A0A060XQJ9_ONCMY Loading...

Dual specificity protein phosphatase

AlphaFold DB (A0A674EKM2), UniProt , Accession A0A060XQJ9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 382 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.1Very low34.7Very low230 Ų230169.1 Ų169.1100%1.13384%0.841SS**  088.70-83.9171.8170.400107.7
2L41.3Very low35.1Very low175 Ų175162.8 Ų162.892%0.91683%0.826SS**  trans-92.3103.9164.4-89.594.7000106.2K4L2-K4 PolarHBondContact O-N 3.43Å
3D36.1Very low35.5Very low140 Ų140160.6 Ų160.675%0.74983%0.825SS**  trans-93.298.1173.8-88.3-40.8000111L5D3-L5 PolarHBondContact O-N 3.02Å
4K40.1Very low36.6Very low181 Ų181159.5 Ų159.579%0.78782%0.817SS**  trans28.186.7135.7-61.3-179-178.2177.50116.9L2 K6L2-K4 PolarHBondContact O-N 3.43Å; K4-K6 PolarHBondContact O-N 3.01Å
5L38Very low37.6Very low174 Ų174153.9 Ų153.991%0.91180%0.804SS**  trans-70.2101.3145.5-79.1158.6000108D3D3-L5 PolarHBondContact O-N 3.02Å
6K35.4Very low40Very low181 Ų181146.1 Ų146.179%0.78776%0.763SS**  trans-67.7130.5162.6-79.8-178.6175.6-1790107.9K4 V8K4-K6 PolarHBondContact O-N 3.01Å; K6-V8 PolarHBondContact O-N 2.95Å
7P30.1Very low42.7Very low117 Ų117139.3 Ų139.376%0.7673%0.73SS**  trans-64.7125.6166.526.6-29.3000107.8Q9P7-Q9 PolarHBondContact O-N 3.39Å
8V29.2Very low45.3Very low122 Ų122134.2 Ų134.274%0.73970%0.701SS**  trans-64104.2166.7176.50000106.1K6 F10K6-V8 PolarHBondContact O-N 2.95Å; V8-F10 HydrophobicContact CG1-CD2 4.36Å; V8-F10 HydrophobicContact CG1-CE2 4.48Å; V8-F10 PolarHBondContact O-N 2.87Å
9Q29.3Very low47.8Very low174 Ų174129.7 Ų129.781%0.81368%0.68SS**  trans-61.6104.2164.8-95.7172.5-38.100107.1P7 E11P7-Q9 PolarHBondContact O-N 3.39Å; Q9-E11 PolarHBondContact O-N 3.46Å; Q9-E11 VanDerWaalsContact O-N 3.14Å
10F30.9Very low50Low194 Ų194123.3 Ų123.385%0.85165%0.646SS**  trans-67.5102.5155.4-93.9-94.4000106.4V8 S12V8-F10 HydrophobicContact CG1-CD2 4.36Å; V8-F10 HydrophobicContact CG1-CE2 4.48Å; V8-F10 PolarHBondContact O-N 2.87Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.39Å
11E30.1Very low52Low172 Ų172121.4 Ų121.480%0.80464%0.635SS**  trans-6198.4169.8-81.7-179.9149.200109.2Q9 V13Q9-E11 PolarHBondContact O-N 3.46Å; Q9-E11 VanDerWaalsContact O-N 3.14Å; E11-V13 HydrophobicContact CB-CG2 4.34Å; E11-V13 PolarHBondContact O-N 3.32Å; E11-V13 VanDerWaalsContact O-N 3.1Å
12S39.8Very low54.5Low94 Ų94113 Ų11366%0.65759%0.59SS**  trans-68.690.9163.1-178.60000108.4F10 M14F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 3.39Å; S12-M14 PolarHBondContact O-N 3Å; S12-M14 VanDerWaalsContact OG-CG 3.29Å; S12-M14 WeakPolarHBondContact OG-CG 3.28Å
13V39.8Very low56.9Low134 Ų134104.7 Ų104.781%0.81255%0.547SS*.  trans-82.774.4172.8-172.30000108.6E11E11-V13 HydrophobicContact CB-CG2 4.34Å; E11-V13 PolarHBondContact O-N 3.32Å; E11-V13 VanDerWaalsContact O-N 3.1Å
14M51.1Low59.5Low145 Ų14599.7 Ų99.771%0.71452%0.519SS*.  trans-87113.3170.3-75.9-113.9-90.300110.2S12S12-M14 PolarHBondContact O-N 3Å; S12-M14 VanDerWaalsContact OG-CG 3.29Å; S12-M14 WeakPolarHBondContact OG-CG 3.28Å
15A52.1Low61.9Low75 Ų7596.4 Ų96.462%0.6251%0.506SS*.  trans-153.981.8143.900000107.3F130A15-F130 WeakPolarHBondContact O-CE1 3.44Å
16I75Confident64.3Low30 Ų3091.1 Ų91.115%0.15448%0.477CS..  trans-96.2-1.9-173.5-54.2-179000111.3L119 F130 Y131I16-L119 HydrophobicContact CG2-CD2 3.6Å; I16-L119 HydrophobicContact CG2-CG 4.48Å; I16-F130 WeakPolarHBondContact O-CA 3.33Å; I16-Y131 HydrophobicContact CB-CD1 4.48Å; I16-Y131 HydrophobicContact CB-CE1 4.17Å; I16-Y131 HydrophobicContact CG2-CD1 3.89Å; I16-Y131 HydrophobicContact CG2-CE1 4Å; I16-Y131 WeakPolarHBondContact O-CD1 3.45Å; I16-Y131 WeakPolarHBondContact O-CE1 3.47Å; I16-Y131 PolarHBondContact O-N 3.3Å
17S86.1Confident66.9Low30 Ų3083.4 Ų83.421%0.2144%0.444CS..EExtended strand (participates in β ladder)trans-127.6161.1-166.959.30000114Y131 E133S17-Y131 CarbonylContact C-O 3.59Å; S17-Y131 VanDerWaalsContact CA-O 3.28Å; S17-Y131 WeakPolarHBondContact CA-O 3.33Å; S17-Y131 VanDerWaalsContact CB-CE1 3.41Å; S17-Y131 VanDerWaalsContact CB-CZ 3.45Å; S17-E133 WeakPolarHBondContact CB-OE1 3.24Å; S17-E133 PolarHBondContact OG-OE1 3.45Å
18K90.9Very high69.5Low47 Ų4784.2 Ų84.220%0.20444%0.435CS..EExtended strand (participates in β ladder)trans-129.8142.4166.4-66.2-60.2-173.6-178.60109.1W22 V96 F130 Y131 L132 E133K18-W22 HydrophobicContact CB-CD2 4.19Å; K18-W22 HydrophobicContact CB-CE3 3.75Å; K18-W22 HydrophobicContact CB-CZ3 4.37Å; K18-W22 HydrophobicContact CD-CD2 3.6Å; K18-W22 HydrophobicContact CD-CE3 3.8Å; K18-W22 HydrophobicContact CD-CG 4.07Å; K18-W22 HydrophobicContact CD-CH2 4.39Å; K18-W22 HydrophobicContact CD-CZ2 4.18Å; K18-W22 HydrophobicContact CD-CZ3 4.21Å; K18-W22 HydrophobicContact CG-CD2 4.04Å; K18-W22 HydrophobicContact CG-CE3 3.68Å; K18-W22 HydrophobicContact CG-CH2 4.46Å; K18-W22 HydrophobicContact CG-CZ3 3.93Å; K18-V96 HydrophobicContact CG-CG2 4.32Å; K18-F130 HydrophobicContact CD-CG 4.48Å; K18-F130 HydrophobicContact CG-CB 3.77Å; K18-F130 HydrophobicContact CG-CD1 4.43Å; K18-F130 HydrophobicContact CG-CG 4.01Å; K18-Y131 PolarHBondContact N-O 3.17Å; K18-L132 WeakPolarHBondContact O-CA 3.38Å; K18-E133 PolarHBondContact O-N 2.91Å
19T91.8Very high71.9Confident50 Ų5081.3 Ų81.331%0.30742%0.418SS..  trans-78.1163.617679.90000110.9E21 W22 L23T19-E21 VanDerWaalsContact C-N 3.3Å; T19-E21 WeakPolarHBondContact CB-OE2 3.24Å; T19-E21 PolarHBondContact O-N 3.24Å; T19-E21 PolarHBondContact OG1-OE2 3.17Å; T19-W22 PolarHBondContact O-N 3.4Å; T19-W22 PolarHBondContact OG1-N 3.43Å; T19-L23 PolarHBondContact O-N 3.17Å; T19-L23 VanDerWaalsContact O-N 3.17Å
20V91.8Very high73.6Confident0 Ų081.9 Ų81.90%041%0.413CS..Hα-helixtrans-65.7-34177.8-68.30000112L23 Q24 L132 E133 K138 F139 E142 F143V20-L23 PolarHBondContact O-N 3.35Å; V20-Q24 WeakPolarHBondContact O-CB 3.2Å; V20-Q24 PolarHBondContact O-N 3.1Å; V20-L132 HydrophobicContact CG1-CD1 4.11Å; V20-L132 HydrophobicContact CG1-CD2 4.39Å; V20-L132 HydrophobicContact CG1-CG 4.15Å; V20-E133 WeakPolarHBondContact CG1-O 3.23Å; V20-K138 HydrophobicContact CG1-CB 4.32Å; V20-K138 HydrophobicContact CG1-CD 4.16Å; V20-K138 HydrophobicContact CG1-CG 4.16Å; V20-K138 HydrophobicContact CG2-CD 4.16Å; V20-K138 HydrophobicContact CG2-CG 4.31Å; V20-F139 HydrophobicContact CB-CB 4.46Å; V20-F139 HydrophobicContact CB-CD2 3.89Å; V20-F139 HydrophobicContact CG1-CB 3.89Å; V20-F139 HydrophobicContact CG1-CD2 4.07Å; V20-E142 VanDerWaalsContact CG2-OE2 3.26Å; V20-E142 WeakPolarHBondContact CG2-OE2 3.28Å; V20-F143 HydrophobicContact CB-CD2 4.36Å; V20-F143 HydrophobicContact CB-CE2 4Å; V20-F143 HydrophobicContact CG2-CE2 3.99Å
21E92.8Very high75Confident85 Ų8580.7 Ų80.740%0.39741%0.407SS..Hα-helixtrans-66.4-41.9175.9-52.678.8-17800110.9T19 L23 Q24 E25 F143T19-E21 VanDerWaalsContact C-N 3.3Å; T19-E21 WeakPolarHBondContact CB-OE2 3.24Å; T19-E21 PolarHBondContact O-N 3.24Å; T19-E21 PolarHBondContact OG1-OE2 3.17Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.22Å; E21-Q24 PolarHBondContact O-N 3.13Å; E21-E25 PolarHBondContact O-N 3.32Å; E21-F143 HydrophobicContact CB-CZ 4.48Å; E21-F143 HydrophobicContact CG-CE2 4.48Å; E21-F143 HydrophobicContact CG-CZ 4.14Å
22W92.6Very high76.7Confident54 Ų5479 Ų7921%0.20540%0.404CS..Hα-helixtrans-60.6-45.1176.1-177.492000111.2K18 T19 E25 H26 L34 T94 V96K18-W22 HydrophobicContact CB-CD2 4.19Å; K18-W22 HydrophobicContact CB-CE3 3.75Å; K18-W22 HydrophobicContact CB-CZ3 4.37Å; K18-W22 HydrophobicContact CD-CD2 3.6Å; K18-W22 HydrophobicContact CD-CE3 3.8Å; K18-W22 HydrophobicContact CD-CG 4.07Å; K18-W22 HydrophobicContact CD-CH2 4.39Å; K18-W22 HydrophobicContact CD-CZ2 4.18Å; K18-W22 HydrophobicContact CD-CZ3 4.21Å; K18-W22 HydrophobicContact CG-CD2 4.04Å; K18-W22 HydrophobicContact CG-CE3 3.68Å; K18-W22 HydrophobicContact CG-CH2 4.46Å; K18-W22 HydrophobicContact CG-CZ3 3.93Å; T19-W22 PolarHBondContact O-N 3.4Å; T19-W22 PolarHBondContact OG1-N 3.43Å; W22-E25 PolarHBondContact O-N 2.81Å; W22-H26 AromaticContact CD1-CE1 3.77Å; W22-H26 AromaticContact CD2-CE1 3.86Å; W22-H26 AromaticContact CD2-ND1 3.66Å; W22-H26 AromaticContact CE2-CE1 3.2Å; W22-H26 AromaticContact CE2-ND1 3.45Å; W22-H26 AromaticContact CE2-NE2 3.62Å; W22-H26 HydrophobicContact CH2-CB 4.5Å; W22-H26 AromaticContact CH2-CD2 3.82Å; W22-H26 AromaticContact CH2-CG 3.87Å; W22-H26 AromaticContact CZ2-CD2 3.6Å; W22-H26 AromaticContact CZ2-CE1 3.45Å; W22-H26 VanDerWaalsContact CZ2-CE1 3.45Å; W22-H26 WeakPolarHBondContact CZ2-CE1 3.48Å; W22-H26 AromaticContact CZ2-CG 3.83Å; W22-H26 AromaticContact CZ2-ND1 3.72Å; W22-H26 AromaticContact CZ2-NE2 3.34Å; W22-H26 VanDerWaalsContact CZ2-NE2 3.34Å; W22-H26 WeakPolarHBondContact CZ2-NE2 3.35Å; W22-H26 HydrophobicContact CZ3-CB 4.45Å; W22-H26 AromaticContact NE1-CE1 3.16Å; W22-H26 PolarHBondContact NE1-CE1 3.29Å; W22-H26 AromaticContact NE1-ND1 3.74Å; W22-H26 AromaticContact NE1-NE2 3.79Å; W22-H26 PolarHBondContact O-N 2.9Å; W22-H26 PolarHBondContact O-ND1 3.05Å; W22-L34 HydrophobicContact CH2-CD1 4.28Å; W22-L34 HydrophobicContact CZ3-CD1 4.14Å; W22-T94 HydrophobicContact CH2-CG2 3.99Å; W22-V96 HydrophobicContact CZ3-CG2 3.81Å
23L91.8Very high78.5Confident0 Ų077.5 Ų77.50%039%0.393CS..Hα-helixtrans-62.9-45.3178.7178.559.5000110.7T19 V20 E21 E25 H26 L27 L34 V36 V50 V96 L132 F139T19-L23 PolarHBondContact O-N 3.17Å; T19-L23 VanDerWaalsContact O-N 3.17Å; V20-L23 PolarHBondContact O-N 3.35Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.22Å; L23-E25 PolarHBondContact O-N 3.34Å; L23-H26 PolarHBondContact O-N 3.49Å; L23-L27 HydrophobicContact CD1-CD1 4.24Å; L23-L27 HydrophobicContact CD1-CG 4.24Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 HydrophobicContact CG-CG 4.45Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.31Å; L23-L34 HydrophobicContact CD1-CD1 4.48Å; L23-L34 HydrophobicContact CD1-CD2 3.78Å; L23-V36 HydrophobicContact CD1-CG2 3.96Å; L23-V50 HydrophobicContact CD2-CG1 4.38Å; L23-V96 HydrophobicContact CD1-CG1 4.5Å; L23-V96 HydrophobicContact CD2-CG1 4.5Å; L23-L132 HydrophobicContact CB-CD1 3.87Å; L23-L132 HydrophobicContact CD2-CD1 3.65Å; L23-L132 HydrophobicContact CD2-CD2 3.63Å; L23-L132 HydrophobicContact CD2-CG 4.26Å; L23-L132 HydrophobicContact CG-CD1 4.4Å; L23-F139 HydrophobicContact CB-CD2 4.45Å; L23-F139 HydrophobicContact CB-CE2 4.01Å; L23-F139 HydrophobicContact CD2-CD2 3.88Å; L23-F139 HydrophobicContact CD2-CE2 3.75Å; L23-F139 HydrophobicContact CD2-CZ 4.36Å; L23-F139 HydrophobicContact CG-CD2 4.37Å; L23-F139 HydrophobicContact CG-CE2 3.8Å; L23-F139 HydrophobicContact CG-CZ 4.4Å
24Q91.7Very high80.8Confident34 Ų3472 Ų7216%0.15936%0.359CS..Hα-helixtrans-57.3-46177.9-179.1-106.755.600112.6V20 E21 H26 L27 K28 F139 F143 Q146V20-Q24 WeakPolarHBondContact O-CB 3.2Å; V20-Q24 PolarHBondContact O-N 3.1Å; E21-Q24 PolarHBondContact O-N 3.13Å; Q24-H26 VanDerWaalsContact C-N 3.3Å; Q24-H26 PolarHBondContact O-N 3.07Å; Q24-L27 PolarHBondContact O-N 3.4Å; Q24-K28 WeakPolarHBondContact O-CG 3.37Å; Q24-K28 PolarHBondContact O-N 3.24Å; Q24-F139 HydrophobicContact CB-CE2 4.26Å; Q24-F143 HydrophobicContact CB-CD1 4.2Å; Q24-F143 HydrophobicContact CB-CD2 3.93Å; Q24-F143 HydrophobicContact CB-CE1 4.25Å; Q24-F143 HydrophobicContact CB-CE2 3.99Å; Q24-F143 HydrophobicContact CB-CG 4.03Å; Q24-F143 HydrophobicContact CB-CZ 4.15Å; Q24-F143 HydrophobicContact CG-CB 4.46Å; Q24-F143 HydrophobicContact CG-CD1 3.65Å; Q24-F143 HydrophobicContact CG-CD2 4.26Å; Q24-F143 HydrophobicContact CG-CE1 3.9Å; Q24-F143 HydrophobicContact CG-CE2 4.48Å; Q24-F143 HydrophobicContact CG-CG 3.85Å; Q24-F143 HydrophobicContact CG-CZ 4.3Å; Q24-Q146 PolarHBondContact O-NE2 3.31Å
25E89.8Confident82.6Confident113 Ų11365.2 Ų65.253%0.52833%0.325SS..Hα-helixtrans-63-39.4-179.5-171.3-177.8-179.300111.2E21 W22 L23 K28 T29E21-E25 PolarHBondContact O-N 3.32Å; W22-E25 PolarHBondContact O-N 2.81Å; L23-E25 PolarHBondContact O-N 3.34Å; E25-K28 PolarHBondContact O-N 3.09Å; E25-T29 HydrophobicContact CG-CG2 4.49Å; E25-T29 WeakPolarHBondContact O-CB 3.38Å; E25-T29 VanDerWaalsContact O-CG2 3.29Å; E25-T29 WeakPolarHBondContact O-CG2 3.49Å; E25-T29 PolarHBondContact O-N 3.11Å; E25-T29 PolarHBondContact O-OG1 3.36Å
26H89.4Confident84.5Confident63 Ų6361.8 Ų61.829%0.29230%0.296SS..Hα-helixtrans-73.1-32.6179-73.467.8000112.6W22 L23 Q24 T29 L34W22-H26 AromaticContact CD1-CE1 3.77Å; W22-H26 AromaticContact CD2-CE1 3.86Å; W22-H26 AromaticContact CD2-ND1 3.66Å; W22-H26 AromaticContact CE2-CE1 3.2Å; W22-H26 AromaticContact CE2-ND1 3.45Å; W22-H26 AromaticContact CE2-NE2 3.62Å; W22-H26 HydrophobicContact CH2-CB 4.5Å; W22-H26 AromaticContact CH2-CD2 3.82Å; W22-H26 AromaticContact CH2-CG 3.87Å; W22-H26 AromaticContact CZ2-CD2 3.6Å; W22-H26 AromaticContact CZ2-CE1 3.45Å; W22-H26 VanDerWaalsContact CZ2-CE1 3.45Å; W22-H26 WeakPolarHBondContact CZ2-CE1 3.48Å; W22-H26 AromaticContact CZ2-CG 3.83Å; W22-H26 AromaticContact CZ2-ND1 3.72Å; W22-H26 AromaticContact CZ2-NE2 3.34Å; W22-H26 VanDerWaalsContact CZ2-NE2 3.34Å; W22-H26 WeakPolarHBondContact CZ2-NE2 3.35Å; W22-H26 HydrophobicContact CZ3-CB 4.45Å; W22-H26 AromaticContact NE1-CE1 3.16Å; W22-H26 PolarHBondContact NE1-CE1 3.29Å; W22-H26 AromaticContact NE1-ND1 3.74Å; W22-H26 AromaticContact NE1-NE2 3.79Å; W22-H26 PolarHBondContact O-N 2.9Å; W22-H26 PolarHBondContact O-ND1 3.05Å; L23-H26 PolarHBondContact O-N 3.49Å; Q24-H26 VanDerWaalsContact C-N 3.3Å; Q24-H26 PolarHBondContact O-N 3.07Å; H26-T29 PolarHBondContact O-OG1 2.95Å; H26-L34 HydrophobicContact CB-CD2 3.91Å
27L88.3Confident85.3Confident19 Ų1960.3 Ų60.310%0.09929%0.289CS..Hα-helixtrans-66.5-41.1171.4-70.2169.2000111.5L23 Q24 L34 V36 V50 F139L23-L27 HydrophobicContact CD1-CD1 4.24Å; L23-L27 HydrophobicContact CD1-CG 4.24Å; L23-L27 HydrophobicContact CG-CD1 3.99Å; L23-L27 HydrophobicContact CG-CG 4.45Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 3.31Å; Q24-L27 PolarHBondContact O-N 3.4Å; L27-L34 HydrophobicContact CD2-CD2 4.11Å; L27-L34 HydrophobicContact CG-CD2 4.36Å; L27-V36 HydrophobicContact CD2-CG2 4.36Å; L27-V50 HydrophobicContact CD1-CG1 3.59Å; L27-F139 HydrophobicContact CD1-CE2 4.42Å; L27-F139 HydrophobicContact CD1-CZ 3.73Å
28K85.3Confident85.5Confident133 Ų13358.9 Ų58.958%0.57828%0.279SS*.Hα-helixtrans-69.2-41.5179.3-73.9-175175.1172.10113.6Q24 E25 R30 Q146Q24-K28 WeakPolarHBondContact O-CG 3.37Å; Q24-K28 PolarHBondContact O-N 3.24Å; E25-K28 PolarHBondContact O-N 3.09Å; K28-R30 PolarHBondContact O-N 2.85Å; K28-Q146 VanDerWaalsContact CG-NE2 3.28Å
29T79.4Confident85.4Confident62 Ų6257.2 Ų57.238%0.3827%0.273SS..Hα-helixtrans-73.3-14.5-17349.30000112.9E25 H26 K31E25-T29 HydrophobicContact CG-CG2 4.49Å; E25-T29 WeakPolarHBondContact O-CB 3.38Å; E25-T29 VanDerWaalsContact O-CG2 3.29Å; E25-T29 WeakPolarHBondContact O-CG2 3.49Å; E25-T29 PolarHBondContact O-N 3.11Å; E25-T29 PolarHBondContact O-OG1 3.36Å; H26-T29 PolarHBondContact O-OG1 2.95Å; T29-K31 PolarHBondContact O-N 3.21Å
30R66.3Low85.1Confident185 Ų18555.5 Ų55.570%0.69826%0.261SS*.  trans42.429.7-175.2-66.8-170.3176.4-173.5-2112.7K28 D32K28-R30 PolarHBondContact O-N 2.85Å; R30-D32 PolarHBondContact O-N 2.83Å
31K59.2Low84.7Confident169 Ų16958 Ų5874%0.73528%0.282SS*.  trans-79.386176.7-80.3-179.6178.6176.50106.1T29 C33T29-K31 PolarHBondContact O-N 3.21Å; K31-C33 PolarHBondContact O-N 3.44Å
32D65.6Low84.3Confident137 Ų13758.5 Ų58.573%0.73328%0.284SS*.SBendtrans-49.195.8-169.7-64.8-45.6000113.2R30R30-D32 PolarHBondContact O-N 2.83Å
33C78.7Confident83.8Confident62 Ų6262.1 Ų62.142%0.41930%0.303SS..  trans-166.533.2159.3-98.80000111K31 D93 T94K31-C33 PolarHBondContact O-N 3.44Å; C33-D93 VanDerWaalsContact CA-OD2 3.26Å; C33-D93 WeakPolarHBondContact CA-OD2 3.32Å; C33-D93 CarbonylContact O-C 3.55Å; C33-D93 WeakPolarHBondContact O-CA 3.33Å; C33-D93 WeakPolarHBondContact O-CB 3.43Å; C33-T94 PolarHBondContact O-N 3.07Å
34L88.1Confident83.5Confident20 Ų2065.6 Ų65.611%0.10532%0.321CS..EExtended strand (participates in β ladder)trans-120.6128.6-179.4178.966.6000112.1W22 L23 H26 L27 V36 R89 T94 V96W22-L34 HydrophobicContact CH2-CD1 4.28Å; W22-L34 HydrophobicContact CZ3-CD1 4.14Å; L23-L34 HydrophobicContact CD1-CD1 4.48Å; L23-L34 HydrophobicContact CD1-CD2 3.78Å; H26-L34 HydrophobicContact CB-CD2 3.91Å; L27-L34 HydrophobicContact CD2-CD2 4.11Å; L27-L34 HydrophobicContact CG-CD2 4.36Å; L34-V36 HydrophobicContact CD1-CG2 4.35Å; L34-V36 HydrophobicContact CD2-CG2 3.91Å; L34-V36 HydrophobicContact CG-CG2 3.91Å; L34-R89 PolarHBondContact O-NH1 3.37Å; L34-R89 PolarHBondContact O-NH2 3.16Å; L34-T94 WeakPolarHBondContact CA-O 3.45Å; L34-V96 HydrophobicContact CD1-CB 4.39Å; L34-V96 HydrophobicContact CD1-CG2 3.76Å
35L89.1Confident83.3Confident2 Ų266 Ų661%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-116.2124.8168.2-166.496.7000109M37 I54 F86 T94 I95 V96L35-M37 HydrophobicContact CD2-CG 3.78Å; L35-M37 HydrophobicContact CD2-SD 3.68Å; L35-M37 HydrophobicContact CG-CG 4.47Å; L35-I54 HydrophobicContact CD1-CD1 3.85Å; L35-I54 HydrophobicContact CG-CD1 4.36Å; L35-F86 HydrophobicContact CD2-CD2 3.47Å; L35-F86 VanDerWaalsContact CD2-CD2 3.47Å; L35-F86 HydrophobicContact CD2-CE2 3.89Å; L35-T94 PolarHBondContact N-O 3.13Å; L35-I95 HydrophobicContact CB-CG1 4.26Å; L35-I95 HydrophobicContact CD2-CG1 4.23Å; L35-I95 HydrophobicContact CD2-CG2 4.21Å; L35-I95 CarbonylContact O-C 3.59Å; L35-I95 WeakPolarHBondContact O-CA 3.33Å; L35-V96 PolarHBondContact O-N 2.82Å
36V91.6Very high83.2Confident2 Ų265.3 Ų65.31%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-106.8133.4178.6-173.30000109L23 L27 L34 V50 A53 I54 V96 Y98L23-V36 HydrophobicContact CD1-CG2 3.96Å; L27-V36 HydrophobicContact CD2-CG2 4.36Å; L34-V36 HydrophobicContact CD1-CG2 4.35Å; L34-V36 HydrophobicContact CD2-CG2 3.91Å; L34-V36 HydrophobicContact CG-CG2 3.91Å; V36-V50 HydrophobicContact CG1-CB 4.32Å; V36-V50 HydrophobicContact CG1-CG1 4.27Å; V36-A53 HydrophobicContact CB-CB 4.19Å; V36-A53 HydrophobicContact CG1-CB 3.85Å; V36-A53 WeakPolarHBondContact O-CA 3.39Å; V36-I54 PolarHBondContact O-N 3.29Å; V36-V96 CarbonylContact C-O 3.49Å; V36-V96 WeakPolarHBondContact CA-O 3.29Å; V36-Y98 HydrophobicContact CG1-CD1 3.93Å; V36-Y98 HydrophobicContact CG1-CE1 3.56Å
37M90.9Very high83Confident0 Ų065.6 Ų65.60%033%0.327CS..EExtended strand (participates in β ladder)trans-127.9121.6-177.1-61.7-175.782.400111.2L35 I54 V56 L77 F86 I95 V96 L97 Y98 M122L35-M37 HydrophobicContact CD2-CG 3.78Å; L35-M37 HydrophobicContact CD2-SD 3.68Å; L35-M37 HydrophobicContact CG-CG 4.47Å; M37-I54 CarbonylContact C-O 3.14Å; M37-I54 WeakPolarHBondContact CA-O 3.49Å; M37-V56 HydrophobicContact CB-CG2 3.91Å; M37-V56 HydrophobicContact CE-CG2 3.27Å; M37-V56 HydrophobicContact CG-CG2 4.36Å; M37-V56 HydrophobicContact SD-CG2 4.47Å; M37-L77 HydrophobicContact CE-CD2 4.21Å; M37-F86 HydrophobicContact CE-CD2 3.92Å; M37-F86 HydrophobicContact CE-CE2 3.86Å; M37-F86 HydrophobicContact SD-CD2 4.12Å; M37-F86 HydrophobicContact SD-CE2 3.82Å; M37-I95 HydrophobicContact CG-CG2 4.13Å; M37-I95 HydrophobicContact SD-CG2 3.64Å; M37-V96 PolarHBondContact N-O 2.84Å; M37-L97 HydrophobicContact CB-CG 4.24Å; M37-L97 WeakPolarHBondContact O-CA 3.46Å; M37-Y98 PolarHBondContact O-N 3.4Å; M37-M122 HydrophobicContact CE-CE 3.74Å; M37-M122 HydrophobicContact SD-CE 3.33Å; M37-M122 WeakPolarHBondContact SD-CE 3.34Å; M37-M122 HydrophobicContact SD-SD 4.38Å
38D90.7Very high83.1Confident0 Ų065 Ų650%033%0.325CS..EExtended strand (participates in β ladder)trans-89.2115176.8-164.9-36.3000109.5R40 Y45 A53 I54 N55 V56 Y98D38-R40 WeakPolarHBondContact OD1-CA 3.35Å; D38-R40 WeakPolarHBondContact OD1-CB 3.4Å; D38-R40 WeakPolarHBondContact OD1-CG 3.27Å; D38-R40 PolarHBondContact OD1-N 2.99Å; D38-R40 IonicContact OD1-NE 3.4Å; D38-R40 PolarHBondContact OD1-NE 3.42Å; D38-R40 VanDerWaalsContact OD1-NE 3.11Å; D38-R40 IonicContact OD2-CZ 2.64Å; D38-R40 IonicContact OD2-NE 2.66Å; D38-R40 PolarHBondContact OD2-NE 3.48Å; D38-R40 VanDerWaalsContact OD2-NE 3.13Å; D38-R40 IonicContact OD2-NH2 2.87Å; D38-R40 PolarHBondContact OD2-NH2 3.47Å; D38-Y45 HydrophobicContact CB-CD2 3.63Å; D38-Y45 HydrophobicContact CB-CE2 4.15Å; D38-Y45 WeakPolarHBondContact OD2-CD2 3.4Å; D38-A53 HydrophobicContact CB-CB 4.48Å; D38-I54 PolarHBondContact N-O 2.92Å; D38-N55 PolarHBondContact O-ND2 2.99Å; D38-V56 PolarHBondContact O-N 2.92Å; D38-Y98 HydrophobicContact CB-CE1 4.27Å; D38-Y98 HydrophobicContact CB-CE2 3.88Å; D38-Y98 WeakPolarHBondContact CB-OH 3.43Å; D38-Y98 VanDerWaalsContact CG-CZ 3.44Å; D38-Y98 VanDerWaalsContact CG-OH 3.23Å; D38-Y98 WeakPolarHBondContact OD2-CE2 2.87Å; D38-Y98 VanDerWaalsContact OD2-CZ 3.22Å; D38-Y98 PolarHBondContact OD2-OH 3.01Å
39C87.9Confident83.4Confident12 Ų1259 Ų598%0.08130%0.299CS..  trans-94.27.5-179.9-61.20000113.1Y98 V114 L115C39-Y98 VanDerWaalsContact CB-O 3.26Å; C39-Y98 WeakPolarHBondContact CB-O 3.41Å; C39-Y98 PolarHBondContact N-O 3.28Å; C39-V114 HydrophobicContact CB-CG1 4.14Å; C39-L115 HydrophobicContact CB-CB 4.35Å
40R86.9Confident84.1Confident14 Ų1456.1 Ų56.15%0.05328%0.281CS..SBendtrans-80.9167.7178.1-56.1179.9-66.9158.72.5111.2D38 L44 S48 N55 E100 F136D38-R40 WeakPolarHBondContact OD1-CA 3.35Å; D38-R40 WeakPolarHBondContact OD1-CB 3.4Å; D38-R40 WeakPolarHBondContact OD1-CG 3.27Å; D38-R40 PolarHBondContact OD1-N 2.99Å; D38-R40 IonicContact OD1-NE 3.4Å; D38-R40 PolarHBondContact OD1-NE 3.42Å; D38-R40 VanDerWaalsContact OD1-NE 3.11Å; D38-R40 IonicContact OD2-CZ 2.64Å; D38-R40 IonicContact OD2-NE 2.66Å; D38-R40 PolarHBondContact OD2-NE 3.48Å; D38-R40 VanDerWaalsContact OD2-NE 3.13Å; D38-R40 IonicContact OD2-NH2 2.87Å; D38-R40 PolarHBondContact OD2-NH2 3.47Å; R40-L44 HydrophobicContact CB-CB 4.13Å; R40-L44 HydrophobicContact CB-CD1 4.19Å; R40-S48 PolarHBondContact NH2-O 3.22Å; R40-N55 PolarHBondContact O-ND2 2.77Å; R40-E100 WeakPolarHBondContact CD-OE2 3.38Å; R40-E100 HydrophobicContact CG-CB 4.41Å; R40-E100 IonicContact CZ-OE2 2.73Å; R40-E100 IonicContact NE-OE2 3.94Å; R40-E100 IonicContact NH1-OE1 2.65Å; R40-E100 IonicContact NH1-OE2 2.82Å; R40-E100 PolarHBondContact NH1-OE2 3.27Å; R40-F136 VanDerWaalsContact CZ-CD1 3.48Å; R40-F136 VanDerWaalsContact CZ-CG 3.48Å
41A83.3Confident85.1Confident52 Ų5250.3 Ų50.343%0.4326%0.262SS..  trans-59.6148.9173.600000110.6E43 L44 Y45A41-E43 WeakPolarHBondContact CB-OE2 3.49Å; A41-E43 PolarHBondContact O-N 3.31Å; A41-L44 PolarHBondContact O-N 3.37Å; A41-Y45 PolarHBondContact O-N 2.86Å; A41-Y45 VanDerWaalsContact O-N 3.17Å
42Q83.3Confident86.4Confident96 Ų9644.6 Ų44.645%0.44924%0.242SC..Hα-helixtrans-57.4-35.4-173.6-179.7171.2-12.700111.8L44 Y45 E46Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 2.9Å; Q42-Y45 WeakPolarHBondContact O-CB 3.47Å; Q42-Y45 PolarHBondContact O-N 3.39Å; Q42-E46 HydrophobicContact CG-CG 4.23Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.33Å; Q42-E46 PolarHBondContact NE2-OE1 3.25Å; Q42-E46 WeakPolarHBondContact O-CB 3.44Å; Q42-E46 WeakPolarHBondContact O-CG 3.45Å; Q42-E46 PolarHBondContact O-N 3.33Å
43E82.9Confident87.6Confident130 Ų13038.2 Ų38.261%0.60721%0.208SC*.Hα-helixtrans-65.6-36.3-179.7-52.379.1-173.700112A41 S47A41-E43 WeakPolarHBondContact CB-OE2 3.49Å; A41-E43 PolarHBondContact O-N 3.31Å; E43-S47 PolarHBondContact O-N 3.4Å
44L84.3Confident88Confident73 Ų7335.3 Ų35.338%0.38219%0.188SC..Hα-helixtrans-71.2-42.2176.3-67.2174.7000110.7R40 A41 Q42 S47 S48R40-L44 HydrophobicContact CB-CB 4.13Å; R40-L44 HydrophobicContact CB-CD1 4.19Å; A41-L44 PolarHBondContact O-N 3.37Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 2.9Å; L44-S47 PolarHBondContact O-N 3.19Å; L44-S47 PolarHBondContact O-OG 3.07Å; L44-S48 PolarHBondContact O-N 3.11Å
45Y88.1Confident88.1Confident42 Ų4235.5 Ų35.517%0.16519%0.189CC..Hα-helixtrans-60.4-48174.9174.1-91.6000111.9D38 A41 Q42 S47 S48 H49 A53 N55D38-Y45 HydrophobicContact CB-CD2 3.63Å; D38-Y45 HydrophobicContact CB-CE2 4.15Å; D38-Y45 WeakPolarHBondContact OD2-CD2 3.4Å; A41-Y45 PolarHBondContact O-N 2.86Å; A41-Y45 VanDerWaalsContact O-N 3.17Å; Q42-Y45 WeakPolarHBondContact O-CB 3.47Å; Q42-Y45 PolarHBondContact O-N 3.39Å; Y45-S47 PolarHBondContact O-N 3.18Å; Y45-S48 CarbonylContact O-C 3.57Å; Y45-S48 PolarHBondContact O-N 3.41Å; Y45-H49 HydrophobicContact CD2-CB 3.42Å; Y45-H49 VanDerWaalsContact CD2-CB 3.42Å; Y45-H49 AromaticContact CD2-CG 3.57Å; Y45-H49 AromaticContact CE1-CE1 3.97Å; Y45-H49 HydrophobicContact CE2-CB 3.67Å; Y45-H49 AromaticContact CE2-CD2 3.36Å; Y45-H49 WeakPolarHBondContact CE2-CD2 3.43Å; Y45-H49 AromaticContact CE2-CG 3.37Å; Y45-H49 AromaticContact CE2-ND1 3.9Å; Y45-H49 AromaticContact CE2-NE2 3.89Å; Y45-H49 HydrophobicContact CG-CB 4.16Å; Y45-H49 AromaticContact CZ-CD2 3.57Å; Y45-H49 AromaticContact CZ-CE1 3.79Å; Y45-H49 AromaticContact CZ-CG 3.78Å; Y45-H49 AromaticContact CZ-ND1 3.9Å; Y45-H49 AromaticContact CZ-NE2 3.57Å; Y45-H49 PolarHBondContact O-ND1 2.85Å; Y45-H49 PolarHBondContact OH-NE2 3.35Å; Y45-A53 HydrophobicContact CE2-CB 4.35Å; Y45-A53 PolarHBondContact OH-O 3.04Å; Y45-N55 HydrophobicContact CD1-CB 3.77Å; Y45-N55 HydrophobicContact CD2-CB 3.65Å; Y45-N55 HydrophobicContact CE1-CB 3.95Å; Y45-N55 HydrophobicContact CE2-CB 3.8Å; Y45-N55 HydrophobicContact CG-CB 3.62Å
46E87.1Confident87.6Confident98 Ų9835.4 Ų35.446%0.45819%0.189SC..Hα-helixtrans-61.9-32.9179.3-75.5175.8-178.200112.4Q42 N150Q42-E46 HydrophobicContact CG-CG 4.23Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.33Å; Q42-E46 PolarHBondContact NE2-OE1 3.25Å; Q42-E46 WeakPolarHBondContact O-CB 3.44Å; Q42-E46 WeakPolarHBondContact O-CG 3.45Å; Q42-E46 PolarHBondContact O-N 3.33Å; E46-N150 PolarHBondContact O-ND2 3.25Å
47S86.4Confident86.3Confident69 Ų6936.5 Ų36.548%0.48320%0.198SC..Hα-helixtrans-69.3-44.417774.90000112.9E43 L44 Y45 N150E43-S47 PolarHBondContact O-N 3.4Å; L44-S47 PolarHBondContact O-N 3.19Å; L44-S47 PolarHBondContact O-OG 3.07Å; Y45-S47 PolarHBondContact O-N 3.18Å; S47-N150 PolarHBondContact O-N 3.3Å
48S89.6Confident85.2Confident7 Ų737.5 Ų37.55%0.04920%0.203CC..EExtended strand (participates in β ladder)trans-169.6132.1-176-173.90000109.4R40 L44 Y45 F136 Q140 E148 T149R40-S48 PolarHBondContact NH2-O 3.22Å; L44-S48 PolarHBondContact O-N 3.11Å; Y45-S48 CarbonylContact O-C 3.57Å; Y45-S48 PolarHBondContact O-N 3.41Å; S48-F136 WeakPolarHBondContact O-CZ 3.43Å; S48-F136 WeakPolarHBondContact OG-CZ 3.17Å; S48-Q140 PolarHBondContact OG-NE2 3.38Å; S48-E148 CarbonylContact C-O 3.58Å; S48-E148 WeakPolarHBondContact CA-O 3.11Å; S48-T149 VanDerWaalsContact OG-CG2 3.23Å; S48-T149 WeakPolarHBondContact OG-CG2 2.9Å
49H93.2Very high83.9Confident8 Ų840.7 Ų40.74%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-148.1166.4176.956.8-83000111.5Y45 C147 E148Y45-H49 HydrophobicContact CD2-CB 3.42Å; Y45-H49 VanDerWaalsContact CD2-CB 3.42Å; Y45-H49 AromaticContact CD2-CG 3.57Å; Y45-H49 AromaticContact CE1-CE1 3.97Å; Y45-H49 HydrophobicContact CE2-CB 3.67Å; Y45-H49 AromaticContact CE2-CD2 3.36Å; Y45-H49 WeakPolarHBondContact CE2-CD2 3.43Å; Y45-H49 AromaticContact CE2-CG 3.37Å; Y45-H49 AromaticContact CE2-ND1 3.9Å; Y45-H49 AromaticContact CE2-NE2 3.89Å; Y45-H49 HydrophobicContact CG-CB 4.16Å; Y45-H49 AromaticContact CZ-CD2 3.57Å; Y45-H49 AromaticContact CZ-CE1 3.79Å; Y45-H49 AromaticContact CZ-CG 3.78Å; Y45-H49 AromaticContact CZ-ND1 3.9Å; Y45-H49 AromaticContact CZ-NE2 3.57Å; Y45-H49 PolarHBondContact O-ND1 2.85Å; Y45-H49 PolarHBondContact OH-NE2 3.35Å; H49-C147 CarbonylContact O-C 3.57Å; H49-C147 WeakPolarHBondContact O-CA 3.44Å; H49-E148 IonicContact CE1-OE2 3.66Å; H49-E148 PolarHBondContact N-O 3.33Å; H49-E148 IonicContact NE2-OE2 3.54Å; H49-E148 PolarHBondContact NE2-OE2 3.14Å; H49-E148 PolarHBondContact O-N 2.81Å
50V92.3Very high82.4Confident0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-66.3139.1176.9179.30000109.2L23 L27 V36 T52 A53 Y98 F136 F139L23-V50 HydrophobicContact CD2-CG1 4.38Å; L27-V50 HydrophobicContact CD1-CG1 3.59Å; V36-V50 HydrophobicContact CG1-CB 4.32Å; V36-V50 HydrophobicContact CG1-CG1 4.27Å; V50-T52 PolarHBondContact O-N 2.63Å; V50-A53 HydrophobicContact CB-CB 4.27Å; V50-A53 WeakPolarHBondContact O-CB 3.14Å; V50-A53 PolarHBondContact O-N 2.82Å; V50-Y98 HydrophobicContact CB-CE1 3.89Å; V50-Y98 HydrophobicContact CG2-CD1 4.3Å; V50-Y98 HydrophobicContact CG2-CE1 3.57Å; V50-Y98 PolarHBondContact N-OH 3.17Å; V50-Y98 VanDerWaalsContact N-OH 3.15Å; V50-F136 HydrophobicContact CG2-CD2 3.87Å; V50-F136 HydrophobicContact CG2-CE2 3.96Å; V50-F139 HydrophobicContact CB-CE1 4.43Å; V50-F139 HydrophobicContact CG1-CE1 3.93Å; V50-F139 HydrophobicContact CG1-CZ 4.18Å; V50-F139 HydrophobicContact CG2-CD1 3.67Å; V50-F139 HydrophobicContact CG2-CE1 3.88Å; V50-F139 HydrophobicContact CG2-CG 4.29Å
51E88.1Confident80.8Confident63 Ų6347.6 Ų47.629%0.29426%0.263SS..THydrogen-bonded Turntrans-48.5132.4179.1-164.2-169.6170.200111.3A53 Q146 E148E51-A53 PolarHBondContact O-N 2.63Å; E51-Q146 PolarHBondContact N-O 3.49Å; E51-E148 WeakPolarHBondContact CA-OE1 3.26Å; E51-E148 HydrophobicContact CB-CG 4.49Å; E51-E148 HydrophobicContact CG-CG 4.33Å
52T86.1Confident79.7Confident50 Ų5047.2 Ų47.231%0.30725%0.253SS..THydrogen-bonded Turntrans66.24.7-179.682.90000116.9V50 R85 E148V50-T52 PolarHBondContact O-N 2.63Å; T52-R85 PolarHBondContact O-NH1 2.9Å; T52-E148 PolarHBondContact N-OE1 3.4Å
53A90.6Very high78.9Confident3 Ų344.6 Ų44.63%0.02524%0.242CC..PPolyproline II helixtrans-63.2147.1179.300000111.7V36 D38 Y45 V50 E51 Y98V36-A53 HydrophobicContact CB-CB 4.19Å; V36-A53 HydrophobicContact CG1-CB 3.85Å; V36-A53 WeakPolarHBondContact O-CA 3.39Å; D38-A53 HydrophobicContact CB-CB 4.48Å; Y45-A53 HydrophobicContact CE2-CB 4.35Å; Y45-A53 PolarHBondContact OH-O 3.04Å; V50-A53 HydrophobicContact CB-CB 4.27Å; V50-A53 WeakPolarHBondContact O-CB 3.14Å; V50-A53 PolarHBondContact O-N 2.82Å; E51-A53 PolarHBondContact O-N 2.63Å; A53-Y98 HydrophobicContact CB-CE1 4.18Å
54I88.6Confident77.9Confident0 Ų047.9 Ų47.90%025%0.249CC..EExtended strand (participates in β ladder)trans-102.4122.3174.6-61.8175.9000108L35 V36 M37 D38 V56 L77 D82 R85L35-I54 HydrophobicContact CD1-CD1 3.85Å; L35-I54 HydrophobicContact CG-CD1 4.36Å; V36-I54 PolarHBondContact O-N 3.29Å; M37-I54 CarbonylContact C-O 3.14Å; M37-I54 WeakPolarHBondContact CA-O 3.49Å; D38-I54 PolarHBondContact N-O 2.92Å; I54-V56 PolarHBondContact O-N 3.26Å; I54-L77 HydrophobicContact CG2-CD2 3.65Å; I54-D82 HydrophobicContact CD1-CB 4.36Å; I54-D82 HydrophobicContact CG1-CB 4.42Å; I54-D82 HydrophobicContact CG2-CB 3.73Å; I54-R85 HydrophobicContact CD1-CG 4.45Å
55N88.9Confident76.8Confident24 Ų2450.8 Ų50.813%0.12826%0.255CS..EExtended strand (participates in β ladder)trans-71.3128.9173.4-173.7-111000111.3D38 R40 Y45 A57D38-N55 PolarHBondContact O-ND2 2.99Å; R40-N55 PolarHBondContact O-ND2 2.77Å; Y45-N55 HydrophobicContact CD1-CB 3.77Å; Y45-N55 HydrophobicContact CD2-CB 3.65Å; Y45-N55 HydrophobicContact CE1-CB 3.95Å; Y45-N55 HydrophobicContact CE2-CB 3.8Å; Y45-N55 HydrophobicContact CG-CB 3.62Å; N55-A57 WeakPolarHBondContact OD1-CB 3.43Å; N55-A57 PolarHBondContact OD1-N 2.78Å
56V79.6Confident75.7Confident1 Ų149.1 Ų49.11%0.00625%0.249CC..  trans-107.769.6175.7-164.40000107.4M37 D38 I54 I58 L76 L77 L118M37-V56 HydrophobicContact CB-CG2 3.91Å; M37-V56 HydrophobicContact CE-CG2 3.27Å; M37-V56 HydrophobicContact CG-CG2 4.36Å; M37-V56 HydrophobicContact SD-CG2 4.47Å; D38-V56 PolarHBondContact O-N 2.92Å; I54-V56 PolarHBondContact O-N 3.26Å; V56-I58 HydrophobicContact CG1-CD1 4.22Å; V56-I58 HydrophobicContact CG1-CG1 3.89Å; V56-I58 PolarHBondContact O-N 2.85Å; V56-L76 HydrophobicContact CG1-CB 4.06Å; V56-L77 HydrophobicContact CG2-CD2 4.3Å; V56-L118 HydrophobicContact CB-CD1 4.23Å; V56-L118 HydrophobicContact CG1-CD1 3.8Å; V56-L118 HydrophobicContact CG1-CD2 4.36Å
57A64.3Low74.6Confident24 Ų2452 Ų5220%0.19826%0.26CS..  trans-64.9101171.100000108.6N55 P59N55-A57 WeakPolarHBondContact OD1-CB 3.43Å; N55-A57 PolarHBondContact OD1-N 2.78Å; A57-P59 VanDerWaalsContact O-CD 3.27Å; A57-P59 WeakPolarHBondContact O-CD 3.36Å
58I66.8Low73.6Confident21 Ų2156.5 Ų56.511%0.10827%0.271CS..  trans-96.1108.4171.2-49.4-167.5000107.9V56 S60 M62 L63 L66 L76 V114 L118V56-I58 HydrophobicContact CG1-CD1 4.22Å; V56-I58 HydrophobicContact CG1-CG1 3.89Å; V56-I58 PolarHBondContact O-N 2.85Å; I58-S60 PolarHBondContact O-N 3.32Å; I58-M62 HydrophobicContact CG2-CB 3.74Å; I58-L63 HydrophobicContact CB-CD2 4.07Å; I58-L63 HydrophobicContact CD1-CD2 4.22Å; I58-L63 HydrophobicContact CG2-CD2 3.63Å; I58-L63 HydrophobicContact CG2-CG 3.95Å; I58-L66 HydrophobicContact CD1-CD2 3.88Å; I58-L76 HydrophobicContact CD1-CD1 3.76Å; I58-L76 HydrophobicContact CD1-CD2 3.99Å; I58-L76 HydrophobicContact CD1-CG 4.41Å; I58-L76 HydrophobicContact CG1-CD1 4.4Å; I58-L76 HydrophobicContact CG1-CD2 4.04Å; I58-L76 HydrophobicContact CG2-CD2 3.98Å; I58-V114 HydrophobicContact CB-CG1 4.49Å; I58-V114 HydrophobicContact CD1-CG1 3.82Å; I58-V114 HydrophobicContact CG1-CG1 4.05Å; I58-L118 HydrophobicContact CD1-CD1 3.94Å; I58-L118 HydrophobicContact CD1-CD2 3.92Å; I58-L118 HydrophobicContact CD1-CG 3.86Å
59P63.4Low72.3Confident67 Ų6757.4 Ų57.444%0.43528%0.281SS..  trans-52.9137.8167.9-24.333.2000109.7A57 L61 M62A57-P59 VanDerWaalsContact O-CD 3.27Å; A57-P59 WeakPolarHBondContact O-CD 3.36Å; P59-L61 PolarHBondContact O-N 3.44Å; P59-M62 HydrophobicContact CB-CG 4.41Å; P59-M62 HydrophobicContact CG-SD 4.11Å; P59-M62 WeakPolarHBondContact O-CA 3.21Å; P59-M62 WeakPolarHBondContact O-CB 3.3Å; P59-M62 PolarHBondContact O-N 2.83Å
60S56.5Low70.9Confident41 Ų4163 Ų6329%0.28731%0.311SS..Hα-helixtrans-49.6-33.5-178570000113.9I58 M62 L63 F333I58-S60 PolarHBondContact O-N 3.32Å; S60-M62 VanDerWaalsContact C-N 3.29Å; S60-M62 PolarHBondContact O-N 3.35Å; S60-L63 WeakPolarHBondContact O-CB 3.47Å; S60-L63 PolarHBondContact O-N 2.74Å; S60-F333 VanDerWaalsContact CB-CD2 3.45Å; S60-F333 WeakPolarHBondContact OG-CD2 3.42Å; S60-F333 WeakPolarHBondContact OG-CE2 3.38Å; S60-F333 VanDerWaalsContact OG-CG 3.22Å; S60-F333 WeakPolarHBondContact OG-CG 3.37Å
61L52.8Low69.7Low131 Ų13163.5 Ų63.569%0.68631%0.314SS*.Hα-helixtrans-61.3-32.2174.4-75.6125.2000113.7P59P59-L61 PolarHBondContact O-N 3.44Å
62M60.8Low68.8Low43 Ų4363.2 Ų63.221%0.21232%0.319CS..Hα-helixtrans-82.1-18.6-177.8-63.5-173.278.700112.5I58 P59 S60 R64 R65 L66 L71 L76I58-M62 HydrophobicContact CG2-CB 3.74Å; P59-M62 HydrophobicContact CB-CG 4.41Å; P59-M62 HydrophobicContact CG-SD 4.11Å; P59-M62 WeakPolarHBondContact O-CA 3.21Å; P59-M62 WeakPolarHBondContact O-CB 3.3Å; P59-M62 PolarHBondContact O-N 2.83Å; S60-M62 VanDerWaalsContact C-N 3.29Å; S60-M62 PolarHBondContact O-N 3.35Å; M62-R64 VanDerWaalsContact C-N 3.33Å; M62-R64 PolarHBondContact O-N 2.96Å; M62-R65 PolarHBondContact O-N 2.99Å; M62-R65 VanDerWaalsContact O-N 3.15Å; M62-L66 WeakPolarHBondContact O-CB 3.41Å; M62-L66 PolarHBondContact O-N 2.98Å; M62-L71 HydrophobicContact CB-CD2 3.9Å; M62-L71 HydrophobicContact CE-CD1 3.62Å; M62-L71 HydrophobicContact CE-CD2 3.58Å; M62-L71 HydrophobicContact CE-CG 4.15Å; M62-L76 HydrophobicContact CE-CD2 4.22Å
63L65.8Low68.2Low41 Ų4160.9 Ų60.922%0.21531%0.305CS..Hα-helixtrans-63.5-36.2175.7-64.2172.6000112.5I58 S60 R65 L66 K67 V114 L117I58-L63 HydrophobicContact CB-CD2 4.07Å; I58-L63 HydrophobicContact CD1-CD2 4.22Å; I58-L63 HydrophobicContact CG2-CD2 3.63Å; I58-L63 HydrophobicContact CG2-CG 3.95Å; S60-L63 WeakPolarHBondContact O-CB 3.47Å; S60-L63 PolarHBondContact O-N 2.74Å; L63-R65 VanDerWaalsContact C-N 3.32Å; L63-R65 PolarHBondContact O-N 3.23Å; L63-L66 PolarHBondContact O-N 2.75Å; L63-K67 WeakPolarHBondContact O-CB 3.38Å; L63-K67 PolarHBondContact O-N 3.36Å; L63-V114 HydrophobicContact CD1-CG2 4.26Å; L63-V114 HydrophobicContact CD2-CG2 3.94Å; L63-L117 HydrophobicContact CB-CD1 4.41Å; L63-L117 HydrophobicContact CD2-CD1 4.13Å
64R63.2Low67.3Low199 Ų19965 Ų6575%0.75132%0.322SS*.Hα-helixtrans-66.7-34.8175-66.7177.895.31685.6111.9M62 K68M62-R64 VanDerWaalsContact C-N 3.33Å; M62-R64 PolarHBondContact O-N 2.96Å; R64-K68 WeakPolarHBondContact O-CG 3.49Å; R64-K68 PolarHBondContact O-N 3.06Å
65R61Low66.4Low135 Ų13567.7 Ų67.751%0.50934%0.341SS..Hα-helixtrans-75.2-37.7177.2-65.8-179.563.8179.7-0.8111.5M62 L63 K68 G69 N70 L71M62-R65 PolarHBondContact O-N 2.99Å; M62-R65 VanDerWaalsContact O-N 3.15Å; L63-R65 VanDerWaalsContact C-N 3.32Å; L63-R65 PolarHBondContact O-N 3.23Å; R65-K68 PolarHBondContact O-N 2.85Å; R65-G69 PolarHBondContact O-N 2.89Å; R65-N70 PolarHBondContact O-N 2.84Å; R65-N70 VanDerWaalsContact O-N 3.08Å; R65-L71 HydrophobicContact CB-CB 4.27Å; R65-L71 HydrophobicContact CB-CD2 4.38Å
66L65.1Low65.5Low6 Ų666.8 Ų66.83%0.03134%0.336CS..Hα-helixtrans-63.1-46.4173.7-168.168.2000111.2I58 M62 L63 K68 G69 L71 L76 L117 L118 R121I58-L66 HydrophobicContact CD1-CD2 3.88Å; M62-L66 WeakPolarHBondContact O-CB 3.41Å; M62-L66 PolarHBondContact O-N 2.98Å; L63-L66 PolarHBondContact O-N 2.75Å; L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 2.59Å; L66-G69 PolarHBondContact O-N 2.87Å; L66-L71 HydrophobicContact CB-CD2 4.44Å; L66-L71 HydrophobicContact CD1-CB 4.49Å; L66-L76 HydrophobicContact CD1-CD1 4.03Å; L66-L76 HydrophobicContact CD2-CD1 4.47Å; L66-L117 HydrophobicContact CD2-CB 3.74Å; L66-L117 HydrophobicContact CG-CB 4.4Å; L66-L118 HydrophobicContact CD2-CD2 4.23Å; L66-L118 HydrophobicContact CD2-CG 4.34Å; L66-R121 HydrophobicContact CD1-CG 4.22Å
67K64.1Low65.3Low160 Ų16067.1 Ų67.170%0.69634%0.337SS*.Hα-helixtrans-62.1-30.9176.6-171.2174.3-178.2176.30113.3L63 G69 L117L63-K67 WeakPolarHBondContact O-CB 3.38Å; L63-K67 PolarHBondContact O-N 3.36Å; K67-G69 VanDerWaalsContact C-N 3.32Å; K67-L117 HydrophobicContact CB-CD2 4.1Å; K67-L117 HydrophobicContact CG-CD2 4.14Å
68K64.7Low65.2Low163 Ų16371 Ų7171%0.70936%0.363SS*.THydrogen-bonded Turntrans-84.4-1.8174.4-71.4-177.6178.2-170.60113.6R64 R65 L66 N70R64-K68 WeakPolarHBondContact O-CG 3.49Å; R64-K68 PolarHBondContact O-N 3.06Å; R65-K68 PolarHBondContact O-N 2.85Å; L66-K68 VanDerWaalsContact C-N 3.26Å; L66-K68 PolarHBondContact O-N 2.59Å; K68-N70 VanDerWaalsContact C-N 3.26Å; K68-N70 PolarHBondContact O-N 2.64Å
69G62.5Low65.4Low26 Ų2673.7 Ų73.727%0.26838%0.378SS..THydrogen-bonded Turntrans74.27.9178.100000115.8R65 L66 K67 L71 R121R65-G69 PolarHBondContact O-N 2.89Å; L66-G69 PolarHBondContact O-N 2.87Å; K67-G69 VanDerWaalsContact C-N 3.32Å; G69-L71 VanDerWaalsContact C-N 3.29Å; G69-L71 PolarHBondContact O-N 3.29Å; G69-R121 VanDerWaalsContact CA-NH1 3.32Å; G69-R121 PolarHBondContact O-NH1 3.21Å; G69-R121 PolarHBondContact O-NH2 2.85Å
70N63.3Low65.7Low124 Ų12472.4 Ų72.466%0.66338%0.376SS*.  trans-91.620.6-175.3-75.31.1000113.4R65 K68R65-N70 PolarHBondContact O-N 2.84Å; R65-N70 VanDerWaalsContact O-N 3.08Å; K68-N70 VanDerWaalsContact C-N 3.26Å; K68-N70 PolarHBondContact O-N 2.64Å
71L67.1Low66.6Low11 Ų1177 Ų776%0.05839%0.394CS..SBendtrans-141.7125.3-174.7-165.168.4000109.7M62 R65 L66 G69 S75 L76M62-L71 HydrophobicContact CB-CD2 3.9Å; M62-L71 HydrophobicContact CE-CD1 3.62Å; M62-L71 HydrophobicContact CE-CD2 3.58Å; M62-L71 HydrophobicContact CE-CG 4.15Å; R65-L71 HydrophobicContact CB-CB 4.27Å; R65-L71 HydrophobicContact CB-CD2 4.38Å; L66-L71 HydrophobicContact CB-CD2 4.44Å; L66-L71 HydrophobicContact CD1-CB 4.49Å; G69-L71 VanDerWaalsContact C-N 3.29Å; G69-L71 PolarHBondContact O-N 3.29Å; L71-S75 WeakPolarHBondContact CD1-OG 3.46Å; L71-S75 WeakPolarHBondContact CG-OG 3.48Å; L71-L76 HydrophobicContact CD2-CD2 3.46Å; L71-L76 VanDerWaalsContact CD2-CD2 3.46Å; L71-L76 HydrophobicContact CD2-CG 4.34Å; L71-L76 HydrophobicContact CG-CD2 4.28Å
72S69.9Low67.8Low58 Ų5872.3 Ų72.341%0.40637%0.369SS..  trans-82.2144.6176.866.30000110.1K74 S75S72-K74 PolarHBondContact O-N 3.46Å; S72-S75 WeakPolarHBondContact O-CB 3.46Å; S72-S75 PolarHBondContact O-N 2.81Å; S72-S75 PolarHBondContact O-OG 3.38Å
73I72.6Confident68.6Low1 Ų176.9 Ų76.91%0.00538%0.384CS..G310 helixtrans-60-31.3-179.6-66.4153.4000111.6S75 L76 F86 R121 M122 Y127I73-S75 PolarHBondContact O-N 2.92Å; I73-L76 VanDerWaalsContact O-CB 3.31Å; I73-L76 WeakPolarHBondContact O-CB 3.42Å; I73-L76 PolarHBondContact O-N 3.28Å; I73-F86 HydrophobicContact CB-CE1 4.27Å; I73-F86 HydrophobicContact CB-CZ 4.14Å; I73-F86 HydrophobicContact CG2-CE1 3.78Å; I73-F86 HydrophobicContact CG2-CE2 3.95Å; I73-F86 HydrophobicContact CG2-CZ 3.38Å; I73-R121 HydrophobicContact CD1-CB 4.44Å; I73-R121 HydrophobicContact CD1-CG 3.89Å; I73-R121 HydrophobicContact CG1-CG 4.03Å; I73-M122 HydrophobicContact CD1-CB 4.26Å; I73-M122 HydrophobicContact CD1-CE 4.31Å; I73-M122 HydrophobicContact CD1-CG 3.37Å; I73-M122 HydrophobicContact CG1-CG 4.45Å; I73-M122 HydrophobicContact CG2-CE 3.75Å; I73-Y127 HydrophobicContact CD1-CD2 4.22Å; I73-Y127 HydrophobicContact CD1-CE2 3.8Å
74K72.6Confident69.1Low90 Ų9080.4 Ų80.439%0.39140%0.399SS..G310 helixtrans-59.3-27.8174.9-64.8-174.9178.6-173.70113.9S72 L76 F86 A87S72-K74 PolarHBondContact O-N 3.46Å; K74-L76 VanDerWaalsContact C-N 3.29Å; K74-F86 HydrophobicContact CG-CD1 4.08Å; K74-F86 HydrophobicContact CG-CE1 4.14Å; K74-A87 HydrophobicContact CD-CB 4.4Å
75S69.4Low69.8Low56 Ų5674.2 Ų74.239%0.39238%0.376SS..G310 helixtrans-82.7-6.117967.80000113.8L71 S72 I73L71-S75 WeakPolarHBondContact CD1-OG 3.46Å; L71-S75 WeakPolarHBondContact CG-OG 3.48Å; S72-S75 WeakPolarHBondContact O-CB 3.46Å; S72-S75 PolarHBondContact O-N 2.81Å; S72-S75 PolarHBondContact O-OG 3.38Å; I73-S75 PolarHBondContact O-N 2.92Å
76L70.1Confident70.9Confident4 Ų467.8 Ų67.82%0.02135%0.352CS..G310 helixtrans-88.8-7.3178.2-60.5172.5000113.2V56 I58 M62 L66 L71 I73 K74 L118V56-L76 HydrophobicContact CG1-CB 4.06Å; I58-L76 HydrophobicContact CD1-CD1 3.76Å; I58-L76 HydrophobicContact CD1-CD2 3.99Å; I58-L76 HydrophobicContact CD1-CG 4.41Å; I58-L76 HydrophobicContact CG1-CD1 4.4Å; I58-L76 HydrophobicContact CG1-CD2 4.04Å; I58-L76 HydrophobicContact CG2-CD2 3.98Å; M62-L76 HydrophobicContact CE-CD2 4.22Å; L66-L76 HydrophobicContact CD1-CD1 4.03Å; L66-L76 HydrophobicContact CD2-CD1 4.47Å; L71-L76 HydrophobicContact CD2-CD2 3.46Å; L71-L76 VanDerWaalsContact CD2-CD2 3.46Å; L71-L76 HydrophobicContact CD2-CG 4.34Å; L71-L76 HydrophobicContact CG-CD2 4.28Å; I73-L76 VanDerWaalsContact O-CB 3.31Å; I73-L76 WeakPolarHBondContact O-CB 3.42Å; I73-L76 PolarHBondContact O-N 3.28Å; K74-L76 VanDerWaalsContact C-N 3.29Å; L76-L118 HydrophobicContact CD1-CD2 3.51Å
77L75.3Confident71.5Confident9 Ų969.5 Ų69.55%0.04737%0.366CS..  trans-96.9110.4-177.2-60.3175.7000108.8M37 I54 V56 R83 F86M37-L77 HydrophobicContact CE-CD2 4.21Å; I54-L77 HydrophobicContact CG2-CD2 3.65Å; V56-L77 HydrophobicContact CG2-CD2 4.3Å; L77-R83 HydrophobicContact CB-CB 4.03Å; L77-R83 HydrophobicContact CB-CG 4.44Å; L77-F86 HydrophobicContact CD1-CB 3.27Å; L77-F86 HydrophobicContact CD1-CD1 4.04Å; L77-F86 HydrophobicContact CD1-CD2 4.17Å; L77-F86 HydrophobicContact CD1-CG 3.57Å
78S63Low72.3Confident106 Ų10670 Ų7074%0.74136%0.364SS*.  trans-71.5-31.2-175.4-54.80000112.7
79N70.1Confident73Confident77 Ų7764.7 Ų64.741%0.41234%0.339SS..SBendtrans-90.1132.5-179.4-176.53.8000111.3E81 D82 R83N79-E81 VanDerWaalsContact C-N 3.32Å; N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 PolarHBondContact OD1-N 3.49Å; N79-D82 HydrophobicContact CB-CB 4.08Å; N79-D82 VanDerWaalsContact CB-OD2 3.28Å; N79-D82 WeakPolarHBondContact CB-OD2 3.42Å; N79-D82 PolarHBondContact ND2-OD2 2.89Å; N79-D82 PolarHBondContact O-N 3.49Å; N79-R83 VanDerWaalsContact O-CB 3.28Å; N79-R83 WeakPolarHBondContact O-CB 3.35Å; N79-R83 PolarHBondContact O-N 2.91Å
80G69.7Low73.6Confident39 Ų3963.5 Ų63.540%0.40233%0.327SS..Hα-helixtrans-61.7-37.8-179.800000113.2E84G80-E84 PolarHBondContact O-N 2.97Å; G80-E84 VanDerWaalsContact O-N 3.1Å
81E75.8Confident74.4Confident139 Ų13965.9 Ų65.965%0.6533%0.332SS*.Hα-helixtrans-70.2-46.9179.7-173.2174.2-178.300111.5N79 R83 E84 R85N79-E81 VanDerWaalsContact C-N 3.32Å; N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 PolarHBondContact OD1-N 3.49Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 2.97Å; E81-E84 PolarHBondContact O-N 3.3Å; E81-E84 VanDerWaalsContact O-N 3.15Å; E81-R85 WeakPolarHBondContact O-CB 3.45Å; E81-R85 PolarHBondContact O-N 2.99Å
82D77.8Confident74.9Confident31 Ų3169.4 Ų69.417%0.16635%0.354CS..Hα-helixtrans-63.3-37.3175.9-68.6-43000112.1I54 N79 E84 R85 F86I54-D82 HydrophobicContact CD1-CB 4.36Å; I54-D82 HydrophobicContact CG1-CB 4.42Å; I54-D82 HydrophobicContact CG2-CB 3.73Å; N79-D82 HydrophobicContact CB-CB 4.08Å; N79-D82 VanDerWaalsContact CB-OD2 3.28Å; N79-D82 WeakPolarHBondContact CB-OD2 3.42Å; N79-D82 PolarHBondContact ND2-OD2 2.89Å; N79-D82 PolarHBondContact O-N 3.49Å; D82-E84 VanDerWaalsContact C-N 3.31Å; D82-E84 PolarHBondContact O-N 3.5Å; D82-R85 PolarHBondContact O-N 3.45Å; D82-F86 WeakPolarHBondContact O-CB 3.27Å; D82-F86 PolarHBondContact O-N 2.96Å
83R77.4Confident75.6Confident139 Ų13967 Ų6753%0.52534%0.336SS..Hα-helixtrans-61.2-41.5174.5-171.6179.172.6-170.72111.6L77 N79 E81 A87L77-R83 HydrophobicContact CB-CB 4.03Å; L77-R83 HydrophobicContact CB-CG 4.44Å; N79-R83 VanDerWaalsContact O-CB 3.28Å; N79-R83 WeakPolarHBondContact O-CB 3.35Å; N79-R83 PolarHBondContact O-N 2.91Å; E81-R83 VanDerWaalsContact C-N 3.29Å; E81-R83 PolarHBondContact O-N 2.97Å; R83-A87 WeakPolarHBondContact O-CB 3.44Å; R83-A87 PolarHBondContact O-N 2.73Å
84E77.2Confident76.4Confident115 Ų11568.5 Ų68.554%0.53735%0.345SS..Hα-helixtrans-73-38.5177.4-169172.5-171.200112G80 E81 D82 A87 R88G80-E84 PolarHBondContact O-N 2.97Å; G80-E84 VanDerWaalsContact O-N 3.1Å; E81-E84 PolarHBondContact O-N 3.3Å; E81-E84 VanDerWaalsContact O-N 3.15Å; D82-E84 VanDerWaalsContact C-N 3.31Å; D82-E84 PolarHBondContact O-N 3.5Å; E84-A87 PolarHBondContact O-N 3.49Å; E84-R88 WeakPolarHBondContact O-CB 3.23Å; E84-R88 WeakPolarHBondContact O-CG 3.27Å; E84-R88 PolarHBondContact O-N 3.2Å; E84-R88 PolarHBondContact O-NE 3.22Å
85R77.9Confident77.2Confident70 Ų7064.2 Ų64.226%0.26433%0.327SS..Hα-helixtrans-61.3-46174.6-170.1174.9-178.2-143.5-6.8111.4T52 I54 E81 D82 R89T52-R85 PolarHBondContact O-NH1 2.9Å; I54-R85 HydrophobicContact CD1-CG 4.45Å; E81-R85 WeakPolarHBondContact O-CB 3.45Å; E81-R85 PolarHBondContact O-N 2.99Å; D82-R85 PolarHBondContact O-N 3.45Å; R85-R89 PolarHBondContact O-N 3.45Å
86F82.8Confident78.3Confident0 Ų061.6 Ų61.60%031%0.308CS..Hα-helixtrans-62.7-48.6172.7-177.9-91000111.3L35 M37 I73 K74 L77 D82 R88 R89 C90 I95 M122L35-F86 HydrophobicContact CD2-CD2 3.47Å; L35-F86 VanDerWaalsContact CD2-CD2 3.47Å; L35-F86 HydrophobicContact CD2-CE2 3.89Å; M37-F86 HydrophobicContact CE-CD2 3.92Å; M37-F86 HydrophobicContact CE-CE2 3.86Å; M37-F86 HydrophobicContact SD-CD2 4.12Å; M37-F86 HydrophobicContact SD-CE2 3.82Å; I73-F86 HydrophobicContact CB-CE1 4.27Å; I73-F86 HydrophobicContact CB-CZ 4.14Å; I73-F86 HydrophobicContact CG2-CE1 3.78Å; I73-F86 HydrophobicContact CG2-CE2 3.95Å; I73-F86 HydrophobicContact CG2-CZ 3.38Å; K74-F86 HydrophobicContact CG-CD1 4.08Å; K74-F86 HydrophobicContact CG-CE1 4.14Å; L77-F86 HydrophobicContact CD1-CB 3.27Å; L77-F86 HydrophobicContact CD1-CD1 4.04Å; L77-F86 HydrophobicContact CD1-CD2 4.17Å; L77-F86 HydrophobicContact CD1-CG 3.57Å; D82-F86 WeakPolarHBondContact O-CB 3.27Å; D82-F86 PolarHBondContact O-N 2.96Å; F86-R88 PolarHBondContact O-N 3.48Å; F86-R89 PolarHBondContact O-N 3.48Å; F86-C90 HydrophobicContact CD1-CB 3.98Å; F86-C90 HydrophobicContact CD2-CB 4.2Å; F86-C90 HydrophobicContact CE1-CB 3.63Å; F86-C90 HydrophobicContact CE2-CB 3.85Å; F86-C90 HydrophobicContact CG-CB 4.24Å; F86-C90 HydrophobicContact CZ-CB 3.54Å; F86-C90 WeakPolarHBondContact O-CB 3.36Å; F86-C90 PolarHBondContact O-N 3.32Å; F86-C90 PolarHBondContact O-SG 3.39Å; F86-C90 VanDerWaalsContact O-SG 3.35Å; F86-I95 HydrophobicContact CE2-CD1 4.14Å; F86-M122 HydrophobicContact CE2-CE 4.16Å; F86-M122 HydrophobicContact CZ-CE 4.43Å
87A79.1Confident79.4Confident41 Ų4161.4 Ų61.434%0.33931%0.307SS..Hα-helixtrans-61.5-31.8-176.800000113.5K74 R83 E84K74-A87 HydrophobicContact CD-CB 4.4Å; R83-A87 WeakPolarHBondContact O-CB 3.44Å; R83-A87 PolarHBondContact O-N 2.73Å; E84-A87 PolarHBondContact O-N 3.49Å
88R79.6Confident80.1Confident170 Ų17061 Ų6164%0.64231%0.305SS*.Hα-helixtrans-74.8-38.3176.2-77.3-175.7-79.9167.4-10.2113E84 F86E84-R88 WeakPolarHBondContact O-CB 3.23Å; E84-R88 WeakPolarHBondContact O-CG 3.27Å; E84-R88 PolarHBondContact O-N 3.2Å; E84-R88 PolarHBondContact O-NE 3.22Å; F86-R88 PolarHBondContact O-N 3.48Å
89R79.1Confident81.3Confident52 Ų5257.7 Ų57.720%0.19628%0.279CS..Hα-helixtrans-107.9-17.7-165.9-64.4-177.266.3-1436.7115.1L34 R85 F86 K91 T92 D93L34-R89 PolarHBondContact O-NH1 3.37Å; L34-R89 PolarHBondContact O-NH2 3.16Å; R85-R89 PolarHBondContact O-N 3.45Å; F86-R89 PolarHBondContact O-N 3.48Å; R89-K91 PolarHBondContact O-N 2.82Å; R89-T92 PolarHBondContact O-N 3.35Å; R89-T92 VanDerWaalsContact O-N 3.15Å; R89-T92 PolarHBondContact O-OG1 3.45Å; R89-D93 HydrophobicContact CB-CB 4.35Å; R89-D93 IonicContact CZ-OD2 2.75Å; R89-D93 IonicContact NE-OD2 3.11Å; R89-D93 PolarHBondContact NE-OD2 3.09Å; R89-D93 IonicContact NH1-OD2 3.4Å; R89-D93 IonicContact NH2-OD2 3.13Å; R89-D93 PolarHBondContact NH2-OD2 2.72Å; R89-D93 VanDerWaalsContact O-CB 3.26Å; R89-D93 WeakPolarHBondContact O-CB 3.49Å; R89-D93 PolarHBondContact O-N 3.23Å
90C76.6Confident82Confident2 Ų255.7 Ų55.71%0.01427%0.267CS..THydrogen-bonded Turntrans-59.3-26.8-170.5640000114.9F86 I95 Y127F86-C90 HydrophobicContact CD1-CB 3.98Å; F86-C90 HydrophobicContact CD2-CB 4.2Å; F86-C90 HydrophobicContact CE1-CB 3.63Å; F86-C90 HydrophobicContact CE2-CB 3.85Å; F86-C90 HydrophobicContact CG-CB 4.24Å; F86-C90 HydrophobicContact CZ-CB 3.54Å; F86-C90 WeakPolarHBondContact O-CB 3.36Å; F86-C90 PolarHBondContact O-N 3.32Å; F86-C90 PolarHBondContact O-SG 3.39Å; F86-C90 VanDerWaalsContact O-SG 3.35Å; C90-I95 HydrophobicContact CB-CD1 4.32Å; C90-Y127 HydrophobicContact CB-CD1 4.19Å; C90-Y127 HydrophobicContact CB-CE1 3.96Å; C90-Y127 WeakPolarHBondContact O-CD1 3.47Å
91K79Confident82.6Confident174 Ų17461 Ų6176%0.75728%0.276SS*.THydrogen-bonded Turntrans-86.4-28.2-179.4-68.1-173.5176.7-174.10114.1R89 Y127R89-K91 PolarHBondContact O-N 2.82Å; K91-Y127 HydrophobicContact CG-CE1 4.14Å
92T78.5Confident82.5Confident85 Ų8554.9 Ų54.952%0.52125%0.249SC..THydrogen-bonded Turntrans-95.3-31.3-174.347.10000111.4R89R89-T92 PolarHBondContact O-N 3.35Å; R89-T92 VanDerWaalsContact O-N 3.15Å; R89-T92 PolarHBondContact O-OG1 3.45Å
93D84.4Confident81.6Confident8 Ų863 Ų634%0.04328%0.277CS..SBendtrans-101.3155.7-162.7-68.127.2000112.6C33 R89C33-D93 VanDerWaalsContact CA-OD2 3.26Å; C33-D93 WeakPolarHBondContact CA-OD2 3.32Å; C33-D93 CarbonylContact O-C 3.55Å; C33-D93 WeakPolarHBondContact O-CA 3.33Å; C33-D93 WeakPolarHBondContact O-CB 3.43Å; R89-D93 HydrophobicContact CB-CB 4.35Å; R89-D93 IonicContact CZ-OD2 2.75Å; R89-D93 IonicContact NE-OD2 3.11Å; R89-D93 PolarHBondContact NE-OD2 3.09Å; R89-D93 IonicContact NH1-OD2 3.4Å; R89-D93 IonicContact NH2-OD2 3.13Å; R89-D93 PolarHBondContact NH2-OD2 2.72Å; R89-D93 VanDerWaalsContact O-CB 3.26Å; R89-D93 WeakPolarHBondContact O-CB 3.49Å; R89-D93 PolarHBondContact O-N 3.23Å
94T88.8Confident80.7Confident32 Ų3264.1 Ų64.120%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-74.3125.5168.8-540000108W22 C33 L34 L35 F130W22-T94 HydrophobicContact CH2-CG2 3.99Å; C33-T94 PolarHBondContact O-N 3.07Å; L34-T94 WeakPolarHBondContact CA-O 3.45Å; L35-T94 PolarHBondContact N-O 3.13Å; T94-F130 HydrophobicContact CG2-CD2 3.64Å; T94-F130 HydrophobicContact CG2-CE2 3.72Å
95I90.7Very high79.8Confident0 Ų060.1 Ų60.10%027%0.269CS..EExtended strand (participates in β ladder)trans-100.5125.2176.9-54.4176.5000108.4L35 M37 F86 C90 L97 M122 Y127 K128 A129 F130L35-I95 HydrophobicContact CB-CG1 4.26Å; L35-I95 HydrophobicContact CD2-CG1 4.23Å; L35-I95 HydrophobicContact CD2-CG2 4.21Å; L35-I95 CarbonylContact O-C 3.59Å; L35-I95 WeakPolarHBondContact O-CA 3.33Å; M37-I95 HydrophobicContact CG-CG2 4.13Å; M37-I95 HydrophobicContact SD-CG2 3.64Å; F86-I95 HydrophobicContact CE2-CD1 4.14Å; C90-I95 HydrophobicContact CB-CD1 4.32Å; I95-L97 HydrophobicContact CG2-CD1 3.93Å; I95-L97 HydrophobicContact CG2-CG 4.25Å; I95-M122 HydrophobicContact CD1-SD 4.21Å; I95-M122 HydrophobicContact CG2-CE 4.44Å; I95-M122 HydrophobicContact CG2-SD 3.9Å; I95-Y127 HydrophobicContact CD1-CG 4.22Å; I95-K128 PolarHBondContact N-O 3.34Å; I95-A129 HydrophobicContact CB-CB 4.33Å; I95-A129 CarbonylContact O-C 3.37Å; I95-A129 WeakPolarHBondContact O-CA 3.34Å; I95-F130 PolarHBondContact O-N 3.41Å
96V92Very high78.9Confident0 Ų060.4 Ų60.40%028%0.275CS..EExtended strand (participates in β ladder)trans-113.1122.6172.1178.20000108.8K18 W22 L23 L34 L35 V36 M37 F130 L132K18-V96 HydrophobicContact CG-CG2 4.32Å; W22-V96 HydrophobicContact CZ3-CG2 3.81Å; L23-V96 HydrophobicContact CD1-CG1 4.5Å; L23-V96 HydrophobicContact CD2-CG1 4.5Å; L34-V96 HydrophobicContact CD1-CB 4.39Å; L34-V96 HydrophobicContact CD1-CG2 3.76Å; L35-V96 PolarHBondContact O-N 2.82Å; V36-V96 CarbonylContact C-O 3.49Å; V36-V96 WeakPolarHBondContact CA-O 3.29Å; M37-V96 PolarHBondContact N-O 2.84Å; V96-F130 CarbonylContact C-O 3.47Å; V96-F130 WeakPolarHBondContact CA-O 3.43Å; V96-L132 HydrophobicContact CG1-CB 4.1Å; V96-L132 HydrophobicContact CG1-CD1 4.44Å
97L91.9Very high77.7Confident0 Ų066.7 Ų66.70%031%0.305CS..EExtended strand (participates in β ladder)trans-107143.3176-56.997.3000110.1M37 I95 L115 L118 L119 M122 A129 F130 Y131 L132M37-L97 HydrophobicContact CB-CG 4.24Å; M37-L97 WeakPolarHBondContact O-CA 3.46Å; I95-L97 HydrophobicContact CG2-CD1 3.93Å; I95-L97 HydrophobicContact CG2-CG 4.25Å; L97-L115 HydrophobicContact CB-CD1 3.3Å; L97-L115 HydrophobicContact CD2-CD1 4.48Å; L97-L115 HydrophobicContact CG-CD1 4.45Å; L97-L118 HydrophobicContact CD2-CB 3.69Å; L97-L118 HydrophobicContact CD2-CD1 4.07Å; L97-L119 HydrophobicContact CD1-CD1 3.88Å; L97-M122 HydrophobicContact CD1-SD 3.73Å; L97-M122 HydrophobicContact CD2-CE 3.92Å; L97-M122 HydrophobicContact CD2-SD 3.83Å; L97-M122 HydrophobicContact CG-SD 4.21Å; L97-A129 HydrophobicContact CD1-CB 4.01Å; L97-F130 PolarHBondContact N-O 3.12Å; L97-Y131 CarbonylContact O-C 3.58Å; L97-Y131 WeakPolarHBondContact O-CA 3.24Å; L97-L132 PolarHBondContact O-N 3.05Å
98Y91.1Very high76.3Confident0 Ų072.1 Ų72.10%033%0.328CS..EExtended strand (participates in β ladder)trans-140.8151.6174.367.5-100.9000112V36 M37 D38 C39 V50 A53 L132 F136V36-Y98 HydrophobicContact CG1-CD1 3.93Å; V36-Y98 HydrophobicContact CG1-CE1 3.56Å; M37-Y98 PolarHBondContact O-N 3.4Å; D38-Y98 HydrophobicContact CB-CE1 4.27Å; D38-Y98 HydrophobicContact CB-CE2 3.88Å; D38-Y98 WeakPolarHBondContact CB-OH 3.43Å; D38-Y98 VanDerWaalsContact CG-CZ 3.44Å; D38-Y98 VanDerWaalsContact CG-OH 3.23Å; D38-Y98 WeakPolarHBondContact OD2-CE2 2.87Å; D38-Y98 VanDerWaalsContact OD2-CZ 3.22Å; D38-Y98 PolarHBondContact OD2-OH 3.01Å; C39-Y98 VanDerWaalsContact CB-O 3.26Å; C39-Y98 WeakPolarHBondContact CB-O 3.41Å; C39-Y98 PolarHBondContact N-O 3.28Å; V50-Y98 HydrophobicContact CB-CE1 3.89Å; V50-Y98 HydrophobicContact CG2-CD1 4.3Å; V50-Y98 HydrophobicContact CG2-CE1 3.57Å; V50-Y98 PolarHBondContact N-OH 3.17Å; V50-Y98 VanDerWaalsContact N-OH 3.15Å; A53-Y98 HydrophobicContact CB-CE1 4.18Å; Y98-L132 HydrophobicContact CD1-CD2 4.41Å; Y98-L132 HydrophobicContact CG-CD2 4.3Å; Y98-F136 HydrophobicContact CD2-CB 3.78Å; Y98-F136 HydrophobicContact CD2-CD2 4.41Å; Y98-F136 HydrophobicContact CE2-CB 3.8Å; Y98-F136 AromaticContact CE2-CD2 3.73Å; Y98-F136 HydrophobicContact CE2-CD2 3.73Å; Y98-F136 HydrophobicContact CE2-CG 4.1Å
99D87.3Confident75Confident37 Ų3769.3 Ų69.320%0.19833%0.329CS..  trans-112.5-162.7166.270.2-6.7000109.3Y101 S102 L115 G135 F136D99-Y101 PolarHBondContact OD1-N 3.43Å; D99-S102 WeakPolarHBondContact OD1-CA 3.23Å; D99-S102 WeakPolarHBondContact OD1-CB 3.46Å; D99-S102 PolarHBondContact OD1-N 3.1Å; D99-S102 PolarHBondContact OD1-OG 3.5Å; D99-S102 WeakPolarHBondContact OD2-CB 3.4Å; D99-S102 PolarHBondContact OD2-OG 2.83Å; D99-L115 HydrophobicContact CB-CD2 4.19Å; D99-G135 CarbonylContact O-C 3.55Å; D99-G135 WeakPolarHBondContact O-CA 3.4Å; D99-F136 PolarHBondContact O-N 3.36Å
100E86.2Confident73.9Confident35 Ų3568.1 Ų68.116%0.16433%0.327CS..SBendtrans-73.8-40.6-178.4-167.165.5-13500113.5R40 F136 S137R40-E100 WeakPolarHBondContact CD-OE2 3.38Å; R40-E100 HydrophobicContact CG-CB 4.41Å; R40-E100 IonicContact CZ-OE2 2.73Å; R40-E100 IonicContact NE-OE2 3.94Å; R40-E100 IonicContact NH1-OE1 2.65Å; R40-E100 IonicContact NH1-OE2 2.82Å; R40-E100 PolarHBondContact NH1-OE2 3.27Å; E100-F136 PolarHBondContact O-N 3.15Å; E100-S137 VanDerWaalsContact O-CB 3.28Å; E100-S137 WeakPolarHBondContact O-CB 3.35Å; E100-S137 PolarHBondContact O-N 3.44Å
101Y82.1Confident73.1Confident150 Ų15069.5 Ų69.559%0.58834%0.341SS*.SBendtrans-142.511.1-166-53.1-71.9000116.5D99 R103D99-Y101 PolarHBondContact OD1-N 3.43Å; Y101-R103 WeakPolarHBondContact O-CG 3.41Å; Y101-R103 PolarHBondContact O-N 2.91Å
102S72.4Confident72.2Confident12 Ų1263.1 Ų63.18%0.08433%0.326CS..  trans-62.4107.5-173.9-85.70000112.3D99 G134 G135D99-S102 WeakPolarHBondContact OD1-CA 3.23Å; D99-S102 WeakPolarHBondContact OD1-CB 3.46Å; D99-S102 PolarHBondContact OD1-N 3.1Å; D99-S102 PolarHBondContact OD1-OG 3.5Å; D99-S102 WeakPolarHBondContact OD2-CB 3.4Å; D99-S102 PolarHBondContact OD2-OG 2.83Å; S102-G134 WeakPolarHBondContact O-CA 3.44Å; S102-G134 PolarHBondContact O-N 3.35Å; S102-G135 PolarHBondContact O-N 2.89Å
103R58.8Low72.1Confident200 Ų20061 Ų6176%0.75531%0.314SS*.  trans-90-37.1-179.6-68.3177.9-175.7-175.2-0.7113.4Y101Y101-R103 WeakPolarHBondContact O-CG 3.41Å; Y101-R103 PolarHBondContact O-N 2.91Å
104E58.6Low71.8Confident163 Ų16362.4 Ų62.476%0.76232%0.323SS*.SBendtrans-143.4126.8177-67.1-178.2-179.700109.7N110E104-N110 PolarHBondContact O-ND2 3.44Å
105W58.9Low71.6Confident32 Ų3261 Ų6112%0.12131%0.314CS..  trans-84.2121.2176.6174.7-94.6000111.2E107 N110 L119 Y131W105-E107 HydrophobicContact CZ2-CG 4.33Å; W105-N110 HydrophobicContact CD2-CB 4.15Å; W105-N110 HydrophobicContact CE3-CB 3.47Å; W105-N110 VanDerWaalsContact CE3-CB 3.47Å; W105-N110 HydrophobicContact CH2-CB 3.48Å; W105-N110 VanDerWaalsContact CH2-CB 3.48Å; W105-N110 WeakPolarHBondContact CH2-O 3.48Å; W105-N110 HydrophobicContact CZ2-CB 4.27Å; W105-N110 HydrophobicContact CZ3-CB 3.11Å; W105-N110 WeakPolarHBondContact CZ3-O 3.44Å; W105-L119 HydrophobicContact CD2-CD2 4.32Å; W105-Y131 HydrophobicContact CB-CD1 3.77Å; W105-Y131 HydrophobicContact CB-CE1 3.19Å; W105-Y131 HydrophobicContact CB-CE2 4.03Å; W105-Y131 HydrophobicContact CB-CG 4.42Å; W105-Y131 HydrophobicContact CG-CD1 4.26Å; W105-Y131 HydrophobicContact CG-CE1 4.01Å; W105-Y131 PolarHBondContact N-OH 3.4Å; W105-Y131 VanDerWaalsContact N-OH 3.13Å
106N58.8Low71.1Confident76 Ų7661 Ų6141%0.40631%0.314SS..  trans-125120.8170.6-178.2-19.7000109.3N108 V109 N110N106-N108 PolarHBondContact O-N 3.37Å; N106-N108 VanDerWaalsContact O-N 3.13Å; N106-N108 WeakPolarHBondContact OD1-CB 3.39Å; N106-N108 PolarHBondContact OD1-N 2.73Å; N106-V109 HydrophobicContact CB-CB 4.18Å; N106-V109 HydrophobicContact CB-CG2 4.22Å; N106-V109 PolarHBondContact O-N 3.15Å; N106-N110 WeakPolarHBondContact O-CB 3.15Å; N106-N110 PolarHBondContact O-N 3.47Å
107E58.1Low70.5Confident132 Ų13261.9 Ų61.962%0.61732%0.319SS*.Hα-helixtrans-56.9-30.2-179.8-71.4-170.6164.500113.1W105 G111W105-E107 HydrophobicContact CZ2-CG 4.33Å; E107-G111 WeakPolarHBondContact O-CA 3.43Å; E107-G111 PolarHBondContact O-N 2.82Å
108N49.7Very low70Confident155 Ų15561.9 Ų61.983%0.82932%0.319SS*.Hα-helixtrans-76.8-24.3179.7-63.8-38.8000113.5N106N106-N108 PolarHBondContact O-N 3.37Å; N106-N108 VanDerWaalsContact O-N 3.13Å; N106-N108 WeakPolarHBondContact OD1-CB 3.39Å; N106-N108 PolarHBondContact OD1-N 2.73Å
109V52.2Low69.7Low110 Ų11062 Ų6267%0.66732%0.32SS*.Hα-helixtrans-105.6-39.6-176.2-179.40000110.9N106N106-V109 HydrophobicContact CB-CB 4.18Å; N106-V109 HydrophobicContact CB-CG2 4.22Å; N106-V109 PolarHBondContact O-N 3.15Å
110N56.5Low69.5Low27 Ų2766.4 Ų66.414%0.14434%0.337CS..Hα-helixtrans-103.7-5.1-169.2-54.730.2000112.1E104 W105 N106 G112 S113E104-N110 PolarHBondContact O-ND2 3.44Å; W105-N110 HydrophobicContact CD2-CB 4.15Å; W105-N110 HydrophobicContact CE3-CB 3.47Å; W105-N110 VanDerWaalsContact CE3-CB 3.47Å; W105-N110 HydrophobicContact CH2-CB 3.48Å; W105-N110 VanDerWaalsContact CH2-CB 3.48Å; W105-N110 WeakPolarHBondContact CH2-O 3.48Å; W105-N110 HydrophobicContact CZ2-CB 4.27Å; W105-N110 HydrophobicContact CZ3-CB 3.11Å; W105-N110 WeakPolarHBondContact CZ3-O 3.44Å; N106-N110 WeakPolarHBondContact O-CB 3.15Å; N106-N110 PolarHBondContact O-N 3.47Å; N110-G112 PolarHBondContact O-N 2.99Å; N110-S113 WeakPolarHBondContact O-CB 3.43Å; N110-S113 PolarHBondContact O-N 3.13Å; N110-S113 PolarHBondContact O-OG 3.3Å
111G58.5Low69.2Low31 Ų3167.4 Ų67.432%0.3234%0.339SS..THydrogen-bonded Turntrans-61.2-13.6-17800000115.6E107 L117E107-G111 WeakPolarHBondContact O-CA 3.43Å; E107-G111 PolarHBondContact O-N 2.82Å; G111-L117 WeakPolarHBondContact O-CD2 3.48Å
112G61.6Low69.3Low41 Ų4160.3 Ų60.342%0.42331%0.311SS..THydrogen-bonded Turntrans-93.1-8.5173.100000115.3N110N110-G112 PolarHBondContact O-N 2.99Å
113S75.6Confident69.8Low39 Ų3963.5 Ų63.527%0.27332%0.324SS..SBendtrans-78.2158.8-178.968.80000112.3N110 G116 L117N110-S113 WeakPolarHBondContact O-CB 3.43Å; N110-S113 PolarHBondContact O-N 3.13Å; N110-S113 PolarHBondContact O-OG 3.3Å; S113-G116 PolarHBondContact O-N 3.26Å; S113-G116 PolarHBondContact OG-N 3.06Å; S113-L117 WeakPolarHBondContact O-CG 3.3Å; S113-L117 PolarHBondContact O-N 3.2Å
114V78.2Confident70.9Confident38 Ų3859.3 Ų59.323%0.2332%0.316CS..Hα-helixtrans-56.6-52.9175178.70000110.6C39 I58 L63 G116 L117 L118C39-V114 HydrophobicContact CB-CG1 4.14Å; I58-V114 HydrophobicContact CB-CG1 4.49Å; I58-V114 HydrophobicContact CD1-CG1 3.82Å; I58-V114 HydrophobicContact CG1-CG1 4.05Å; L63-V114 HydrophobicContact CD1-CG2 4.26Å; L63-V114 HydrophobicContact CD2-CG2 3.94Å; V114-G116 PolarHBondContact O-N 3.01Å; V114-L117 PolarHBondContact O-N 2.89Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 WeakPolarHBondContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 2.87Å
115L84.5Confident72Confident2 Ų254.6 Ų54.61%0.0129%0.294CS..Hα-helixtrans-50.8-45.2175175.562.2000111.1C39 L97 D99 L119C39-L115 HydrophobicContact CB-CB 4.35Å; L97-L115 HydrophobicContact CB-CD1 3.3Å; L97-L115 HydrophobicContact CD2-CD1 4.48Å; L97-L115 HydrophobicContact CG-CD1 4.45Å; D99-L115 HydrophobicContact CB-CD2 4.19Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 PolarHBondContact O-N 3.43Å
116G80Confident73.1Confident1 Ų156.2 Ų56.21%0.0132%0.321CS..Hα-helixtrans-68.2-47.7-177.300000116.6S113 V114 L118 L119 K120S113-G116 PolarHBondContact O-N 3.26Å; S113-G116 PolarHBondContact OG-N 3.06Å; V114-G116 PolarHBondContact O-N 3.01Å; G116-L118 VanDerWaalsContact C-N 3.29Å; G116-L118 PolarHBondContact O-N 2.85Å; G116-L119 PolarHBondContact O-N 2.91Å; G116-K120 WeakPolarHBondContact O-CB 3.2Å; G116-K120 PolarHBondContact O-N 2.83Å
117L80.1Confident74.4Confident19 Ų1954 Ų5410%0.09931%0.307CS..Hα-helixtrans-63.8-39.8176.8-68171.9000110.6L63 L66 K67 G111 S113 V114 R121L63-L117 HydrophobicContact CB-CD1 4.41Å; L63-L117 HydrophobicContact CD2-CD1 4.13Å; L66-L117 HydrophobicContact CD2-CB 3.74Å; L66-L117 HydrophobicContact CG-CB 4.4Å; K67-L117 HydrophobicContact CB-CD2 4.1Å; K67-L117 HydrophobicContact CG-CD2 4.14Å; G111-L117 WeakPolarHBondContact O-CD2 3.48Å; S113-L117 WeakPolarHBondContact O-CG 3.3Å; S113-L117 PolarHBondContact O-N 3.2Å; V114-L117 PolarHBondContact O-N 2.89Å; L117-R121 WeakPolarHBondContact O-CB 3.13Å; L117-R121 PolarHBondContact O-N 3.48Å
118L81.9Confident75.9Confident0 Ų053.9 Ų53.90%030%0.304CS..Hα-helixtrans-65.4-48.9175-79.3173.1000112.1V56 I58 L66 L76 L97 V114 G116 K120 R121 M122V56-L118 HydrophobicContact CB-CD1 4.23Å; V56-L118 HydrophobicContact CG1-CD1 3.8Å; V56-L118 HydrophobicContact CG1-CD2 4.36Å; I58-L118 HydrophobicContact CD1-CD1 3.94Å; I58-L118 HydrophobicContact CD1-CD2 3.92Å; I58-L118 HydrophobicContact CD1-CG 3.86Å; L66-L118 HydrophobicContact CD2-CD2 4.23Å; L66-L118 HydrophobicContact CD2-CG 4.34Å; L76-L118 HydrophobicContact CD1-CD2 3.51Å; L97-L118 HydrophobicContact CD2-CB 3.69Å; L97-L118 HydrophobicContact CD2-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 WeakPolarHBondContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 2.87Å; G116-L118 VanDerWaalsContact C-N 3.29Å; G116-L118 PolarHBondContact O-N 2.85Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 3.25Å; L118-R121 PolarHBondContact O-N 3.35Å; L118-M122 HydrophobicContact CD2-CE 4.41Å; L118-M122 WeakPolarHBondContact O-CB 3.49Å; L118-M122 VanDerWaalsContact O-CG 3.28Å; L118-M122 WeakPolarHBondContact O-CG 3.47Å; L118-M122 PolarHBondContact O-N 2.85Å
119L84.5Confident77.8Confident2 Ų246.7 Ų46.71%0.0127%0.267CS..Hα-helixtrans-61.3-44-178.7-173.967.4000111.1I16 L97 W105 L115 G116 M122 K123 A129 Y131I16-L119 HydrophobicContact CG2-CD2 3.6Å; I16-L119 HydrophobicContact CG2-CG 4.48Å; L97-L119 HydrophobicContact CD1-CD1 3.88Å; W105-L119 HydrophobicContact CD2-CD2 4.32Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 PolarHBondContact O-N 3.43Å; G116-L119 PolarHBondContact O-N 2.91Å; L119-M122 PolarHBondContact O-N 3.2Å; L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.72Å; L119-K123 VanDerWaalsContact O-N 3.13Å; L119-A129 HydrophobicContact CD1-CB 3.89Å; L119-Y131 HydrophobicContact CD2-CD1 4.15Å
120K82Confident79.6Confident129 Ų12943.5 Ų43.556%0.56124%0.244SC*.Hα-helixtrans-60.1-52173.5-178.6173.1-178.8170.60111.1G116 L118 M122 K123 D124G116-K120 WeakPolarHBondContact O-CB 3.2Å; G116-K120 PolarHBondContact O-N 2.83Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-K120 PolarHBondContact O-N 3.25Å; K120-M122 VanDerWaalsContact C-N 3.29Å; K120-M122 PolarHBondContact O-N 3.41Å; K120-K123 PolarHBondContact O-N 2.79Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.34Å
121R81.1Confident81.3Confident57 Ų5743 Ų4322%0.21524%0.24CC..Hα-helixtrans-61.9-38.2-178.4-177.659.1-177.4-159.3-2.1112.5L66 G69 I73 L117 L118 K123 D124 E125L66-R121 HydrophobicContact CD1-CG 4.22Å; G69-R121 VanDerWaalsContact CA-NH1 3.32Å; G69-R121 PolarHBondContact O-NH1 3.21Å; G69-R121 PolarHBondContact O-NH2 2.85Å; I73-R121 HydrophobicContact CD1-CB 4.44Å; I73-R121 HydrophobicContact CD1-CG 3.89Å; I73-R121 HydrophobicContact CG1-CG 4.03Å; L117-R121 WeakPolarHBondContact O-CB 3.13Å; L117-R121 PolarHBondContact O-N 3.48Å; L118-R121 PolarHBondContact O-N 3.35Å; R121-K123 VanDerWaalsContact C-N 3.32Å; R121-D124 PolarHBondContact O-N 2.82Å; R121-E125 IonicContact CZ-OE1 3.32Å; R121-E125 IonicContact NE-OE1 2.79Å; R121-E125 PolarHBondContact NE-OE1 2.96Å; R121-E125 IonicContact NH2-OE1 3.03Å; R121-E125 PolarHBondContact NH2-OE1 3.01Å; R121-E125 PolarHBondContact O-N 2.69Å
122M84.3Confident82.8Confident0 Ų041.6 Ų41.60%023%0.225CC..Hα-helixtrans-65.6-38.6178.6-79.2179.8-176.300112M37 I73 F86 I95 L97 L118 L119 K120 E125 G126 Y127 A129M37-M122 HydrophobicContact CE-CE 3.74Å; M37-M122 HydrophobicContact SD-CE 3.33Å; M37-M122 WeakPolarHBondContact SD-CE 3.34Å; M37-M122 HydrophobicContact SD-SD 4.38Å; I73-M122 HydrophobicContact CD1-CB 4.26Å; I73-M122 HydrophobicContact CD1-CE 4.31Å; I73-M122 HydrophobicContact CD1-CG 3.37Å; I73-M122 HydrophobicContact CG1-CG 4.45Å; I73-M122 HydrophobicContact CG2-CE 3.75Å; F86-M122 HydrophobicContact CE2-CE 4.16Å; F86-M122 HydrophobicContact CZ-CE 4.43Å; I95-M122 HydrophobicContact CD1-SD 4.21Å; I95-M122 HydrophobicContact CG2-CE 4.44Å; I95-M122 HydrophobicContact CG2-SD 3.9Å; L97-M122 HydrophobicContact CD1-SD 3.73Å; L97-M122 HydrophobicContact CD2-CE 3.92Å; L97-M122 HydrophobicContact CD2-SD 3.83Å; L97-M122 HydrophobicContact CG-SD 4.21Å; L118-M122 HydrophobicContact CD2-CE 4.41Å; L118-M122 WeakPolarHBondContact O-CB 3.49Å; L118-M122 VanDerWaalsContact O-CG 3.28Å; L118-M122 WeakPolarHBondContact O-CG 3.47Å; L118-M122 PolarHBondContact O-N 2.85Å; L119-M122 PolarHBondContact O-N 3.2Å; K120-M122 VanDerWaalsContact C-N 3.29Å; K120-M122 PolarHBondContact O-N 3.41Å; M122-E125 PolarHBondContact O-N 3.09Å; M122-G126 PolarHBondContact O-N 3.19Å; M122-Y127 HydrophobicContact CB-CD2 3.91Å; M122-Y127 HydrophobicContact CG-CD2 3.96Å; M122-Y127 WeakPolarHBondContact O-CB 3.48Å; M122-Y127 VanDerWaalsContact O-CD2 3.25Å; M122-Y127 WeakPolarHBondContact O-CD2 3.12Å; M122-Y127 PolarHBondContact O-N 3.28Å; M122-A129 HydrophobicContact CB-CB 3.66Å; M122-A129 HydrophobicContact CG-CB 4.44Å; M122-A129 HydrophobicContact SD-CB 4.02Å
123K82.5Confident84.2Confident80 Ų8042.3 Ų42.335%0.34822%0.218SC..Hα-helixtrans-69-41.7173.9-71.7179.2177-171.80112.3L119 K120 R121 E125 G126L119-K123 WeakPolarHBondContact O-CG 3.45Å; L119-K123 PolarHBondContact O-N 2.72Å; L119-K123 VanDerWaalsContact O-N 3.13Å; K120-K123 PolarHBondContact O-N 2.79Å; R121-K123 VanDerWaalsContact C-N 3.32Å; K123-E125 PolarHBondContact O-N 3.19Å; K123-G126 WeakPolarHBondContact O-CA 3.44Å; K123-G126 PolarHBondContact O-N 2.69Å
124D82.3Confident84.5Confident112 Ų11240.9 Ų40.960%0.59921%0.209SC*.Hα-helixtrans-59.4-34.8175-66.6-18.4000111.5K120 R121 G126K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.34Å; R121-D124 PolarHBondContact O-N 2.82Å; D124-G126 VanDerWaalsContact C-N 3.3Å
125E80.6Confident85.1Confident63 Ų6339 Ų3929%0.29420%0.198SC..THydrogen-bonded Turntrans-83.20174.1-70-172.2-163.500113.8R121 M122 K123 Y127R121-E125 IonicContact CZ-OE1 3.32Å; R121-E125 IonicContact NE-OE1 2.79Å; R121-E125 PolarHBondContact NE-OE1 2.96Å; R121-E125 IonicContact NH2-OE1 3.03Å; R121-E125 PolarHBondContact NH2-OE1 3.01Å; R121-E125 PolarHBondContact O-N 2.69Å; M122-E125 PolarHBondContact O-N 3.09Å; K123-E125 PolarHBondContact O-N 3.19Å; E125-Y127 HydrophobicContact CB-CD2 3.9Å; E125-Y127 HydrophobicContact CB-CE2 3.4Å; E125-Y127 VanDerWaalsContact CB-CE2 3.4Å; E125-Y127 HydrophobicContact CG-CE2 4.28Å; E125-Y127 WeakPolarHBondContact OE2-CE2 3.22Å; E125-Y127 PolarHBondContact OE2-OH 2.72Å
126G82.1Confident85.5Confident66 Ų6639 Ų3968%0.6820%0.197SC*.THydrogen-bonded Turntrans83.514.9174.100000115.9M122 K123 D124M122-G126 PolarHBondContact O-N 3.19Å; K123-G126 WeakPolarHBondContact O-CA 3.44Å; K123-G126 PolarHBondContact O-N 2.69Å; D124-G126 VanDerWaalsContact C-N 3.3Å
127Y86.8Confident85.9Confident29 Ų2941.1 Ų41.111%0.11421%0.212CC..  trans-78.5151.2177.2-50.8-60.2000112.2I73 C90 K91 I95 M122 E125 A129I73-Y127 HydrophobicContact CD1-CD2 4.22Å; I73-Y127 HydrophobicContact CD1-CE2 3.8Å; C90-Y127 HydrophobicContact CB-CD1 4.19Å; C90-Y127 HydrophobicContact CB-CE1 3.96Å; C90-Y127 WeakPolarHBondContact O-CD1 3.47Å; K91-Y127 HydrophobicContact CG-CE1 4.14Å; I95-Y127 HydrophobicContact CD1-CG 4.22Å; M122-Y127 HydrophobicContact CB-CD2 3.91Å; M122-Y127 HydrophobicContact CG-CD2 3.96Å; M122-Y127 WeakPolarHBondContact O-CB 3.48Å; M122-Y127 VanDerWaalsContact O-CD2 3.25Å; M122-Y127 WeakPolarHBondContact O-CD2 3.12Å; M122-Y127 PolarHBondContact O-N 3.28Å; E125-Y127 HydrophobicContact CB-CD2 3.9Å; E125-Y127 HydrophobicContact CB-CE2 3.4Å; E125-Y127 VanDerWaalsContact CB-CE2 3.4Å; E125-Y127 HydrophobicContact CG-CE2 4.28Å; E125-Y127 WeakPolarHBondContact OE2-CE2 3.22Å; E125-Y127 PolarHBondContact OE2-OH 2.72Å; Y127-A129 VanDerWaalsContact C-N 3.28Å; Y127-A129 PolarHBondContact O-N 3.21Å
128K88.8Confident86.4Confident130 Ų13043.7 Ų43.757%0.56522%0.222SC*.EExtended strand (participates in β ladder)trans-7974174.7-66.4178.5-176.4172.40110.6I95 F130I95-K128 PolarHBondContact N-O 3.34Å; K128-F130 HydrophobicContact CB-CE2 4.39Å
129A89.4Confident86.9Confident4 Ų443.7 Ų43.73%0.03322%0.222CC..EExtended strand (participates in β ladder)trans-104.7133.8-173.800000113.6I95 L97 L119 M122 Y127I95-A129 HydrophobicContact CB-CB 4.33Å; I95-A129 CarbonylContact O-C 3.37Å; I95-A129 WeakPolarHBondContact O-CA 3.34Å; L97-A129 HydrophobicContact CD1-CB 4.01Å; L119-A129 HydrophobicContact CD1-CB 3.89Å; M122-A129 HydrophobicContact CB-CB 3.66Å; M122-A129 HydrophobicContact CG-CB 4.44Å; M122-A129 HydrophobicContact SD-CB 4.02Å; Y127-A129 VanDerWaalsContact C-N 3.28Å; Y127-A129 PolarHBondContact O-N 3.21Å
130F91.3Very high87.3Confident44 Ų4446.9 Ų46.919%0.19324%0.237CC..EExtended strand (participates in β ladder)trans-133.5152.9178.9-56.1-92.6000110.3A15 I16 K18 T94 I95 V96 L97 K128A15-F130 WeakPolarHBondContact O-CE1 3.44Å; I16-F130 WeakPolarHBondContact O-CA 3.33Å; K18-F130 HydrophobicContact CD-CG 4.48Å; K18-F130 HydrophobicContact CG-CB 3.77Å; K18-F130 HydrophobicContact CG-CD1 4.43Å; K18-F130 HydrophobicContact CG-CG 4.01Å; T94-F130 HydrophobicContact CG2-CD2 3.64Å; T94-F130 HydrophobicContact CG2-CE2 3.72Å; I95-F130 PolarHBondContact O-N 3.41Å; V96-F130 CarbonylContact C-O 3.47Å; V96-F130 WeakPolarHBondContact CA-O 3.43Å; L97-F130 PolarHBondContact N-O 3.12Å; K128-F130 HydrophobicContact CB-CE2 4.39Å
131Y90.7Very high87.6Confident17 Ų1744.7 Ų44.77%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-96156168.176.9-82.1000111.9I16 S17 K18 L97 W105 L119 E133I16-Y131 HydrophobicContact CB-CD1 4.48Å; I16-Y131 HydrophobicContact CB-CE1 4.17Å; I16-Y131 HydrophobicContact CG2-CD1 3.89Å; I16-Y131 HydrophobicContact CG2-CE1 4Å; I16-Y131 WeakPolarHBondContact O-CD1 3.45Å; I16-Y131 WeakPolarHBondContact O-CE1 3.47Å; I16-Y131 PolarHBondContact O-N 3.3Å; S17-Y131 CarbonylContact C-O 3.59Å; S17-Y131 VanDerWaalsContact CA-O 3.28Å; S17-Y131 WeakPolarHBondContact CA-O 3.33Å; S17-Y131 VanDerWaalsContact CB-CE1 3.41Å; S17-Y131 VanDerWaalsContact CB-CZ 3.45Å; K18-Y131 PolarHBondContact N-O 3.17Å; L97-Y131 CarbonylContact O-C 3.58Å; L97-Y131 WeakPolarHBondContact O-CA 3.24Å; W105-Y131 HydrophobicContact CB-CD1 3.77Å; W105-Y131 HydrophobicContact CB-CE1 3.19Å; W105-Y131 HydrophobicContact CB-CE2 4.03Å; W105-Y131 HydrophobicContact CB-CG 4.42Å; W105-Y131 HydrophobicContact CG-CD1 4.26Å; W105-Y131 HydrophobicContact CG-CE1 4.01Å; W105-Y131 PolarHBondContact N-OH 3.4Å; W105-Y131 VanDerWaalsContact N-OH 3.13Å; L119-Y131 HydrophobicContact CD2-CD1 4.15Å; Y131-E133 HydrophobicContact CE2-CG 4.15Å
132L91.4Very high88.2Confident0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-86.7123.7174.7-170.764.9000111.5K18 V20 L23 V96 L97 Y98 G134 G135 F139K18-L132 WeakPolarHBondContact O-CA 3.38Å; V20-L132 HydrophobicContact CG1-CD1 4.11Å; V20-L132 HydrophobicContact CG1-CD2 4.39Å; V20-L132 HydrophobicContact CG1-CG 4.15Å; L23-L132 HydrophobicContact CB-CD1 3.87Å; L23-L132 HydrophobicContact CD2-CD1 3.65Å; L23-L132 HydrophobicContact CD2-CD2 3.63Å; L23-L132 HydrophobicContact CD2-CG 4.26Å; L23-L132 HydrophobicContact CG-CD1 4.4Å; V96-L132 HydrophobicContact CG1-CB 4.1Å; V96-L132 HydrophobicContact CG1-CD1 4.44Å; L97-L132 PolarHBondContact O-N 3.05Å; Y98-L132 HydrophobicContact CD1-CD2 4.41Å; Y98-L132 HydrophobicContact CG-CD2 4.3Å; L132-G134 PolarHBondContact O-N 3.41Å; L132-G135 PolarHBondContact O-N 2.94Å; L132-F139 HydrophobicContact CD2-CB 4.06Å; L132-F139 HydrophobicContact CD2-CD2 4.31Å; L132-F139 HydrophobicContact CD2-CG 4.38Å
133E89.5Confident88.6Confident57 Ų5747.7 Ų47.727%0.26626%0.259SS..THydrogen-bonded Turntrans-70.5127.8178.6-61.9-179.5177.200111.9S17 K18 V20 Y131 G135S17-E133 WeakPolarHBondContact CB-OE1 3.24Å; S17-E133 PolarHBondContact OG-OE1 3.45Å; K18-E133 PolarHBondContact O-N 2.91Å; V20-E133 WeakPolarHBondContact CG1-O 3.23Å; Y131-E133 HydrophobicContact CE2-CG 4.15Å; E133-G135 VanDerWaalsContact C-N 3.26Å
134G83.5Confident88.9Confident8 Ų847.8 Ų47.88%0.08227%0.268CS..THydrogen-bonded Turntrans82.9-2.1-176.900000114.4S102 L132 K138S102-G134 WeakPolarHBondContact O-CA 3.44Å; S102-G134 PolarHBondContact O-N 3.35Å; L132-G134 PolarHBondContact O-N 3.41Å; G134-K138 WeakPolarHBondContact O-CB 3.37Å; G134-K138 PolarHBondContact O-N 2.81Å
135G90.3Very high89.2Confident0 Ų047.3 Ų47.30%028%0.279CS..Hα-helixtrans63.2-164.7177.500000114.2D99 S102 L132 E133 S137 F139D99-G135 CarbonylContact O-C 3.55Å; D99-G135 WeakPolarHBondContact O-CA 3.4Å; S102-G135 PolarHBondContact O-N 2.89Å; L132-G135 PolarHBondContact O-N 2.94Å; E133-G135 VanDerWaalsContact C-N 3.26Å; G135-S137 VanDerWaalsContact C-N 3.35Å; G135-S137 PolarHBondContact O-N 2.95Å; G135-F139 PolarHBondContact O-N 3.37Å
136F92.9Very high89.6Confident2 Ų245 Ų451%0.00927%0.268CS..Hα-helixtrans-61.5-41.9179.1-176.3-105.2000112.3R40 S48 V50 Y98 D99 E100 K138 F139 Q140 C147R40-F136 VanDerWaalsContact CZ-CD1 3.48Å; R40-F136 VanDerWaalsContact CZ-CG 3.48Å; S48-F136 WeakPolarHBondContact O-CZ 3.43Å; S48-F136 WeakPolarHBondContact OG-CZ 3.17Å; V50-F136 HydrophobicContact CG2-CD2 3.87Å; V50-F136 HydrophobicContact CG2-CE2 3.96Å; Y98-F136 HydrophobicContact CD2-CB 3.78Å; Y98-F136 HydrophobicContact CD2-CD2 4.41Å; Y98-F136 HydrophobicContact CE2-CB 3.8Å; Y98-F136 AromaticContact CE2-CD2 3.73Å; Y98-F136 HydrophobicContact CE2-CD2 3.73Å; Y98-F136 HydrophobicContact CE2-CG 4.1Å; D99-F136 PolarHBondContact O-N 3.36Å; E100-F136 PolarHBondContact O-N 3.15Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 3.37Å; F136-F139 PolarHBondContact O-N 3.14Å; F136-F139 VanDerWaalsContact O-N 3.14Å; F136-Q140 HydrophobicContact CD1-CB 4.39Å; F136-Q140 HydrophobicContact CE1-CB 3.97Å; F136-Q140 HydrophobicContact CE1-CG 4.23Å; F136-Q140 HydrophobicContact CZ-CB 4.05Å; F136-Q140 HydrophobicContact CZ-CG 4.25Å; F136-Q140 WeakPolarHBondContact O-CB 3.27Å; F136-Q140 PolarHBondContact O-N 3.08Å; F136-C147 HydrophobicContact CZ-CB 4.35Å
137S88.4Confident90Very high44 Ų4442.5 Ų42.531%0.30824%0.24SC..Hα-helixtrans-59.1-42.9-176178.30000112.2E100 G135 A141E100-S137 VanDerWaalsContact O-CB 3.28Å; E100-S137 WeakPolarHBondContact O-CB 3.35Å; E100-S137 PolarHBondContact O-N 3.44Å; G135-S137 VanDerWaalsContact C-N 3.35Å; G135-S137 PolarHBondContact O-N 2.95Å; S137-A141 WeakPolarHBondContact O-CB 3.19Å; S137-A141 PolarHBondContact O-N 3.43Å; S137-A141 VanDerWaalsContact O-N 3.13Å
138K90.2Very high90.1Very high74 Ų7445 Ų4532%0.32225%0.253SS..Hα-helixtrans-66.9-45.6175.6-172.2-177.1175.7-169.80111.4V20 G134 F136 Q140 A141 E142V20-K138 HydrophobicContact CG1-CB 4.32Å; V20-K138 HydrophobicContact CG1-CD 4.16Å; V20-K138 HydrophobicContact CG1-CG 4.16Å; V20-K138 HydrophobicContact CG2-CD 4.16Å; V20-K138 HydrophobicContact CG2-CG 4.31Å; G134-K138 WeakPolarHBondContact O-CB 3.37Å; G134-K138 PolarHBondContact O-N 2.81Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 3.37Å; K138-Q140 PolarHBondContact O-N 2.91Å; K138-A141 PolarHBondContact O-N 3.3Å; K138-E142 WeakPolarHBondContact CE-OE1 3.4Å; K138-E142 WeakPolarHBondContact CG-OE1 3.19Å; K138-E142 PolarHBondContact O-N 3.47Å; K138-E142 VanDerWaalsContact O-N 3.16Å
139F93.1Very high89.7Confident0 Ų042.2 Ų42.20%025%0.247CC..Hα-helixtrans-60.7-44.9179.7-173-89.6000112V20 L23 Q24 L27 V50 L132 G135 F136 A141 E142 F143 Q146V20-F139 HydrophobicContact CB-CB 4.46Å; V20-F139 HydrophobicContact CB-CD2 3.89Å; V20-F139 HydrophobicContact CG1-CB 3.89Å; V20-F139 HydrophobicContact CG1-CD2 4.07Å; L23-F139 HydrophobicContact CB-CD2 4.45Å; L23-F139 HydrophobicContact CB-CE2 4.01Å; L23-F139 HydrophobicContact CD2-CD2 3.88Å; L23-F139 HydrophobicContact CD2-CE2 3.75Å; L23-F139 HydrophobicContact CD2-CZ 4.36Å; L23-F139 HydrophobicContact CG-CD2 4.37Å; L23-F139 HydrophobicContact CG-CE2 3.8Å; L23-F139 HydrophobicContact CG-CZ 4.4Å; Q24-F139 HydrophobicContact CB-CE2 4.26Å; L27-F139 HydrophobicContact CD1-CE2 4.42Å; L27-F139 HydrophobicContact CD1-CZ 3.73Å; V50-F139 HydrophobicContact CB-CE1 4.43Å; V50-F139 HydrophobicContact CG1-CE1 3.93Å; V50-F139 HydrophobicContact CG1-CZ 4.18Å; V50-F139 HydrophobicContact CG2-CD1 3.67Å; V50-F139 HydrophobicContact CG2-CE1 3.88Å; V50-F139 HydrophobicContact CG2-CG 4.29Å; L132-F139 HydrophobicContact CD2-CB 4.06Å; L132-F139 HydrophobicContact CD2-CD2 4.31Å; L132-F139 HydrophobicContact CD2-CG 4.38Å; G135-F139 PolarHBondContact O-N 3.37Å; F136-F139 PolarHBondContact O-N 3.14Å; F136-F139 VanDerWaalsContact O-N 3.14Å; F139-A141 PolarHBondContact O-N 3.02Å; F139-E142 PolarHBondContact O-N 3.46Å; F139-F143 HydrophobicContact CD2-CD2 4.04Å; F139-F143 HydrophobicContact CE1-CB 4.24Å; F139-F143 HydrophobicContact CE2-CB 4.45Å; F139-F143 AromaticContact CE2-CD2 3.95Å; F139-F143 HydrophobicContact CE2-CD2 3.95Å; F139-F143 HydrophobicContact CZ-CB 4.14Å; F139-F143 HydrophobicContact CZ-CD2 4.46Å; F139-F143 WeakPolarHBondContact O-CA 3.1Å; F139-F143 PolarHBondContact O-N 2.8Å; F139-Q146 HydrophobicContact CE1-CB 4.05Å; F139-Q146 HydrophobicContact CZ-CB 4.1Å
140Q92.8Very high88.4Confident69 Ų6947.5 Ų47.532%0.32227%0.274SS..Hα-helixtrans-65-38.8178.7-173.4-177.338.800112.1S48 F136 K138 E142 P144S48-Q140 PolarHBondContact OG-NE2 3.38Å; F136-Q140 HydrophobicContact CD1-CB 4.39Å; F136-Q140 HydrophobicContact CE1-CB 3.97Å; F136-Q140 HydrophobicContact CE1-CG 4.23Å; F136-Q140 HydrophobicContact CZ-CB 4.05Å; F136-Q140 HydrophobicContact CZ-CG 4.25Å; F136-Q140 WeakPolarHBondContact O-CB 3.27Å; F136-Q140 PolarHBondContact O-N 3.08Å; K138-Q140 PolarHBondContact O-N 2.91Å; Q140-E142 VanDerWaalsContact C-N 3.34Å; Q140-E142 PolarHBondContact O-N 3.11Å; Q140-P144 WeakPolarHBondContact O-CA 3.43Å; Q140-P144 WeakPolarHBondContact O-CB 3.45Å; Q140-P144 WeakPolarHBondContact O-CD 3.46Å
141A88.6Confident86.4Confident82 Ų8252.5 Ų52.568%0.67830%0.303SS*.Hα-helixtrans-65.3-37.4178.900000112.4S137 K138 F139S137-A141 WeakPolarHBondContact O-CB 3.19Å; S137-A141 PolarHBondContact O-N 3.43Å; S137-A141 VanDerWaalsContact O-N 3.13Å; K138-A141 PolarHBondContact O-N 3.3Å; F139-A141 PolarHBondContact O-N 3.02Å
142E92.6Very high84.1Confident84 Ų8459.1 Ų59.139%0.39334%0.344SS..Hα-helixtrans-91-32.6-176.8-66-179.7-152.600113V20 K138 F139 Q140 P144V20-E142 VanDerWaalsContact CG2-OE2 3.26Å; V20-E142 WeakPolarHBondContact CG2-OE2 3.28Å; K138-E142 WeakPolarHBondContact CE-OE1 3.4Å; K138-E142 WeakPolarHBondContact CG-OE1 3.19Å; K138-E142 PolarHBondContact O-N 3.47Å; K138-E142 VanDerWaalsContact O-N 3.16Å; F139-E142 PolarHBondContact O-N 3.46Å; Q140-E142 VanDerWaalsContact C-N 3.34Å; Q140-E142 PolarHBondContact O-N 3.11Å; E142-P144 VanDerWaalsContact C-CD 3.5Å
143F92.2Very high81.5Confident36 Ų3662.1 Ų62.116%0.15838%0.375CS..  trans-13356.7-174.2-51.7-63.8000113.3V20 E21 Q24 F139 A145 Q146V20-F143 HydrophobicContact CB-CD2 4.36Å; V20-F143 HydrophobicContact CB-CE2 4Å; V20-F143 HydrophobicContact CG2-CE2 3.99Å; E21-F143 HydrophobicContact CB-CZ 4.48Å; E21-F143 HydrophobicContact CG-CE2 4.48Å; E21-F143 HydrophobicContact CG-CZ 4.14Å; Q24-F143 HydrophobicContact CB-CD1 4.2Å; Q24-F143 HydrophobicContact CB-CD2 3.93Å; Q24-F143 HydrophobicContact CB-CE1 4.25Å; Q24-F143 HydrophobicContact CB-CE2 3.99Å; Q24-F143 HydrophobicContact CB-CG 4.03Å; Q24-F143 HydrophobicContact CB-CZ 4.15Å; Q24-F143 HydrophobicContact CG-CB 4.46Å; Q24-F143 HydrophobicContact CG-CD1 3.65Å; Q24-F143 HydrophobicContact CG-CD2 4.26Å; Q24-F143 HydrophobicContact CG-CE1 3.9Å; Q24-F143 HydrophobicContact CG-CE2 4.48Å; Q24-F143 HydrophobicContact CG-CG 3.85Å; Q24-F143 HydrophobicContact CG-CZ 4.3Å; F139-F143 HydrophobicContact CD2-CD2 4.04Å; F139-F143 HydrophobicContact CE1-CB 4.24Å; F139-F143 HydrophobicContact CE2-CB 4.45Å; F139-F143 AromaticContact CE2-CD2 3.95Å; F139-F143 HydrophobicContact CE2-CD2 3.95Å; F139-F143 HydrophobicContact CZ-CB 4.14Å; F139-F143 HydrophobicContact CZ-CD2 4.46Å; F139-F143 WeakPolarHBondContact O-CA 3.1Å; F139-F143 PolarHBondContact O-N 2.8Å; F143-A145 PolarHBondContact O-N 3.5Å; F143-A145 VanDerWaalsContact O-N 3.14Å; F143-Q146 PolarHBondContact O-N 3.39Å; F143-Q146 VanDerWaalsContact O-N 3.09Å
144P89.6Confident78.5Confident83 Ų8365.3 Ų65.354%0.53940%0.404SS..G310 helixtrans-61.8-28.1-174.824.7-34.8000113.9Q140 E142 Q146 C147Q140-P144 WeakPolarHBondContact O-CA 3.43Å; Q140-P144 WeakPolarHBondContact O-CB 3.45Å; Q140-P144 WeakPolarHBondContact O-CD 3.46Å; E142-P144 VanDerWaalsContact C-CD 3.5Å; P144-Q146 PolarHBondContact O-N 3.16Å; P144-C147 PolarHBondContact O-N 3.13Å
145A88.6Confident76.3Confident101 Ų10174.9 Ų74.984%0.83544%0.443SS*.G310 helixtrans-68.6-11179.500000114.1F143F143-A145 PolarHBondContact O-N 3.5Å; F143-A145 VanDerWaalsContact O-N 3.14Å
146Q89.8Confident73.2Confident16 Ų1682.5 Ų82.58%0.07548%0.484CS..G310 helixtrans-10917.7177.8-62.4-176.9-42.600112Q24 K28 E51 F139 F143 P144Q24-Q146 PolarHBondContact O-NE2 3.31Å; K28-Q146 VanDerWaalsContact CG-NE2 3.28Å; E51-Q146 PolarHBondContact N-O 3.49Å; F139-Q146 HydrophobicContact CE1-CB 4.05Å; F139-Q146 HydrophobicContact CZ-CB 4.1Å; F143-Q146 PolarHBondContact O-N 3.39Å; F143-Q146 VanDerWaalsContact O-N 3.09Å; P144-Q146 PolarHBondContact O-N 3.16Å
147C90.2Very high70.6Confident13 Ų1387.8 Ų87.89%0.08852%0.522CS..EExtended strand (participates in β ladder)trans-107.8127170.9-60.70000109.1H49 F136 P144 T149H49-C147 CarbonylContact O-C 3.57Å; H49-C147 WeakPolarHBondContact O-CA 3.44Å; F136-C147 HydrophobicContact CZ-CB 4.35Å; P144-C147 PolarHBondContact O-N 3.13Å; C147-T149 PolarHBondContact O-N 3.46Å
148E87.5Confident67.7Low82 Ų8291.2 Ų91.238%0.38355%0.545SS..EExtended strand (participates in β ladder)trans-72.7116.7167.2-72.6177.1-138.700107.4S48 H49 E51 T52S48-E148 CarbonylContact C-O 3.58Å; S48-E148 WeakPolarHBondContact CA-O 3.11Å; H49-E148 IonicContact CE1-OE2 3.66Å; H49-E148 PolarHBondContact N-O 3.33Å; H49-E148 IonicContact NE2-OE2 3.54Å; H49-E148 PolarHBondContact NE2-OE2 3.14Å; H49-E148 PolarHBondContact O-N 2.81Å; E51-E148 WeakPolarHBondContact CA-OE1 3.26Å; E51-E148 HydrophobicContact CB-CG 4.49Å; E51-E148 HydrophobicContact CG-CG 4.33Å; T52-E148 PolarHBondContact N-OE1 3.4Å
149T81.1Confident64.8Low71 Ų7193.3 Ų93.344%0.43657%0.57SS.*EExtended strand (participates in β ladder)trans-115.6122177.143.40000108.2S48 C147 L151S48-T149 VanDerWaalsContact OG-CG2 3.23Å; S48-T149 WeakPolarHBondContact OG-CG2 2.9Å; C147-T149 PolarHBondContact O-N 3.46Å; T149-L151 PolarHBondContact O-N 2.83Å
150N63.5Low61.9Low114 Ų11499.2 Ų99.261%0.6161%0.608SS**  trans-80.671.6175.6-73.5-50.6000109.6E46 S47 V152E46-N150 PolarHBondContact O-ND2 3.25Å; S47-N150 PolarHBondContact O-N 3.3Å; N150-V152 PolarHBondContact O-N 3.46Å
151L48.2Very low58.8Low150 Ų150102.1 Ų102.179%0.78563%0.631SS**  trans-78.5109.1160.6-78.3161.4000107.1T149 G153T149-L151 PolarHBondContact O-N 2.83Å; L151-G153 PolarHBondContact O-N 3.13Å
152V42.5Very low56.1Low156 Ų156103 Ų10395%0.94564%0.638SS**SBendtrans-54110.6174.5178.10000109N150N150-V152 PolarHBondContact O-N 3.46Å
153G36.5Very low53Low62 Ų62106.9 Ų106.964%0.63966%0.656SS**  trans161.455.4178.200000115.4L151L151-G153 PolarHBondContact O-N 3.13Å
154S27.6Very low50.1Low125 Ų125112.1 Ų112.187%0.87469%0.691SS**  trans-144.7106.3154-80.90000109.4N156S154-N156 PolarHBondContact O-N 3.4Å
155F36Very low47.3Very low208 Ų208115.8 Ų115.891%0.91271%0.705SS**  trans-58.7112.4165.6-72.1-92000108.6
156N26.3Very low44.5Very low160 Ų160114 Ų11486%0.85670%0.695SS**  trans-155.6128.1141.1-100.6-12.8000109.9S154 S158S154-N156 PolarHBondContact O-N 3.4Å; N156-S158 PolarHBondContact O-N 3.13Å
157S37.2Very low42Very low114 Ų114121.9 Ų121.980%0.79774%0.738SS**  trans-62.7120.2-179.851.30000112.6
158S27.7Very low39.1Very low115 Ų115125.2 Ų125.280%0.80477%0.774SS**  trans177.3101.6137.153.80000109.8N156N156-S158 PolarHBondContact O-N 3.13Å
159S29Very low36.4Very low119 Ų119124.7 Ų124.783%0.83279%0.79SS**PPolyproline II helixtrans-77.1139168.3220000110.8
160P31.7Very low33.9Very low123 Ų123129.5 Ų129.580%0.79981%0.812SS**PPolyproline II helixtrans-102.1125.115220.3-3.6000110
161T29.6Very low32.5Very low131 Ų131135.7 Ų135.780%0.80483%0.827SS**PPolyproline II helixtrans-61.6122.4169.945.50000111.5
162A31.4Very low31.7Very low100 Ų100136 Ų13683%0.82683%0.828SS**  trans-96115.516000000109
163Q26.1Very low31Very low165 Ų165134 Ų13477%0.77182%0.821SS**  trans-71.3126.8-177.5-65.2170.6-17.100110.9
164V31.3Very low30.7Very low147 Ų147135.9 Ų135.989%0.89182%0.824SS**  trans-94.5104.6161.8177.90000107.4
165L32.6Very low30.8Very low160 Ų160137.4 Ų137.484%0.83882%0.823SS**  trans-95.1121.5167.8-80.4166.1000108.8
166G29.2Very low30.6Very low62 Ų62132.9 Ų132.964%0.63982%0.817SS**SBendtrans155.983.2160.400000117.4
167L37.2Very low31.1Very low183 Ų183131 Ų13196%0.95882%0.816SS**  trans61.184149.1-70.1121.4000119
168G29.5Very low31Very low83 Ų83133 Ų13386%0.85682%0.818SS**  trans-134.367.4152.600000110
169G31Very low31.6Very low70 Ų70135.5 Ų135.572%0.72282%0.821SS**  trans-72.1142.117400000111.7
170L28.6Very low31.9Very low172 Ų172138.6 Ų138.690%0.90182%0.822SS**  trans83.289.3169.2-61.2161.2000116.5
171R32.3Very low32.2Very low244 Ų244137.4 Ų137.492%0.92182%0.816SS**  trans-106.4128.7140.2-71.6-157178-175.51.7109.3
172I31.6Very low32.4Very low157 Ų157138.4 Ų138.481%0.80582%0.817SS**  trans-68.7121.1175.4-68.3167.2000107.5
173S29.3Very low32.8Very low114 Ų114140.2 Ų140.280%0.79781%0.811SS**  trans-75.1134.1170.6-46.30000109.7
174S30.6Very low33.2Very low101 Ų101139.5 Ų139.571%0.70681%0.813SS**  trans-142120.1156.2-60.70000109.2
175D28.3Very low33.4Very low158 Ų158144.5 Ų144.585%0.84582%0.815SS**  trans75.494.4147.8-57.9-11000120.6
176S32.5Very low33.4Very low113 Ų113144.3 Ų144.379%0.7982%0.816SS**  trans-41.1140.6142.2-33.50000114
177S36.1Very low34.7Very low120 Ų120146.6 Ų146.684%0.83982%0.819SS**  -158.412012840.40000110.3
178D35.4Very low34.4Very low156 Ų156143.1 Ų143.183%0.83481%0.81SS**  trans-68.5143.2168.5-55.8-64.3000110.6
179I39.4Very low34.7Very low168 Ų168144.7 Ų144.786%0.86281%0.808SS**  trans-147.3115.6142.9-163.8136.9000110.3
180E37.2Very low34.8Very low184 Ų184146 Ų14686%0.8681%0.811SS**  trans-82.3148.9164.4-72.1-176133.100110.6
181S37.7Very low35.6Very low97 Ų97143.9 Ų143.968%0.67881%0.806SS**  trans150.4137.6151.647.50000107.2
182D33.7Very low35.7Very low153 Ų153139.4 Ų139.482%0.81880%0.8SS**  cis-165.2172.65.7-110.6-32.5000108.4
183I39.8Very low36.5Very low137 Ų137137.5 Ų137.570%0.70380%0.801SS**  trans-72.8153.7-166.6-73.6162.5000116.3
184D34.3Very low36.6Very low150 Ų150139.3 Ų139.380%0.80280%0.802SS**  trans69.6112.2154.7-67.9-22.4000123.1
185R34.8Very low37.1Very low252 Ų252137.6 Ų137.695%0.95180%0.8SS**  trans-167121.3131.5-110.8172.5-176.6156.42.5112.5
186D33.9Very low37.6Very low157 Ų157134.7 Ų134.784%0.8479%0.792SS**  trans-114.6172.7169.4-125.86000108.1
187P54.7Low38Very low109 Ų109135 Ų13571%0.70879%0.792SS**  -125.8151.1-56.131.5-14.5000111.2
188S32.2Very low38Very low111 Ų111137 Ų13778%0.77679%0.792SS**  trans-160.3112.1160.262.90000113.7
189S36.1Very low38.3Very low115 Ų115134.9 Ų134.980%0.80479%0.789SS**  trans23115.1140.961.10000119.1
190A32.8Very low38.2Very low97 Ų97133.9 Ų133.980%0.80279%0.785SS**  -163.8134.7126.600000110.1
191T44.9Very low38.2Very low128 Ų128130.5 Ų130.579%0.78578%0.78SS**  trans-45.7133.2163.247.30000111.8
192D34.2Very low38.7Very low150 Ų150133.6 Ų133.680%0.80278%0.783SS**  trans-168.4118.9135.6-93.8-28.9000111D194D192-D194 PolarHBondContact O-N 3.01Å
193S48.2Very low39.8Very low117 Ų117129.4 Ų129.482%0.81876%0.764SS**  trans30.686142.9-53.10000117.5G195S193-G195 VanDerWaalsContact C-N 3.29Å; S193-G195 PolarHBondContact O-N 3.11Å
194D32.7Very low41.2Very low153 Ų153127.1 Ų127.182%0.81876%0.76SS**  trans-79.385164.3-158.712.3000109D192 S196D192-D194 PolarHBondContact O-N 3.01Å; D194-S196 VanDerWaalsContact C-N 3.26Å; D194-S196 PolarHBondContact O-N 2.95Å
195G39.7Very low43.5Very low64 Ų64123.3 Ų123.366%0.6674%0.737SS**  trans-63.495.4157.500000107.5S193S193-G195 VanDerWaalsContact C-N 3.29Å; S193-G195 PolarHBondContact O-N 3.11Å
196S38.6Very low46.3Very low97 Ų97111.4 Ų111.468%0.67869%0.692SS**  trans-42.2127172.742.60000110.2D194 L198D194-S196 VanDerWaalsContact C-N 3.26Å; D194-S196 PolarHBondContact O-N 2.95Å; S196-L198 PolarHBondContact O-N 3.27Å
197P41.4Very low49.2Very low121 Ų121104.4 Ų104.479%0.78666%0.655SS**  trans-61.8113.5178.822.3-29.3000108.4S199P197-S199 PolarHBondContact O-N 2.9Å
198L36.3Very low51.3Low162 Ų162103.2 Ų103.285%0.84864%0.64SS**  trans-9.6114.1166.7-68.5153.7000113S196 N200S196-L198 PolarHBondContact O-N 3.27Å; L198-N200 PolarHBondContact O-N 3.27Å
199S42.9Very low54.4Low110 Ų11098 Ų9877%0.76960%0.604SS**  trans-29.4124.6149.7-40.40000109.2P197 P201P197-S199 PolarHBondContact O-N 2.9Å; S199-P201 WeakPolarHBondContact O-CD 3.39Å
200N35.7Very low57.3Low147 Ų14794 Ų9479%0.78657%0.573SS**  trans-39.1118.6167.1-103.3-4.8000107.8L198 Q202L198-N200 PolarHBondContact O-N 3.27Å; N200-Q202 PolarHBondContact O-N 3.04Å
201P38.1Very low60.4Low114 Ų11493.2 Ų93.274%0.7456%0.56SS**  trans-60.2111.1-176.7-14.424000106.4S199 P203S199-P201 WeakPolarHBondContact O-CD 3.39Å; P201-P203 WeakPolarHBondContact O-CD 3.1Å; P201-P203 VanDerWaalsContact O-N 3.15Å
202Q47.2Very low62.9Low162 Ų16290.5 Ų90.576%0.75754%0.538SS*.PPolyproline II helixtrans-53.9123.8160.3-73.6-69.2-40.400104.8N200 S204N200-Q202 PolarHBondContact O-N 3.04Å; Q202-S204 PolarHBondContact O-N 2.83Å; Q202-S204 VanDerWaalsContact O-N 3.11Å
203P56.7Low66Low64 Ų6483.3 Ų83.342%0.41650%0.5SS..PPolyproline II helixtrans-54.5127-179.419.9-29.7000107.9P201 F205P201-P203 WeakPolarHBondContact O-CD 3.1Å; P201-P203 VanDerWaalsContact O-N 3.15Å; P203-F205 PolarHBondContact O-N 3.23Å
204S69.4Low68.4Low89 Ų8978.5 Ų78.562%0.62246%0.464SS*.PPolyproline II helixtrans-54125176.250.50000108.3Q202 P206Q202-S204 PolarHBondContact O-N 2.83Å; Q202-S204 VanDerWaalsContact O-N 3.11Å; S204-P206 CarbonylContact O-C 3.54Å
205F82.6Confident71.5Confident70 Ų7071.2 Ų71.231%0.30743%0.425SS..SBendtrans-83.8145172.1-78.7-79.7000109.7P203 V207 D220 K326P203-F205 PolarHBondContact O-N 3.23Å; F205-V207 HydrophobicContact CD1-CG2 3.95Å; F205-V207 HydrophobicContact CE1-CG2 3.71Å; F205-V207 HydrophobicContact CZ-CG2 4.4Å; F205-D220 WeakPolarHBondContact CB-OD1 3.29Å; F205-K326 HydrophobicContact CE1-CD 4.23Å; F205-K326 VanDerWaalsContact CZ-NZ 3.29Å
206P93.6Very high74.3Confident2 Ų268.2 Ų68.21%0.01339%0.394CS..SBendcis-75.2156.2-2.634.2-38.6000112.7S204 Y214 D220 I226 F230 I232 L289S204-P206 CarbonylContact O-C 3.54Å; P206-Y214 HydrophobicContact CG-CD1 4.29Å; P206-Y214 HydrophobicContact CG-CG 4.4Å; P206-D220 HydrophobicContact CB-CB 4.37Å; P206-I226 HydrophobicContact CG-CG2 4.17Å; P206-F230 HydrophobicContact CG-CD2 4.17Å; P206-F230 HydrophobicContact CG-CE2 4.46Å; P206-I232 HydrophobicContact CG-CD1 4.22Å; P206-L289 HydrophobicContact CB-CD1 3.71Å; P206-L289 HydrophobicContact CG-CD1 4.24Å
207V96.1Very high77Confident11 Ų1164.5 Ų64.57%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-84.7122.5-177.9179.70000109.9F205 I209 Y214 L215 K325 K326F205-V207 HydrophobicContact CD1-CG2 3.95Å; F205-V207 HydrophobicContact CE1-CG2 3.71Å; F205-V207 HydrophobicContact CZ-CG2 4.4Å; V207-I209 HydrophobicContact CG1-CD1 4Å; V207-I209 PolarHBondContact O-N 2.65Å; V207-Y214 WeakPolarHBondContact O-CA 3.36Å; V207-L215 PolarHBondContact N-O 3.4Å; V207-L215 PolarHBondContact O-N 3.31Å; V207-K325 HydrophobicContact CG1-CB 3.9Å; V207-K326 HydrophobicContact CG2-CB 4.48Å; V207-K326 HydrophobicContact CG2-CD 4.39Å
208E97.5Very high79.6Confident84 Ų8459.7 Ų59.739%0.39334%0.338SS..EExtended strand (participates in β ladder)trans-74.5113.1174.4-168.6-179.4-158.300111.2L210 P211 H212 Y214 K325E208-L210 VanDerWaalsContact CG-O 3.29Å; E208-L210 WeakPolarHBondContact CG-O 3.41Å; E208-P211 WeakPolarHBondContact OE1-CA 3.25Å; E208-H212 PolarHBondContact OE1-N 3.4Å; E208-Y214 HydrophobicContact CB-CD1 3.73Å; E208-Y214 HydrophobicContact CB-CE1 3.61Å; E208-Y214 HydrophobicContact CG-CD1 4Å; E208-Y214 HydrophobicContact CG-CE1 3.66Å; E208-K325 WeakPolarHBondContact O-CD 3.21Å; E208-K325 PolarHBondContact O-NZ 3.19Å
209I97.8Very high82.4Confident1 Ų160 Ų601%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-87.7-45.2-179-58.2-59.2000111.1V207 L213 L215 T303 L307 V322 K325V207-I209 HydrophobicContact CG1-CD1 4Å; V207-I209 PolarHBondContact O-N 2.65Å; I209-L213 HydrophobicContact CB-CD2 4.49Å; I209-L213 HydrophobicContact CB-CG 4.39Å; I209-L213 PolarHBondContact N-O 3.11Å; I209-L215 HydrophobicContact CD1-CB 4.17Å; I209-L215 HydrophobicContact CD1-CD2 4.23Å; I209-L215 HydrophobicContact CG1-CB 3.72Å; I209-L215 HydrophobicContact CG1-CD2 4.47Å; I209-T303 HydrophobicContact CB-CG2 4.33Å; I209-T303 HydrophobicContact CG1-CG2 4.05Å; I209-T303 HydrophobicContact CG2-CG2 3.98Å; I209-L307 HydrophobicContact CG2-CD1 3.94Å; I209-L307 HydrophobicContact CG2-CD2 4.25Å; I209-L307 HydrophobicContact CG2-CG 4.48Å; I209-V322 HydrophobicContact CD1-CG1 4.05Å; I209-V322 HydrophobicContact CG2-CG2 4.27Å; I209-K325 HydrophobicContact CD1-CB 4.06Å; I209-K325 HydrophobicContact CD1-CD 4.14Å; I209-K325 WeakPolarHBondContact O-CE 3.17Å; I209-K325 PolarHBondContact O-NZ 2.97Å
210L97.1Very high84.8Confident32 Ų3255.2 Ų55.217%0.16830%0.298CS..EExtended strand (participates in β ladder)trans-137164.9170.4-67.9178.8000108.2E208 H212 L213 Y306 L307 L311E208-L210 VanDerWaalsContact CG-O 3.29Å; E208-L210 WeakPolarHBondContact CG-O 3.41Å; L210-H212 PolarHBondContact O-N 3.41Å; L210-H212 VanDerWaalsContact O-N 3.07Å; L210-L213 HydrophobicContact CB-CB 4.15Å; L210-L213 HydrophobicContact CB-CD2 4.44Å; L210-L213 HydrophobicContact CD1-CD2 4.4Å; L210-L213 PolarHBondContact N-O 3.3Å; L210-L213 PolarHBondContact O-N 2.91Å; L210-Y306 HydrophobicContact CD1-CE1 4.29Å; L210-L307 HydrophobicContact CD1-CD2 3.41Å; L210-L307 VanDerWaalsContact CD1-CD2 3.41Å; L210-L307 HydrophobicContact CD2-CD2 4.43Å; L210-L307 HydrophobicContact CG-CD2 3.81Å; L210-L311 HydrophobicContact CD1-CD1 4.27Å; L210-L311 HydrophobicContact CD2-CD1 4.4Å
211P97.3Very high87.7Confident80 Ų8048.6 Ų48.652%0.51926%0.264SS..THydrogen-bonded Turntrans-47121.3170.3-30.236.8000111.5E208 L213 R282E208-P211 WeakPolarHBondContact OE1-CA 3.25Å; P211-L213 VanDerWaalsContact C-N 3.27Å; P211-L213 PolarHBondContact O-N 2.8Å; P211-R282 PolarHBondContact O-NE 2.96Å; P211-R282 VanDerWaalsContact O-NE 3.13Å; P211-R282 PolarHBondContact O-NH2 3.33Å
212H98.3Very high90.4Very high70 Ų7046.4 Ų46.432%0.32425%0.248SC..THydrogen-bonded Turntrans66.114.5-178.2-49.8-69.2000116.2E208 L210 R282 V288E208-H212 PolarHBondContact OE1-N 3.4Å; L210-H212 PolarHBondContact O-N 3.41Å; L210-H212 VanDerWaalsContact O-N 3.07Å; H212-R282 HydrophobicContact CB-CG 4.34Å; H212-V288 WeakPolarHBondContact O-CG1 3.39Å; H212-V288 PolarHBondContact O-N 2.8Å
213L98.7Very high92.7Very high0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-121112.7173.7172.360000110.1I209 L210 P211 I278 V288 V290 T303 Y306I209-L213 HydrophobicContact CB-CD2 4.49Å; I209-L213 HydrophobicContact CB-CG 4.39Å; I209-L213 PolarHBondContact N-O 3.11Å; L210-L213 HydrophobicContact CB-CB 4.15Å; L210-L213 HydrophobicContact CB-CD2 4.44Å; L210-L213 HydrophobicContact CD1-CD2 4.4Å; L210-L213 PolarHBondContact N-O 3.3Å; L210-L213 PolarHBondContact O-N 2.91Å; P211-L213 VanDerWaalsContact C-N 3.27Å; P211-L213 PolarHBondContact O-N 2.8Å; L213-I278 HydrophobicContact CD1-CG2 3.96Å; L213-V288 HydrophobicContact CD1-CG1 3.92Å; L213-V290 HydrophobicContact CD1-CG2 3.86Å; L213-T303 HydrophobicContact CD2-CG2 4.49Å; L213-Y306 HydrophobicContact CD2-CD1 3.54Å; L213-Y306 HydrophobicContact CD2-CE1 3.76Å
214Y98.8Very high94.5Very high15 Ų1541.2 Ų41.26%0.05922%0.222CC..EExtended strand (participates in β ladder)trans-114.4137.6-176.5-57.5-86.4000111P206 V207 E208 F230 I232 V288 L289 V290P206-Y214 HydrophobicContact CG-CD1 4.29Å; P206-Y214 HydrophobicContact CG-CG 4.4Å; V207-Y214 WeakPolarHBondContact O-CA 3.36Å; E208-Y214 HydrophobicContact CB-CD1 3.73Å; E208-Y214 HydrophobicContact CB-CE1 3.61Å; E208-Y214 HydrophobicContact CG-CD1 4Å; E208-Y214 HydrophobicContact CG-CE1 3.66Å; Y214-F230 HydrophobicContact CD1-CD1 4.27Å; Y214-F230 HydrophobicContact CD1-CG 4.45Å; Y214-F230 HydrophobicContact CE1-CB 4.02Å; Y214-F230 AromaticContact CE1-CD1 3.46Å; Y214-F230 HydrophobicContact CE1-CD1 3.46Å; Y214-F230 VanDerWaalsContact CE1-CD1 3.46Å; Y214-F230 HydrophobicContact CE1-CE1 4.21Å; Y214-F230 AromaticContact CE1-CG 3.93Å; Y214-F230 HydrophobicContact CE1-CG 3.93Å; Y214-F230 HydrophobicContact CE2-CB 4.09Å; Y214-F230 AromaticContact CZ-CD1 3.82Å; Y214-F230 PolarHBondContact OH-O 2.63Å; Y214-I232 HydrophobicContact CD2-CD1 4.04Å; Y214-I232 HydrophobicContact CD2-CG1 3.83Å; Y214-I232 HydrophobicContact CE2-CG1 4.08Å; Y214-I232 HydrophobicContact CG-CD1 4.28Å; Y214-V288 PolarHBondContact N-O 3.17Å; Y214-L289 WeakPolarHBondContact O-CA 3.49Å; Y214-V290 PolarHBondContact O-N 3.17Å
215L98.6Very high95.7Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-109.3125.7175.417164.4000109.6V207 I209 S299 V300 V322 K326V207-L215 PolarHBondContact N-O 3.4Å; V207-L215 PolarHBondContact O-N 3.31Å; I209-L215 HydrophobicContact CD1-CB 4.17Å; I209-L215 HydrophobicContact CD1-CD2 4.23Å; I209-L215 HydrophobicContact CG1-CB 3.72Å; I209-L215 HydrophobicContact CG1-CD2 4.47Å; L215-S299 WeakPolarHBondContact CD1-OG 3.34Å; L215-V300 HydrophobicContact CD1-CG2 4.23Å; L215-V300 HydrophobicContact CD2-CG2 3.86Å; L215-V322 HydrophobicContact CD2-CG1 3.74Å; L215-K326 HydrophobicContact CD2-CD 3.87Å; L215-K326 HydrophobicContact CG-CD 4.42Å
216G97Very high96.2Very high1 Ų141 Ų411%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-147.2-169.9-176.900000115.5D220 V290 H291 G295G216-D220 WeakPolarHBondContact CA-OD2 3.36Å; G216-V290 PolarHBondContact N-O 3.04Å; G216-H291 WeakPolarHBondContact O-CA 3.39Å; G216-G295 WeakPolarHBondContact O-CA 3.46Å
217C95.9Very high96.4Very high20 Ų2040.9 Ų40.914%0.13522%0.216CC..  trans-118.7-177.9-179.973.70000111.3K219 D220 S221 C292 L293C217-K219 VanDerWaalsContact C-N 3.29Å; C217-K219 PolarHBondContact O-N 2.85Å; C217-D220 PolarHBondContact N-OD2 3.43Å; C217-D220 PolarHBondContact O-N 3.33Å; C217-D220 PolarHBondContact SG-OD2 2.91Å; C217-S221 PolarHBondContact O-N 3Å; C217-C292 CarbonylContact C-O 3.29Å; C217-L293 WeakPolarHBondContact CB-O 3.1Å
218A95.6Very high96.3Very high19 Ų1945.4 Ų45.416%0.15724%0.236CC..Hα-helixtrans-59.5-39.5-179.800000112.3D220 S221 T222 L242 C292 L293A218-D220 VanDerWaalsContact C-N 3.3Å; A218-D220 PolarHBondContact O-N 3.39Å; A218-S221 PolarHBondContact O-N 3.02Å; A218-S221 PolarHBondContact O-OG 2.8Å; A218-T222 WeakPolarHBondContact O-CG2 3.46Å; A218-T222 PolarHBondContact O-N 3.42Å; A218-L242 HydrophobicContact CB-CD1 3.73Å; A218-C292 PolarHBondContact N-O 3Å; A218-L293 HydrophobicContact CB-CD1 4.2Å; A218-L293 PolarHBondContact N-O 3.15Å
219K95.4Very high96.2Very high168 Ų16848.5 Ų48.573%0.7325%0.251SS*.Hα-helixtrans-61.7-39.8-178.8-62.4-179.4179.9179.50112C217 S221 T222 N223C217-K219 VanDerWaalsContact C-N 3.29Å; C217-K219 PolarHBondContact O-N 2.85Å; K219-S221 VanDerWaalsContact C-N 3.31Å; K219-S221 PolarHBondContact O-N 3.26Å; K219-T222 PolarHBondContact O-N 3.17Å; K219-T222 PolarHBondContact O-OG1 3.18Å; K219-N223 PolarHBondContact O-N 2.74Å
220D94.3Very high96.1Very high11 Ų1150.5 Ų50.56%0.05926%0.259CS..Hα-helixtrans-65.7-38.3179.6-47.8-33.9000110.6F205 P206 G216 C217 A218 T222 N223 L289F205-D220 WeakPolarHBondContact CB-OD1 3.29Å; P206-D220 HydrophobicContact CB-CB 4.37Å; G216-D220 WeakPolarHBondContact CA-OD2 3.36Å; C217-D220 PolarHBondContact N-OD2 3.43Å; C217-D220 PolarHBondContact O-N 3.33Å; C217-D220 PolarHBondContact SG-OD2 2.91Å; A218-D220 VanDerWaalsContact C-N 3.3Å; A218-D220 PolarHBondContact O-N 3.39Å; D220-T222 PolarHBondContact O-N 3.3Å; D220-N223 PolarHBondContact O-N 3.42Å; D220-L289 HydrophobicContact CB-CD2 4.33Å
221S95.8Very high96.1Very high8 Ų850.7 Ų50.76%0.05627%0.269CS..Hα-helixtrans-68.3-17.2179.271.80000114.5C217 A218 K219 H291C217-S221 PolarHBondContact O-N 3Å; A218-S221 PolarHBondContact O-N 3.02Å; A218-S221 PolarHBondContact O-OG 2.8Å; K219-S221 VanDerWaalsContact C-N 3.31Å; K219-S221 PolarHBondContact O-N 3.26Å; S221-H291 VanDerWaalsContact CB-CE1 3.49Å; S221-H291 WeakPolarHBondContact CB-CE1 3.4Å; S221-H291 PolarHBondContact OG-CE1 3.47Å; S221-H291 VanDerWaalsContact OG-CE1 3.29Å
222T95.3Very high96.1Very high67 Ų6746.9 Ų46.941%0.41124%0.244SC..THydrogen-bonded Turntrans-104.80.3-178.864.80000112.9A218 K219 D220 M245A218-T222 WeakPolarHBondContact O-CG2 3.46Å; A218-T222 PolarHBondContact O-N 3.42Å; K219-T222 PolarHBondContact O-N 3.17Å; K219-T222 PolarHBondContact O-OG1 3.18Å; D220-T222 PolarHBondContact O-N 3.3Å; T222-M245 HydrophobicContact CG2-CB 4.38Å; T222-M245 HydrophobicContact CG2-CG 3.26Å; T222-M245 HydrophobicContact CG2-SD 4.25Å
223N94.4Very high96.1Very high55 Ų5547.1 Ų47.129%0.29424%0.244SC..  trans-102.2102-175.9-173.8-30.7000110.1K219 D220 D225 I226 L227K219-N223 PolarHBondContact O-N 2.74Å; D220-N223 PolarHBondContact O-N 3.42Å; N223-D225 PolarHBondContact O-N 2.68Å; N223-D225 PolarHBondContact OD1-N 2.99Å; N223-I226 HydrophobicContact CB-CB 4.09Å; N223-I226 HydrophobicContact CB-CD1 4.04Å; N223-I226 HydrophobicContact CB-CG1 4.23Å; N223-I226 WeakPolarHBondContact ND2-CD1 3.21Å; N223-I226 PolarHBondContact O-N 2.8Å; N223-I226 PolarHBondContact OD1-N 3.11Å; N223-I226 VanDerWaalsContact OD1-N 3.17Å; N223-L227 VanDerWaalsContact O-CG 3.24Å; N223-L227 WeakPolarHBondContact O-CG 3.5Å; N223-L227 PolarHBondContact O-N 3.47Å; N223-L227 VanDerWaalsContact O-N 3.07Å
224L95.4Very high96.1Very high63 Ų6347.8 Ų47.833%0.3325%0.247SC..Hα-helixtrans-62.4-41.3-176.3-172.962.9000112.4I226 L227 E228 F246 F252L224-I226 VanDerWaalsContact C-N 3.33Å; L224-I226 PolarHBondContact O-N 3.1Å; L224-L227 PolarHBondContact O-N 3.47Å; L224-L227 VanDerWaalsContact O-N 3.13Å; L224-E228 HydrophobicContact CD1-CG 4.44Å; L224-E228 HydrophobicContact CG-CG 4.46Å; L224-E228 WeakPolarHBondContact O-CG 3.14Å; L224-E228 PolarHBondContact O-N 3.33Å; L224-F246 HydrophobicContact CB-CE1 4.43Å; L224-F246 HydrophobicContact CB-CZ 3.98Å; L224-F246 HydrophobicContact CD1-CZ 4.46Å; L224-F252 HydrophobicContact CD1-CE2 3.76Å; L224-F252 HydrophobicContact CD1-CZ 3.65Å
225D94.9Very high96.1Very high121 Ų12147 Ų4765%0.64724%0.244SC*.Hα-helixtrans-60.1-45.2-178.5-56.2-37.9000110.9N223 E228 E229N223-D225 PolarHBondContact O-N 2.68Å; N223-D225 PolarHBondContact OD1-N 2.99Å; D225-E228 PolarHBondContact O-N 2.75Å; D225-E229 VanDerWaalsContact O-CB 3.28Å; D225-E229 WeakPolarHBondContact O-CB 3.14Å; D225-E229 PolarHBondContact O-N 3.13Å
226I93.3Very high96.1Very high33 Ų3347 Ų4717%0.16924%0.244CC..Hα-helixtrans-64-44.2175.8-71.9-179.7000110.9P206 N223 L224 E228 E229 F230P206-I226 HydrophobicContact CG-CG2 4.17Å; N223-I226 HydrophobicContact CB-CB 4.09Å; N223-I226 HydrophobicContact CB-CD1 4.04Å; N223-I226 HydrophobicContact CB-CG1 4.23Å; N223-I226 WeakPolarHBondContact ND2-CD1 3.21Å; N223-I226 PolarHBondContact O-N 2.8Å; N223-I226 PolarHBondContact OD1-N 3.11Å; N223-I226 VanDerWaalsContact OD1-N 3.17Å; L224-I226 VanDerWaalsContact C-N 3.33Å; L224-I226 PolarHBondContact O-N 3.1Å; I226-E228 VanDerWaalsContact C-N 3.28Å; I226-E228 PolarHBondContact O-N 3.44Å; I226-E229 PolarHBondContact O-N 3.49Å; I226-F230 HydrophobicContact CG2-CD2 3.8Å; I226-F230 HydrophobicContact CG2-CE2 4.03Å; I226-F230 VanDerWaalsContact O-CD2 3.24Å; I226-F230 WeakPolarHBondContact O-CD2 3.41Å; I226-F230 PolarHBondContact O-N 3.4Å; I226-F230 VanDerWaalsContact O-N 3.1Å
227L96.3Very high96.2Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-61.6-39.7179.6-67.4171.8000111.4N223 L224 G231 I232 I235 F246 F252 L289N223-L227 VanDerWaalsContact O-CG 3.24Å; N223-L227 WeakPolarHBondContact O-CG 3.5Å; N223-L227 PolarHBondContact O-N 3.47Å; N223-L227 VanDerWaalsContact O-N 3.07Å; L224-L227 PolarHBondContact O-N 3.47Å; L224-L227 VanDerWaalsContact O-N 3.13Å; L227-G231 PolarHBondContact O-N 2.8Å; L227-I232 HydrophobicContact CB-CB 4.42Å; L227-I232 HydrophobicContact CD2-CB 3.94Å; L227-I232 HydrophobicContact CD2-CD1 3.89Å; L227-I232 HydrophobicContact CD2-CG2 3.7Å; L227-I232 WeakPolarHBondContact O-CB 3.06Å; L227-I232 PolarHBondContact O-N 3.28Å; L227-I235 HydrophobicContact CD1-CD1 3.93Å; L227-I235 HydrophobicContact CD2-CD1 4.06Å; L227-I235 HydrophobicContact CD2-CG1 4.47Å; L227-F246 HydrophobicContact CD1-CD2 3.85Å; L227-F246 HydrophobicContact CD1-CE2 3.72Å; L227-F252 HydrophobicContact CB-CE1 3.88Å; L227-F252 HydrophobicContact CB-CZ 4.06Å; L227-F252 HydrophobicContact CD1-CE1 3.97Å; L227-F252 HydrophobicContact CD1-CZ 3.98Å; L227-F252 HydrophobicContact CG-CE1 4.43Å; L227-L289 HydrophobicContact CD2-CD2 3.88Å
228E95.3Very high96.3Very high105 Ų10546 Ų4649%0.49124%0.237SC..Hα-helixtrans-69.9-46.1175.9-71.6-177.2-177.300112.4L224 D225 I226 F230 G231L224-E228 HydrophobicContact CD1-CG 4.44Å; L224-E228 HydrophobicContact CG-CG 4.46Å; L224-E228 WeakPolarHBondContact O-CG 3.14Å; L224-E228 PolarHBondContact O-N 3.33Å; D225-E228 PolarHBondContact O-N 2.75Å; I226-E228 VanDerWaalsContact C-N 3.28Å; I226-E228 PolarHBondContact O-N 3.44Å; E228-F230 VanDerWaalsContact C-N 3.3Å; E228-F230 PolarHBondContact O-N 3.38Å; E228-G231 PolarHBondContact O-N 3.32Å
229E94.8Very high96.4Very high149 Ų14945.2 Ų45.270%0.69623%0.23SC*.Hα-helixtrans-55-44.7179.4-177.6-179.1174.100111.8D225 I226 G231D225-E229 VanDerWaalsContact O-CB 3.28Å; D225-E229 WeakPolarHBondContact O-CB 3.14Å; D225-E229 PolarHBondContact O-N 3.13Å; I226-E229 PolarHBondContact O-N 3.49Å; E229-G231 VanDerWaalsContact C-N 3.3Å; E229-G231 PolarHBondContact O-N 3.06Å
230F95.4Very high96.2Very high43 Ų4339.4 Ų39.419%0.18921%0.21CC..THydrogen-bonded Turntrans-87.24.8-180-69.8-69.9000114P206 Y214 I226 E228 I232P206-F230 HydrophobicContact CG-CD2 4.17Å; P206-F230 HydrophobicContact CG-CE2 4.46Å; Y214-F230 HydrophobicContact CD1-CD1 4.27Å; Y214-F230 HydrophobicContact CD1-CG 4.45Å; Y214-F230 HydrophobicContact CE1-CB 4.02Å; Y214-F230 AromaticContact CE1-CD1 3.46Å; Y214-F230 HydrophobicContact CE1-CD1 3.46Å; Y214-F230 VanDerWaalsContact CE1-CD1 3.46Å; Y214-F230 HydrophobicContact CE1-CE1 4.21Å; Y214-F230 AromaticContact CE1-CG 3.93Å; Y214-F230 HydrophobicContact CE1-CG 3.93Å; Y214-F230 HydrophobicContact CE2-CB 4.09Å; Y214-F230 AromaticContact CZ-CD1 3.82Å; Y214-F230 PolarHBondContact OH-O 2.63Å; I226-F230 HydrophobicContact CG2-CD2 3.8Å; I226-F230 HydrophobicContact CG2-CE2 4.03Å; I226-F230 VanDerWaalsContact O-CD2 3.24Å; I226-F230 WeakPolarHBondContact O-CD2 3.41Å; I226-F230 PolarHBondContact O-N 3.4Å; I226-F230 VanDerWaalsContact O-N 3.1Å; E228-F230 VanDerWaalsContact C-N 3.3Å; E228-F230 PolarHBondContact O-N 3.38Å; F230-I232 HydrophobicContact CB-CD1 3.79Å; F230-I232 HydrophobicContact CB-CG1 3.97Å; F230-I232 PolarHBondContact O-N 2.82Å
231G96.9Very high95.9Very high36 Ų3645.9 Ų45.937%0.37124%0.244SC..THydrogen-bonded Turntrans61.231.8-179.700000113.1L227 E228 E229 K233 G287L227-G231 PolarHBondContact O-N 2.8Å; E228-G231 PolarHBondContact O-N 3.32Å; E229-G231 VanDerWaalsContact C-N 3.3Å; E229-G231 PolarHBondContact O-N 3.06Å; G231-K233 PolarHBondContact O-N 2.65Å; G231-G287 WeakPolarHBondContact O-CA 3.45Å; G231-G287 PolarHBondContact O-N 3.32Å
232I98.1Very high95.6Very high0 Ų047.7 Ų47.70%025%0.253CS..EExtended strand (participates in β ladder)trans-75.3125.1-178.7-65.9160.6000108.9P206 Y214 L227 F230 Y234 I235 F252 G287 L289P206-I232 HydrophobicContact CG-CD1 4.22Å; Y214-I232 HydrophobicContact CD2-CD1 4.04Å; Y214-I232 HydrophobicContact CD2-CG1 3.83Å; Y214-I232 HydrophobicContact CE2-CG1 4.08Å; Y214-I232 HydrophobicContact CG-CD1 4.28Å; L227-I232 HydrophobicContact CB-CB 4.42Å; L227-I232 HydrophobicContact CD2-CB 3.94Å; L227-I232 HydrophobicContact CD2-CD1 3.89Å; L227-I232 HydrophobicContact CD2-CG2 3.7Å; L227-I232 WeakPolarHBondContact O-CB 3.06Å; L227-I232 PolarHBondContact O-N 3.28Å; F230-I232 HydrophobicContact CB-CD1 3.79Å; F230-I232 HydrophobicContact CB-CG1 3.97Å; F230-I232 PolarHBondContact O-N 2.82Å; I232-Y234 WeakPolarHBondContact CG2-O 3.12Å; I232-I235 HydrophobicContact CG2-CG1 4.02Å; I232-F252 WeakPolarHBondContact O-CE1 3.02Å; I232-G287 WeakPolarHBondContact CA-O 3.44Å; I232-L289 HydrophobicContact CD1-CB 4.14Å; I232-L289 HydrophobicContact CG2-CB 3.92Å
233K98.2Very high95.4Very high75 Ų7548.8 Ų48.833%0.32626%0.261SS..EExtended strand (participates in β ladder)trans-125.3-9.5173.5-63.4-66.1175.8-169.80112.8G231 E251 F252 K253 C286 G287G231-K233 PolarHBondContact O-N 2.65Å; K233-E251 WeakPolarHBondContact CD-O 3.32Å; K233-F252 CarbonylContact O-C 3.45Å; K233-F252 WeakPolarHBondContact O-CA 3.46Å; K233-K253 PolarHBondContact O-N 3.44Å; K233-C286 HydrophobicContact CB-CB 4.13Å; K233-G287 PolarHBondContact N-O 2.96Å
234Y98.8Very high95.5Very high14 Ų1447.1 Ų47.16%0.05525%0.253CS..EExtended strand (participates in β ladder)trans-119.4130.6178.9-77.3-113.7000109.6I232 K253 F277 E280 A281 Q284 C286 G287 V288 L289I232-Y234 WeakPolarHBondContact CG2-O 3.12Å; Y234-K253 WeakPolarHBondContact CA-O 2.92Å; Y234-K253 HydrophobicContact CD1-CB 4.16Å; Y234-K253 HydrophobicContact CD1-CD 3.97Å; Y234-K253 HydrophobicContact CE1-CB 4.2Å; Y234-K253 HydrophobicContact CE1-CD 3.37Å; Y234-K253 HydrophobicContact CE1-CG 4.32Å; Y234-K253 HydrophobicContact CG-CB 4.37Å; Y234-F277 HydrophobicContact CD1-CD1 4.47Å; Y234-F277 HydrophobicContact CD1-CD2 4.25Å; Y234-F277 AromaticContact CD1-CE1 3.97Å; Y234-F277 HydrophobicContact CD1-CE1 3.97Å; Y234-F277 AromaticContact CD1-CE2 3.73Å; Y234-F277 HydrophobicContact CD1-CE2 3.73Å; Y234-F277 AromaticContact CD1-CZ 3.59Å; Y234-F277 HydrophobicContact CD1-CZ 3.59Å; Y234-F277 HydrophobicContact CE1-CE2 4.27Å; Y234-F277 HydrophobicContact CG-CE1 4.49Å; Y234-F277 HydrophobicContact CG-CZ 4.25Å; Y234-E280 HydrophobicContact CE1-CB 4.26Å; Y234-E280 HydrophobicContact CE1-CG 4.06Å; Y234-E280 WeakPolarHBondContact CE1-OE1 2.92Å; Y234-E280 PolarHBondContact OH-OE1 3.2Å; Y234-A281 HydrophobicContact CD1-CB 3.62Å; Y234-A281 HydrophobicContact CD2-CB 3.58Å; Y234-A281 HydrophobicContact CE1-CB 4.15Å; Y234-A281 HydrophobicContact CE2-CB 4.16Å; Y234-A281 HydrophobicContact CG-CB 3.32Å; Y234-Q284 PolarHBondContact OH-NE2 3.27Å; Y234-Q284 PolarHBondContact OH-OE1 2.68Å; Y234-C286 HydrophobicContact CD2-CB 4.09Å; Y234-C286 HydrophobicContact CE2-CB 4.26Å; Y234-G287 PolarHBondContact N-O 2.98Å; Y234-V288 CarbonylContact O-C 3.53Å; Y234-V288 VanDerWaalsContact O-CA 3.27Å; Y234-V288 WeakPolarHBondContact O-CA 3.46Å; Y234-L289 PolarHBondContact O-N 2.94Å
235I98.7Very high95.3Very high0 Ų049.3 Ų49.30%026%0.262CS..EExtended strand (participates in β ladder)trans-129.8117.4-179.7-58.3170.4000109.3L227 I232 F252 K253 Y254 K255 L289L227-I235 HydrophobicContact CD1-CD1 3.93Å; L227-I235 HydrophobicContact CD2-CD1 4.06Å; L227-I235 HydrophobicContact CD2-CG1 4.47Å; I232-I235 HydrophobicContact CG2-CG1 4.02Å; I235-F252 HydrophobicContact CD1-CB 4.26Å; I235-F252 HydrophobicContact CD1-CD1 3.77Å; I235-F252 HydrophobicContact CD1-CE1 4.38Å; I235-F252 HydrophobicContact CD1-CG 4.08Å; I235-F252 HydrophobicContact CG1-CD1 4.41Å; I235-K253 PolarHBondContact N-O 3.3Å; I235-Y254 HydrophobicContact CB-CD1 3.72Å; I235-Y254 HydrophobicContact CB-CE1 3.59Å; I235-Y254 HydrophobicContact CB-CG 4.46Å; I235-Y254 HydrophobicContact CD1-CE1 3.74Å; I235-Y254 HydrophobicContact CD1-CE2 4.26Å; I235-Y254 WeakPolarHBondContact CD1-OH 3.11Å; I235-Y254 HydrophobicContact CG1-CE1 4.24Å; I235-Y254 HydrophobicContact CG2-CD1 3.89Å; I235-Y254 HydrophobicContact CG2-CE1 3.57Å; I235-Y254 WeakPolarHBondContact O-CA 3.2Å; I235-K255 PolarHBondContact O-N 3.49Å; I235-L289 HydrophobicContact CG1-CB 4.47Å
236L98.9Very high95.3Very high0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-102.6103.8176.4-178.959000109.8V238 K255 I257 A274 F277 I278 L289 V290 H291 V302L236-V238 HydrophobicContact CG-CG2 4.21Å; L236-K255 WeakPolarHBondContact CA-O 3.4Å; L236-K255 HydrophobicContact CD1-CB 3.89Å; L236-K255 HydrophobicContact CD1-CD 4.03Å; L236-K255 HydrophobicContact CD1-CG 3.79Å; L236-I257 HydrophobicContact CD1-CD1 3.88Å; L236-I257 HydrophobicContact CD1-CG1 4.17Å; L236-A274 HydrophobicContact CD2-CB 3.88Å; L236-F277 HydrophobicContact CB-CD1 3.99Å; L236-F277 HydrophobicContact CB-CE1 3.94Å; L236-F277 HydrophobicContact CD1-CD1 4.37Å; L236-I278 HydrophobicContact CD2-CD1 4.36Å; L236-I278 HydrophobicContact CD2-CG1 4.41Å; L236-L289 PolarHBondContact N-O 2.92Å; L236-V290 HydrophobicContact CB-CG2 4.34Å; L236-V290 HydrophobicContact CD2-CG1 4.12Å; L236-V290 HydrophobicContact CD2-CG2 4.22Å; L236-V290 HydrophobicContact CG-CG1 4.43Å; L236-H291 PolarHBondContact O-CD2 2.91Å; L236-H291 PolarHBondContact O-N 2.66Å; L236-V302 HydrophobicContact CD2-CG1 3.89Å
237N98.7Very high95.1Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-91.5108.4179.6177-2.6000110.4T239 L242 N244 K255 Q256 I257 H291N237-T239 VanDerWaalsContact C-N 3.33Å; N237-T239 PolarHBondContact O-N 2.99Å; N237-T239 WeakPolarHBondContact OD1-CB 3.45Å; N237-T239 PolarHBondContact OD1-N 2.9Å; N237-T239 VanDerWaalsContact OD1-N 3.13Å; N237-T239 PolarHBondContact OD1-OG1 3.35Å; N237-L242 PolarHBondContact ND2-O 2.99Å; N237-N244 WeakPolarHBondContact CB-OD1 2.98Å; N237-N244 PolarHBondContact ND2-OD1 3.11Å; N237-K255 PolarHBondContact N-O 2.96Å; N237-Q256 HydrophobicContact CB-CG 4.29Å; N237-Q256 CarbonylContact O-C 3.35Å; N237-Q256 WeakPolarHBondContact O-CA 3.43Å; N237-I257 PolarHBondContact O-N 3.45Å; N237-H291 WeakPolarHBondContact CA-NE2 3.07Å; N237-H291 WeakPolarHBondContact CB-NE2 3.47Å
238V98.7Very high94.7Very high0 Ų057 Ų570%030%0.299CS..  trans-96.754.6-179.9-161.20000110.4L236 I257 L267 V290 H291 C292 R298 V302L236-V238 HydrophobicContact CG-CG2 4.21Å; V238-I257 CarbonylContact C-O 3.59Å; V238-I257 WeakPolarHBondContact CA-O 3.43Å; V238-I257 HydrophobicContact CG1-CB 4.28Å; V238-I257 HydrophobicContact CG1-CG2 4.26Å; V238-L267 HydrophobicContact CG1-CD1 3.91Å; V238-V290 HydrophobicContact CG2-CG1 4.24Å; V238-H291 PolarHBondContact N-O 3Å; V238-C292 HydrophobicContact CB-CB 4.49Å; V238-R298 HydrophobicContact CB-CB 4.16Å; V238-R298 HydrophobicContact CG1-CB 3.82Å; V238-R298 VanDerWaalsContact O-CD 3.29Å; V238-R298 WeakPolarHBondContact O-CD 3.4Å; V238-V302 HydrophobicContact CG1-CG2 4.24Å; V238-V302 HydrophobicContact CG2-CG2 4.06Å
239T96.1Very high94.3Very high2 Ų254.8 Ų54.81%0.01230%0.298CS..  trans-143.6151.8176.5780000112.1N237 L242 Q256 I257 C292N237-T239 VanDerWaalsContact C-N 3.33Å; N237-T239 PolarHBondContact O-N 2.99Å; N237-T239 WeakPolarHBondContact OD1-CB 3.45Å; N237-T239 PolarHBondContact OD1-N 2.9Å; N237-T239 VanDerWaalsContact OD1-N 3.13Å; N237-T239 PolarHBondContact OD1-OG1 3.35Å; T239-L242 HydrophobicContact CG2-CD1 3.7Å; T239-L242 HydrophobicContact CG2-CG 4.2Å; T239-L242 WeakPolarHBondContact OG1-CB 3.4Å; T239-L242 WeakPolarHBondContact OG1-CG 3.38Å; T239-L242 PolarHBondContact OG1-N 3.32Å; T239-Q256 WeakPolarHBondContact O-CG 3.47Å; T239-Q256 PolarHBondContact O-NE2 3.18Å; T239-I257 PolarHBondContact N-O 3.25Å; T239-C292 HydrophobicContact CG2-CB 3.98Å
240P91.8Very high93.9Very high46 Ų4651.1 Ų51.130%0.29930%0.301SS..SBendtrans-81.4-29.3178.331.3-33.4000113.1P258 I259P240-P258 HydrophobicContact CB-CB 4.13Å; P240-I259 WeakPolarHBondContact CD-O 3.43Å
241N88.1Confident93.6Very high147 Ų14754.1 Ų54.179%0.78632%0.315SS*.SBendtrans-120.6-3-163.2-58-25.8000114
242L89.3Confident93.6Very high45 Ų4553 Ų5324%0.23630%0.3CS..  trans-87.5128173.2-62.8175.8000109.7A218 N237 T239 Q256 L293A218-L242 HydrophobicContact CB-CD1 3.73Å; N237-L242 PolarHBondContact ND2-O 2.99Å; T239-L242 HydrophobicContact CG2-CD1 3.7Å; T239-L242 HydrophobicContact CG2-CG 4.2Å; T239-L242 WeakPolarHBondContact OG1-CB 3.4Å; T239-L242 WeakPolarHBondContact OG1-CG 3.38Å; T239-L242 PolarHBondContact OG1-N 3.32Å; L242-Q256 PolarHBondContact O-NE2 2.86Å; L242-L293 HydrophobicContact CD1-CB 4.36Å; L242-L293 HydrophobicContact CD1-CD1 4Å; L242-L293 HydrophobicContact CD2-CD1 4.15Å
243P91.9Very high93.6Very high91 Ų9157.4 Ų57.459%0.59132%0.319SS*.  trans-72.5152.7174.431.3-34.6000111.3
244N95.2Very high93.6Very high20 Ų2055.1 Ų55.111%0.10731%0.309CS..  trans-84.4109.6170.8-63.7-27.9000109N237 F246 E247 Y254N237-N244 WeakPolarHBondContact CB-OD1 2.98Å; N237-N244 PolarHBondContact ND2-OD1 3.11Å; N244-F246 PolarHBondContact O-N 3.38Å; N244-E247 HydrophobicContact CB-CB 3.83Å; N244-E247 HydrophobicContact CB-CG 4.49Å; N244-E247 WeakPolarHBondContact CB-OE2 2.98Å; N244-E247 PolarHBondContact ND2-OE1 2.86Å; N244-E247 PolarHBondContact ND2-OE2 3.04Å; N244-Y254 HydrophobicContact CB-CD1 3.46Å; N244-Y254 VanDerWaalsContact CB-CD1 3.46Å; N244-Y254 HydrophobicContact CB-CD2 4.38Å; N244-Y254 HydrophobicContact CB-CE1 3.5Å; N244-Y254 HydrophobicContact CB-CE2 4.42Å; N244-Y254 HydrophobicContact CB-CG 3.91Å; N244-Y254 WeakPolarHBondContact OD1-CD1 3.46Å
245M93.2Very high93.6Very high108 Ų10857.2 Ų57.253%0.53232%0.318SS..THydrogen-bonded Turntrans-63.6-38.2-168.9-70.9-56.3-60.700114.5T222T222-M245 HydrophobicContact CG2-CB 4.38Å; T222-M245 HydrophobicContact CG2-CG 3.26Å; T222-M245 HydrophobicContact CG2-SD 4.25Å
246F93.4Very high93.6Very high44 Ų4460.8 Ų60.819%0.19334%0.335CS..THydrogen-bonded Turntrans-11117.9-171.5-50.5-68.9000113.2L224 L227 N244 N248 A249 F252 Y254L224-F246 HydrophobicContact CB-CE1 4.43Å; L224-F246 HydrophobicContact CB-CZ 3.98Å; L224-F246 HydrophobicContact CD1-CZ 4.46Å; L227-F246 HydrophobicContact CD1-CD2 3.85Å; L227-F246 HydrophobicContact CD1-CE2 3.72Å; N244-F246 PolarHBondContact O-N 3.38Å; F246-N248 VanDerWaalsContact C-N 3.25Å; F246-N248 PolarHBondContact O-N 2.92Å; F246-A249 HydrophobicContact CB-CB 4.36Å; F246-A249 WeakPolarHBondContact O-CB 3.41Å; F246-A249 PolarHBondContact O-N 2.87Å; F246-A249 VanDerWaalsContact O-N 3.09Å; F246-F252 HydrophobicContact CB-CD2 3.5Å; F246-F252 HydrophobicContact CB-CE2 3.84Å; F246-F252 HydrophobicContact CB-CG 4.46Å; F246-F252 HydrophobicContact CD2-CD2 4.47Å; F246-F252 HydrophobicContact CD2-CE2 4.22Å; F246-F252 HydrophobicContact CG-CD2 4.23Å; F246-F252 HydrophobicContact CG-CE2 4.09Å; F246-Y254 HydrophobicContact CB-CE2 4.27Å; F246-Y254 WeakPolarHBondContact CB-OH 3.44Å; F246-Y254 PolarHBondContact N-OH 2.9Å
247E89.9Confident93.5Very high102 Ų10260.8 Ų60.848%0.47734%0.335SS..G310 helixtrans-61.2-34.5-174-171.8159.8-149.800112.8N244 Y254N244-E247 HydrophobicContact CB-CB 3.83Å; N244-E247 HydrophobicContact CB-CG 4.49Å; N244-E247 WeakPolarHBondContact CB-OE2 2.98Å; N244-E247 PolarHBondContact ND2-OE1 2.86Å; N244-E247 PolarHBondContact ND2-OE2 3.04Å; E247-Y254 HydrophobicContact CB-CD2 3.89Å; E247-Y254 HydrophobicContact CB-CE2 4.13Å; E247-Y254 HydrophobicContact CB-CG 4.42Å; E247-Y254 HydrophobicContact CG-CD2 4.15Å; E247-Y254 HydrophobicContact CG-CG 4.48Å
248N88.4Confident93.5Very high170 Ų17064.4 Ų64.491%0.90936%0.358SS*.G310 helixtrans-85.6-4.6179.4-61.1-42.1000114F246 G250F246-N248 VanDerWaalsContact C-N 3.25Å; F246-N248 PolarHBondContact O-N 2.92Å; N248-G250 VanDerWaalsContact C-N 3.3Å
249A86.4Confident93.3Very high59 Ų5964.7 Ų64.749%0.48836%0.36SS..G310 helixtrans-77.1-17.9-179.400000112.6F246 E251F246-A249 HydrophobicContact CB-CB 4.36Å; F246-A249 WeakPolarHBondContact O-CB 3.41Å; F246-A249 PolarHBondContact O-N 2.87Å; F246-A249 VanDerWaalsContact O-N 3.09Å; A249-E251 PolarHBondContact O-N 3Å
250G85.4Confident93Very high72 Ų7266.6 Ų66.674%0.74237%0.373SS*.SBendtrans76.7-5.3-179.600000115.1N248N248-G250 VanDerWaalsContact C-N 3.3Å
251E90.4Very high92.9Very high105 Ų10567.9 Ų67.949%0.49138%0.377SS..SBendtrans-89.1-19.4-177.7-63.8-176.3-159.700114.2K233 A249K233-E251 WeakPolarHBondContact CD-O 3.32Å; A249-E251 PolarHBondContact O-N 3Å
252F96.7Very high92.7Very high13 Ų1364.6 Ų64.66%0.05736%0.357CS..SBendtrans-122.3133.7-176.2-60.3-82.8000110.4L224 L227 I232 K233 I235 F246 Y254L224-F252 HydrophobicContact CD1-CE2 3.76Å; L224-F252 HydrophobicContact CD1-CZ 3.65Å; L227-F252 HydrophobicContact CB-CE1 3.88Å; L227-F252 HydrophobicContact CB-CZ 4.06Å; L227-F252 HydrophobicContact CD1-CE1 3.97Å; L227-F252 HydrophobicContact CD1-CZ 3.98Å; L227-F252 HydrophobicContact CG-CE1 4.43Å; I232-F252 WeakPolarHBondContact O-CE1 3.02Å; K233-F252 CarbonylContact O-C 3.45Å; K233-F252 WeakPolarHBondContact O-CA 3.46Å; I235-F252 HydrophobicContact CD1-CB 4.26Å; I235-F252 HydrophobicContact CD1-CD1 3.77Å; I235-F252 HydrophobicContact CD1-CE1 4.38Å; I235-F252 HydrophobicContact CD1-CG 4.08Å; I235-F252 HydrophobicContact CG1-CD1 4.41Å; F246-F252 HydrophobicContact CB-CD2 3.5Å; F246-F252 HydrophobicContact CB-CE2 3.84Å; F246-F252 HydrophobicContact CB-CG 4.46Å; F246-F252 HydrophobicContact CD2-CD2 4.47Å; F246-F252 HydrophobicContact CD2-CE2 4.22Å; F246-F252 HydrophobicContact CG-CD2 4.23Å; F246-F252 HydrophobicContact CG-CE2 4.09Å; F252-Y254 HydrophobicContact CB-CD2 3.98Å; F252-Y254 HydrophobicContact CB-CE2 3.5Å; F252-Y254 HydrophobicContact CG-CE2 4.34Å
253K97.8Very high91.9Very high93 Ų9370.5 Ų70.540%0.40438%0.376SS..EExtended strand (participates in β ladder)trans-86.3120.3167.1-162.9-175.7-169.9-179.30108.8K233 Y234 I235 F277 E280K233-K253 PolarHBondContact O-N 3.44Å; Y234-K253 WeakPolarHBondContact CA-O 2.92Å; Y234-K253 HydrophobicContact CD1-CB 4.16Å; Y234-K253 HydrophobicContact CD1-CD 3.97Å; Y234-K253 HydrophobicContact CE1-CB 4.2Å; Y234-K253 HydrophobicContact CE1-CD 3.37Å; Y234-K253 HydrophobicContact CE1-CG 4.32Å; Y234-K253 HydrophobicContact CG-CB 4.37Å; I235-K253 PolarHBondContact N-O 3.3Å; K253-F277 HydrophobicContact CD-CE2 4.06Å; K253-F277 HydrophobicContact CG-CE2 4.15Å; K253-F277 WeakPolarHBondContact O-CZ 3.32Å; K253-E280 IonicContact NZ-OE1 3.69Å; K253-E280 PolarHBondContact NZ-OE1 3.3Å; K253-E280 IonicContact NZ-OE2 3.92Å; K253-E280 PolarHBondContact NZ-OE2 3.27Å
254Y98.2Very high91.3Very high26 Ų2669.3 Ų69.310%0.10237%0.37CS..EExtended strand (participates in β ladder)trans-101150.5176.3-78.1-92.4000112.1I235 N244 F246 E247 F252I235-Y254 HydrophobicContact CB-CD1 3.72Å; I235-Y254 HydrophobicContact CB-CE1 3.59Å; I235-Y254 HydrophobicContact CB-CG 4.46Å; I235-Y254 HydrophobicContact CD1-CE1 3.74Å; I235-Y254 HydrophobicContact CD1-CE2 4.26Å; I235-Y254 WeakPolarHBondContact CD1-OH 3.11Å; I235-Y254 HydrophobicContact CG1-CE1 4.24Å; I235-Y254 HydrophobicContact CG2-CD1 3.89Å; I235-Y254 HydrophobicContact CG2-CE1 3.57Å; I235-Y254 WeakPolarHBondContact O-CA 3.2Å; N244-Y254 HydrophobicContact CB-CD1 3.46Å; N244-Y254 VanDerWaalsContact CB-CD1 3.46Å; N244-Y254 HydrophobicContact CB-CD2 4.38Å; N244-Y254 HydrophobicContact CB-CE1 3.5Å; N244-Y254 HydrophobicContact CB-CE2 4.42Å; N244-Y254 HydrophobicContact CB-CG 3.91Å; N244-Y254 WeakPolarHBondContact OD1-CD1 3.46Å; F246-Y254 HydrophobicContact CB-CE2 4.27Å; F246-Y254 WeakPolarHBondContact CB-OH 3.44Å; F246-Y254 PolarHBondContact N-OH 2.9Å; E247-Y254 HydrophobicContact CB-CD2 3.89Å; E247-Y254 HydrophobicContact CB-CE2 4.13Å; E247-Y254 HydrophobicContact CB-CG 4.42Å; E247-Y254 HydrophobicContact CG-CD2 4.15Å; E247-Y254 HydrophobicContact CG-CG 4.48Å; F252-Y254 HydrophobicContact CB-CD2 3.98Å; F252-Y254 HydrophobicContact CB-CE2 3.5Å; F252-Y254 HydrophobicContact CG-CE2 4.34Å
255K98.3Very high91Very high58 Ų5871.1 Ų71.125%0.25238%0.378SS..EExtended strand (participates in β ladder)trans-139.1134159.6176.5174.2-73.4-66.20108.4I235 L236 N237 E273 F277I235-K255 PolarHBondContact O-N 3.49Å; L236-K255 WeakPolarHBondContact CA-O 3.4Å; L236-K255 HydrophobicContact CD1-CB 3.89Å; L236-K255 HydrophobicContact CD1-CD 4.03Å; L236-K255 HydrophobicContact CD1-CG 3.79Å; N237-K255 PolarHBondContact N-O 2.96Å; K255-E273 HydrophobicContact CD-CG 3.97Å; K255-E273 WeakPolarHBondContact CD-OE1 3.35Å; K255-E273 WeakPolarHBondContact CE-OE1 3.49Å; K255-E273 IonicContact NZ-OE1 2.55Å; K255-E273 PolarHBondContact NZ-OE1 2.94Å; K255-F277 HydrophobicContact CB-CD1 4.29Å; K255-F277 HydrophobicContact CB-CD2 3.76Å; K255-F277 HydrophobicContact CB-CE1 4.17Å; K255-F277 HydrophobicContact CB-CE2 3.6Å; K255-F277 HydrophobicContact CB-CG 4.08Å; K255-F277 HydrophobicContact CB-CZ 3.81Å; K255-F277 HydrophobicContact CD-CB 3.92Å; K255-F277 HydrophobicContact CD-CD2 3.98Å; K255-F277 HydrophobicContact CD-CG 3.96Å
256Q98.3Very high91.1Very high75 Ų7569.4 Ų69.435%0.3537%0.371SS..EExtended strand (participates in β ladder)trans-113.6127.9177-170.4175.719.400110.6N237 T239 L242N237-Q256 HydrophobicContact CB-CG 4.29Å; N237-Q256 CarbonylContact O-C 3.35Å; N237-Q256 WeakPolarHBondContact O-CA 3.43Å; T239-Q256 WeakPolarHBondContact O-CG 3.47Å; T239-Q256 PolarHBondContact O-NE2 3.18Å; L242-Q256 PolarHBondContact O-NE2 2.86Å
257I98.4Very high91.3Very high1 Ų167.3 Ų67.31%0.00536%0.362CS..  trans-108.2102.4169.5-65.5169.9000107L236 N237 V238 T239 I259 L267 F270 A274L236-I257 HydrophobicContact CD1-CD1 3.88Å; L236-I257 HydrophobicContact CD1-CG1 4.17Å; N237-I257 PolarHBondContact O-N 3.45Å; V238-I257 CarbonylContact C-O 3.59Å; V238-I257 WeakPolarHBondContact CA-O 3.43Å; V238-I257 HydrophobicContact CG1-CB 4.28Å; V238-I257 HydrophobicContact CG1-CG2 4.26Å; T239-I257 PolarHBondContact N-O 3.25Å; I257-I259 VanDerWaalsContact C-N 3.26Å; I257-I259 HydrophobicContact CG2-CB 4.34Å; I257-I259 HydrophobicContact CG2-CG1 3.84Å; I257-I259 PolarHBondContact O-N 2.88Å; I257-L267 HydrophobicContact CG2-CD1 3.96Å; I257-F270 HydrophobicContact CD1-CB 3.91Å; I257-F270 HydrophobicContact CG1-CB 4.33Å; I257-F270 HydrophobicContact CG2-CB 3.91Å; I257-F270 HydrophobicContact CG2-CD1 4.06Å; I257-F270 HydrophobicContact CG2-CD2 3.76Å; I257-F270 HydrophobicContact CG2-CE2 4.29Å; I257-F270 HydrophobicContact CG2-CG 3.64Å; I257-A274 HydrophobicContact CD1-CB 3.78Å
258P96.9Very high91.6Very high75 Ų7564 Ų6449%0.48735%0.35SS..  trans-80.467.2-168.532.9-36.6000112.5P240P240-P258 HydrophobicContact CB-CB 4.13Å
259I94.4Very high92.1Very high7 Ų761.4 Ų61.44%0.03633%0.332CS..  trans-112.5126.6-177.3-72.5-72.6000112P240 I257 Q265 L267 F270 R298 F335P240-I259 WeakPolarHBondContact CD-O 3.43Å; I257-I259 VanDerWaalsContact C-N 3.26Å; I257-I259 HydrophobicContact CG2-CB 4.34Å; I257-I259 HydrophobicContact CG2-CG1 3.84Å; I257-I259 PolarHBondContact O-N 2.88Å; I259-Q265 HydrophobicContact CD1-CB 4.27Å; I259-Q265 HydrophobicContact CG2-CB 3.94Å; I259-Q265 HydrophobicContact CG2-CG 4.37Å; I259-L267 HydrophobicContact CB-CD1 4.2Å; I259-L267 HydrophobicContact CG1-CD1 4.13Å; I259-L267 HydrophobicContact CG2-CB 4.35Å; I259-L267 HydrophobicContact CG2-CD1 4.17Å; I259-F270 HydrophobicContact CD1-CD2 4.37Å; I259-F270 HydrophobicContact CD1-CE2 3.68Å; I259-F270 HydrophobicContact CG1-CD2 4.01Å; I259-F270 HydrophobicContact CG1-CE2 3.68Å; I259-R298 WeakPolarHBondContact O-CD 3.45Å; I259-R298 PolarHBondContact O-NH1 2.97Å; I259-R298 VanDerWaalsContact O-NH1 3.11Å; I259-F335 HydrophobicContact CG2-CE1 4.36Å; I259-F335 HydrophobicContact CG2-CZ 3.77Å
260S89.8Confident92.7Very high41 Ų4160.8 Ų60.829%0.28732%0.319SS..  trans-74.8153.4171.461.90000111.3H262 Q265S260-H262 PolarHBondContact O-N 3.46Å; S260-Q265 WeakPolarHBondContact O-CG 3.45Å; S260-Q265 WeakPolarHBondContact OG-CG 3.42Å; S260-Q265 PolarHBondContact OG-NE2 2.86Å
261D90.6Very high93.3Very high73 Ų7357.4 Ų57.439%0.3928%0.284SS..SBendtrans-83.772.3179.1-160.63.1000110.1S297 R298 N332D261-S297 WeakPolarHBondContact OD1-CB 3.34Å; D261-S297 PolarHBondContact OD1-OG 3.1Å; D261-S297 WeakPolarHBondContact OD2-CB 3.47Å; D261-S297 PolarHBondContact OD2-OG 3.25Å; D261-R298 HydrophobicContact CB-CG 4.14Å; D261-N332 PolarHBondContact OD1-ND2 2.87Å
262H84.6Confident93.6Very high78 Ų7856.7 Ų56.736%0.36129%0.288SS..SBendtrans-141.7150.8-168.2-168.9-101.9000112.2S260 S264 Q265S260-H262 PolarHBondContact O-N 3.46Å; H262-S264 PolarHBondContact ND1-N 3.18Å; H262-S264 PolarHBondContact ND1-OG 2.92Å; H262-S264 PolarHBondContact O-N 3.41Å; H262-S264 VanDerWaalsContact O-N 3.1Å; H262-Q265 HydrophobicContact CB-CG 4.09Å; H262-Q265 PolarHBondContact O-N 2.85Å
263W72Confident93.7Very high170 Ų17060 Ų6064%0.64430%0.303SS*.THydrogen-bonded Turntrans-63.1-19.8-174.763.5-98.1000114.3N334W263-N334 HydrophobicContact CB-CB 4.36Å; W263-N334 WeakPolarHBondContact O-CB 3.34Å; W263-N334 PolarHBondContact O-ND2 3.41Å; W263-N334 PolarHBondContact O-OD1 3.48Å
264S79.2Confident93.8Very high66 Ų6655.5 Ų55.546%0.46228%0.284SS..THydrogen-bonded Turntrans-92.9-3.2-177.570.50000113.6H262H262-S264 PolarHBondContact ND1-N 3.18Å; H262-S264 PolarHBondContact ND1-OG 2.92Å; H262-S264 PolarHBondContact O-N 3.41Å; H262-S264 VanDerWaalsContact O-N 3.1Å
265Q89.7Confident93.8Very high58 Ų5854.6 Ų54.627%0.27128%0.281SS..  trans-89.8141.5-173.1-64.4-62.3-39.300111.3I259 S260 H262 N334 F335 Q338I259-Q265 HydrophobicContact CD1-CB 4.27Å; I259-Q265 HydrophobicContact CG2-CB 3.94Å; I259-Q265 HydrophobicContact CG2-CG 4.37Å; S260-Q265 WeakPolarHBondContact O-CG 3.45Å; S260-Q265 WeakPolarHBondContact OG-CG 3.42Å; S260-Q265 PolarHBondContact OG-NE2 2.86Å; H262-Q265 HydrophobicContact CB-CG 4.09Å; H262-Q265 PolarHBondContact O-N 2.85Å; Q265-N334 PolarHBondContact O-ND2 2.91Å; Q265-F335 HydrophobicContact CB-CE1 4.13Å; Q265-F335 HydrophobicContact CB-CZ 4.3Å; Q265-Q338 PolarHBondContact O-NE2 2.79Å
266N93.3Very high93.8Very high71 Ų7153.7 Ų53.738%0.3829%0.288SS..  trans-102.399.7173.6-175.9-0.8000109.2S268 Q269 F270N266-S268 PolarHBondContact OD1-N 3.2Å; N266-S268 PolarHBondContact OD1-OG 2.87Å; N266-Q269 WeakPolarHBondContact O-CG 3.35Å; N266-Q269 PolarHBondContact O-NE2 2.95Å; N266-Q269 PolarHBondContact OD1-N 3.06Å; N266-F270 WeakPolarHBondContact O-CE2 3.45Å
267L97.8Very high93.8Very high0 Ų050.4 Ų50.40%027%0.273CS..  trans-88.2-29.2177.2-176.154.7000111.6V238 I257 I259 Q269 F270 F271 T301 V302 F335V238-L267 HydrophobicContact CG1-CD1 3.91Å; I257-L267 HydrophobicContact CG2-CD1 3.96Å; I259-L267 HydrophobicContact CB-CD1 4.2Å; I259-L267 HydrophobicContact CG1-CD1 4.13Å; I259-L267 HydrophobicContact CG2-CB 4.35Å; I259-L267 HydrophobicContact CG2-CD1 4.17Å; L267-Q269 VanDerWaalsContact C-N 3.25Å; L267-Q269 PolarHBondContact O-N 2.84Å; L267-F270 HydrophobicContact CD1-CD2 4.43Å; L267-F270 PolarHBondContact O-N 2.83Å; L267-F271 HydrophobicContact CG-CE1 4.04Å; L267-T301 HydrophobicContact CD2-CG2 3.86Å; L267-V302 HydrophobicContact CD1-CG2 4.23Å; L267-V302 HydrophobicContact CD2-CG2 4.23Å; L267-V302 HydrophobicContact CG-CG2 4.41Å; L267-F335 HydrophobicContact CB-CD1 3.84Å; L267-F335 HydrophobicContact CB-CE1 3.58Å; L267-F335 HydrophobicContact CB-CZ 4.11Å; L267-F335 HydrophobicContact CD2-CD1 4.3Å; L267-F335 HydrophobicContact CD2-CD2 4.05Å; L267-F335 HydrophobicContact CD2-CE1 4.21Å; L267-F335 HydrophobicContact CD2-CE2 3.99Å; L267-F335 HydrophobicContact CD2-CG 4.25Å; L267-F335 HydrophobicContact CD2-CZ 4.07Å
268S97.6Very high93.8Very high33 Ų3350.3 Ų50.323%0.23127%0.272CS..G310 helixtrans-63.3-28.3-177.157.70000114.1N266 F270 F271N266-S268 PolarHBondContact OD1-N 3.2Å; N266-S268 PolarHBondContact OD1-OG 2.87Å; S268-F270 PolarHBondContact O-N 3.24Å; S268-F270 VanDerWaalsContact O-N 3.11Å; S268-F271 VanDerWaalsContact CB-CE2 3.49Å; S268-F271 WeakPolarHBondContact O-CB 3.43Å; S268-F271 WeakPolarHBondContact O-CG 3.36Å; S268-F271 PolarHBondContact O-N 3.25Å
269Q97.8Very high93.9Very high115 Ų11549.2 Ų49.254%0.53726%0.263SS..G310 helixtrans-58.6-23.3173.271.3-175-32.500113.2N266 L267N266-Q269 WeakPolarHBondContact O-CG 3.35Å; N266-Q269 PolarHBondContact O-NE2 2.95Å; N266-Q269 PolarHBondContact OD1-N 3.06Å; L267-Q269 VanDerWaalsContact C-N 3.25Å; L267-Q269 PolarHBondContact O-N 2.84Å
270F98.6Very high94.1Very high47 Ų4752.1 Ų52.121%0.20628%0.276CS..G310 helixtrans-95.7-3179-57.4-80.7000113.4I257 I259 N266 L267 S268 E273 A274I257-F270 HydrophobicContact CD1-CB 3.91Å; I257-F270 HydrophobicContact CG1-CB 4.33Å; I257-F270 HydrophobicContact CG2-CB 3.91Å; I257-F270 HydrophobicContact CG2-CD1 4.06Å; I257-F270 HydrophobicContact CG2-CD2 3.76Å; I257-F270 HydrophobicContact CG2-CE2 4.29Å; I257-F270 HydrophobicContact CG2-CG 3.64Å; I259-F270 HydrophobicContact CD1-CD2 4.37Å; I259-F270 HydrophobicContact CD1-CE2 3.68Å; I259-F270 HydrophobicContact CG1-CD2 4.01Å; I259-F270 HydrophobicContact CG1-CE2 3.68Å; N266-F270 WeakPolarHBondContact O-CE2 3.45Å; L267-F270 HydrophobicContact CD1-CD2 4.43Å; L267-F270 PolarHBondContact O-N 2.83Å; S268-F270 PolarHBondContact O-N 3.24Å; S268-F270 VanDerWaalsContact O-N 3.11Å; F270-E273 PolarHBondContact O-N 2.98Å; F270-A274 WeakPolarHBondContact O-CB 3.34Å; F270-A274 PolarHBondContact O-N 3.49Å
271F98.6Very high94.5Very high1 Ų150.2 Ų50.20%0.00426%0.262CS..Hα-helixtrans-57-46.9-179.3-67.4-16.1000113L267 S268 E273 A274 I275 T301 A305 L339 F342L267-F271 HydrophobicContact CG-CE1 4.04Å; S268-F271 VanDerWaalsContact CB-CE2 3.49Å; S268-F271 WeakPolarHBondContact O-CB 3.43Å; S268-F271 WeakPolarHBondContact O-CG 3.36Å; S268-F271 PolarHBondContact O-N 3.25Å; F271-E273 VanDerWaalsContact C-N 3.27Å; F271-E273 PolarHBondContact O-N 3.42Å; F271-A274 PolarHBondContact O-N 3.04Å; F271-I275 HydrophobicContact CB-CD1 4.17Å; F271-I275 VanDerWaalsContact O-CB 3.25Å; F271-I275 WeakPolarHBondContact O-CB 3.34Å; F271-I275 WeakPolarHBondContact O-CD1 3.29Å; F271-I275 WeakPolarHBondContact O-CG1 3.13Å; F271-I275 PolarHBondContact O-N 3.16Å; F271-T301 HydrophobicContact CE1-CG2 4.02Å; F271-T301 HydrophobicContact CZ-CG2 3.84Å; F271-A305 HydrophobicContact CD1-CB 3.84Å; F271-A305 HydrophobicContact CD2-CB 3.77Å; F271-A305 HydrophobicContact CE1-CB 3.84Å; F271-A305 HydrophobicContact CE2-CB 3.78Å; F271-A305 HydrophobicContact CG-CB 3.8Å; F271-A305 HydrophobicContact CZ-CB 3.82Å; F271-L339 HydrophobicContact CE2-CD2 4.06Å; F271-L339 HydrophobicContact CZ-CD2 3.85Å; F271-F342 HydrophobicContact CB-CE2 4.36Å; F271-F342 HydrophobicContact CB-CZ 4.37Å; F271-F342 HydrophobicContact CD2-CB 4.05Å; F271-F342 AromaticContact CD2-CD1 3.81Å; F271-F342 HydrophobicContact CD2-CD1 3.81Å; F271-F342 AromaticContact CD2-CD2 3.78Å; F271-F342 HydrophobicContact CD2-CD2 3.78Å; F271-F342 HydrophobicContact CD2-CE1 4.15Å; F271-F342 HydrophobicContact CD2-CE2 4.13Å; F271-F342 AromaticContact CD2-CG 3.61Å; F271-F342 HydrophobicContact CD2-CG 3.61Å; F271-F342 HydrophobicContact CD2-CZ 4.29Å; F271-F342 HydrophobicContact CE2-CB 3.88Å; F271-F342 HydrophobicContact CE2-CD1 4.1Å; F271-F342 HydrophobicContact CE2-CD2 4.47Å; F271-F342 AromaticContact CE2-CG 3.91Å; F271-F342 HydrophobicContact CE2-CG 3.91Å
272P97.9Very high94.9Very high89 Ų8949.5 Ų49.558%0.57825%0.254SS*.Hα-helixtrans-58.3-40.6178.8-2535.7000112.8G276P272-G276 PolarHBondContact O-N 3.24Å
273E98.4Very high95.5Very high82 Ų8249 Ų4938%0.38327%0.27SS..Hα-helixtrans-68.5-46.2179.2-172.2-170.7168.500112K255 F270 F271 G276 F277K255-E273 HydrophobicContact CD-CG 3.97Å; K255-E273 WeakPolarHBondContact CD-OE1 3.35Å; K255-E273 WeakPolarHBondContact CE-OE1 3.49Å; K255-E273 IonicContact NZ-OE1 2.55Å; K255-E273 PolarHBondContact NZ-OE1 2.94Å; F270-E273 PolarHBondContact O-N 2.98Å; F271-E273 VanDerWaalsContact C-N 3.27Å; F271-E273 PolarHBondContact O-N 3.42Å; E273-G276 PolarHBondContact O-N 3.08Å; E273-F277 PolarHBondContact O-N 3.44Å
274A98.8Very high96.7Very high0 Ų046.1 Ų46.10%026%0.264CS..Hα-helixtrans-62.4-44.9177.800000111.7L236 I257 F270 F271 F277 I278 V302L236-A274 HydrophobicContact CD2-CB 3.88Å; I257-A274 HydrophobicContact CD1-CB 3.78Å; F270-A274 WeakPolarHBondContact O-CB 3.34Å; F270-A274 PolarHBondContact O-N 3.49Å; F271-A274 PolarHBondContact O-N 3.04Å; A274-F277 PolarHBondContact O-N 2.9Å; A274-I278 VanDerWaalsContact O-CG1 3.3Å; A274-I278 WeakPolarHBondContact O-CG1 3.26Å; A274-I278 PolarHBondContact O-N 3.41Å; A274-V302 HydrophobicContact CB-CG1 3.65Å
275I98.7Very high97.5Very high6 Ų651 Ų513%0.03128%0.276CS..Hα-helixtrans-65.6-43.1-179.2-68.3170.3000110.3F271 F277 I278 D279 Y306 Q309 F342F271-I275 HydrophobicContact CB-CD1 4.17Å; F271-I275 VanDerWaalsContact O-CB 3.25Å; F271-I275 WeakPolarHBondContact O-CB 3.34Å; F271-I275 WeakPolarHBondContact O-CD1 3.29Å; F271-I275 WeakPolarHBondContact O-CG1 3.13Å; F271-I275 PolarHBondContact O-N 3.16Å; I275-F277 VanDerWaalsContact C-N 3.32Å; I275-F277 PolarHBondContact O-N 3.24Å; I275-I278 PolarHBondContact O-N 2.85Å; I275-D279 WeakPolarHBondContact O-CB 3.4Å; I275-D279 PolarHBondContact O-N 3.5Å; I275-Y306 HydrophobicContact CB-CD2 4.18Å; I275-Y306 HydrophobicContact CG1-CD2 4.04Å; I275-Y306 HydrophobicContact CG2-CD2 3.87Å; I275-Y306 HydrophobicContact CG2-CE2 4.14Å; I275-Q309 HydrophobicContact CD1-CB 4.07Å; I275-F342 HydrophobicContact CD1-CE1 4.31Å; I275-F342 HydrophobicContact CD1-CZ 3.99Å
276G98.7Very high97.9Very high40 Ų4049.6 Ų49.641%0.41227%0.273SS..Hα-helixtrans-59.7-41174.100000112.8P272 E273 D279 E280P272-G276 PolarHBondContact O-N 3.24Å; E273-G276 PolarHBondContact O-N 3.08Å; G276-D279 PolarHBondContact O-N 3.28Å; G276-E280 WeakPolarHBondContact O-CB 3.34Å; G276-E280 PolarHBondContact O-N 3.44Å
277F98.8Very high98.1Very high5 Ų546.3 Ų46.32%0.02226%0.256CS..Hα-helixtrans-66-41.3176.9-174.6-98.6000112.9Y234 L236 K253 K255 E273 A274 I275 E280 A281 V288Y234-F277 HydrophobicContact CD1-CD1 4.47Å; Y234-F277 HydrophobicContact CD1-CD2 4.25Å; Y234-F277 AromaticContact CD1-CE1 3.97Å; Y234-F277 HydrophobicContact CD1-CE1 3.97Å; Y234-F277 AromaticContact CD1-CE2 3.73Å; Y234-F277 HydrophobicContact CD1-CE2 3.73Å; Y234-F277 AromaticContact CD1-CZ 3.59Å; Y234-F277 HydrophobicContact CD1-CZ 3.59Å; Y234-F277 HydrophobicContact CE1-CE2 4.27Å; Y234-F277 HydrophobicContact CG-CE1 4.49Å; Y234-F277 HydrophobicContact CG-CZ 4.25Å; L236-F277 HydrophobicContact CB-CD1 3.99Å; L236-F277 HydrophobicContact CB-CE1 3.94Å; L236-F277 HydrophobicContact CD1-CD1 4.37Å; K253-F277 HydrophobicContact CD-CE2 4.06Å; K253-F277 HydrophobicContact CG-CE2 4.15Å; K253-F277 WeakPolarHBondContact O-CZ 3.32Å; K255-F277 HydrophobicContact CB-CD1 4.29Å; K255-F277 HydrophobicContact CB-CD2 3.76Å; K255-F277 HydrophobicContact CB-CE1 4.17Å; K255-F277 HydrophobicContact CB-CE2 3.6Å; K255-F277 HydrophobicContact CB-CG 4.08Å; K255-F277 HydrophobicContact CB-CZ 3.81Å; K255-F277 HydrophobicContact CD-CB 3.92Å; K255-F277 HydrophobicContact CD-CD2 3.98Å; K255-F277 HydrophobicContact CD-CG 3.96Å; E273-F277 PolarHBondContact O-N 3.44Å; A274-F277 PolarHBondContact O-N 2.9Å; I275-F277 VanDerWaalsContact C-N 3.32Å; I275-F277 PolarHBondContact O-N 3.24Å; F277-E280 PolarHBondContact O-N 3.45Å; F277-A281 PolarHBondContact O-N 3.15Å; F277-V288 HydrophobicContact CD1-CG2 4.36Å; F277-V288 HydrophobicContact CE1-CG2 4.19Å
278I98.8Very high98.2Very high0 Ų046.3 Ų46.30%026%0.256CS..Hα-helixtrans-65.6-43.7175.8-66.4163.6000110.6L213 L236 A274 I275 E280 A281 R282 V288 V290 V302 Y306L213-I278 HydrophobicContact CD1-CG2 3.96Å; L236-I278 HydrophobicContact CD2-CD1 4.36Å; L236-I278 HydrophobicContact CD2-CG1 4.41Å; A274-I278 VanDerWaalsContact O-CG1 3.3Å; A274-I278 WeakPolarHBondContact O-CG1 3.26Å; A274-I278 PolarHBondContact O-N 3.41Å; I275-I278 PolarHBondContact O-N 2.85Å; I278-E280 VanDerWaalsContact C-N 3.34Å; I278-E280 PolarHBondContact O-N 3.45Å; I278-A281 PolarHBondContact O-N 3.42Å; I278-R282 HydrophobicContact CG2-CG 4.42Å; I278-R282 WeakPolarHBondContact O-CG 3.22Å; I278-R282 PolarHBondContact O-N 3.17Å; I278-V288 HydrophobicContact CB-CG1 4.48Å; I278-V288 HydrophobicContact CG1-CG2 4.39Å; I278-V288 HydrophobicContact CG2-CG1 3.99Å; I278-V290 HydrophobicContact CD1-CG2 3.82Å; I278-V290 HydrophobicContact CG1-CG2 4.02Å; I278-V302 HydrophobicContact CD1-CG1 4.19Å; I278-Y306 HydrophobicContact CB-CD2 3.85Å; I278-Y306 HydrophobicContact CB-CE2 3.77Å; I278-Y306 HydrophobicContact CD1-CD2 3.94Å; I278-Y306 HydrophobicContact CD1-CG 4.01Å; I278-Y306 HydrophobicContact CG2-CD1 4.07Å; I278-Y306 HydrophobicContact CG2-CD2 3.63Å; I278-Y306 HydrophobicContact CG2-CE1 3.79Å; I278-Y306 HydrophobicContact CG2-CE2 3.34Å; I278-Y306 HydrophobicContact CG2-CG 3.99Å; I278-Y306 VanDerWaalsContact CG2-CZ 3.42Å
279D98.4Very high98.2Very high52 Ų5244.7 Ų44.728%0.27825%0.245SC..Hα-helixtrans-64.4-37.8178.4-93.4-7000112.5I275 G276 G283 Y306 K310I275-D279 WeakPolarHBondContact O-CB 3.4Å; I275-D279 PolarHBondContact O-N 3.5Å; G276-D279 PolarHBondContact O-N 3.28Å; D279-G283 PolarHBondContact O-N 2.57Å; D279-Y306 VanDerWaalsContact OD1-CE2 3.3Å; D279-Y306 WeakPolarHBondContact OD1-CE2 3.5Å; D279-Y306 PolarHBondContact OD1-OH 2.84Å; D279-K310 WeakPolarHBondContact OD1-CE 3.34Å; D279-K310 IonicContact OD1-NZ 2.83Å; D279-K310 PolarHBondContact OD1-NZ 3.17Å; D279-K310 IonicContact OD2-NZ 2.63Å; D279-K310 PolarHBondContact OD2-NZ 3.04Å
280E98.5Very high98.3Very high68 Ų6839.2 Ų39.232%0.31822%0.219SC..Hα-helixtrans-58.5-50.5175-168.8-163.7146.600111.2Y234 K253 G276 F277 I278 G283 Q284Y234-E280 HydrophobicContact CE1-CB 4.26Å; Y234-E280 HydrophobicContact CE1-CG 4.06Å; Y234-E280 WeakPolarHBondContact CE1-OE1 2.92Å; Y234-E280 PolarHBondContact OH-OE1 3.2Å; K253-E280 IonicContact NZ-OE1 3.69Å; K253-E280 PolarHBondContact NZ-OE1 3.3Å; K253-E280 IonicContact NZ-OE2 3.92Å; K253-E280 PolarHBondContact NZ-OE2 3.27Å; G276-E280 WeakPolarHBondContact O-CB 3.34Å; G276-E280 PolarHBondContact O-N 3.44Å; F277-E280 PolarHBondContact O-N 3.45Å; I278-E280 VanDerWaalsContact C-N 3.34Å; I278-E280 PolarHBondContact O-N 3.45Å; E280-G283 PolarHBondContact O-N 3.2Å; E280-Q284 WeakPolarHBondContact O-CG 3.46Å; E280-Q284 PolarHBondContact O-N 2.77Å
281A98.4Very high98.3Very high0 Ų037.1 Ų37.10%021%0.21CC..Hα-helixtrans-60-50.818000000111.9Y234 F277 I278 G283 Q284 K285 C286 V288Y234-A281 HydrophobicContact CD1-CB 3.62Å; Y234-A281 HydrophobicContact CD2-CB 3.58Å; Y234-A281 HydrophobicContact CE1-CB 4.15Å; Y234-A281 HydrophobicContact CE2-CB 4.16Å; Y234-A281 HydrophobicContact CG-CB 3.32Å; F277-A281 PolarHBondContact O-N 3.15Å; I278-A281 PolarHBondContact O-N 3.42Å; A281-G283 VanDerWaalsContact C-N 3.31Å; A281-G283 PolarHBondContact O-N 3.47Å; A281-Q284 PolarHBondContact O-N 3.34Å; A281-Q284 VanDerWaalsContact O-N 3.11Å; A281-K285 PolarHBondContact O-N 2.94Å; A281-C286 CarbonylContact C-O 3.57Å; A281-C286 PolarHBondContact O-N 3.01Å; A281-V288 HydrophobicContact CB-CB 3.61Å; A281-V288 HydrophobicContact CB-CG1 3.95Å; A281-V288 HydrophobicContact CB-CG2 4.39Å
282R97.6Very high98.3Very high59 Ų5937.1 Ų37.122%0.22321%0.21CC..Hα-helixtrans-66-34.5-178.6-66.6-178.174.5-139.5-4111.9P211 H212 I278 Q284 K285 V288 Y306P211-R282 PolarHBondContact O-NE 2.96Å; P211-R282 VanDerWaalsContact O-NE 3.13Å; P211-R282 PolarHBondContact O-NH2 3.33Å; H212-R282 HydrophobicContact CB-CG 4.34Å; I278-R282 HydrophobicContact CG2-CG 4.42Å; I278-R282 WeakPolarHBondContact O-CG 3.22Å; I278-R282 PolarHBondContact O-N 3.17Å; R282-Q284 PolarHBondContact O-N 3.33Å; R282-K285 PolarHBondContact O-N 3.24Å; R282-V288 HydrophobicContact CG-CG1 4.27Å; R282-Y306 WeakPolarHBondContact CD-OH 3.49Å; R282-Y306 PolarHBondContact NH1-OH 2.88Å
283G97.5Very high98.1Very high67 Ų6737.8 Ų37.869%0.69121%0.208SC*.Hα-helixtrans-62.9-30.5174.300000113.2D279 E280 A281 K285D279-G283 PolarHBondContact O-N 2.57Å; E280-G283 PolarHBondContact O-N 3.2Å; A281-G283 VanDerWaalsContact C-N 3.31Å; A281-G283 PolarHBondContact O-N 3.47Å; G283-K285 VanDerWaalsContact C-N 3.31Å
284Q97.5Very high97.8Very high109 Ų10936.5 Ų36.551%0.50921%0.211SC..THydrogen-bonded Turntrans-86.61.6174-64.6-18029.800113.6Y234 E280 A281 R282 C286Y234-Q284 PolarHBondContact OH-NE2 3.27Å; Y234-Q284 PolarHBondContact OH-OE1 2.68Å; E280-Q284 WeakPolarHBondContact O-CG 3.46Å; E280-Q284 PolarHBondContact O-N 2.77Å; A281-Q284 PolarHBondContact O-N 3.34Å; A281-Q284 VanDerWaalsContact O-N 3.11Å; R282-Q284 PolarHBondContact O-N 3.33Å; Q284-C286 PolarHBondContact O-N 3.24Å
285K96.9Very high97.7Very high168 Ų16836.5 Ų36.573%0.7321%0.211SC*.THydrogen-bonded Turntrans58.527.1-172.7-52.6179.3178.9-179.80113.2A281 R282 G283A281-K285 PolarHBondContact O-N 2.94Å; R282-K285 PolarHBondContact O-N 3.24Å; G283-K285 VanDerWaalsContact C-N 3.31Å
286C97.4Very high97.5Very high30 Ų3038.9 Ų38.920%0.20322%0.223CC..  trans-95.4143.6172.7-68.60000109.6K233 Y234 A281 Q284K233-C286 HydrophobicContact CB-CB 4.13Å; Y234-C286 HydrophobicContact CD2-CB 4.09Å; Y234-C286 HydrophobicContact CE2-CB 4.26Å; A281-C286 CarbonylContact C-O 3.57Å; A281-C286 PolarHBondContact O-N 3.01Å; Q284-C286 PolarHBondContact O-N 3.24Å
287G98.3Very high97.5Very high1 Ų137.1 Ų37.11%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-64.7138.3170.800000111.5G231 I232 K233 Y234G231-G287 WeakPolarHBondContact O-CA 3.45Å; G231-G287 PolarHBondContact O-N 3.32Å; I232-G287 WeakPolarHBondContact CA-O 3.44Å; K233-G287 PolarHBondContact N-O 2.96Å; Y234-G287 PolarHBondContact N-O 2.98Å
288V98.8Very high97.5Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-116.4128.9167.154.40000111.2H212 L213 Y214 Y234 F277 I278 A281 R282 V290H212-V288 WeakPolarHBondContact O-CG1 3.39Å; H212-V288 PolarHBondContact O-N 2.8Å; L213-V288 HydrophobicContact CD1-CG1 3.92Å; Y214-V288 PolarHBondContact N-O 3.17Å; Y234-V288 CarbonylContact O-C 3.53Å; Y234-V288 VanDerWaalsContact O-CA 3.27Å; Y234-V288 WeakPolarHBondContact O-CA 3.46Å; F277-V288 HydrophobicContact CD1-CG2 4.36Å; F277-V288 HydrophobicContact CE1-CG2 4.19Å; I278-V288 HydrophobicContact CB-CG1 4.48Å; I278-V288 HydrophobicContact CG1-CG2 4.39Å; I278-V288 HydrophobicContact CG2-CG1 3.99Å; A281-V288 HydrophobicContact CB-CB 3.61Å; A281-V288 HydrophobicContact CB-CG1 3.95Å; A281-V288 HydrophobicContact CB-CG2 4.39Å; R282-V288 HydrophobicContact CG-CG1 4.27Å; V288-V290 HydrophobicContact CG2-CG2 4.45Å
289L98.8Very high97.5Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-98.4116.1171.7177.962.6000110.1P206 Y214 D220 L227 I232 Y234 I235 L236 H291P206-L289 HydrophobicContact CB-CD1 3.71Å; P206-L289 HydrophobicContact CG-CD1 4.24Å; Y214-L289 WeakPolarHBondContact O-CA 3.49Å; D220-L289 HydrophobicContact CB-CD2 4.33Å; L227-L289 HydrophobicContact CD2-CD2 3.88Å; I232-L289 HydrophobicContact CD1-CB 4.14Å; I232-L289 HydrophobicContact CG2-CB 3.92Å; Y234-L289 PolarHBondContact O-N 2.94Å; I235-L289 HydrophobicContact CG1-CB 4.47Å; L236-L289 PolarHBondContact N-O 2.92Å; L289-H291 HydrophobicContact CD2-CB 4.49Å; L289-H291 HydrophobicContact CG-CB 4.22Å
290V98.9Very high97.5Very high0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-96.6113.6168.2-173.10000108.1L213 Y214 G216 L236 V238 I278 V288 V302L213-V290 HydrophobicContact CD1-CG2 3.86Å; Y214-V290 PolarHBondContact O-N 3.17Å; G216-V290 PolarHBondContact N-O 3.04Å; L236-V290 HydrophobicContact CB-CG2 4.34Å; L236-V290 HydrophobicContact CD2-CG1 4.12Å; L236-V290 HydrophobicContact CD2-CG2 4.22Å; L236-V290 HydrophobicContact CG-CG1 4.43Å; V238-V290 HydrophobicContact CG2-CG1 4.24Å; I278-V290 HydrophobicContact CD1-CG2 3.82Å; I278-V290 HydrophobicContact CG1-CG2 4.02Å; V288-V290 HydrophobicContact CG2-CG2 4.45Å; V290-V302 HydrophobicContact CG1-CB 4.17Å; V290-V302 HydrophobicContact CG1-CG1 4Å
291H98.6Very high97.5Very high2 Ų232.2 Ų32.21%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-131.7157.2-176.982.399.3000113.2G216 S221 L236 N237 V238 L289 S299G216-H291 WeakPolarHBondContact O-CA 3.39Å; S221-H291 VanDerWaalsContact CB-CE1 3.49Å; S221-H291 WeakPolarHBondContact CB-CE1 3.4Å; S221-H291 PolarHBondContact OG-CE1 3.47Å; S221-H291 VanDerWaalsContact OG-CE1 3.29Å; L236-H291 PolarHBondContact O-CD2 2.91Å; L236-H291 PolarHBondContact O-N 2.66Å; N237-H291 WeakPolarHBondContact CA-NE2 3.07Å; N237-H291 WeakPolarHBondContact CB-NE2 3.47Å; V238-H291 PolarHBondContact N-O 3Å; L289-H291 HydrophobicContact CD2-CB 4.49Å; L289-H291 HydrophobicContact CG-CB 4.22Å; H291-S299 VanDerWaalsContact C-CB 3.48Å
292C98Very high97.5Very high2 Ų232.2 Ų32.21%0.01418%0.18CC..  trans-132.4-153.6163.967.70000108.2C217 A218 V238 T239 G295 R298 S299C217-C292 CarbonylContact C-O 3.29Å; A218-C292 PolarHBondContact N-O 3Å; V238-C292 HydrophobicContact CB-CB 4.49Å; T239-C292 HydrophobicContact CG2-CB 3.98Å; C292-G295 PolarHBondContact SG-N 3.39Å; C292-G295 VanDerWaalsContact SG-N 3.37Å; C292-R298 HydrophobicContact CB-CB 3.83Å; C292-S299 PolarHBondContact N-OG 2.75Å; C292-S299 PolarHBondContact SG-OG 2.92Å
293L94.9Very high97.6Very high103 Ų10329.4 Ų29.454%0.53917%0.169SC..SBendtrans-65.6-59.1178.5-177.363.7000112C217 A218 L242C217-L293 WeakPolarHBondContact CB-O 3.1Å; A218-L293 HydrophobicContact CB-CD1 4.2Å; A218-L293 PolarHBondContact N-O 3.15Å; L242-L293 HydrophobicContact CD1-CB 4.36Å; L242-L293 HydrophobicContact CD1-CD1 4Å; L242-L293 HydrophobicContact CD2-CD1 4.15Å
294A92.3Very high97.6Very high54 Ų5426.2 Ų26.245%0.44614%0.136SC..SBendtrans-104.4-9.9-173.700000114.2I296A294-I296 VanDerWaalsContact C-N 3.34Å; A294-I296 HydrophobicContact CB-CB 4.48Å; A294-I296 HydrophobicContact CB-CD1 3.9Å; A294-I296 HydrophobicContact CB-CG1 4.11Å
295G96Very high97.7Very high0 Ų021 Ų210%011%0.112CC..SBendtrans7125.1-17500000114.5G216 C292 K326G216-G295 WeakPolarHBondContact O-CA 3.46Å; C292-G295 PolarHBondContact SG-N 3.39Å; C292-G295 VanDerWaalsContact SG-N 3.37Å; G295-K326 WeakPolarHBondContact O-CE 3.26Å
296I95.3Very high97.8Very high56 Ų5613 Ų1329%0.2878%0.077SC..SBendtrans-110.4-38-171.8-67.3172.3000113.1A294 V300 S330A294-I296 VanDerWaalsContact C-N 3.34Å; A294-I296 HydrophobicContact CB-CB 4.48Å; A294-I296 HydrophobicContact CB-CD1 3.9Å; A294-I296 HydrophobicContact CB-CG1 4.11Å; I296-V300 VanDerWaalsContact O-CG2 3.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.48Å; I296-S330 CarbonylContact O-C 3.33Å; I296-S330 VanDerWaalsContact O-C 3.29Å; I296-S330 PolarHBondContact O-N 3.15Å
297S97.5Very high97.9Very high4 Ų411.6 Ų11.63%0.0287%0.068CC..SBendtrans-120.9-79.1-170.6171.60000112.9D261 S299 V300 T301 N332D261-S297 WeakPolarHBondContact OD1-CB 3.34Å; D261-S297 PolarHBondContact OD1-OG 3.1Å; D261-S297 WeakPolarHBondContact OD2-CB 3.47Å; D261-S297 PolarHBondContact OD2-OG 3.25Å; S297-S299 PolarHBondContact O-N 3.4Å; S297-V300 CarbonylContact O-C 3.56Å; S297-V300 WeakPolarHBondContact O-CB 3.5Å; S297-V300 PolarHBondContact O-N 2.82Å; S297-V300 VanDerWaalsContact O-N 3.13Å; S297-T301 PolarHBondContact O-N 2.94Å; S297-T301 PolarHBondContact O-OG1 3.18Å; S297-N332 PolarHBondContact OG-N 3.38Å; S297-N332 VanDerWaalsContact OG-N 3.1Å
298R98.7Very high97.9Very high21 Ų2111.6 Ų11.68%0.0797%0.067CC..Hα-helixtrans-54-53.7-174.7-71.3166.9-70.4-179.6-6.2114.8V238 I259 D261 C292 V300 T301 V302 F335V238-R298 HydrophobicContact CB-CB 4.16Å; V238-R298 HydrophobicContact CG1-CB 3.82Å; V238-R298 VanDerWaalsContact O-CD 3.29Å; V238-R298 WeakPolarHBondContact O-CD 3.4Å; I259-R298 WeakPolarHBondContact O-CD 3.45Å; I259-R298 PolarHBondContact O-NH1 2.97Å; I259-R298 VanDerWaalsContact O-NH1 3.11Å; D261-R298 HydrophobicContact CB-CG 4.14Å; C292-R298 HydrophobicContact CB-CB 3.83Å; R298-V300 VanDerWaalsContact C-N 3.3Å; R298-V300 PolarHBondContact O-N 3.15Å; R298-T301 WeakPolarHBondContact O-CB 3.21Å; R298-T301 PolarHBondContact O-N 2.85Å; R298-V302 PolarHBondContact O-N 2.76Å; R298-V302 VanDerWaalsContact O-N 3.13Å; R298-F335 HydrophobicContact CB-CE2 4.45Å; R298-F335 HydrophobicContact CG-CD2 4.43Å; R298-F335 HydrophobicContact CG-CE2 3.51Å; R298-F335 HydrophobicContact CG-CZ 4.18Å
299S98.7Very high97.8Very high0 Ų015.8 Ų15.80%09%0.087CC..Hα-helixtrans-66.5-33.6179.349.70000112.4L215 H291 C292 S297 T303L215-S299 WeakPolarHBondContact CD1-OG 3.34Å; H291-S299 VanDerWaalsContact C-CB 3.48Å; C292-S299 PolarHBondContact N-OG 2.75Å; C292-S299 PolarHBondContact SG-OG 2.92Å; S297-S299 PolarHBondContact O-N 3.4Å; S299-T303 WeakPolarHBondContact O-CB 3.28Å; S299-T303 PolarHBondContact O-N 2.95Å; S299-T303 PolarHBondContact O-OG1 3.48Å
300V98.8Very high97.7Very high0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-62.6-48172.11740000110.1L215 I296 S297 R298 V302 T303 V304 V322 I329 P331L215-V300 HydrophobicContact CD1-CG2 4.23Å; L215-V300 HydrophobicContact CD2-CG2 3.86Å; I296-V300 VanDerWaalsContact O-CG2 3.23Å; I296-V300 WeakPolarHBondContact O-CG2 3.48Å; S297-V300 CarbonylContact O-C 3.56Å; S297-V300 WeakPolarHBondContact O-CB 3.5Å; S297-V300 PolarHBondContact O-N 2.82Å; S297-V300 VanDerWaalsContact O-N 3.13Å; R298-V300 VanDerWaalsContact C-N 3.3Å; R298-V300 PolarHBondContact O-N 3.15Å; V300-V302 VanDerWaalsContact C-N 3.33Å; V300-V302 PolarHBondContact O-N 3.26Å; V300-T303 CarbonylContact O-C 3.6Å; V300-T303 WeakPolarHBondContact O-CB 3.28Å; V300-T303 PolarHBondContact O-N 3.42Å; V300-T303 VanDerWaalsContact O-N 3.08Å; V300-V304 HydrophobicContact CG1-CG2 4.1Å; V300-V304 WeakPolarHBondContact O-CG2 3.43Å; V300-V304 PolarHBondContact O-N 2.77Å; V300-V322 HydrophobicContact CG1-CG1 4.34Å; V300-I329 HydrophobicContact CB-CG2 4.42Å; V300-I329 HydrophobicContact CG1-CB 3.91Å; V300-I329 HydrophobicContact CG1-CD1 3.95Å; V300-I329 HydrophobicContact CG1-CG2 4.03Å; V300-I329 HydrophobicContact CG2-CB 3.93Å; V300-I329 HydrophobicContact CG2-CG2 3.47Å; V300-I329 VanDerWaalsContact CG2-CG2 3.47Å; V300-P331 HydrophobicContact CB-CG 4.19Å; V300-P331 HydrophobicContact CG1-CG 3.64Å
301T98.8Very high97.5Very high0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-55.7-48178.7-55.80000111.5L267 F271 S297 R298 T303 V304 A305 F335 L339L267-T301 HydrophobicContact CD2-CG2 3.86Å; F271-T301 HydrophobicContact CE1-CG2 4.02Å; F271-T301 HydrophobicContact CZ-CG2 3.84Å; S297-T301 PolarHBondContact O-N 2.94Å; S297-T301 PolarHBondContact O-OG1 3.18Å; R298-T301 WeakPolarHBondContact O-CB 3.21Å; R298-T301 PolarHBondContact O-N 2.85Å; T301-T303 VanDerWaalsContact C-N 3.31Å; T301-T303 PolarHBondContact O-N 2.94Å; T301-V304 PolarHBondContact O-N 2.55Å; T301-A305 WeakPolarHBondContact O-CB 3.38Å; T301-A305 PolarHBondContact O-N 2.94Å; T301-F335 HydrophobicContact CG2-CB 3.79Å; T301-F335 HydrophobicContact CG2-CG 4.26Å; T301-F335 WeakPolarHBondContact OG1-CB 3.32Å; T301-L339 HydrophobicContact CG2-CD1 3.98Å; T301-L339 HydrophobicContact CG2-CD2 4.01Å; T301-L339 HydrophobicContact CG2-CG 3.87Å
302V98.9Very high97.3Very high1 Ų129.8 Ų29.81%0.00616%0.156CC..Hα-helixtrans-61.6-41.6176.9172.10000111.4L236 V238 L267 A274 I278 V290 R298 V300 A305 Y306L236-V302 HydrophobicContact CD2-CG1 3.89Å; V238-V302 HydrophobicContact CG1-CG2 4.24Å; V238-V302 HydrophobicContact CG2-CG2 4.06Å; L267-V302 HydrophobicContact CD1-CG2 4.23Å; L267-V302 HydrophobicContact CD2-CG2 4.23Å; L267-V302 HydrophobicContact CG-CG2 4.41Å; A274-V302 HydrophobicContact CB-CG1 3.65Å; I278-V302 HydrophobicContact CD1-CG1 4.19Å; V290-V302 HydrophobicContact CG1-CB 4.17Å; V290-V302 HydrophobicContact CG1-CG1 4Å; R298-V302 PolarHBondContact O-N 2.76Å; R298-V302 VanDerWaalsContact O-N 3.13Å; V300-V302 VanDerWaalsContact C-N 3.33Å; V300-V302 PolarHBondContact O-N 3.26Å; V302-A305 PolarHBondContact O-N 2.78Å; V302-Y306 WeakPolarHBondContact O-CB 3.33Å; V302-Y306 PolarHBondContact O-N 2.83Å
303T98.9Very high97Very high0 Ų031.5 Ų31.50%017%0.165CC..Hα-helixtrans-64.7-43.9178.7-56.90000111.7I209 L213 S299 V300 T301 Y306 L307 V322I209-T303 HydrophobicContact CB-CG2 4.33Å; I209-T303 HydrophobicContact CG1-CG2 4.05Å; I209-T303 HydrophobicContact CG2-CG2 3.98Å; L213-T303 HydrophobicContact CD2-CG2 4.49Å; S299-T303 WeakPolarHBondContact O-CB 3.28Å; S299-T303 PolarHBondContact O-N 2.95Å; S299-T303 PolarHBondContact O-OG1 3.48Å; V300-T303 CarbonylContact O-C 3.6Å; V300-T303 WeakPolarHBondContact O-CB 3.28Å; V300-T303 PolarHBondContact O-N 3.42Å; V300-T303 VanDerWaalsContact O-N 3.08Å; T301-T303 VanDerWaalsContact C-N 3.31Å; T301-T303 PolarHBondContact O-N 2.94Å; T303-Y306 WeakPolarHBondContact O-CB 3.35Å; T303-Y306 PolarHBondContact O-N 3.08Å; T303-L307 WeakPolarHBondContact O-CG 3.46Å; T303-L307 PolarHBondContact O-N 2.9Å; T303-V322 HydrophobicContact CG2-CG2 4.1Å
304V98.8Very high97Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-63.2-46.8176.5173.70000110.4V300 T301 Y306 L307 M308 A318 Y319 V322 L339V300-V304 HydrophobicContact CG1-CG2 4.1Å; V300-V304 WeakPolarHBondContact O-CG2 3.43Å; V300-V304 PolarHBondContact O-N 2.77Å; T301-V304 PolarHBondContact O-N 2.55Å; V304-Y306 VanDerWaalsContact C-N 3.26Å; V304-Y306 PolarHBondContact O-N 2.85Å; V304-L307 PolarHBondContact O-N 2.87Å; V304-L307 VanDerWaalsContact O-N 3.1Å; V304-M308 HydrophobicContact CG1-CG 4.32Å; V304-M308 HydrophobicContact CG1-SD 3.98Å; V304-M308 VanDerWaalsContact O-CG 3.27Å; V304-M308 WeakPolarHBondContact O-CG 3.41Å; V304-M308 PolarHBondContact O-N 3.33Å; V304-A318 HydrophobicContact CG1-CB 3.89Å; V304-Y319 HydrophobicContact CG2-CD2 4.43Å; V304-V322 HydrophobicContact CG2-CB 4.42Å; V304-V322 HydrophobicContact CG2-CG2 3.9Å; V304-L339 HydrophobicContact CB-CD1 4.15Å; V304-L339 HydrophobicContact CB-CD2 4.34Å; V304-L339 HydrophobicContact CG1-CD1 3.89Å; V304-L339 HydrophobicContact CG1-CD2 4.13Å
305A98.8Very high97.2Very high0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-56.8-41175.400000112F271 T301 V302 M308 Q309 L339 F342F271-A305 HydrophobicContact CD1-CB 3.84Å; F271-A305 HydrophobicContact CD2-CB 3.77Å; F271-A305 HydrophobicContact CE1-CB 3.84Å; F271-A305 HydrophobicContact CE2-CB 3.78Å; F271-A305 HydrophobicContact CG-CB 3.8Å; F271-A305 HydrophobicContact CZ-CB 3.82Å; T301-A305 WeakPolarHBondContact O-CB 3.38Å; T301-A305 PolarHBondContact O-N 2.94Å; V302-A305 PolarHBondContact O-N 2.78Å; A305-M308 PolarHBondContact O-N 3.16Å; A305-Q309 PolarHBondContact O-N 2.83Å; A305-Q309 VanDerWaalsContact O-N 3.11Å; A305-L339 HydrophobicContact CB-CD2 3.76Å; A305-F342 HydrophobicContact CB-CD1 4.13Å; A305-F342 HydrophobicContact CB-CE1 4.03Å
306Y98.8Very high96.9Very high0 Ų028.8 Ų28.80%015%0.145CC..Hα-helixtrans-60.8-47.4174.6179.6-98000112.4L210 L213 I275 I278 D279 R282 V302 T303 V304 M308 Q309 K310L210-Y306 HydrophobicContact CD1-CE1 4.29Å; L213-Y306 HydrophobicContact CD2-CD1 3.54Å; L213-Y306 HydrophobicContact CD2-CE1 3.76Å; I275-Y306 HydrophobicContact CB-CD2 4.18Å; I275-Y306 HydrophobicContact CG1-CD2 4.04Å; I275-Y306 HydrophobicContact CG2-CD2 3.87Å; I275-Y306 HydrophobicContact CG2-CE2 4.14Å; I278-Y306 HydrophobicContact CB-CD2 3.85Å; I278-Y306 HydrophobicContact CB-CE2 3.77Å; I278-Y306 HydrophobicContact CD1-CD2 3.94Å; I278-Y306 HydrophobicContact CD1-CG 4.01Å; I278-Y306 HydrophobicContact CG2-CD1 4.07Å; I278-Y306 HydrophobicContact CG2-CD2 3.63Å; I278-Y306 HydrophobicContact CG2-CE1 3.79Å; I278-Y306 HydrophobicContact CG2-CE2 3.34Å; I278-Y306 HydrophobicContact CG2-CG 3.99Å; I278-Y306 VanDerWaalsContact CG2-CZ 3.42Å; D279-Y306 VanDerWaalsContact OD1-CE2 3.3Å; D279-Y306 WeakPolarHBondContact OD1-CE2 3.5Å; D279-Y306 PolarHBondContact OD1-OH 2.84Å; R282-Y306 WeakPolarHBondContact CD-OH 3.49Å; R282-Y306 PolarHBondContact NH1-OH 2.88Å; V302-Y306 WeakPolarHBondContact O-CB 3.33Å; V302-Y306 PolarHBondContact O-N 2.83Å; T303-Y306 WeakPolarHBondContact O-CB 3.35Å; T303-Y306 PolarHBondContact O-N 3.08Å; V304-Y306 VanDerWaalsContact C-N 3.26Å; V304-Y306 PolarHBondContact O-N 2.85Å; Y306-M308 PolarHBondContact O-N 2.99Å; Y306-Q309 PolarHBondContact O-N 3.36Å; Y306-K310 HydrophobicContact CD1-CB 4.43Å; Y306-K310 HydrophobicContact CE1-CB 4.03Å; Y306-K310 HydrophobicContact CE1-CG 4.12Å; Y306-K310 HydrophobicContact CE2-CB 4.31Å; Y306-K310 HydrophobicContact CE2-CG 4.45Å; Y306-K310 WeakPolarHBondContact O-CB 3.27Å; Y306-K310 PolarHBondContact O-N 2.82Å
307L98.6Very high96.7Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-62.9-42.5178.2-65.5-176.9000112I209 L210 T303 V304 Q309 K310 L311 A318 I321 V322I209-L307 HydrophobicContact CG2-CD1 3.94Å; I209-L307 HydrophobicContact CG2-CD2 4.25Å; I209-L307 HydrophobicContact CG2-CG 4.48Å; L210-L307 HydrophobicContact CD1-CD2 3.41Å; L210-L307 VanDerWaalsContact CD1-CD2 3.41Å; L210-L307 HydrophobicContact CD2-CD2 4.43Å; L210-L307 HydrophobicContact CG-CD2 3.81Å; T303-L307 WeakPolarHBondContact O-CG 3.46Å; T303-L307 PolarHBondContact O-N 2.9Å; V304-L307 PolarHBondContact O-N 2.87Å; V304-L307 VanDerWaalsContact O-N 3.1Å; L307-Q309 PolarHBondContact O-N 3.01Å; L307-K310 PolarHBondContact O-N 3.25Å; L307-L311 HydrophobicContact CD2-CD1 4.01Å; L307-L311 VanDerWaalsContact O-CB 3.32Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.18Å; L307-A318 HydrophobicContact CB-CB 3.9Å; L307-I321 HydrophobicContact CD1-CB 4.25Å; L307-I321 HydrophobicContact CD1-CG2 3.93Å; L307-V322 HydrophobicContact CD1-CG2 3.6Å
308M98.3Very high96.7Very high0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-55.9-51.7176.9-67.2166.562.800111.3V304 A305 Y306 N312 L313 M315 A318 L339 F342 E343 L346V304-M308 HydrophobicContact CG1-CG 4.32Å; V304-M308 HydrophobicContact CG1-SD 3.98Å; V304-M308 VanDerWaalsContact O-CG 3.27Å; V304-M308 WeakPolarHBondContact O-CG 3.41Å; V304-M308 PolarHBondContact O-N 3.33Å; A305-M308 PolarHBondContact O-N 3.16Å; Y306-M308 PolarHBondContact O-N 2.99Å; M308-N312 WeakPolarHBondContact O-CA 3.34Å; M308-N312 PolarHBondContact O-N 2.84Å; M308-L313 WeakPolarHBondContact CA-O 3.28Å; M308-L313 PolarHBondContact O-N 3Å; M308-L313 VanDerWaalsContact O-N 3.15Å; M308-M315 HydrophobicContact CE-CB 3.97Å; M308-M315 HydrophobicContact CE-CG 4.38Å; M308-M315 HydrophobicContact SD-CB 4.11Å; M308-M315 HydrophobicContact SD-CG 4.08Å; M308-A318 HydrophobicContact CG-CB 3.52Å; M308-L339 WeakPolarHBondContact CE-O 3.49Å; M308-L339 HydrophobicContact SD-CB 4.43Å; M308-L339 HydrophobicContact SD-CD2 3.95Å; M308-F342 HydrophobicContact CE-CD1 3.97Å; M308-F342 HydrophobicContact SD-CD1 4.34Å; M308-E343 HydrophobicContact CE-CB 3.54Å; M308-E343 HydrophobicContact CE-CG 4.26Å; M308-L346 HydrophobicContact CB-CD1 4.03Å; M308-L346 HydrophobicContact CE-CD1 4.49Å
309Q97.5Very high96.6Very high89 Ų8930.8 Ų30.842%0.41615%0.154SC..Hα-helixtrans-71.4-43.1-179-177.2170.6-11.300112.3I275 A305 Y306 L307 F342 L346I275-Q309 HydrophobicContact CD1-CB 4.07Å; A305-Q309 PolarHBondContact O-N 2.83Å; A305-Q309 VanDerWaalsContact O-N 3.11Å; Y306-Q309 PolarHBondContact O-N 3.36Å; L307-Q309 PolarHBondContact O-N 3.01Å; Q309-F342 HydrophobicContact CB-CE1 4.3Å; Q309-F342 HydrophobicContact CB-CZ 4.24Å; Q309-L346 HydrophobicContact CB-CD1 4.21Å; Q309-L346 HydrophobicContact CB-CD2 4.31Å; Q309-L346 HydrophobicContact CG-CD2 4.16Å
310K96.9Very high96.3Very high98 Ų9834.7 Ų34.743%0.42618%0.175SC..Hα-helixtrans-76.1-35-171.8-166.464.7172.3-168.30113.1D279 Y306 L307D279-K310 WeakPolarHBondContact OD1-CE 3.34Å; D279-K310 IonicContact OD1-NZ 2.83Å; D279-K310 PolarHBondContact OD1-NZ 3.17Å; D279-K310 IonicContact OD2-NZ 2.63Å; D279-K310 PolarHBondContact OD2-NZ 3.04Å; Y306-K310 HydrophobicContact CD1-CB 4.43Å; Y306-K310 HydrophobicContact CE1-CB 4.03Å; Y306-K310 HydrophobicContact CE1-CG 4.12Å; Y306-K310 HydrophobicContact CE2-CB 4.31Å; Y306-K310 HydrophobicContact CE2-CG 4.45Å; Y306-K310 WeakPolarHBondContact O-CB 3.27Å; Y306-K310 PolarHBondContact O-N 2.82Å; L307-K310 PolarHBondContact O-N 3.25Å
311L95.2Very high96.1Very high78 Ų7837.3 Ų37.341%0.40819%0.189SC..Hα-helixtrans-108.53.3-176.1-55.3-177.7000112.7L210 L307 L313L210-L311 HydrophobicContact CD1-CD1 4.27Å; L210-L311 HydrophobicContact CD2-CD1 4.4Å; L307-L311 HydrophobicContact CD2-CD1 4.01Å; L307-L311 VanDerWaalsContact O-CB 3.32Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.18Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 HydrophobicContact CB-CD1 3.75Å; L311-L313 HydrophobicContact CB-CG 3.71Å; L311-L313 HydrophobicContact CD1-CD1 3.91Å; L311-L313 HydrophobicContact CG-CD1 4.46Å; L311-L313 PolarHBondContact O-N 3.39Å
312N93.6Very high96Very high119 Ų11937.3 Ų37.364%0.63619%0.189SC*.THydrogen-bonded Turntrans55.242.9-179-161.682.8000112M308 L348M308-N312 WeakPolarHBondContact O-CA 3.34Å; M308-N312 PolarHBondContact O-N 2.84Å; N312-L348 HydrophobicContact CB-CD2 4.37Å; N312-L348 WeakPolarHBondContact ND2-CD2 3.5Å; N312-L348 WeakPolarHBondContact OD1-CD2 3.45Å
313L92.8Very high95.7Very high38 Ų3840.8 Ų40.820%0.19920%0.204CC..  trans-98.8144.6-176-69.2175.4000111.3M308 L311 D317 A318 I321 L348M308-L313 WeakPolarHBondContact CA-O 3.28Å; M308-L313 PolarHBondContact O-N 3Å; M308-L313 VanDerWaalsContact O-N 3.15Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 HydrophobicContact CB-CD1 3.75Å; L311-L313 HydrophobicContact CB-CG 3.71Å; L311-L313 HydrophobicContact CD1-CD1 3.91Å; L311-L313 HydrophobicContact CG-CD1 4.46Å; L311-L313 PolarHBondContact O-N 3.39Å; L313-D317 HydrophobicContact CB-CB 4.28Å; L313-D317 HydrophobicContact CD2-CB 4.2Å; L313-A318 HydrophobicContact CB-CB 4.13Å; L313-A318 HydrophobicContact CD1-CB 4.47Å; L313-I321 HydrophobicContact CD1-CD1 3.39Å; L313-L348 WeakPolarHBondContact O-CD1 3.2Å
314S93.7Very high95.3Very high10 Ų1048.9 Ų48.97%0.0724%0.244CC..  trans-58.1158.816876.70000110.7N316 D317 A318 E343S314-N316 PolarHBondContact O-N 2.93Å; S314-D317 WeakPolarHBondContact CB-OD2 3.09Å; S314-D317 PolarHBondContact O-N 2.69Å; S314-D317 WeakPolarHBondContact OG-CB 3.37Å; S314-D317 PolarHBondContact OG-N 2.94Å; S314-D317 VanDerWaalsContact OG-N 3.11Å; S314-D317 PolarHBondContact OG-OD2 3.02Å; S314-A318 WeakPolarHBondContact O-CB 3.49Å; S314-A318 PolarHBondContact O-N 3.13Å; S314-E343 WeakPolarHBondContact CA-OE1 3.46Å; S314-E343 WeakPolarHBondContact CB-OE1 3.25Å
315M95.8Very high95.1Very high8 Ų853.2 Ų53.24%0.03926%0.262CS..Hα-helixtrans-55.7-44177-171.4-74.7-70.200110.8M308 Y319 M336 L339 L340 E343M308-M315 HydrophobicContact CE-CB 3.97Å; M308-M315 HydrophobicContact CE-CG 4.38Å; M308-M315 HydrophobicContact SD-CB 4.11Å; M308-M315 HydrophobicContact SD-CG 4.08Å; M315-Y319 VanDerWaalsContact O-CB 3.24Å; M315-Y319 WeakPolarHBondContact O-CB 3.04Å; M315-Y319 PolarHBondContact O-N 3.13Å; M315-M336 HydrophobicContact CE-CG 4.34Å; M315-M336 HydrophobicContact CE-SD 3.6Å; M315-M336 VanDerWaalsContact CE-SD 3.6Å; M315-M336 HydrophobicContact SD-SD 3.45Å; M315-L339 HydrophobicContact CG-CB 3.59Å; M315-L339 HydrophobicContact SD-CB 4.42Å; M315-L340 HydrophobicContact CB-CD2 4.28Å; M315-L340 HydrophobicContact CE-CD1 4.5Å; M315-L340 HydrophobicContact CE-CD2 3.49Å; M315-L340 VanDerWaalsContact CE-CD2 3.49Å; M315-L340 HydrophobicContact CE-CG 3.85Å; M315-L340 HydrophobicContact CG-CD2 4.35Å; M315-E343 HydrophobicContact CB-CB 4.45Å; M315-E343 PolarHBondContact N-OE1 3.35Å
316N91.1Very high94.7Very high83 Ų8353.5 Ų53.544%0.44426%0.264SS..Hα-helixtrans-65.8-47.3179.4-68-33.4000111.7S314 A318 Y319 D320S314-N316 PolarHBondContact O-N 2.93Å; N316-A318 VanDerWaalsContact C-N 3.33Å; N316-A318 PolarHBondContact O-N 2.64Å; N316-Y319 WeakPolarHBondContact O-CB 3.16Å; N316-Y319 PolarHBondContact O-N 2.54Å; N316-D320 WeakPolarHBondContact O-CB 3.43Å; N316-D320 PolarHBondContact O-N 3.33Å
317D90.7Very high94.2Very high81 Ų8158.2 Ų58.243%0.43330%0.296SS..Hα-helixtrans-62.7-42.8-180-60.6-39.4000111.2L313 S314 D320 I321L313-D317 HydrophobicContact CB-CB 4.28Å; L313-D317 HydrophobicContact CD2-CB 4.2Å; S314-D317 WeakPolarHBondContact CB-OD2 3.09Å; S314-D317 PolarHBondContact O-N 2.69Å; S314-D317 WeakPolarHBondContact OG-CB 3.37Å; S314-D317 PolarHBondContact OG-N 2.94Å; S314-D317 VanDerWaalsContact OG-N 3.11Å; S314-D317 PolarHBondContact OG-OD2 3.02Å; D317-D320 PolarHBondContact O-N 2.78Å; D317-I321 WeakPolarHBondContact O-CG1 3.46Å; D317-I321 PolarHBondContact O-N 2.99Å; D317-I321 VanDerWaalsContact O-N 3.09Å
318A97.1Very high93.7Very high0 Ų062 Ų620%032%0.317CS..Hα-helixtrans-64.1-41.3176.200000111.9V304 L307 M308 L313 S314 N316 V322V304-A318 HydrophobicContact CG1-CB 3.89Å; L307-A318 HydrophobicContact CB-CB 3.9Å; M308-A318 HydrophobicContact CG-CB 3.52Å; L313-A318 HydrophobicContact CB-CB 4.13Å; L313-A318 HydrophobicContact CD1-CB 4.47Å; S314-A318 WeakPolarHBondContact O-CB 3.49Å; S314-A318 PolarHBondContact O-N 3.13Å; N316-A318 VanDerWaalsContact C-N 3.33Å; N316-A318 PolarHBondContact O-N 2.64Å; A318-V322 WeakPolarHBondContact O-CG2 3.37Å; A318-V322 PolarHBondContact O-N 3.34Å
319Y96.4Very high93.4Very high41 Ų4162.1 Ų62.116%0.16132%0.318CS..Hα-helixtrans-62.1-46175.4-178.7-89.2000111.7V304 M315 N316 I321 V322 K323 I329 P331 M336V304-Y319 HydrophobicContact CG2-CD2 4.43Å; M315-Y319 VanDerWaalsContact O-CB 3.24Å; M315-Y319 WeakPolarHBondContact O-CB 3.04Å; M315-Y319 PolarHBondContact O-N 3.13Å; N316-Y319 WeakPolarHBondContact O-CB 3.16Å; N316-Y319 PolarHBondContact O-N 2.54Å; Y319-I321 PolarHBondContact O-N 3.32Å; Y319-V322 PolarHBondContact O-N 3.1Å; Y319-V322 VanDerWaalsContact O-N 3.12Å; Y319-K323 HydrophobicContact CD1-CB 4.44Å; Y319-K323 HydrophobicContact CE1-CB 4.24Å; Y319-K323 HydrophobicContact CE1-CD 4.32Å; Y319-K323 HydrophobicContact CE1-CG 4.4Å; Y319-K323 WeakPolarHBondContact O-CB 3.14Å; Y319-K323 PolarHBondContact O-N 3.45Å; Y319-I329 HydrophobicContact CD1-CD1 4.47Å; Y319-I329 HydrophobicContact CD2-CD1 4Å; Y319-I329 HydrophobicContact CE1-CD1 4.12Å; Y319-I329 HydrophobicContact CE2-CD1 3.6Å; Y319-I329 HydrophobicContact CE2-CG1 4.17Å; Y319-I329 HydrophobicContact CG-CD1 4.42Å; Y319-I329 PolarHBondContact OH-O 3.19Å; Y319-P331 HydrophobicContact CE2-CG 4.04Å; Y319-M336 HydrophobicContact CD2-CE 3.86Å; Y319-M336 HydrophobicContact CE2-CE 3.66Å
320D92.1Very high93.1Very high83 Ų8361.2 Ų61.244%0.44432%0.321SS..Hα-helixtrans-64.6-38.2-178.1-74.9-18000112N316 D317 V322 K323 M324N316-D320 WeakPolarHBondContact O-CB 3.43Å; N316-D320 PolarHBondContact O-N 3.33Å; D317-D320 PolarHBondContact O-N 2.78Å; D320-V322 VanDerWaalsContact C-N 3.3Å; D320-V322 PolarHBondContact O-N 3.05Å; D320-K323 PolarHBondContact O-N 3.43Å; D320-K323 VanDerWaalsContact O-N 3.16Å; D320-M324 WeakPolarHBondContact O-CB 3.4Å; D320-M324 VanDerWaalsContact O-CG 3.27Å; D320-M324 WeakPolarHBondContact O-CG 3.47Å; D320-M324 PolarHBondContact O-N 3.18Å
321I94.9Very high93Very high55 Ų5557 Ų5728%0.28230%0.304SS..Hα-helixtrans-56.9-45.3172.4-71.3172.1000111.1L307 L313 D317 Y319 K325L307-I321 HydrophobicContact CD1-CB 4.25Å; L307-I321 HydrophobicContact CD1-CG2 3.93Å; L313-I321 HydrophobicContact CD1-CD1 3.39Å; D317-I321 WeakPolarHBondContact O-CG1 3.46Å; D317-I321 PolarHBondContact O-N 2.99Å; D317-I321 VanDerWaalsContact O-N 3.09Å; Y319-I321 PolarHBondContact O-N 3.32Å; I321-K325 PolarHBondContact O-N 3.24Å
322V97.2Very high92.8Very high0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-69.1-39.9178-173.70000110.3I209 L215 V300 T303 V304 L307 A318 Y319 D320 M324 K325 K326 I329I209-V322 HydrophobicContact CD1-CG1 4.05Å; I209-V322 HydrophobicContact CG2-CG2 4.27Å; L215-V322 HydrophobicContact CD2-CG1 3.74Å; V300-V322 HydrophobicContact CG1-CG1 4.34Å; T303-V322 HydrophobicContact CG2-CG2 4.1Å; V304-V322 HydrophobicContact CG2-CB 4.42Å; V304-V322 HydrophobicContact CG2-CG2 3.9Å; L307-V322 HydrophobicContact CD1-CG2 3.6Å; A318-V322 WeakPolarHBondContact O-CG2 3.37Å; A318-V322 PolarHBondContact O-N 3.34Å; Y319-V322 PolarHBondContact O-N 3.1Å; Y319-V322 VanDerWaalsContact O-N 3.12Å; D320-V322 VanDerWaalsContact C-N 3.3Å; D320-V322 PolarHBondContact O-N 3.05Å; V322-M324 PolarHBondContact O-N 3.25Å; V322-K325 PolarHBondContact O-N 3.35Å; V322-K326 PolarHBondContact O-N 3.04Å; V322-I329 HydrophobicContact CB-CD1 3.93Å; V322-I329 HydrophobicContact CG1-CD1 3.9Å; V322-I329 HydrophobicContact CG1-CG2 3.98Å
323K92.2Very high92.2Very high73 Ų7355.8 Ų55.832%0.31729%0.291SS..Hα-helixtrans-62.5-40.9179.3-17165.8166.5-172.90112.5Y319 D320 K325 K326 S327 I329Y319-K323 HydrophobicContact CD1-CB 4.44Å; Y319-K323 HydrophobicContact CE1-CB 4.24Å; Y319-K323 HydrophobicContact CE1-CD 4.32Å; Y319-K323 HydrophobicContact CE1-CG 4.4Å; Y319-K323 WeakPolarHBondContact O-CB 3.14Å; Y319-K323 PolarHBondContact O-N 3.45Å; D320-K323 PolarHBondContact O-N 3.43Å; D320-K323 VanDerWaalsContact O-N 3.16Å; K323-K325 VanDerWaalsContact C-N 3.25Å; K323-K325 PolarHBondContact O-N 2.86Å; K323-K326 CarbonylContact O-C 3.47Å; K323-K326 PolarHBondContact O-N 2.95Å; K323-S327 WeakPolarHBondContact CE-O 3.26Å; K323-S327 PolarHBondContact NZ-O 3.01Å; K323-S327 WeakPolarHBondContact O-CA 3.39Å; K323-S327 PolarHBondContact O-N 3.15Å; K323-I329 HydrophobicContact CB-CD1 3.9Å; K323-I329 HydrophobicContact CB-CG1 4.23Å; K323-I329 HydrophobicContact CD-CD1 4.09Å; K323-I329 HydrophobicContact CD-CG1 3.49Å; K323-I329 VanDerWaalsContact CD-CG1 3.49Å; K323-I329 HydrophobicContact CG-CG1 4.48Å; K323-I329 PolarHBondContact NZ-O 2.66Å
324M91.8Very high92.1Very high170 Ų17056.3 Ų56.384%0.83729%0.294SS*.Hα-helixtrans-62.4-34.4177.3-75.4-179.369.500112D320 V322D320-M324 WeakPolarHBondContact O-CB 3.4Å; D320-M324 VanDerWaalsContact O-CG 3.27Å; D320-M324 WeakPolarHBondContact O-CG 3.47Å; D320-M324 PolarHBondContact O-N 3.18Å; V322-M324 PolarHBondContact O-N 3.25Å
325K92.9Very high92.3Very high91 Ų9155.9 Ų55.940%0.39629%0.291SS..Hα-helixtrans-86-29.4177.9-67.2-172.1159.4-1520113.2V207 E208 I209 I321 V322 K323V207-K325 HydrophobicContact CG1-CB 3.9Å; E208-K325 WeakPolarHBondContact O-CD 3.21Å; E208-K325 PolarHBondContact O-NZ 3.19Å; I209-K325 HydrophobicContact CD1-CB 4.06Å; I209-K325 HydrophobicContact CD1-CD 4.14Å; I209-K325 WeakPolarHBondContact O-CE 3.17Å; I209-K325 PolarHBondContact O-NZ 2.97Å; I321-K325 PolarHBondContact O-N 3.24Å; V322-K325 PolarHBondContact O-N 3.35Å; K323-K325 VanDerWaalsContact C-N 3.25Å; K323-K325 PolarHBondContact O-N 2.86Å
326K90.6Very high92.3Very high7 Ų757.4 Ų57.43%0.0330%0.298CS..  trans-139.998.5-179.9-176.5171.7170.7550110.2F205 V207 L215 G295 V322 K323 N328 I329F205-K326 HydrophobicContact CE1-CD 4.23Å; F205-K326 VanDerWaalsContact CZ-NZ 3.29Å; V207-K326 HydrophobicContact CG2-CB 4.48Å; V207-K326 HydrophobicContact CG2-CD 4.39Å; L215-K326 HydrophobicContact CD2-CD 3.87Å; L215-K326 HydrophobicContact CG-CD 4.42Å; G295-K326 WeakPolarHBondContact O-CE 3.26Å; V322-K326 PolarHBondContact O-N 3.04Å; K323-K326 CarbonylContact O-C 3.47Å; K323-K326 PolarHBondContact O-N 2.95Å; K326-N328 VanDerWaalsContact C-N 3.29Å; K326-N328 WeakPolarHBondContact CE-OD1 3.31Å; K326-N328 VanDerWaalsContact CG-OD1 3.27Å; K326-N328 WeakPolarHBondContact CG-OD1 3.43Å; K326-N328 PolarHBondContact NZ-OD1 3.04Å; K326-N328 PolarHBondContact O-N 2.8Å; K326-I329 HydrophobicContact CB-CG2 3.95Å; K326-I329 HydrophobicContact CD-CG2 3.88Å; K326-I329 HydrophobicContact CG-CG2 3.78Å; K326-I329 WeakPolarHBondContact O-CG2 3.36Å; K326-I329 PolarHBondContact O-N 2.9Å
327S89Confident92Very high98 Ų9854.7 Ų54.769%0.68529%0.291SS*.THydrogen-bonded Turntrans-67-23.3-172.460.20000114.6K323K323-S327 WeakPolarHBondContact CE-O 3.26Å; K323-S327 PolarHBondContact NZ-O 3.01Å; K323-S327 WeakPolarHBondContact O-CA 3.39Å; K323-S327 PolarHBondContact O-N 3.15Å
328N87.1Confident92.3Very high81 Ų8151.5 Ų51.543%0.43327%0.273SS..THydrogen-bonded Turntrans-93.916.7-177.673.5-23.9000114.5K326K326-N328 VanDerWaalsContact C-N 3.29Å; K326-N328 WeakPolarHBondContact CE-OD1 3.31Å; K326-N328 VanDerWaalsContact CG-OD1 3.27Å; K326-N328 WeakPolarHBondContact CG-OD1 3.43Å; K326-N328 PolarHBondContact NZ-OD1 3.04Å; K326-N328 PolarHBondContact O-N 2.8Å
329I93.8Very high92.4Very high2 Ų251.5 Ų51.51%0.0127%0.273CS..  trans-66141173.165.8166.9000111.7V300 Y319 V322 K323 K326V300-I329 HydrophobicContact CB-CG2 4.42Å; V300-I329 HydrophobicContact CG1-CB 3.91Å; V300-I329 HydrophobicContact CG1-CD1 3.95Å; V300-I329 HydrophobicContact CG1-CG2 4.03Å; V300-I329 HydrophobicContact CG2-CB 3.93Å; V300-I329 HydrophobicContact CG2-CG2 3.47Å; V300-I329 VanDerWaalsContact CG2-CG2 3.47Å; Y319-I329 HydrophobicContact CD1-CD1 4.47Å; Y319-I329 HydrophobicContact CD2-CD1 4Å; Y319-I329 HydrophobicContact CE1-CD1 4.12Å; Y319-I329 HydrophobicContact CE2-CD1 3.6Å; Y319-I329 HydrophobicContact CE2-CG1 4.17Å; Y319-I329 HydrophobicContact CG-CD1 4.42Å; Y319-I329 PolarHBondContact OH-O 3.19Å; V322-I329 HydrophobicContact CB-CD1 3.93Å; V322-I329 HydrophobicContact CG1-CD1 3.9Å; V322-I329 HydrophobicContact CG1-CG2 3.98Å; K323-I329 HydrophobicContact CB-CD1 3.9Å; K323-I329 HydrophobicContact CB-CG1 4.23Å; K323-I329 HydrophobicContact CD-CD1 4.09Å; K323-I329 HydrophobicContact CD-CG1 3.49Å; K323-I329 VanDerWaalsContact CD-CG1 3.49Å; K323-I329 HydrophobicContact CG-CG1 4.48Å; K323-I329 PolarHBondContact NZ-O 2.66Å; K326-I329 HydrophobicContact CB-CG2 3.95Å; K326-I329 HydrophobicContact CD-CG2 3.88Å; K326-I329 HydrophobicContact CG-CG2 3.78Å; K326-I329 WeakPolarHBondContact O-CG2 3.36Å; K326-I329 PolarHBondContact O-N 2.9Å
330S91.2Very high92.3Very high70 Ų7053 Ų5349%0.4928%0.283SS..  trans-161.276.8178.1-175.10000111I296I296-S330 CarbonylContact O-C 3.33Å; I296-S330 VanDerWaalsContact O-C 3.29Å; I296-S330 PolarHBondContact O-N 3.15Å
331P93.8Very high92.3Very high9 Ų952.7 Ų52.76%0.05828%0.282CS..  trans-50.9140.3165.8-2536.2000111.7V300 Y319 M336V300-P331 HydrophobicContact CB-CG 4.19Å; V300-P331 HydrophobicContact CG1-CG 3.64Å; Y319-P331 HydrophobicContact CE2-CG 4.04Å; P331-M336 HydrophobicContact CB-CE 4.16Å; P331-M336 HydrophobicContact CG-CE 4.16Å
332N91.4Very high92.4Very high32 Ų3251.2 Ų51.217%0.17127%0.273CS..  trans-62.8154.2172.677.860.8000110.8D261 S297 N334 F335 M336D261-N332 PolarHBondContact OD1-ND2 2.87Å; S297-N332 PolarHBondContact OG-N 3.38Å; S297-N332 VanDerWaalsContact OG-N 3.1Å; N332-N334 PolarHBondContact O-N 3.03Å; N332-N334 VanDerWaalsContact O-N 3.16Å; N332-N334 WeakPolarHBondContact OD1-CA 3.37Å; N332-N334 WeakPolarHBondContact OD1-CB 3.46Å; N332-N334 PolarHBondContact OD1-N 2.78Å; N332-F335 WeakPolarHBondContact ND2-CD2 3.4Å; N332-F335 WeakPolarHBondContact ND2-CE2 3.32Å; N332-F335 WeakPolarHBondContact ND2-CG 3.28Å; N332-F335 PolarHBondContact O-N 2.82Å; N332-F335 PolarHBondContact OD1-N 3.22Å; N332-M336 PolarHBondContact O-N 2.96Å
333F81.6Confident92.4Very high139 Ų13951.6 Ų51.661%0.6128%0.275SS*.Hα-helixtrans-59.1-31.2-174.5-68.5-81.7000114.6S60 M336 G337S60-F333 VanDerWaalsContact CB-CD2 3.45Å; S60-F333 WeakPolarHBondContact OG-CD2 3.42Å; S60-F333 WeakPolarHBondContact OG-CE2 3.38Å; S60-F333 VanDerWaalsContact OG-CG 3.22Å; S60-F333 WeakPolarHBondContact OG-CG 3.37Å; F333-M336 PolarHBondContact O-N 3.44Å; F333-G337 PolarHBondContact O-N 2.94Å
334N90.3Very high92.4Very high50 Ų5056.3 Ų56.327%0.26729%0.291SS..Hα-helixtrans-69.6-41.8176.7166.764.3000110.9W263 Q265 N332 M336 G337 Q338W263-N334 HydrophobicContact CB-CB 4.36Å; W263-N334 WeakPolarHBondContact O-CB 3.34Å; W263-N334 PolarHBondContact O-ND2 3.41Å; W263-N334 PolarHBondContact O-OD1 3.48Å; Q265-N334 PolarHBondContact O-ND2 2.91Å; N332-N334 PolarHBondContact O-N 3.03Å; N332-N334 VanDerWaalsContact O-N 3.16Å; N332-N334 WeakPolarHBondContact OD1-CA 3.37Å; N332-N334 WeakPolarHBondContact OD1-CB 3.46Å; N332-N334 PolarHBondContact OD1-N 2.78Å; N334-M336 VanDerWaalsContact C-N 3.31Å; N334-M336 PolarHBondContact O-N 3.5Å; N334-G337 PolarHBondContact O-N 2.64Å; N334-Q338 PolarHBondContact ND2-NE2 3.42Å; N334-Q338 WeakPolarHBondContact O-CG 3.34Å; N334-Q338 PolarHBondContact O-N 3.44Å; N334-Q338 PolarHBondContact OD1-NE2 2.87Å
335F97.4Very high92.5Very high0 Ų053.3 Ų53.30%028%0.282CS..Hα-helixtrans-66.3-34.1172.6-67.6-14.9000112.6I259 Q265 L267 R298 T301 N332 Q338 L339I259-F335 HydrophobicContact CG2-CE1 4.36Å; I259-F335 HydrophobicContact CG2-CZ 3.77Å; Q265-F335 HydrophobicContact CB-CE1 4.13Å; Q265-F335 HydrophobicContact CB-CZ 4.3Å; L267-F335 HydrophobicContact CB-CD1 3.84Å; L267-F335 HydrophobicContact CB-CE1 3.58Å; L267-F335 HydrophobicContact CB-CZ 4.11Å; L267-F335 HydrophobicContact CD2-CD1 4.3Å; L267-F335 HydrophobicContact CD2-CD2 4.05Å; L267-F335 HydrophobicContact CD2-CE1 4.21Å; L267-F335 HydrophobicContact CD2-CE2 3.99Å; L267-F335 HydrophobicContact CD2-CG 4.25Å; L267-F335 HydrophobicContact CD2-CZ 4.07Å; R298-F335 HydrophobicContact CB-CE2 4.45Å; R298-F335 HydrophobicContact CG-CD2 4.43Å; R298-F335 HydrophobicContact CG-CE2 3.51Å; R298-F335 HydrophobicContact CG-CZ 4.18Å; T301-F335 HydrophobicContact CG2-CB 3.79Å; T301-F335 HydrophobicContact CG2-CG 4.26Å; T301-F335 WeakPolarHBondContact OG1-CB 3.32Å; N332-F335 WeakPolarHBondContact ND2-CD2 3.4Å; N332-F335 WeakPolarHBondContact ND2-CE2 3.32Å; N332-F335 WeakPolarHBondContact ND2-CG 3.28Å; N332-F335 PolarHBondContact O-N 2.82Å; N332-F335 PolarHBondContact OD1-N 3.22Å; F335-Q338 PolarHBondContact O-N 3.15Å; F335-L339 WeakPolarHBondContact O-CG 3.29Å; F335-L339 PolarHBondContact O-N 3.13Å
336M96.1Very high92.5Very high40 Ų4051.6 Ų51.620%0.19728%0.277CS..Hα-helixtrans-61.5-44.6171.3-165.560.471.500111.8M315 Y319 P331 N332 F333 N334 Q338 L339 L340M315-M336 HydrophobicContact CE-CG 4.34Å; M315-M336 HydrophobicContact CE-SD 3.6Å; M315-M336 VanDerWaalsContact CE-SD 3.6Å; M315-M336 HydrophobicContact SD-SD 3.45Å; Y319-M336 HydrophobicContact CD2-CE 3.86Å; Y319-M336 HydrophobicContact CE2-CE 3.66Å; P331-M336 HydrophobicContact CB-CE 4.16Å; P331-M336 HydrophobicContact CG-CE 4.16Å; N332-M336 PolarHBondContact O-N 2.96Å; F333-M336 PolarHBondContact O-N 3.44Å; N334-M336 VanDerWaalsContact C-N 3.31Å; N334-M336 PolarHBondContact O-N 3.5Å; M336-Q338 VanDerWaalsContact C-N 3.32Å; M336-Q338 PolarHBondContact O-N 2.98Å; M336-L339 PolarHBondContact O-N 3.29Å; M336-L339 HydrophobicContact SD-CD1 4.38Å; M336-L340 PolarHBondContact O-N 3.38Å; M336-L340 VanDerWaalsContact O-N 3.08Å
337G85.1Confident92.3Very high27 Ų2754.2 Ų54.228%0.27831%0.306SS..Hα-helixtrans-60.4-40.9173.500000112.7F333 N334 L339 L340 D341F333-G337 PolarHBondContact O-N 2.94Å; N334-G337 PolarHBondContact O-N 2.64Å; G337-L339 VanDerWaalsContact C-N 3.33Å; G337-L339 PolarHBondContact O-N 3.32Å; G337-L340 WeakPolarHBondContact O-CB 3.36Å; G337-L340 PolarHBondContact O-N 2.96Å; G337-D341 VanDerWaalsContact O-CG 3.3Å; G337-D341 PolarHBondContact O-N 2.83Å
338Q97.2Very high91.9Very high14 Ų1450.4 Ų50.47%0.06528%0.278CS..Hα-helixtrans-65.3-33.3176.3-75.8173.835.400113.5Q265 N334 F335 M336 D341 F342Q265-Q338 PolarHBondContact O-NE2 2.79Å; N334-Q338 PolarHBondContact ND2-NE2 3.42Å; N334-Q338 WeakPolarHBondContact O-CG 3.34Å; N334-Q338 PolarHBondContact O-N 3.44Å; N334-Q338 PolarHBondContact OD1-NE2 2.87Å; F335-Q338 PolarHBondContact O-N 3.15Å; M336-Q338 VanDerWaalsContact C-N 3.32Å; M336-Q338 PolarHBondContact O-N 2.98Å; Q338-D341 PolarHBondContact O-N 3.19Å; Q338-F342 WeakPolarHBondContact O-CB 3.5Å; Q338-F342 PolarHBondContact O-N 3.03Å
339L97.9Very high90.7Very high0 Ų055.5 Ų55.50%030%0.296CS..Hα-helixtrans-68.3-42.5172.4-71.2168.5000111.4F271 T301 V304 A305 M308 M315 F335 M336 G337 D341 F342 E343F271-L339 HydrophobicContact CE2-CD2 4.06Å; F271-L339 HydrophobicContact CZ-CD2 3.85Å; T301-L339 HydrophobicContact CG2-CD1 3.98Å; T301-L339 HydrophobicContact CG2-CD2 4.01Å; T301-L339 HydrophobicContact CG2-CG 3.87Å; V304-L339 HydrophobicContact CB-CD1 4.15Å; V304-L339 HydrophobicContact CB-CD2 4.34Å; V304-L339 HydrophobicContact CG1-CD1 3.89Å; V304-L339 HydrophobicContact CG1-CD2 4.13Å; A305-L339 HydrophobicContact CB-CD2 3.76Å; M308-L339 WeakPolarHBondContact CE-O 3.49Å; M308-L339 HydrophobicContact SD-CB 4.43Å; M308-L339 HydrophobicContact SD-CD2 3.95Å; M315-L339 HydrophobicContact CG-CB 3.59Å; M315-L339 HydrophobicContact SD-CB 4.42Å; F335-L339 WeakPolarHBondContact O-CG 3.29Å; F335-L339 PolarHBondContact O-N 3.13Å; M336-L339 PolarHBondContact O-N 3.29Å; M336-L339 HydrophobicContact SD-CD1 4.38Å; G337-L339 VanDerWaalsContact C-N 3.33Å; G337-L339 PolarHBondContact O-N 3.32Å; L339-D341 VanDerWaalsContact C-N 3.31Å; L339-D341 PolarHBondContact O-N 3.44Å; L339-F342 WeakPolarHBondContact O-CB 3.48Å; L339-F342 PolarHBondContact O-N 3.17Å; L339-F342 VanDerWaalsContact O-N 3.17Å; L339-E343 PolarHBondContact O-N 3.49Å
340L93.9Very high88.9Confident71 Ų7156.2 Ų56.237%0.37230%0.301SS..Hα-helixtrans-61.2-40.4173.4-70.5169.2000111.9M315 M336 G337 F342 E343 R344M315-L340 HydrophobicContact CB-CD2 4.28Å; M315-L340 HydrophobicContact CE-CD1 4.5Å; M315-L340 HydrophobicContact CE-CD2 3.49Å; M315-L340 VanDerWaalsContact CE-CD2 3.49Å; M315-L340 HydrophobicContact CE-CG 3.85Å; M315-L340 HydrophobicContact CG-CD2 4.35Å; M336-L340 PolarHBondContact O-N 3.38Å; M336-L340 VanDerWaalsContact O-N 3.08Å; G337-L340 WeakPolarHBondContact O-CB 3.36Å; G337-L340 PolarHBondContact O-N 2.96Å; L340-F342 VanDerWaalsContact C-N 3.32Å; L340-E343 WeakPolarHBondContact O-CB 3.19Å; L340-E343 PolarHBondContact O-N 3Å; L340-R344 PolarHBondContact O-N 2.87Å
341D93.4Very high87.1Confident78 Ų7858.3 Ų58.342%0.41731%0.314SS..Hα-helixtrans-63.5-41.4174.3-69-13.3000111.2G337 Q338 L339 R344 T345G337-D341 VanDerWaalsContact O-CG 3.3Å; G337-D341 PolarHBondContact O-N 2.83Å; Q338-D341 PolarHBondContact O-N 3.19Å; L339-D341 VanDerWaalsContact C-N 3.31Å; L339-D341 PolarHBondContact O-N 3.44Å; D341-R344 VanDerWaalsContact CG-NH2 3.34Å; D341-R344 WeakPolarHBondContact O-CB 3.22Å; D341-R344 PolarHBondContact O-N 3.18Å; D341-R344 IonicContact OD1-CZ 3.64Å; D341-R344 IonicContact OD1-NE 2.8Å; D341-R344 IonicContact OD1-NH2 3.91Å; D341-R344 PolarHBondContact OD1-NH2 3Å; D341-T345 WeakPolarHBondContact O-CG2 3.16Å; D341-T345 PolarHBondContact O-N 3.33Å
342F97.5Very high85Confident23 Ų2362.8 Ų62.810%0.10134%0.344CS..Hα-helixtrans-64.4-41.2176.6-175-121.9000112.5F271 I275 A305 M308 Q309 Q338 L339 L340 R344 T345 L346F271-F342 HydrophobicContact CB-CE2 4.36Å; F271-F342 HydrophobicContact CB-CZ 4.37Å; F271-F342 HydrophobicContact CD2-CB 4.05Å; F271-F342 AromaticContact CD2-CD1 3.81Å; F271-F342 HydrophobicContact CD2-CD1 3.81Å; F271-F342 AromaticContact CD2-CD2 3.78Å; F271-F342 HydrophobicContact CD2-CD2 3.78Å; F271-F342 HydrophobicContact CD2-CE1 4.15Å; F271-F342 HydrophobicContact CD2-CE2 4.13Å; F271-F342 AromaticContact CD2-CG 3.61Å; F271-F342 HydrophobicContact CD2-CG 3.61Å; F271-F342 HydrophobicContact CD2-CZ 4.29Å; F271-F342 HydrophobicContact CE2-CB 3.88Å; F271-F342 HydrophobicContact CE2-CD1 4.1Å; F271-F342 HydrophobicContact CE2-CD2 4.47Å; F271-F342 AromaticContact CE2-CG 3.91Å; F271-F342 HydrophobicContact CE2-CG 3.91Å; I275-F342 HydrophobicContact CD1-CE1 4.31Å; I275-F342 HydrophobicContact CD1-CZ 3.99Å; A305-F342 HydrophobicContact CB-CD1 4.13Å; A305-F342 HydrophobicContact CB-CE1 4.03Å; M308-F342 HydrophobicContact CE-CD1 3.97Å; M308-F342 HydrophobicContact SD-CD1 4.34Å; Q309-F342 HydrophobicContact CB-CE1 4.3Å; Q309-F342 HydrophobicContact CB-CZ 4.24Å; Q338-F342 WeakPolarHBondContact O-CB 3.5Å; Q338-F342 PolarHBondContact O-N 3.03Å; L339-F342 WeakPolarHBondContact O-CB 3.48Å; L339-F342 PolarHBondContact O-N 3.17Å; L339-F342 VanDerWaalsContact O-N 3.17Å; L340-F342 VanDerWaalsContact C-N 3.32Å; F342-R344 VanDerWaalsContact C-N 3.26Å; F342-R344 PolarHBondContact O-N 3.26Å; F342-T345 WeakPolarHBondContact CA-OG1 3.41Å; F342-T345 WeakPolarHBondContact CD2-OG1 3.06Å; F342-T345 PolarHBondContact O-N 3.1Å; F342-T345 PolarHBondContact O-OG1 2.91Å; F342-L346 HydrophobicContact CD1-CD1 4.01Å; F342-L346 HydrophobicContact CD1-CG 4.49Å; F342-L346 HydrophobicContact CE1-CD1 3.66Å; F342-L346 HydrophobicContact CE1-CD2 4.45Å; F342-L346 HydrophobicContact CE1-CG 4.21Å; F342-L346 HydrophobicContact CE2-CD2 4.21Å; F342-L346 HydrophobicContact CE2-CG 4.34Å; F342-L346 HydrophobicContact CZ-CD1 4.03Å; F342-L346 HydrophobicContact CZ-CD2 3.96Å; F342-L346 HydrophobicContact CZ-CG 4.14Å; F342-L346 WeakPolarHBondContact O-CG 3.36Å; F342-L346 PolarHBondContact O-N 3.45Å
343E96.2Very high83Confident9 Ų965.8 Ų65.84%0.04236%0.36CS..Hα-helixtrans-52.5-45.8172.8-174.4-179.3-118.700111.6M308 S314 M315 L339 L340 T345 L346 G347 L348 S350M308-E343 HydrophobicContact CE-CB 3.54Å; M308-E343 HydrophobicContact CE-CG 4.26Å; S314-E343 WeakPolarHBondContact CA-OE1 3.46Å; S314-E343 WeakPolarHBondContact CB-OE1 3.25Å; M315-E343 HydrophobicContact CB-CB 4.45Å; M315-E343 PolarHBondContact N-OE1 3.35Å; L339-E343 PolarHBondContact O-N 3.49Å; L340-E343 WeakPolarHBondContact O-CB 3.19Å; L340-E343 PolarHBondContact O-N 3Å; E343-T345 VanDerWaalsContact C-N 3.32Å; E343-T345 PolarHBondContact O-N 3.37Å; E343-L346 PolarHBondContact O-N 2.96Å; E343-L346 VanDerWaalsContact O-N 3.15Å; E343-G347 PolarHBondContact O-N 3.3Å; E343-L348 HydrophobicContact CG-CB 3.89Å; E343-L348 HydrophobicContact CG-CD1 4.31Å; E343-L348 PolarHBondContact O-N 3.08Å; E343-S350 PolarHBondContact OE2-OG 3.17Å
344R92.4Very high81.1Confident171 Ų17166.5 Ų66.565%0.64537%0.37SS*.Hα-helixtrans-62.2-38.9177-65-174.4-65.2128.2-6.3111.9L340 D341 F342 L346 G347L340-R344 PolarHBondContact O-N 2.87Å; D341-R344 VanDerWaalsContact CG-NH2 3.34Å; D341-R344 WeakPolarHBondContact O-CB 3.22Å; D341-R344 PolarHBondContact O-N 3.18Å; D341-R344 IonicContact OD1-CZ 3.64Å; D341-R344 IonicContact OD1-NE 2.8Å; D341-R344 IonicContact OD1-NH2 3.91Å; D341-R344 PolarHBondContact OD1-NH2 3Å; F342-R344 VanDerWaalsContact C-N 3.26Å; F342-R344 PolarHBondContact O-N 3.26Å; R344-L346 VanDerWaalsContact C-N 3.28Å; R344-L346 PolarHBondContact O-N 2.91Å; R344-G347 PolarHBondContact O-N 3.18Å
345T94.6Very high78.9Confident107 Ų10774.5 Ų74.566%0.65640%0.396SS*.Hα-helixtrans-68.3-26.9176.9660000113.4D341 F342 E343 G347D341-T345 WeakPolarHBondContact O-CG2 3.16Å; D341-T345 PolarHBondContact O-N 3.33Å; F342-T345 WeakPolarHBondContact CA-OG1 3.41Å; F342-T345 WeakPolarHBondContact CD2-OG1 3.06Å; F342-T345 PolarHBondContact O-N 3.1Å; F342-T345 PolarHBondContact O-OG1 2.91Å; E343-T345 VanDerWaalsContact C-N 3.32Å; E343-T345 PolarHBondContact O-N 3.37Å; T345-G347 VanDerWaalsContact C-N 3.27Å
346L92.7Very high76.1Confident55 Ų5579.8 Ų79.829%0.28843%0.429SS..THydrogen-bonded Turntrans-79.2-9.3175.2-64.9177.3000112.8M308 Q309 F342 E343 R344 L348M308-L346 HydrophobicContact CB-CD1 4.03Å; M308-L346 HydrophobicContact CE-CD1 4.49Å; Q309-L346 HydrophobicContact CB-CD1 4.21Å; Q309-L346 HydrophobicContact CB-CD2 4.31Å; Q309-L346 HydrophobicContact CG-CD2 4.16Å; F342-L346 HydrophobicContact CD1-CD1 4.01Å; F342-L346 HydrophobicContact CD1-CG 4.49Å; F342-L346 HydrophobicContact CE1-CD1 3.66Å; F342-L346 HydrophobicContact CE1-CD2 4.45Å; F342-L346 HydrophobicContact CE1-CG 4.21Å; F342-L346 HydrophobicContact CE2-CD2 4.21Å; F342-L346 HydrophobicContact CE2-CG 4.34Å; F342-L346 HydrophobicContact CZ-CD1 4.03Å; F342-L346 HydrophobicContact CZ-CD2 3.96Å; F342-L346 HydrophobicContact CZ-CG 4.14Å; F342-L346 WeakPolarHBondContact O-CG 3.36Å; F342-L346 PolarHBondContact O-N 3.45Å; E343-L346 PolarHBondContact O-N 2.96Å; E343-L346 VanDerWaalsContact O-N 3.15Å; R344-L346 VanDerWaalsContact C-N 3.28Å; R344-L346 PolarHBondContact O-N 2.91Å; L346-L348 VanDerWaalsContact C-N 3.27Å; L346-L348 HydrophobicContact CB-CD1 3.92Å; L346-L348 HydrophobicContact CB-CG 3.79Å; L346-L348 HydrophobicContact CD1-CD1 3.86Å; L346-L348 PolarHBondContact O-N 2.9Å
347G86.4Confident73.6Confident62 Ų6284.5 Ų84.564%0.63946%0.459SS*.THydrogen-bonded Turntrans70.721.1-178.500000113.9E343 R344 T345E343-G347 PolarHBondContact O-N 3.3Å; R344-G347 PolarHBondContact O-N 3.18Å; T345-G347 VanDerWaalsContact C-N 3.27Å
348L80.9Confident71.2Confident19 Ų1988.3 Ų88.310%0.09948%0.477CS..  trans-76.5130179.4-59.8174000109.6N312 L313 E343 L346 S350N312-L348 HydrophobicContact CB-CD2 4.37Å; N312-L348 WeakPolarHBondContact ND2-CD2 3.5Å; N312-L348 WeakPolarHBondContact OD1-CD2 3.45Å; L313-L348 WeakPolarHBondContact O-CD1 3.2Å; E343-L348 HydrophobicContact CG-CB 3.89Å; E343-L348 HydrophobicContact CG-CD1 4.31Å; E343-L348 PolarHBondContact O-N 3.08Å; L346-L348 VanDerWaalsContact C-N 3.27Å; L346-L348 HydrophobicContact CB-CD1 3.92Å; L346-L348 HydrophobicContact CB-CG 3.79Å; L346-L348 HydrophobicContact CD1-CD1 3.86Å; L346-L348 PolarHBondContact O-N 2.9Å; L348-S350 PolarHBondContact O-N 3.31Å
349K60.6Low68.6Low188 Ų18892.9 Ų92.982%0.81751%0.508SS*.  trans-80.9113.9176.8-67.3-175-179.2-178.50109.3
350S56.8Low66.3Low16 Ų1699.4 Ų99.411%0.11255%0.548CS..  trans-68.6141.2170.6-109.10000110E343 L348 C352 D353E343-S350 PolarHBondContact OE2-OG 3.17Å; L348-S350 PolarHBondContact O-N 3.31Å; S350-C352 PolarHBondContact O-N 3.33Å; S350-D353 WeakPolarHBondContact O-CB 3.43Å; S350-D353 PolarHBondContact O-N 3.42Å
351P54.1Low63.7Low115 Ų115104.4 Ų104.475%0.74757%0.57SS**THydrogen-bonded Turntrans-57.8-20.8176.2-2533.3000114
352C48.3Very low61.3Low103 Ų103104.2 Ų104.270%0.69657%0.572SS**THydrogen-bonded Turntrans-89.60.2175.858.10000114.6S350 N354S350-C352 PolarHBondContact O-N 3.33Å; C352-N354 PolarHBondContact O-N 3.03Å
353D48.9Very low58.8Low95 Ų95109.3 Ų109.351%0.50860%0.6SS.*  trans-81.767.5-179.5-117.4-11.8000111.1S350 R355S350-D353 WeakPolarHBondContact O-CB 3.43Å; S350-D353 PolarHBondContact O-N 3.42Å; D353-R355 PolarHBondContact O-N 3.14Å; D353-R355 VanDerWaalsContact O-N 3.08Å
354N41.7Very low56.5Low153 Ų153115 Ų11582%0.81862%0.622SS**  trans-75.924.2168.5-86.6-20.1000112.9C352 V356C352-N354 PolarHBondContact O-N 3.03Å; N354-V356 PolarHBondContact O-N 3Å; N354-V356 VanDerWaalsContact O-N 3.15Å
355R45.7Very low54.3Low218 Ų218112.8 Ų112.882%0.82362%0.617SS**  trans-87.271.3167.9-75.7-176.3168.8178.3-2.6109.5D353 V357D353-R355 PolarHBondContact O-N 3.14Å; D353-R355 VanDerWaalsContact O-N 3.08Å; R355-V357 VanDerWaalsContact C-N 3.32Å; R355-V357 PolarHBondContact O-N 3.29Å
356V38.6Very low51.9Low112 Ų112111.4 Ų111.468%0.67961%0.609SS**  trans-64.2103.2152.8-179.50000105.9N354 T358N354-V356 PolarHBondContact O-N 3Å; N354-V356 VanDerWaalsContact O-N 3.15Å; V356-T358 HydrophobicContact CG1-CG2 4.14Å; V356-T358 PolarHBondContact O-N 3Å
357V43.5Very low49.6Very low139 Ų139111.6 Ų111.684%0.84261%0.612SS**  trans-69.684163.21800000106.4R355R355-V357 VanDerWaalsContact C-N 3.32Å; R355-V357 PolarHBondContact O-N 3.29Å
358T34.5Very low47.7Very low106 Ų106114.9 Ų114.965%0.6562%0.623SS**  trans-88136.4161.66.90000108.1V356 T360V356-T358 HydrophobicContact CG1-CG2 4.14Å; V356-T358 PolarHBondContact O-N 3Å; T358-T360 PolarHBondContact O-N 3.17Å
359P42.1Very low46.1Very low111 Ų111120.1 Ų120.172%0.72166%0.655SS**SBendtrans-66.7126.9-178.6-9.724.4000110.3
360T48.9Very low45.5Very low136 Ų136116.1 Ų116.183%0.83464%0.643SS**  trans49.287.7161.855.50000116.8T358T358-T360 PolarHBondContact O-N 3.17Å
361Q40.8Very low45.2Very low177 Ų177124.3 Ų124.383%0.82768%0.679SS**  trans-121.4134144.6-80.9-170.2-16.700109.4L363Q361-L363 PolarHBondContact O-N 3.2Å
362P42.8Very low44.7Very low73 Ų73123.4 Ų123.447%0.47467%0.668SS.*  trans-64.8131.9179.424-29.9000110.4Y364P362-Y364 HydrophobicContact CB-CE2 4.12Å; P362-Y364 HydrophobicContact CG-CE2 3.84Å; P362-Y364 WeakPolarHBondContact CG-OH 3.47Å; P362-Y364 WeakPolarHBondContact O-CD2 3.46Å; P362-Y364 WeakPolarHBondContact O-CE2 3.47Å
363L44.5Very low44.6Very low130 Ų130123 Ų12368%0.68166%0.662SS**  trans-84.4127.9177.1-67.4173.5000109.4Q361 L376Q361-L363 PolarHBondContact O-N 3.2Å; L363-L376 PolarHBondContact O-N 3.43Å
364Y48.1Very low44.8Very low128 Ų128124.3 Ų124.350%0.50266%0.663SS.*EExtended strand (participates in β ladder)trans-112.4144.2174.9-60.3-79.4000110P362 V373 F374 Q375P362-Y364 HydrophobicContact CB-CE2 4.12Å; P362-Y364 HydrophobicContact CG-CE2 3.84Å; P362-Y364 WeakPolarHBondContact CG-OH 3.47Å; P362-Y364 WeakPolarHBondContact O-CD2 3.46Å; P362-Y364 WeakPolarHBondContact O-CE2 3.47Å; Y364-V373 HydrophobicContact CD1-CG1 3.59Å; Y364-V373 HydrophobicContact CE1-CG1 4.47Å; Y364-V373 HydrophobicContact CG-CG1 3.8Å; Y364-F374 WeakPolarHBondContact CA-O 3.44Å; Y364-Q375 HydrophobicContact CD1-CB 4.04Å; Y364-Q375 HydrophobicContact CD1-CG 4.4Å; Y364-Q375 HydrophobicContact CE1-CB 3.76Å; Y364-Q375 HydrophobicContact CE1-CG 3.89Å
365F46.6Very low45Very low126 Ų126122.1 Ų122.155%0.55365%0.648SS**EExtended strand (participates in β ladder)trans-121.9141.5170.9-174.8-99000110.5T367 F374 L376F365-T367 HydrophobicContact CD1-CG2 4.33Å; F365-T367 HydrophobicContact CE1-CG2 3.87Å; F365-F374 PolarHBondContact N-O 3.28Å; F365-F374 VanDerWaalsContact N-O 3.17Å; F365-F374 PolarHBondContact O-N 3.35Å; F365-L376 HydrophobicContact CB-CD1 4.49Å
366T42.6Very low45Very low78 Ų78117.1 Ų117.148%0.47964%0.637SS.*EExtended strand (participates in β ladder)trans-115.4137.8171.849.30000109.4V373T366-V373 HydrophobicContact CG2-CG2 4.1Å
367T44.8Very low45.6Very low58 Ų58117.7 Ų117.736%0.35664%0.636SS.*EExtended strand (participates in β ladder)trans-87.1149.9175.948.10000110.4F365 T369 N370F365-T367 HydrophobicContact CD1-CG2 4.33Å; F365-T367 HydrophobicContact CE1-CG2 3.87Å; T367-T369 PolarHBondContact O-N 3.08Å; T367-N370 PolarHBondContact O-N 3.38Å
368P47.6Very low45.6Very low132 Ų132116.7 Ų116.786%0.85763%0.633SS**THydrogen-bonded Turntrans-63.5-11.6-176.2-20.832000115
369T46.5Very low46Very low128 Ų128120 Ų12079%0.78565%0.645SS**THydrogen-bonded Turntrans-121.45.8-172.733.40000114.5T367T367-T369 PolarHBondContact O-N 3.08Å
370N47.6Very low45.9Very low105 Ų105123.5 Ų123.556%0.56165%0.652SS**EExtended strand (participates in β ladder)trans-157.4129.4169.4-107.1-42.6000111.7T367 N372T367-N370 PolarHBondContact O-N 3.38Å; N370-N372 PolarHBondContact O-N 3.29Å
371H50.3Low45.4Very low188 Ų188123 Ų12387%0.8766%0.655SS**EExtended strand (participates in β ladder)trans-69.518.1178.7-76.7-65.1000114.8
372N43.8Very low45.3Very low96 Ų96124.6 Ų124.651%0.51368%0.677SS.*EExtended strand (participates in β ladder)trans-80.8126.8175-70.2-23.2000109.7N370 F374N370-N372 PolarHBondContact O-N 3.29Å; N372-F374 HydrophobicContact CB-CE2 3.71Å; N372-F374 HydrophobicContact CB-CZ 3.94Å; N372-F374 WeakPolarHBondContact O-CD2 3.43Å
373V47.2Very low45.5Very low93 Ų93127.2 Ų127.256%0.56469%0.687SS**EExtended strand (participates in β ladder)trans-89.9122179.8-175.70000108.4Y364 T366Y364-V373 HydrophobicContact CD1-CG1 3.59Å; Y364-V373 HydrophobicContact CE1-CG1 4.47Å; Y364-V373 HydrophobicContact CG-CG1 3.8Å; T366-V373 HydrophobicContact CG2-CG2 4.1Å
374F52.5Low45.5Very low124 Ų124127 Ų12754%0.54469%0.687SS.*EExtended strand (participates in β ladder)trans-111130.6177-63.7-85.4000110.4Y364 F365 N372Y364-F374 WeakPolarHBondContact CA-O 3.44Å; F365-F374 PolarHBondContact N-O 3.28Å; F365-F374 VanDerWaalsContact N-O 3.17Å; F365-F374 PolarHBondContact O-N 3.35Å; N372-F374 HydrophobicContact CB-CE2 3.71Å; N372-F374 HydrophobicContact CB-CZ 3.94Å; N372-F374 WeakPolarHBondContact O-CD2 3.43Å
375Q46.9Very low45.4Very low107 Ų107126.9 Ų126.950%0.570%0.697SS.*EExtended strand (participates in β ladder)trans-81.2132.1174.6-170.8173.6-46.800109.6Y364 D377Y364-Q375 HydrophobicContact CD1-CB 4.04Å; Y364-Q375 HydrophobicContact CD1-CG 4.4Å; Y364-Q375 HydrophobicContact CE1-CB 3.76Å; Y364-Q375 HydrophobicContact CE1-CG 3.89Å; Q375-D377 PolarHBondContact NE2-OD1 3.2Å
376L45.7Very low45.3Very low113 Ų113127 Ų12759%0.59271%0.706SS**  trans-92.9108173.2-71.1167.1000109L363 F365L363-L376 PolarHBondContact O-N 3.43Å; F365-L376 HydrophobicContact CB-CD1 4.49Å
377D50.2Low45.5Very low123 Ų123130.1 Ų130.166%0.65872%0.72SS**  trans-77.7136.8170-67.5-31.3000109.8Q375 L379Q375-D377 PolarHBondContact NE2-OD1 3.2Å; D377-L379 PolarHBondContact O-N 3.42Å
378P44.1Very low45.5Very low119 Ų119134.9 Ų134.977%0.77374%0.744SS**  trans-61.9129.2176.2-17.529.6000110.3E380P378-E380 PolarHBondContact O-N 3.23Å; P378-E380 VanDerWaalsContact O-N 3.08Å
379L43Very low45.4Very low174 Ų174135.1 Ų135.191%0.91174%0.736SS**  trans-61.4110.8169-80.6156.9000108.8D377 S381D377-L379 PolarHBondContact O-N 3.42Å; L379-S381 PolarHBondContact O-N 2.91Å
380E40.3Very low45.3Very low185 Ų185135.6 Ų135.686%0.86473%0.732SS**  trans-66.4122.2164.9-75.6-172.6157.200108.7P378 T382P378-E380 PolarHBondContact O-N 3.23Å; P378-E380 VanDerWaalsContact O-N 3.08Å; E380-T382 PolarHBondContact O-N 3.46Å
381S37.8Very low45.1Very low127 Ų127138.2 Ų138.289%0.88875%0.747SS**  trans-66.1115.8173.7-58.20000109.9L379L379-S381 PolarHBondContact O-N 2.91Å
382T39.3Very low44.6Very low209 Ų209133.6 Ų133.6100%1.28274%0.735SS**  trans-91.70157.852.20000111E380E380-T382 PolarHBondContact O-N 3.46Å

Retrieved 382 of 382 residues in 1077.3 ms (Link to these results)

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