O-CG1 3.47Å; I333-I337 PolarHBondContact O-N 2.92Å; E334-I337 PolarHBondContact O-N 3.06Å; I337-Q339 PolarHBondContact O-N 3.47Å; I337-I340 PolarHBondContact O-N 2.93Å; I337-N341 PolarHBondContact O-N 3.2Å
338M97.3Very high96.3Very high63 Ų6344.1 Ų44.131%0.3125%0.253SS..Hα-helixtrans-66-37.6179.8-69.1-58-63.200112.3I240 Y241 E334 S335 V336 N341 A342I240-M338 HydrophobicContact CD1-CE 4.1Å; I240-M338 HydrophobicContact CD1-SD 4.48Å; I240-M338 HydrophobicContact CG2-CE 4.31Å; I240-M338 HydrophobicContact CG2-SD 3.96Å; Y241-M338 HydrophobicContact CD1-SD 4.15Å; Y241-M338 HydrophobicContact CE1-SD 4.02Å; E334-M338 HydrophobicContact CG-CG 4.41Å; E334-M338 WeakPolarHBondContact O-CG 3.2Å; E334-M338 PolarHBondContact O-N 3.34Å; S335-M338 PolarHBondContact O-N 2.84Å; V336-M338 VanDerWaalsContact C-N 3.34Å; V336-M338 PolarHBondContact O-N 3.1Å; M338-N341 WeakPolarHBondContact O-CB 3.34Å; M338-N341 PolarHBondContact O-N 2.93Å; M338-A342 PolarHBondContact O-N 3.43Å
339Q96.4Very high96.4Very high83 Ų8342 Ų4239%0.38824%0.238SC..Hα-helixtrans-68.8-38176.8-169.9169.922.500112.1M319 L321 S335 V336 I337 A342 T343M319-Q339 HydrophobicContact CE-CG 4.2Å; L321-Q339 VanDerWaalsContact CD1-OE1 3.29Å; L321-Q339 HydrophobicContact CD2-CG 4.04Å; L321-Q339 VanDerWaalsContact CD2-OE1 3.26Å; S335-Q339 VanDerWaalsContact O-CB 3.25Å; S335-Q339 WeakPolarHBondContact O-CB 3.24Å; S335-Q339 PolarHBondContact O-N 2.95Å; V336-Q339 PolarHBondContact O-N 3.09Å; I337-Q339 PolarHBondContact O-N 3.47Å; Q339-A342 PolarHBondContact O-N 3.03Å; Q339-T343 VanDerWaalsContact O-CB 3.23Å; Q339-T343 WeakPolarHBondContact O-CB 3.28Å; Q339-T343 PolarHBondContact O-N 3.31Å; Q339-T343 PolarHBondContact O-OG1 3.25Å
340I97.7Very high96.5Very high0 Ų044.8 Ų44.80%024%0.241CC..Hα-helixtrans-60.7-48.6171.2-67.9161.9000109.8L284 F286 V299 L317 M319 V336 I337 A342 T343 L344L284-I340 HydrophobicContact CD1-CG2 3.77Å; F286-I340 HydrophobicContact CE1-CD1 4.45Å; F286-I340 HydrophobicContact CZ-CD1 3.77Å; V299-I340 HydrophobicContact CG1-CD1 3.92Å; L317-I340 HydrophobicContact CD1-CD1 4.05Å; L317-I340 HydrophobicContact CD1-CG1 4.07Å; L317-I340 HydrophobicContact CD1-CG2 3.77Å; M319-I340 HydrophobicContact CE-CB 4.43Å; M319-I340 HydrophobicContact CE-CG1 3.84Å; M319-I340 HydrophobicContact SD-CB 4.36Å; M319-I340 HydrophobicContact SD-CG1 3.73Å; V336-I340 HydrophobicContact CG1-CD1 3.89Å; V336-I340 VanDerWaalsContact O-CG1 3.28Å; V336-I340 WeakPolarHBondContact O-CG1 3.41Å; V336-I340 PolarHBondContact O-N 3.11Å; I337-I340 PolarHBondContact O-N 2.93Å; I340-A342 VanDerWaalsContact C-N 3.35Å; I340-A342 PolarHBondContact O-N 3.1Å; I340-T343 PolarHBondContact O-N 3.28Å; I340-T343 VanDerWaalsContact O-N 3.12Å; I340-L344 HydrophobicContact CG2-CD1 4.17Å; I340-L344 HydrophobicContact CG2-CG 4.39Å; I340-L344 WeakPolarHBondContact O-CG 3.44Å; I340-L344 PolarHBondContact O-N 3.33Å
341N97.1Very high96.6Very high11 Ų1141.3 Ų41.36%0.05921%0.211CC..Hα-helixtrans-55.5-48.7178.2-1683.4000111.7L257 K259 V260 I337 M338 T343 L344 V345L257-N341 HydrophobicContact CD1-CB 4.13Å; L257-N341 HydrophobicContact CD2-CB 4.4Å; K259-N341 PolarHBondContact O-ND2 3.47Å; V260-N341 WeakPolarHBondContact CG1-OD1 3.3Å; I337-N341 PolarHBondContact O-N 3.2Å; M338-N341 WeakPolarHBondContact O-CB 3.34Å; M338-N341 PolarHBondContact O-N 2.93Å; N341-T343 PolarHBondContact O-N 3.44Å; N341-L344 PolarHBondContact O-N 2.79Å; N341-V345 PolarHBondContact O-N 3.23Å
342A95.5Very high96.5Very high60 Ų6041 Ų4150%0.49621%0.213SC..Hα-helixtrans-64.7-38.2176.400000113M338 Q339 I340 V345 K346M338-A342 PolarHBondContact O-N 3.43Å; Q339-A342 PolarHBondContact O-N 3.03Å; I340-A342 VanDerWaalsContact C-N 3.35Å; I340-A342 PolarHBondContact O-N 3.1Å; A342-V345 PolarHBondContact O-N 2.83Å; A342-K346 WeakPolarHBondContact O-CB 3.42Å; A342-K346 PolarHBondContact O-N 2.75Å
343T95.4Very high96.2Very high28 Ų2843.3 Ų43.317%0.17222%0.219CC..Hα-helixtrans-69.4-35.6-178.5-60.90000112Y310 M319 Q339 I340 N341 V345 K346 G347Y310-T343 HydrophobicContact CD2-CG2 3.63Å; Y310-T343 HydrophobicContact CE2-CG2 4.22Å; Y310-T343 HydrophobicContact CG-CG2 4.4Å; M319-T343 HydrophobicContact CE-CG2 3.93Å; M319-T343 VanDerWaalsContact CE-OG1 3.3Å; M319-T343 WeakPolarHBondContact CE-OG1 3.31Å; M319-T343 HydrophobicContact CG-CG2 4.14Å; M319-T343 HydrophobicContact SD-CG2 3.98Å; Q339-T343 VanDerWaalsContact O-CB 3.23Å; Q339-T343 WeakPolarHBondContact O-CB 3.28Å; Q339-T343 PolarHBondContact O-N 3.31Å; Q339-T343 PolarHBondContact O-OG1 3.25Å; I340-T343 PolarHBondContact O-N 3.28Å; I340-T343 VanDerWaalsContact O-N 3.12Å; N341-T343 PolarHBondContact O-N 3.44Å; T343-V345 VanDerWaalsContact C-N 3.33Å; T343-V345 PolarHBondContact O-N 2.78Å; T343-K346 PolarHBondContact O-N 2.78Å; T343-G347 PolarHBondContact O-N 2.94Å
344L96.7Very high95.5Very high2 Ų247.2 Ų47.21%0.0126%0.259CS..Hα-helixtrans-60.1-45.3172.9-70.4171.5000110.9L257 L266 I282 L306 V311 I340 N341 K348 A349L257-L344 HydrophobicContact CD1-CD1 3.89Å; L266-L344 HydrophobicContact CD2-CB 4.19Å; I282-L344 HydrophobicContact CD1-CD1 4.04Å; L306-L344 HydrophobicContact CD1-CD2 4.09Å; V311-L344 HydrophobicContact CG2-CD2 3.57Å; I340-L344 HydrophobicContact CG2-CD1 4.17Å; I340-L344 HydrophobicContact CG2-CG 4.39Å; I340-L344 WeakPolarHBondContact O-CG 3.44Å; I340-L344 PolarHBondContact O-N 3.33Å; N341-L344 PolarHBondContact O-N 2.79Å; L344-K348 PolarHBondContact O-N 3.3Å; L344-A349 HydrophobicContact CB-CB 4.18Å; L344-A349 HydrophobicContact CD2-CB 4.3Å; L344-A349 WeakPolarHBondContact O-CB 3.37Å; L344-A349 PolarHBondContact O-N 2.71Å
345V96.3Very high95Very high29 Ų2945.9 Ų45.918%0.17626%0.258CS..Hα-helixtrans-65.4-51176.8174.30000111.2V260 D261 L266 N341 A342 T343 G347 K348V260-V345 HydrophobicContact CB-CG2 4.23Å; D261-V345 HydrophobicContact CB-CG1 3.91Å; D261-V345 HydrophobicContact CB-CG2 3.99Å; L266-V345 HydrophobicContact CD2-CG2 4.42Å; N341-V345 PolarHBondContact O-N 3.23Å; A342-V345 PolarHBondContact O-N 2.83Å; T343-V345 VanDerWaalsContact C-N 3.33Å; T343-V345 PolarHBondContact O-N 2.78Å; V345-G347 VanDerWaalsContact C-N 3.27Å; V345-G347 PolarHBondContact O-N 2.57Å; V345-K348 WeakPolarHBondContact O-CA 3.11Å; V345-K348 PolarHBondContact O-N 2.9Å
346K93.1Very high94.4Very high91 Ų9149 Ų4940%0.39627%0.271SS..Hα-helixtrans-59-38.7179.1-175.5178.6179.9-177.90112.1A342 T343 K348A342-K346 WeakPolarHBondContact O-CB 3.42Å; A342-K346 PolarHBondContact O-N 2.75Å; T343-K346 PolarHBondContact O-N 2.78Å; K346-K348 PolarHBondContact O-N 3.12Å
347G93.8Very high93.4Very high18 Ų1855.8 Ų55.819%0.18630%0.301CS..THydrogen-bonded Turntrans-76.27.417500000114.1G309 T343 V345 A349G309-G347 PolarHBondContact N-O 2.91Å; T343-G347 PolarHBondContact O-N 2.94Å; V345-G347 VanDerWaalsContact C-N 3.27Å; V345-G347 PolarHBondContact O-N 2.57Å; G347-A349 VanDerWaalsContact C-N 3.27Å; G347-A349 PolarHBondContact O-N 2.96Å
348K95.4Very high92.5Very high144 Ų14461.7 Ų61.763%0.62633%0.332SS*.THydrogen-bonded Turntrans53.343.4179.8-57179-177.2175.50112.1L344 V345 K346 R350L344-K348 PolarHBondContact O-N 3.3Å; V345-K348 WeakPolarHBondContact O-CA 3.11Å; V345-K348 PolarHBondContact O-N 2.9Å; K346-K348 PolarHBondContact O-N 3.12Å; K348-R350 PolarHBondContact O-N 3.49Å
349A97.3Very high92Very high1 Ų162 Ų621%0.00833%0.333CS..  trans-56.4137.9177.400000110.7L266 S307 L344 G347L266-A349 WeakPolarHBondContact CB-O 3.42Å; L266-A349 HydrophobicContact CD1-CB 4.21Å; L266-A349 HydrophobicContact CD2-CB 4.13Å; S307-A349 CarbonylContact O-C 3.57Å; S307-A349 WeakPolarHBondContact O-CA 3.31Å; L344-A349 HydrophobicContact CB-CB 4.18Å; L344-A349 HydrophobicContact CD2-CB 4.3Å; L344-A349 WeakPolarHBondContact O-CB 3.37Å; L344-A349 PolarHBondContact O-N 2.71Å; G347-A349 VanDerWaalsContact C-N 3.27Å; G347-A349 PolarHBondContact O-N 2.96Å
350R97.5Very high91.9Very high108 Ų10859 Ų5941%0.40832%0.318SS..EExtended strand (participates in β ladder)trans-129.6146.8176.2-57.3-60.1-55.9-80.2-2110D269 L306 S307 K348D269-R350 IonicContact OD1-CZ 3.63Å; D269-R350 IonicContact OD1-NE 3.58Å; D269-R350 IonicContact OD1-NH2 2.8Å; D269-R350 PolarHBondContact OD1-NH2 3.06Å; D269-R350 WeakPolarHBondContact OD2-CA 3.46Å; D269-R350 IonicContact OD2-CZ 3.5Å; D269-R350 IonicContact OD2-NE 2.76Å; D269-R350 PolarHBondContact OD2-NE 3.23Å; D269-R350 IonicContact OD2-NH2 3.4Å; D269-R350 PolarHBondContact OD2-NH2 3.37Å; L306-R350 CarbonylContact C-O 3.13Å; L306-R350 VanDerWaalsContact CA-O 3.27Å; L306-R350 WeakPolarHBondContact CA-O 3.41Å; S307-R350 PolarHBondContact N-O 3.19Å; S307-R350 PolarHBondContact O-N 3.44Å; S307-R350 PolarHBondContact OG-O 2.84Å; K348-R350 PolarHBondContact O-N 3.49Å
351V96.2Very high91.6Very high11 Ų1161 Ų617%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-76.5126.9174.2179.10000109.4L266 D269 L270 L273 P304 L306 F353L266-V351 HydrophobicContact CD1-CG2 4.3Å; D269-V351 HydrophobicContact CB-CB 3.89Å; D269-V351 HydrophobicContact CB-CG2 3.66Å; D269-V351 PolarHBondContact OD2-N 3.21Å; L270-V351 HydrophobicContact CD2-CG2 4.3Å; L273-V351 HydrophobicContact CD1-CG1 4.45Å; P304-V351 HydrophobicContact CB-CG1 4Å; P304-V351 HydrophobicContact CG-CG1 4.09Å; P304-V351 HydrophobicContact CG-CG2 3.96Å; L306-V351 HydrophobicContact CD2-CG2 3.96Å; V351-F353 HydrophobicContact CB-CE1 4.39Å; V351-F353 HydrophobicContact CB-CE2 4.05Å; V351-F353 HydrophobicContact CB-CZ 3.96Å; V351-F353 HydrophobicContact CG1-CD1 4.11Å; V351-F353 HydrophobicContact CG1-CD2 4.49Å; V351-F353 HydrophobicContact CG1-CE1 3.89Å; V351-F353 HydrophobicContact CG1-CE2 4.28Å; V351-F353 HydrophobicContact CG1-CG 4.41Å; V351-F353 HydrophobicContact CG1-CZ 3.98Å; V351-F353 WeakPolarHBondContact O-CD2 3.48Å; V351-F353 PolarHBondContact O-N 3.35Å
352Q94.4Very high91.3Very high79 Ų7963.1 Ų63.137%0.36934%0.34SS..  trans-86.387174.5-64.1-168.353.900110.1V305 L306 G354 A355V305-Q352 HydrophobicContact CB-CB 4.39Å; V305-Q352 HydrophobicContact CG1-CB 4.14Å; V305-Q352 HydrophobicContact CG1-CG 4.42Å; V305-Q352 PolarHBondContact O-N 2.95Å; L306-Q352 PolarHBondContact O-NE2 3.04Å; Q352-G354 PolarHBondContact O-N 2.88Å; Q352-A355 HydrophobicContact CB-CB 3.88Å; Q352-A355 WeakPolarHBondContact O-CB 3.19Å; Q352-A355 PolarHBondContact O-N 3.33Å
353F91.2Very high91Very high82 Ų8262.2 Ų62.236%0.3633%0.333SS..THydrogen-bonded Turntrans-63.2125.3176.4-60.1-78.5000110.9D269 V272 L273 V351D269-F353 HydrophobicContact CB-CE2 4.3Å; D269-F353 HydrophobicContact CB-CZ 4.14Å; D269-F353 WeakPolarHBondContact O-CZ 3.26Å; V272-F353 HydrophobicContact CB-CE1 4.31Å; V272-F353 HydrophobicContact CB-CZ 3.93Å; V272-F353 HydrophobicContact CG1-CE1 3.87Å; V272-F353 HydrophobicContact CG1-CZ 3.79Å; L273-F353 HydrophobicContact CB-CE1 4.27Å; L273-F353 HydrophobicContact CD1-CE1 4.21Å; V351-F353 HydrophobicContact CB-CE1 4.39Å; V351-F353 HydrophobicContact CB-CE2 4.05Å; V351-F353 HydrophobicContact CB-CZ 3.96Å; V351-F353 HydrophobicContact CG1-CD1 4.11Å; V351-F353 HydrophobicContact CG1-CD2 4.49Å; V351-F353 HydrophobicContact CG1-CE1 3.89Å; V351-F353 HydrophobicContact CG1-CE2 4.28Å; V351-F353 HydrophobicContact CG1-CG 4.41Å; V351-F353 HydrophobicContact CG1-CZ 3.98Å; V351-F353 WeakPolarHBondContact O-CD2 3.48Å; V351-F353 PolarHBondContact O-N 3.35Å
354G84.9Confident90.9Very high83 Ų8366.9 Ų66.986%0.85635%0.347SS*.THydrogen-bonded Turntrans88.80.4-179.100000115.2Q352Q352-G354 PolarHBondContact O-N 2.88Å
355A86.1Confident90.7Very high28 Ų2866.8 Ų66.823%0.23135%0.347CS..  trans-64.6147.9169.500000111.1V305 Q352 K357V305-A355 HydrophobicContact CB-CB 3.75Å; V305-A355 HydrophobicContact CG1-CB 3.78Å; V305-A355 HydrophobicContact CG2-CB 3.99Å; Q352-A355 HydrophobicContact CB-CB 3.88Å; Q352-A355 WeakPolarHBondContact O-CB 3.19Å; Q352-A355 PolarHBondContact O-N 3.33Å; A355-K357 PolarHBondContact O-N 3.32Å
356N84.8Confident90.5Very high108 Ų10869.2 Ų69.258%0.57836%0.356SS*.  trans-66.2121177.3-175.2-13.2000109.7N358 Q359N356-N358 PolarHBondContact O-N 3.01Å; N356-N358 VanDerWaalsContact O-N 3.14Å; N356-N358 WeakPolarHBondContact OD1-CB 3.5Å; N356-N358 PolarHBondContact OD1-N 3.06Å; N356-Q359 WeakPolarHBondContact O-CB 3.2Å; N356-Q359 PolarHBondContact O-N 3.1Å
357K75.8Confident90.5Very high142 Ų14270.9 Ų70.962%0.61737%0.365SS*.G310 helixtrans-57.9-28.4179.8-64.8-173.7176.3-171.30112.8E277 A355 Q359E277-K357 WeakPolarHBondContact OE2-CE 3.42Å; E277-K357 IonicContact OE2-NZ 2.7Å; E277-K357 PolarHBondContact OE2-NZ 3.08Å; A355-K357 PolarHBondContact O-N 3.32Å; K357-Q359 PolarHBondContact O-N 3.3Å
358N79.3Confident90.5Very high124 Ų12471.4 Ų71.466%0.66337%0.366SS*.G310 helixtrans-76.9-0.1177.3-65.8-6.5000113.7N356 Y360N356-N358 PolarHBondContact O-N 3.01Å; N356-N358 VanDerWaalsContact O-N 3.14Å; N356-N358 WeakPolarHBondContact OD1-CB 3.5Å; N356-N358 PolarHBondContact OD1-N 3.06Å; N358-Y360 VanDerWaalsContact C-N 3.25Å; N358-Y360 PolarHBondContact O-N 3.19Å
359Q87.1Confident90.3Very high70 Ų7066.9 Ų66.933%0.32735%0.345SS..G310 helixtrans-64.5-33.6176.2-176.7173.6-12.700111.8N356 K357 R364N356-Q359 WeakPolarHBondContact O-CB 3.2Å; N356-Q359 PolarHBondContact O-N 3.1Å; K357-Q359 PolarHBondContact O-N 3.3Å; Q359-R364 PolarHBondContact O-NH1 3.48Å
360Y93.8Very high89.9Confident19 Ų1971.5 Ų71.58%0.07537%0.365CS..  trans-95.6123.4176.8-71.4-1.4000110.5V301 P304 V305 L306 V311 G314 N358V301-Y360 HydrophobicContact CB-CD2 4.18Å; V301-Y360 HydrophobicContact CB-CE2 3.9Å; V301-Y360 HydrophobicContact CG1-CD2 4.07Å; V301-Y360 HydrophobicContact CG1-CE2 3.73Å; V301-Y360 WeakPolarHBondContact O-CD2 3.26Å; P304-Y360 WeakPolarHBondContact O-CE2 3.15Å; V305-Y360 HydrophobicContact CB-CE2 4.38Å; V305-Y360 HydrophobicContact CG1-CE1 4.02Å; V305-Y360 HydrophobicContact CG1-CE2 4.46Å; V305-Y360 HydrophobicContact CG2-CD2 4.4Å; V305-Y360 HydrophobicContact CG2-CE2 4.45Å; V305-Y360 HydrophobicContact CG2-CG 4.47Å; L306-Y360 PolarHBondContact N-OH 2.82Å; L306-Y360 PolarHBondContact O-OH 3.3Å; L306-Y360 VanDerWaalsContact O-OH 3.06Å; V311-Y360 HydrophobicContact CG1-CE2 4.4Å; V311-Y360 VanDerWaalsContact CG1-OH 3.3Å; V311-Y360 WeakPolarHBondContact CG1-OH 3.43Å; G314-Y360 VanDerWaalsContact C-CD1 3.48Å; G314-Y360 WeakPolarHBondContact O-CA 3.42Å; N358-Y360 VanDerWaalsContact C-N 3.25Å; N358-Y360 PolarHBondContact O-N 3.19Å
361N92.2Very high89.5Confident44 Ų4468.9 Ų68.924%0.23536%0.363CS..  trans-157.1162.3175.563.263.6000109.8G314 A363 R364 A365G314-N361 PolarHBondContact O-N 2.91Å; N361-A363 PolarHBondContact O-N 3.09Å; N361-A363 PolarHBondContact OD1-N 3.21Å; N361-R364 WeakPolarHBondContact ND2-CD 3.45Å; N361-R364 PolarHBondContact O-N 2.76Å; N361-R364 WeakPolarHBondContact OD1-CB 3.48Å; N361-R364 WeakPolarHBondContact OD1-CG 3.43Å; N361-R364 PolarHBondContact OD1-N 3.19Å; N361-A365 WeakPolarHBondContact O-CB 3.47Å; N361-A365 PolarHBondContact O-N 3.26Å
362L89.8Confident89.2Confident54 Ų5468.8 Ų68.828%0.28336%0.362SS..Hα-helixtrans-58.5-48.5-174.1-179.958.1000112.3F298 R364 A365 Q366F298-L362 HydrophobicContact CD1-CD1 4.11Å; F298-L362 HydrophobicContact CE1-CD1 3.55Å; F298-L362 HydrophobicContact CZ-CD1 4.48Å; L362-R364 PolarHBondContact O-N 3.38Å; L362-A365 WeakPolarHBondContact O-CB 3.41Å; L362-A365 PolarHBondContact O-N 3.46Å; L362-Q366 HydrophobicContact CD1-CG 4.04Å; L362-Q366 HydrophobicContact CG-CG 4.41Å; L362-Q366 WeakPolarHBondContact O-CB 3.26Å; L362-Q366 WeakPolarHBondContact O-CG 3.44Å; L362-Q366 PolarHBondContact O-N 2.91Å
363A90.3Very high88.8Confident42 Ų4266 Ų6635%0.34735%0.351SS..Hα-helixtrans-61-47.5-176.700000112.3N361 A365 Q366 Q367N361-A363 PolarHBondContact O-N 3.09Å; N361-A363 PolarHBondContact OD1-N 3.21Å; A363-A365 VanDerWaalsContact C-N 3.34Å; A363-A365 PolarHBondContact O-N 2.88Å; A363-Q366 PolarHBondContact O-N 3.07Å; A363-Q367 WeakPolarHBondContact O-CB 3.27Å; A363-Q367 PolarHBondContact O-N 2.96Å
364R92.3Very high88.5Confident125 Ų12568.5 Ų68.547%0.47236%0.364SS..Hα-helixtrans-64.5-39.1176.9-71.4-176.6-179.5174-3.1111.9Q359 N361 L362 Q367 S368Q359-R364 PolarHBondContact O-NH1 3.48Å; N361-R364 WeakPolarHBondContact ND2-CD 3.45Å; N361-R364 PolarHBondContact O-N 2.76Å; N361-R364 WeakPolarHBondContact OD1-CB 3.48Å; N361-R364 WeakPolarHBondContact OD1-CG 3.43Å; N361-R364 PolarHBondContact OD1-N 3.19Å; L362-R364 PolarHBondContact O-N 3.38Å; R364-Q367 PolarHBondContact O-N 3.1Å; R364-S368 WeakPolarHBondContact O-CB 3.47Å; R364-S368 PolarHBondContact O-N 3.5Å; R364-S368 PolarHBondContact O-OG 3.08Å
365A94Very high88.4Confident0 Ų069 Ų690%035%0.346CS..Hα-helixtrans-63.1-44.6175.500000111.2F298 R300 A316 N361 L362 A363 Q367 S368 Y369F298-A365 HydrophobicContact CE1-CB 4.38Å; F298-A365 HydrophobicContact CZ-CB 3.81Å; R300-A365 HydrophobicContact CB-CB 4.04Å; A316-A365 HydrophobicContact CB-CB 4.09Å; A316-A365 VanDerWaalsContact CB-O 3.3Å; A316-A365 WeakPolarHBondContact CB-O 3.35Å; N361-A365 WeakPolarHBondContact O-CB 3.47Å; N361-A365 PolarHBondContact O-N 3.26Å; L362-A365 WeakPolarHBondContact O-CB 3.41Å; L362-A365 PolarHBondContact O-N 3.46Å; A363-A365 VanDerWaalsContact C-N 3.34Å; A363-A365 PolarHBondContact O-N 2.88Å; A365-Q367 PolarHBondContact O-N 2.6Å; A365-S368 PolarHBondContact O-N 2.97Å; A365-Y369 WeakPolarHBondContact O-CB 3.42Å; A365-Y369 PolarHBondContact O-N 3.46Å
366Q92.1Very high88.3Confident80 Ų8069.8 Ų69.837%0.37435%0.345SS..Hα-helixtrans-63.3-42.1177.7-74.1173.7-22.900111.8F298 L362 A363 Y369 K370F298-Q366 HydrophobicContact CE1-CG 4.01Å; F298-Q366 HydrophobicContact CE2-CG 4.2Å; F298-Q366 HydrophobicContact CZ-CB 4.46Å; F298-Q366 HydrophobicContact CZ-CG 3.72Å; L362-Q366 HydrophobicContact CD1-CG 4.04Å; L362-Q366 HydrophobicContact CG-CG 4.41Å; L362-Q366 WeakPolarHBondContact O-CB 3.26Å; L362-Q366 WeakPolarHBondContact O-CG 3.44Å; L362-Q366 PolarHBondContact O-N 2.91Å; A363-Q366 PolarHBondContact O-N 3.07Å; Q366-Y369 PolarHBondContact O-N 3.39Å; Q366-K370 WeakPolarHBondContact O-CG 3.31Å; Q366-K370 PolarHBondContact O-N 3.28Å
367Q92.7Very high88.1Confident127 Ų12770.1 Ų70.159%0.59334%0.343SS*.Hα-helixtrans-62.1-45.9175.8-172.9-178.212.500111.8A363 R364 A365 Y369 K370 S371A363-Q367 WeakPolarHBondContact O-CB 3.27Å; A363-Q367 PolarHBondContact O-N 2.96Å; R364-Q367 PolarHBondContact O-N 3.1Å; A365-Q367 PolarHBondContact O-N 2.6Å; Q367-Y369 VanDerWaalsContact C-N 3.3Å; Q367-Y369 PolarHBondContact O-N 3.25Å; Q367-K370 PolarHBondContact O-N 3.07Å; Q367-S371 PolarHBondContact O-N 3.43Å; Q367-S371 PolarHBondContact O-OG 3.27Å
368S92.6Very high88.2Confident28 Ų2871.8 Ų71.820%0.19635%0.35CS..Hα-helixtrans-61-39.8174.9-69.20000111.9G313 R364 A365 S371 L372G313-S368 WeakPolarHBondContact O-CB 3.41Å; G313-S368 PolarHBondContact O-OG 3.35Å; R364-S368 WeakPolarHBondContact O-CB 3.47Å; R364-S368 PolarHBondContact O-N 3.5Å; R364-S368 PolarHBondContact O-OG 3.08Å; A365-S368 PolarHBondContact O-N 2.97Å; S368-S371 PolarHBondContact O-N 2.98Å; S368-L372 VanDerWaalsContact O-CB 3.29Å; S368-L372 WeakPolarHBondContact O-CB 2.87Å; S368-L372 PolarHBondContact O-N 2.9Å
369Y91.5Very high88.2Confident50 Ų5071.6 Ų71.620%0.19635%0.349CS..Hα-helixtrans-66.5-46.3176.2179.7-94.7000112.5F298 L322 T323 A365 Q366 Q367 S371 L372 V373F298-Y369 HydrophobicContact CD2-CG 4.31Å; F298-Y369 HydrophobicContact CE2-CD1 4.44Å; F298-Y369 HydrophobicContact CE2-CD2 4.39Å; F298-Y369 AromaticContact CE2-CG 3.97Å; F298-Y369 HydrophobicContact CE2-CG 3.97Å; L322-Y369 WeakPolarHBondContact O-CE2 3.46Å; L322-Y369 PolarHBondContact O-OH 3.14Å; T323-Y369 HydrophobicContact CG2-CE2 4.32Å; A365-Y369 WeakPolarHBondContact O-CB 3.42Å; A365-Y369 PolarHBondContact O-N 3.46Å; Q366-Y369 PolarHBondContact O-N 3.39Å; Q367-Y369 VanDerWaalsContact C-N 3.3Å; Q367-Y369 PolarHBondContact O-N 3.25Å; Y369-S371 VanDerWaalsContact C-N 3.27Å; Y369-S371 PolarHBondContact O-N 3.47Å; Y369-L372 WeakPolarHBondContact O-CB 3.33Å; Y369-L372 PolarHBondContact O-N 3.19Å; Y369-V373 HydrophobicContact CD1-CG2 4.19Å; Y369-V373 HydrophobicContact CE1-CG2 3.75Å; Y369-V373 HydrophobicContact CE2-CG2 4.16Å; Y369-V373 WeakPolarHBondContact O-CG2 3.49Å; Y369-V373 PolarHBondContact O-N 3.48Å
370K90.4Very high87.8Confident97 Ų9770.1 Ų70.142%0.42235%0.352SS..Hα-helixtrans-54.9-46.1174.8-73.9179.8-176.8-176.70110.4D66 Q366 Q367 V373 Q374D66-K370 VanDerWaalsContact CG-NZ 3.26Å; D66-K370 IonicContact OD1-NZ 3.09Å; D66-K370 PolarHBondContact OD1-NZ 3.41Å; D66-K370 IonicContact OD2-NZ 2.82Å; D66-K370 PolarHBondContact OD2-NZ 3.5Å; Q366-K370 WeakPolarHBondContact O-CG 3.31Å; Q366-K370 PolarHBondContact O-N 3.28Å; Q367-K370 PolarHBondContact O-N 3.07Å; K370-V373 PolarHBondContact O-N 2.91Å; K370-Q374 WeakPolarHBondContact O-CG 3.23Å; K370-Q374 PolarHBondContact O-N 3.35Å
371S89.1Confident87.3Confident53 Ų5372 Ų7237%0.37136%0.359SS..Hα-helixtrans-64.2-43.4178-540000112.1Q367 S368 Y369 Q374 I375Q367-S371 PolarHBondContact O-N 3.43Å; Q367-S371 PolarHBondContact O-OG 3.27Å; S368-S371 PolarHBondContact O-N 2.98Å; Y369-S371 VanDerWaalsContact C-N 3.27Å; Y369-S371 PolarHBondContact O-N 3.47Å; S371-Q374 PolarHBondContact O-N 3.12Å; S371-I375 VanDerWaalsContact O-CG1 3.28Å; S371-I375 WeakPolarHBondContact O-CG1 3.44Å; S371-I375 PolarHBondContact O-N 3.01Å; S371-I375 VanDerWaalsContact O-N 3.1Å
372L88.8Confident86.5Confident9 Ų978.4 Ų78.45%0.04738%0.381CS..Hα-helixtrans-58.3-49.6177.2170.6146.7000111.8L312 C318 T323 S368 Y369 Q374 I375 H376 W381L312-L372 HydrophobicContact CD1-CB 4.17Å; L312-L372 HydrophobicContact CD1-CD1 3.67Å; C318-L372 HydrophobicContact CB-CD1 3.37Å; C318-L372 WeakPolarHBondContact SG-CD1 3.46Å; T323-L372 HydrophobicContact CG2-CD2 3.71Å; S368-L372 VanDerWaalsContact O-CB 3.29Å; S368-L372 WeakPolarHBondContact O-CB 2.87Å; S368-L372 PolarHBondContact O-N 2.9Å; Y369-L372 WeakPolarHBondContact O-CB 3.33Å; Y369-L372 PolarHBondContact O-N 3.19Å; L372-Q374 VanDerWaalsContact C-N 3.31Å; L372-Q374 PolarHBondContact O-N 3.47Å; L372-I375 PolarHBondContact O-N 3.18Å; L372-H376 PolarHBondContact O-CD2 3.09Å; L372-H376 PolarHBondContact O-N 2.77Å; L372-W381 HydrophobicContact CD1-CH2 4.36Å; L372-W381 HydrophobicContact CD2-CH2 3.97Å; L372-W381 HydrophobicContact CD2-CZ2 3.99Å; L372-W381 HydrophobicContact CG-CH2 4.47Å
373V85.7Confident85.4Confident22 Ų2280.9 Ų80.913%0.13340%0.399CS..Hα-helixtrans-60.6-44-177.5172.50000110.2T323 Y369 K370 I375 H376 E377T323-V373 HydrophobicContact CG2-CG2 4.19Å; Y369-V373 HydrophobicContact CD1-CG2 4.19Å; Y369-V373 HydrophobicContact CE1-CG2 3.75Å; Y369-V373 HydrophobicContact CE2-CG2 4.16Å; Y369-V373 WeakPolarHBondContact O-CG2 3.49Å; Y369-V373 PolarHBondContact O-N 3.48Å; K370-V373 PolarHBondContact O-N 2.91Å; V373-I375 PolarHBondContact O-N 3.08Å; V373-H376 PolarHBondContact O-N 3.02Å; V373-E377 HydrophobicContact CG1-CG 4.19Å; V373-E377 WeakPolarHBondContact CG1-OE1 3.5Å; V373-E377 VanDerWaalsContact O-CB 3.3Å; V373-E377 WeakPolarHBondContact O-CB 3.49Å; V373-E377 VanDerWaalsContact O-CG 3.27Å; V373-E377 WeakPolarHBondContact O-CG 3.35Å; V373-E377 PolarHBondContact O-N 2.76Å
374Q84.9Confident83.8Confident134 Ų13480.5 Ų80.563%0.62639%0.393SS*.Hα-helixtrans-61.4-41177.2-70175.5-6.600113.1K370 S371 L372 K378K370-Q374 WeakPolarHBondContact O-CG 3.23Å; K370-Q374 PolarHBondContact O-N 3.35Å; S371-Q374 PolarHBondContact O-N 3.12Å; L372-Q374 VanDerWaalsContact C-N 3.31Å; L372-Q374 PolarHBondContact O-N 3.47Å; Q374-K378 PolarHBondContact O-N 3.33Å
375I84.3Confident82.2Confident93 Ų9377.6 Ų77.648%0.47739%0.39SS..Hα-helixtrans-67.6-45.6180-67.7168.8000110.6S371 L372 V373 K378 N379S371-I375 VanDerWaalsContact O-CG1 3.28Å; S371-I375 WeakPolarHBondContact O-CG1 3.44Å; S371-I375 PolarHBondContact O-N 3.01Å; S371-I375 VanDerWaalsContact O-N 3.1Å; L372-I375 PolarHBondContact O-N 3.18Å; V373-I375 PolarHBondContact O-N 3.08Å; I375-K378 PolarHBondContact O-N 2.96Å; I375-N379 WeakPolarHBondContact O-CB 3.38Å; I375-N379 PolarHBondContact O-N 3.11Å; I375-N379 PolarHBondContact O-ND2 2.96Å
376H82.5Confident80.4Confident45 Ų4587.5 Ų87.521%0.20843%0.433CS..Hα-helixtrans-78-27.1-177.2-76.2-78.4000113.5L372 V373 K378 G380 W381L372-H376 PolarHBondContact O-CD2 3.09Å; L372-H376 PolarHBondContact O-N 2.77Å; V373-H376 PolarHBondContact O-N 3.02Å; H376-K378 PolarHBondContact O-N 3.11Å; H376-G380 PolarHBondContact ND1-O 3.5Å; H376-G380 VanDerWaalsContact O-CA 3.23Å; H376-G380 WeakPolarHBondContact O-CA 3.47Å; H376-G380 PolarHBondContact O-N 2.88Å; H376-W381 HydrophobicContact CB-CD2 4.32Å; H376-W381 HydrophobicContact CB-CZ2 3.99Å; H376-W381 AromaticContact CE1-CE3 3.91Å; H376-W381 AromaticContact CG-CE2 3.78Å; H376-W381 AromaticContact CG-CZ2 3.85Å; H376-W381 AromaticContact ND1-CD2 3.71Å; H376-W381 AromaticContact ND1-CE2 3.98Å; H376-W381 AromaticContact ND1-CE3 3.83Å
377E81.3Confident78.5Confident115 Ų11592.6 Ų92.654%0.53746%0.457SS..Hα-helixtrans-61-35.6168-81.6178.6175.300111.7Q325 V373Q325-E377 PolarHBondContact NE2-OE1 2.91Å; V373-E377 HydrophobicContact CG1-CG 4.19Å; V373-E377 WeakPolarHBondContact CG1-OE1 3.5Å; V373-E377 VanDerWaalsContact O-CB 3.3Å; V373-E377 WeakPolarHBondContact O-CB 3.49Å; V373-E377 VanDerWaalsContact O-CG 3.27Å; V373-E377 WeakPolarHBondContact O-CG 3.35Å; V373-E377 PolarHBondContact O-N 2.76Å
378K77.7Confident76.6Confident177 Ų17791.5 Ų91.577%0.7746%0.455SS*.Hα-helixtrans-82.4-40.5179.6-169.4178.7179.1179.90113.3Q374 I375 H376Q374-K378 PolarHBondContact O-N 3.33Å; I375-K378 PolarHBondContact O-N 2.96Å; H376-K378 PolarHBondContact O-N 3.11Å
379N79.8Confident74.2Confident120 Ų12095 Ų9564%0.64250%0.496SS*.Hα-helixtrans-107.4-8.6-168.2-61.3-30000114.1I375I375-N379 WeakPolarHBondContact O-CB 3.38Å; I375-N379 PolarHBondContact O-N 3.11Å; I375-N379 PolarHBondContact O-ND2 2.96Å
380G79.1Confident73.3Confident38 Ų3897.3 Ų97.339%0.39251%0.511SS..  trans78.5171.3-174.100000113.8H376H376-G380 PolarHBondContact ND1-O 3.5Å; H376-G380 VanDerWaalsContact O-CA 3.23Å; H376-G380 WeakPolarHBondContact O-CA 3.47Å; H376-G380 PolarHBondContact O-N 2.88Å
381W82.3Confident72.4Confident59 Ų5997.3 Ų97.322%0.22352%0.515CS..  trans-91130.4172.1-74.794.2000110.1E320 T323 L372 H376E320-W381 HydrophobicContact CB-CD2 3.62Å; E320-W381 HydrophobicContact CB-CE3 3.69Å; E320-W381 HydrophobicContact CB-CG 4.08Å; E320-W381 HydrophobicContact CB-CH2 4.33Å; E320-W381 HydrophobicContact CB-CZ2 4.27Å; E320-W381 HydrophobicContact CB-CZ3 4.04Å; E320-W381 HydrophobicContact CG-CB 4.38Å; E320-W381 HydrophobicContact CG-CD2 3.78Å; E320-W381 HydrophobicContact CG-CE3 4.36Å; E320-W381 HydrophobicContact CG-CG 3.74Å; T323-W381 HydrophobicContact CG2-CH2 4.15Å; T323-W381 HydrophobicContact CG2-CZ2 3.49Å; T323-W381 VanDerWaalsContact CG2-CZ2 3.49Å; L372-W381 HydrophobicContact CD1-CH2 4.36Å; L372-W381 HydrophobicContact CD2-CH2 3.97Å; L372-W381 HydrophobicContact CD2-CZ2 3.99Å; L372-W381 HydrophobicContact CG-CH2 4.47Å; H376-W381 HydrophobicContact CB-CD2 4.32Å; H376-W381 HydrophobicContact CB-CZ2 3.99Å; H376-W381 AromaticContact CE1-CE3 3.91Å; H376-W381 AromaticContact CG-CE2 3.78Å; H376-W381 AromaticContact CG-CZ2 3.85Å; H376-W381 AromaticContact ND1-CD2 3.71Å; H376-W381 AromaticContact ND1-CE2 3.98Å; H376-W381 AromaticContact ND1-CE3 3.83Å
382Y75.7Confident71.5Confident178 Ų17899.7 Ų99.770%0.69852%0.523SS*.  trans-98122.3172.8-179-100000109.2P384Y382-P384 HydrophobicContact CD1-CG 4.36Å; Y382-P384 HydrophobicContact CE1-CB 4.37Å; Y382-P384 HydrophobicContact CE1-CG 4.38Å; Y382-P384 WeakPolarHBondContact O-CD 3.48Å
383T65.8Low70.5Confident106 Ų106105.1 Ų105.165%0.6555%0.551SS**  trans-94.5112.5173.2-52.60000108.5
384P58.2Low69.5Low34 Ų34110.3 Ų110.322%0.22158%0.578CS.*  trans-59.5145.8177-2232.5000111.5Y382Y382-P384 HydrophobicContact CD1-CG 4.36Å; Y382-P384 HydrophobicContact CE1-CB 4.37Å; Y382-P384 HydrophobicContact CE1-CG 4.38Å; Y382-P384 WeakPolarHBondContact O-CD 3.48Å
385P58.8Low68.5Low64 Ų64108.7 Ų108.742%0.41657%0.574SS.*  trans-52.3151.8175.8-24.633.7000112.4E387 D388P385-E387 PolarHBondContact O-N 3.24Å; P385-D388 PolarHBondContact O-N 3.28Å
386K54.7Low67.4Low209 Ų209109.8 Ų109.891%0.90958%0.581SS**G310 helixtrans-61.8-17.8-178.7-69.1-176.4178.9179.60113.7
387E52.6Low66.2Low186 Ų186114.8 Ų114.887%0.86961%0.61SS**G310 helixtrans-83.7-11.7-173.5-58-179.6-16700113.7P385 G389P385-E387 PolarHBondContact O-N 3.24Å; E387-G389 VanDerWaalsContact C-N 3.31Å; E387-G389 PolarHBondContact O-N 3.2Å
388D52.7Low65Low105 Ų105114.8 Ų114.856%0.56162%0.616SS**G310 helixtrans-88.511.9-178-73.8-30.7000114.3P385P385-D388 PolarHBondContact O-N 3.28Å
389G42.4Very low63.8Low101 Ų101109.1 Ų109.1100%1.04160%0.602SS**  trans-104.90-176.700000113.2E387E387-G389 VanDerWaalsContact C-N 3.31Å; E387-G389 PolarHBondContact O-N 3.2Å

Retrieved 389 of 389 residues in 71.3 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).