A0A087Y9P1_POEFO Loading...

Dual specificity protein phosphatase

AlphaFold DB , UniProt , Accession A0A087Y9P1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 385 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
1M41.7Very low38Very low236 Ų236157.4 Ų157.4100%1.16381%0.814SS**  085.90-67.4177.6-178.400106.1
2L40.3Very low37.8Very low160 Ų160156.3 Ų156.384%0.83881%0.811SS**  cis37.890.149.2-95.2114.4000112.2
3D35Very low37.8Very low135 Ų135151.2 Ų151.272%0.72280%0.797SS**  -168.8109.2123.4-96.5-38.1000108.4
4K43.7Very low38Very low168 Ų168150.1 Ų150.173%0.7380%0.799SS**  62.492.3102.7-73.3-175.6-173.4164.60114.1
5L39.2Very low38.1Very low179 Ų179151.1 Ų151.194%0.93780%0.8SS**  trans-12493.2141.1-80.3164.3000107.2
6K38.8Very low38.9Very low172 Ų172145.1 Ų145.175%0.74878%0.778SS**  trans-62147.7165.2-77.6178.7173-177.50108.5V8K6-V8 PolarHBondContact O-N 2.98Å
7P33.3Very low41.1Very low115 Ų115139.1 Ų139.175%0.74775%0.746SS**  trans-61.7132.5163.126.9-29.9000108.5V9P7-V9 VanDerWaalsContact C-N 3.34Å; P7-V9 PolarHBondContact O-N 3.09Å
8V34.6Very low43.6Very low131 Ų131132.7 Ų132.779%0.79471%0.713SS**  trans-62.299169.2175.40000106.6K6 Q10K6-V8 PolarHBondContact O-N 2.98Å; V8-Q10 VanDerWaalsContact C-N 3.35Å; V8-Q10 PolarHBondContact O-N 3.48Å; V8-Q10 VanDerWaalsContact O-N 3.11Å
9V35Very low46.1Very low118 Ų118127.9 Ų127.972%0.71569%0.686SS**  trans-69102.8160.7179.10000104.8P7 L11P7-V9 VanDerWaalsContact C-N 3.34Å; P7-V9 PolarHBondContact O-N 3.09Å; V9-L11 VanDerWaalsContact C-N 3.26Å; V9-L11 HydrophobicContact CG1-CB 4.49Å; V9-L11 PolarHBondContact O-N 3.45Å
10Q34.4Very low48.5Very low169 Ų169124.8 Ų124.879%0.7967%0.671SS**  trans-70.990.9173-163.9155-2.300107.4V8V8-Q10 VanDerWaalsContact C-N 3.35Å; V8-Q10 PolarHBondContact O-N 3.48Å; V8-Q10 VanDerWaalsContact O-N 3.11Å
11L42.4Very low50.5Low148 Ų148119 Ų11978%0.77564%0.64SS**  trans-98.180.8176.6-170.479.7000107.8V9V9-L11 VanDerWaalsContact C-N 3.26Å; V9-L11 HydrophobicContact CG1-CB 4.49Å; V9-L11 PolarHBondContact O-N 3.45Å
12D35.1Very low52.9Low144 Ų144109 Ų10977%0.7760%0.598SS**  trans-11789.8163.4-82.4-34.5000109.3
13S38.4Very low55.5Low90 Ų90104.2 Ų104.263%0.62957%0.568SS**  trans9.998.3159.2-157.60000119.8M15S13-M15 PolarHBondContact OG-N 3.26Å; S13-M15 PolarHBondContact OG-O 3.22Å
14V39.5Very low58.3Low136 Ų13697.8 Ų97.882%0.82453%0.534SS*.  trans-89.131.3149.9-170.60000109.5
15M39.4Very low60.6Low165 Ų16593.1 Ų93.181%0.81351%0.512SS*.  trans-116.588.9179.2-72.5-145.4-82.800110.5S13S13-M15 PolarHBondContact OG-N 3.26Å; S13-M15 PolarHBondContact OG-O 3.22Å
16A52Low63.1Low55 Ų5588.7 Ų88.746%0.45549%0.486SS..  trans169.272.6141.300000108.3S18 F131A16-S18 PolarHBondContact O-N 3.13Å; A16-F131 VanDerWaalsContact O-CD1 3.26Å; A16-F131 WeakPolarHBondContact O-CD1 3.4Å; A16-F131 WeakPolarHBondContact O-CE1 3.39Å
17I75.7Confident65.5Low44 Ų4481.4 Ų81.423%0.22646%0.455CS..SBendtrans-77.4-8.5167.2-59.3-179.7000110.4L120 F131 Y132I17-L120 HydrophobicContact CG2-CD2 3.76Å; I17-F131 WeakPolarHBondContact O-CA 3.39Å; I17-Y132 HydrophobicContact CB-CE1 4.31Å; I17-Y132 HydrophobicContact CG2-CD1 3.95Å; I17-Y132 HydrophobicContact CG2-CE1 3.98Å; I17-Y132 VanDerWaalsContact O-CD1 3.23Å; I17-Y132 WeakPolarHBondContact O-CD1 3.48Å; I17-Y132 PolarHBondContact O-N 3.12Å; I17-Y132 VanDerWaalsContact O-N 3.12Å
18S86.3Confident68.2Low24 Ų2476.6 Ų76.617%0.16842%0.423CS..EExtended strand (participates in β ladder)trans-123.6160.3-168.861.50000112.4A16 Y132 E134A16-S18 PolarHBondContact O-N 3.13Å; S18-Y132 CarbonylContact C-O 3.39Å; S18-Y132 VanDerWaalsContact CA-O 3.29Å; S18-Y132 WeakPolarHBondContact CA-O 3.34Å; S18-E134 WeakPolarHBondContact CB-OE1 3.48Å; S18-E134 PolarHBondContact OG-OE1 3.11Å
19K91.5Very high70.8Confident42 Ų4275.4 Ų75.418%0.18341%0.409CS..EExtended strand (participates in β ladder)trans-126.8139.9166.6-65-61.1-172.4-177.20108.9W23 V97 F131 Y132 E134K19-W23 HydrophobicContact CB-CD2 4.18Å; K19-W23 HydrophobicContact CB-CE3 3.62Å; K19-W23 HydrophobicContact CB-CZ3 4.17Å; K19-W23 HydrophobicContact CD-CD2 3.62Å; K19-W23 HydrophobicContact CD-CE3 3.71Å; K19-W23 HydrophobicContact CD-CG 4.16Å; K19-W23 HydrophobicContact CD-CH2 4.2Å; K19-W23 HydrophobicContact CD-CZ2 4.12Å; K19-W23 HydrophobicContact CD-CZ3 4.03Å; K19-W23 HydrophobicContact CG-CD2 4.05Å; K19-W23 HydrophobicContact CG-CE3 3.59Å; K19-W23 HydrophobicContact CG-CH2 4.26Å; K19-W23 HydrophobicContact CG-CZ3 3.74Å; K19-V97 HydrophobicContact CG-CG2 4.37Å; K19-F131 HydrophobicContact CD-CD1 4.49Å; K19-F131 HydrophobicContact CD-CG 4.49Å; K19-F131 HydrophobicContact CG-CB 3.8Å; K19-F131 HydrophobicContact CG-CD1 4.42Å; K19-F131 HydrophobicContact CG-CG 4.04Å; K19-Y132 PolarHBondContact N-O 3.42Å; K19-E134 PolarHBondContact O-N 2.96Å
20T92.7Very high73.1Confident64 Ų6473 Ų7339%0.39340%0.395SS..  trans-73.6156174.664.30000110.5G22 W23 L24 E134T20-G22 PolarHBondContact O-N 3.37Å; T20-W23 WeakPolarHBondContact O-CB 3.36Å; T20-W23 PolarHBondContact O-N 2.88Å; T20-W23 VanDerWaalsContact O-N 3.14Å; T20-W23 WeakPolarHBondContact OG1-CB 3.3Å; T20-W23 PolarHBondContact OG1-N 3.31Å; T20-W23 VanDerWaalsContact OG1-N 3.15Å; T20-L24 PolarHBondContact O-N 3.19Å; T20-L24 VanDerWaalsContact O-N 3.11Å; T20-E134 WeakPolarHBondContact CG2-OE2 3.46Å
21V92.4Very high74.7Confident4 Ų474.6 Ų74.62%0.02439%0.393CS..Hα-helixtrans-56.8-37.8171.9-67.10000112.5W23 L24 R25 L133 E134 K139 F140 E143 F144V21-W23 PolarHBondContact O-N 3.39Å; V21-L24 PolarHBondContact O-N 3.44Å; V21-R25 WeakPolarHBondContact O-CB 3.43Å; V21-R25 PolarHBondContact O-N 3.48Å; V21-L133 HydrophobicContact CG1-CD1 4.14Å; V21-L133 HydrophobicContact CG1-CD2 4.44Å; V21-L133 HydrophobicContact CG1-CG 4.19Å; V21-E134 WeakPolarHBondContact CG1-O 3.47Å; V21-K139 HydrophobicContact CG1-CB 4.33Å; V21-K139 HydrophobicContact CG1-CD 4.23Å; V21-K139 HydrophobicContact CG1-CG 4.16Å; V21-K139 HydrophobicContact CG2-CD 4.26Å; V21-K139 HydrophobicContact CG2-CG 4.32Å; V21-F140 HydrophobicContact CB-CB 4.49Å; V21-F140 HydrophobicContact CB-CD2 3.88Å; V21-F140 HydrophobicContact CG1-CB 3.87Å; V21-F140 HydrophobicContact CG1-CD2 4.01Å; V21-F140 HydrophobicContact CG1-CG 4.46Å; V21-E143 WeakPolarHBondContact CG2-OE2 3.39Å; V21-F144 HydrophobicContact CB-CD2 4.38Å; V21-F144 HydrophobicContact CB-CE2 3.94Å; V21-F144 HydrophobicContact CG2-CE2 3.95Å
22G92.1Very high75.8Confident26 Ų2674.4 Ų74.427%0.26838%0.382SS..Hα-helixtrans-65.7-34.9176.600000113.6T20 E26T20-G22 PolarHBondContact O-N 3.37Å; G22-E26 PolarHBondContact O-N 2.91Å; G22-E26 VanDerWaalsContact O-N 3.16Å
23W93.5Very high77.3Confident59 Ų5975.4 Ų75.422%0.22339%0.388CS..Hα-helixtrans-67.3-44.7173.4-179.889.2000111.2K19 T20 V21 R25 E26 Q27 L35 T95 V97K19-W23 HydrophobicContact CB-CD2 4.18Å; K19-W23 HydrophobicContact CB-CE3 3.62Å; K19-W23 HydrophobicContact CB-CZ3 4.17Å; K19-W23 HydrophobicContact CD-CD2 3.62Å; K19-W23 HydrophobicContact CD-CE3 3.71Å; K19-W23 HydrophobicContact CD-CG 4.16Å; K19-W23 HydrophobicContact CD-CH2 4.2Å; K19-W23 HydrophobicContact CD-CZ2 4.12Å; K19-W23 HydrophobicContact CD-CZ3 4.03Å; K19-W23 HydrophobicContact CG-CD2 4.05Å; K19-W23 HydrophobicContact CG-CE3 3.59Å; K19-W23 HydrophobicContact CG-CH2 4.26Å; K19-W23 HydrophobicContact CG-CZ3 3.74Å; T20-W23 WeakPolarHBondContact O-CB 3.36Å; T20-W23 PolarHBondContact O-N 2.88Å; T20-W23 VanDerWaalsContact O-N 3.14Å; T20-W23 WeakPolarHBondContact OG1-CB 3.3Å; T20-W23 PolarHBondContact OG1-N 3.31Å; T20-W23 VanDerWaalsContact OG1-N 3.15Å; V21-W23 PolarHBondContact O-N 3.39Å; W23-R25 PolarHBondContact O-N 3.47Å; W23-E26 PolarHBondContact O-N 3.46Å; W23-Q27 HydrophobicContact CD2-CG 3.99Å; W23-Q27 HydrophobicContact CE3-CG 3.96Å; W23-Q27 HydrophobicContact CH2-CG 3.57Å; W23-Q27 HydrophobicContact CZ2-CG 3.58Å; W23-Q27 HydrophobicContact CZ3-CG 3.74Å; W23-Q27 WeakPolarHBondContact O-CG 3.19Å; W23-Q27 PolarHBondContact O-N 3.08Å; W23-Q27 VanDerWaalsContact O-N 3.09Å; W23-L35 HydrophobicContact CH2-CD1 4.28Å; W23-L35 HydrophobicContact CZ3-CD1 4.25Å; W23-T95 HydrophobicContact CH2-CG2 3.91Å; W23-V97 HydrophobicContact CH2-CG2 4.42Å; W23-V97 HydrophobicContact CZ3-CG2 3.75Å
24L93.1Very high79.4Confident0 Ų072.3 Ų72.30%037%0.369CS..Hα-helixtrans-61.7-45.4179178.159.5000111T20 V21 E26 Q27 L28 L35 V37 V51 V97 L133 F140T20-L24 PolarHBondContact O-N 3.19Å; T20-L24 VanDerWaalsContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 3.44Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.15Å; L24-Q27 PolarHBondContact O-N 2.81Å; L24-Q27 VanDerWaalsContact O-N 3.12Å; L24-L28 HydrophobicContact CD1-CD1 4.22Å; L24-L28 HydrophobicContact CD1-CG 4.24Å; L24-L28 HydrophobicContact CG-CD1 3.97Å; L24-L28 HydrophobicContact CG-CG 4.45Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 3.02Å; L24-L35 HydrophobicContact CD1-CD2 3.89Å; L24-V37 HydrophobicContact CD1-CG2 4Å; L24-V51 HydrophobicContact CD2-CG1 4.36Å; L24-V97 HydrophobicContact CD2-CG1 4.49Å; L24-L133 HydrophobicContact CB-CD1 3.85Å; L24-L133 HydrophobicContact CD2-CD1 3.64Å; L24-L133 HydrophobicContact CD2-CD2 3.62Å; L24-L133 HydrophobicContact CD2-CG 4.25Å; L24-L133 HydrophobicContact CG-CD1 4.39Å; L24-F140 HydrophobicContact CB-CD2 4.47Å; L24-F140 HydrophobicContact CB-CE2 3.99Å; L24-F140 HydrophobicContact CD2-CD2 3.91Å; L24-F140 HydrophobicContact CD2-CE2 3.75Å; L24-F140 HydrophobicContact CD2-CZ 4.36Å; L24-F140 HydrophobicContact CG-CD2 4.39Å; L24-F140 HydrophobicContact CG-CE2 3.8Å; L24-F140 HydrophobicContact CG-CZ 4.4Å
25R93.1Very high81.7Confident70 Ų7066.6 Ų66.626%0.26433%0.334SS..Hα-helixtrans-53-49.2173.6176.5-14768.194.74.8111.9V21 W23 Q27 L28 E29 F140 F144 L147V21-R25 WeakPolarHBondContact O-CB 3.43Å; V21-R25 PolarHBondContact O-N 3.48Å; W23-R25 PolarHBondContact O-N 3.47Å; R25-Q27 VanDerWaalsContact C-N 3.29Å; R25-Q27 PolarHBondContact O-N 3.32Å; R25-L28 PolarHBondContact O-N 3.33Å; R25-E29 HydrophobicContact CG-CG 4.46Å; R25-E29 WeakPolarHBondContact CG-OE1 3.47Å; R25-E29 IonicContact CZ-OE1 3.07Å; R25-E29 IonicContact CZ-OE2 3.11Å; R25-E29 IonicContact NE-OE1 3.35Å; R25-E29 IonicContact NH1-OE1 2.76Å; R25-E29 PolarHBondContact NH1-OE1 3.19Å; R25-E29 IonicContact NH1-OE2 3.93Å; R25-E29 PolarHBondContact NH1-OE2 3.04Å; R25-E29 IonicContact NH2-OE2 3.4Å; R25-E29 WeakPolarHBondContact O-CG 3.27Å; R25-E29 PolarHBondContact O-N 2.88Å; R25-F140 HydrophobicContact CB-CE2 4.37Å; R25-F144 HydrophobicContact CB-CD1 4.46Å; R25-F144 HydrophobicContact CB-CD2 4.02Å; R25-F144 HydrophobicContact CB-CE2 4.1Å; R25-F144 HydrophobicContact CB-CG 4.21Å; R25-F144 HydrophobicContact CB-CZ 4.39Å; R25-F144 HydrophobicContact CG-CD1 3.93Å; R25-F144 HydrophobicContact CG-CD2 4.36Å; R25-F144 HydrophobicContact CG-CE1 4.17Å; R25-F144 HydrophobicContact CG-CG 4.06Å; R25-F144 HydrophobicContact CG-CZ 4.46Å; R25-L147 HydrophobicContact CB-CD1 4.11Å; R25-L147 HydrophobicContact CG-CD1 3.58Å
26E91.1Very high84.1Confident86 Ų8658.9 Ų58.940%0.40230%0.296SS..Hα-helixtrans-60.6-39.2178.9-171-173.8171.500111.9G22 W23 L24 T30G22-E26 PolarHBondContact O-N 2.91Å; G22-E26 VanDerWaalsContact O-N 3.16Å; W23-E26 PolarHBondContact O-N 3.46Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 3.15Å; E26-T30 WeakPolarHBondContact O-CB 3.37Å; E26-T30 VanDerWaalsContact O-CG2 3.29Å; E26-T30 WeakPolarHBondContact O-CG2 3.46Å; E26-T30 PolarHBondContact O-N 3.27Å; E26-T30 PolarHBondContact O-OG1 3.19Å
27Q90.9Very high86Confident20 Ų2056.4 Ų56.49%0.09328%0.275CS..Hα-helixtrans-68.8-37.7177.3-62.9-46.8-75.900112.9W23 L24 R25 T30 R31 R32 L35W23-Q27 HydrophobicContact CD2-CG 3.99Å; W23-Q27 HydrophobicContact CE3-CG 3.96Å; W23-Q27 HydrophobicContact CH2-CG 3.57Å; W23-Q27 HydrophobicContact CZ2-CG 3.58Å; W23-Q27 HydrophobicContact CZ3-CG 3.74Å; W23-Q27 WeakPolarHBondContact O-CG 3.19Å; W23-Q27 PolarHBondContact O-N 3.08Å; W23-Q27 VanDerWaalsContact O-N 3.09Å; L24-Q27 PolarHBondContact O-N 2.81Å; L24-Q27 VanDerWaalsContact O-N 3.12Å; R25-Q27 VanDerWaalsContact C-N 3.29Å; R25-Q27 PolarHBondContact O-N 3.32Å; Q27-T30 PolarHBondContact O-OG1 3.18Å; Q27-R31 PolarHBondContact O-N 2.82Å; Q27-R32 VanDerWaalsContact OE1-CD 3.31Å; Q27-L35 HydrophobicContact CB-CD2 3.8Å
28L89.6Confident86.7Confident14 Ų1454.3 Ų54.37%0.07327%0.265CS..Hα-helixtrans-67.3-47176.9-69.4168.3000111.4L24 R25 T30 R31 L35 V37 V51 F140 L147L24-L28 HydrophobicContact CD1-CD1 4.22Å; L24-L28 HydrophobicContact CD1-CG 4.24Å; L24-L28 HydrophobicContact CG-CD1 3.97Å; L24-L28 HydrophobicContact CG-CG 4.45Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 3.02Å; R25-L28 PolarHBondContact O-N 3.33Å; L28-T30 VanDerWaalsContact C-N 3.35Å; L28-T30 PolarHBondContact O-N 3.32Å; L28-R31 PolarHBondContact O-N 2.97Å; L28-R31 VanDerWaalsContact O-N 3.13Å; L28-L35 HydrophobicContact CD2-CD2 4.04Å; L28-L35 HydrophobicContact CG-CD2 4.36Å; L28-V37 HydrophobicContact CD2-CG2 4.39Å; L28-V51 HydrophobicContact CD1-CG1 3.56Å; L28-F140 HydrophobicContact CD1-CE2 4.42Å; L28-F140 HydrophobicContact CD1-CZ 3.72Å; L28-L147 HydrophobicContact CB-CD1 4.46Å; L28-L147 HydrophobicContact CD1-CD1 4.49Å
29E87.6Confident86.9Confident106 Ų10653.1 Ų53.150%0.49526%0.257SS..Hα-helixtrans-64-38.4178.8-74.1175.2-17400112.8R25 R31 L147R25-E29 HydrophobicContact CG-CG 4.46Å; R25-E29 WeakPolarHBondContact CG-OE1 3.47Å; R25-E29 IonicContact CZ-OE1 3.07Å; R25-E29 IonicContact CZ-OE2 3.11Å; R25-E29 IonicContact NE-OE1 3.35Å; R25-E29 IonicContact NH1-OE1 2.76Å; R25-E29 PolarHBondContact NH1-OE1 3.19Å; R25-E29 IonicContact NH1-OE2 3.93Å; R25-E29 PolarHBondContact NH1-OE2 3.04Å; R25-E29 IonicContact NH2-OE2 3.4Å; R25-E29 WeakPolarHBondContact O-CG 3.27Å; R25-E29 PolarHBondContact O-N 2.88Å; E29-R31 PolarHBondContact O-N 3.02Å; E29-L147 HydrophobicContact CG-CD1 4.35Å
30T83.7Confident86.7Confident68 Ų6851.8 Ų51.842%0.41725%0.252SS..THydrogen-bonded Turntrans-76.8-3.9178.953.90000113.2E26 Q27 L28 R32E26-T30 WeakPolarHBondContact O-CB 3.37Å; E26-T30 VanDerWaalsContact O-CG2 3.29Å; E26-T30 WeakPolarHBondContact O-CG2 3.46Å; E26-T30 PolarHBondContact O-N 3.27Å; E26-T30 PolarHBondContact O-OG1 3.19Å; Q27-T30 PolarHBondContact O-OG1 3.18Å; L28-T30 VanDerWaalsContact C-N 3.35Å; L28-T30 PolarHBondContact O-N 3.32Å; T30-R32 PolarHBondContact O-N 3.27Å; T30-R32 VanDerWaalsContact O-N 3.08Å
31R69.3Low86.4Confident202 Ų20249.4 Ų49.476%0.76224%0.236SC*.THydrogen-bonded Turntrans42.243.8-177.9-67-170.2172.9-158.1-5.2112.4Q27 L28 E29 D33Q27-R31 PolarHBondContact O-N 2.82Å; L28-R31 PolarHBondContact O-N 2.97Å; L28-R31 VanDerWaalsContact O-N 3.13Å; E29-R31 PolarHBondContact O-N 3.02Å; R31-D33 PolarHBondContact O-N 2.99Å
32R64.1Low85.9Confident143 Ų14351.7 Ų51.754%0.5426%0.255SS..  trans-68.2122.2-178.9-81.6178.1174.2178.13.4109.8Q27 T30 G34Q27-R32 VanDerWaalsContact OE1-CD 3.31Å; T30-R32 PolarHBondContact O-N 3.27Å; T30-R32 VanDerWaalsContact O-N 3.08Å; R32-G34 PolarHBondContact O-N 3.34Å; R32-G34 VanDerWaalsContact O-N 3.16Å
33D66.5Low85.4Confident166 Ų16655.1 Ų55.189%0.88826%0.264SS*.THydrogen-bonded Turntrans-55.2119.3161.8-67.3-37.2000107.8R31R31-D33 PolarHBondContact O-N 2.99Å
34G82.4Confident84.9Confident24 Ų2458.3 Ų58.325%0.24728%0.282CS..THydrogen-bonded Turntrans126.79.9-176.800000116.8R32 D94 T95R32-G34 PolarHBondContact O-N 3.34Å; R32-G34 VanDerWaalsContact O-N 3.16Å; G34-D94 VanDerWaalsContact C-CG 3.5Å; G34-D94 VanDerWaalsContact C-OD2 3.28Å; G34-D94 WeakPolarHBondContact CA-OD2 3.32Å; G34-D94 CarbonylContact O-C 3.59Å; G34-D94 VanDerWaalsContact O-CA 3.32Å; G34-D94 WeakPolarHBondContact O-CA 3.22Å; G34-D94 WeakPolarHBondContact O-CB 3.49Å; G34-T95 PolarHBondContact O-N 2.6Å
35L89Confident84.5Confident16 Ų1662 Ų628%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-116.9128.8174.7-179.771.1000111.8W23 L24 Q27 L28 V37 R90 D94 V97W23-L35 HydrophobicContact CH2-CD1 4.28Å; W23-L35 HydrophobicContact CZ3-CD1 4.25Å; L24-L35 HydrophobicContact CD1-CD2 3.89Å; Q27-L35 HydrophobicContact CB-CD2 3.8Å; L28-L35 HydrophobicContact CD2-CD2 4.04Å; L28-L35 HydrophobicContact CG-CD2 4.36Å; L35-V37 HydrophobicContact CD1-CG2 4.45Å; L35-V37 HydrophobicContact CD2-CG2 3.79Å; L35-V37 HydrophobicContact CG-CG2 3.93Å; L35-R90 PolarHBondContact O-NH2 3.18Å; L35-D94 PolarHBondContact N-OD2 3.2Å; L35-V97 HydrophobicContact CD1-CG2 3.92Å
36L89.6Confident84.2Confident4 Ų460.7 Ų60.72%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-114.8126.4166.2-74.6172000109.3I55 F87 R90 C91 D94 T95 I96 V97L36-I55 HydrophobicContact CD2-CD1 4.29Å; L36-F87 HydrophobicContact CD1-CD2 4.09Å; L36-R90 HydrophobicContact CD1-CB 3.8Å; L36-R90 HydrophobicContact CD2-CB 4.17Å; L36-R90 HydrophobicContact CG-CB 4.12Å; L36-C91 HydrophobicContact CD1-CB 4.42Å; L36-D94 HydrophobicContact CD1-CB 4.2Å; L36-D94 HydrophobicContact CG-CB 4.09Å; L36-T95 PolarHBondContact N-O 3Å; L36-I96 HydrophobicContact CB-CG1 4.26Å; L36-I96 HydrophobicContact CD1-CG1 4.23Å; L36-I96 CarbonylContact O-C 3.6Å; L36-I96 WeakPolarHBondContact O-CA 3.23Å; L36-V97 PolarHBondContact O-N 2.98Å
37V91.9Very high84Confident2 Ų260.8 Ų60.81%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-107.9132.5177-176.30000108.5L24 L28 L35 V51 A54 I55 V97 Y99L24-V37 HydrophobicContact CD1-CG2 4Å; L28-V37 HydrophobicContact CD2-CG2 4.39Å; L35-V37 HydrophobicContact CD1-CG2 4.45Å; L35-V37 HydrophobicContact CD2-CG2 3.79Å; L35-V37 HydrophobicContact CG-CG2 3.93Å; V37-V51 HydrophobicContact CG1-CB 4.32Å; V37-V51 HydrophobicContact CG1-CG1 4.29Å; V37-A54 HydrophobicContact CB-CB 4.18Å; V37-A54 HydrophobicContact CG1-CB 3.72Å; V37-A54 WeakPolarHBondContact O-CA 3.5Å; V37-I55 PolarHBondContact O-N 3.33Å; V37-V97 CarbonylContact C-O 3.59Å; V37-V97 WeakPolarHBondContact CA-O 3.36Å; V37-Y99 HydrophobicContact CG1-CD1 3.99Å; V37-Y99 HydrophobicContact CG1-CE1 3.54Å
38M90.9Very high83.7Confident0 Ų063.1 Ų63.10%032%0.315CS..EExtended strand (participates in β ladder)trans-127.8118.6-176-63.8-175.981.600111I55 V57 L78 F87 I96 V97 L98 Y99 M123M38-I55 WeakPolarHBondContact CA-O 3.35Å; M38-V57 HydrophobicContact CB-CG2 3.8Å; M38-V57 HydrophobicContact CE-CG1 4.46Å; M38-V57 HydrophobicContact CE-CG2 3.31Å; M38-V57 HydrophobicContact CG-CG2 4.27Å; M38-V57 HydrophobicContact SD-CG2 4.47Å; M38-L78 HydrophobicContact CE-CD2 3.93Å; M38-F87 HydrophobicContact CE-CD2 4.04Å; M38-F87 HydrophobicContact CE-CE2 3.8Å; M38-F87 HydrophobicContact SD-CD2 4.12Å; M38-F87 HydrophobicContact SD-CE2 3.7Å; M38-I96 HydrophobicContact CG-CG2 4.09Å; M38-I96 HydrophobicContact SD-CG2 3.51Å; M38-I96 VanDerWaalsContact SD-CG2 3.51Å; M38-V97 PolarHBondContact N-O 2.72Å; M38-L98 HydrophobicContact CB-CD2 4.38Å; M38-L98 HydrophobicContact CB-CG 4.22Å; M38-L98 WeakPolarHBondContact O-CA 3.27Å; M38-L98 HydrophobicContact SD-CD2 4.49Å; M38-Y99 PolarHBondContact O-N 3.33Å; M38-M123 HydrophobicContact CE-CE 3.63Å; M38-M123 HydrophobicContact SD-CE 3.36Å; M38-M123 WeakPolarHBondContact SD-CE 3.36Å; M38-M123 HydrophobicContact SD-SD 4.42Å
39D90.4Very high83.7Confident0 Ų062.7 Ų62.70%031%0.314CS..EExtended strand (participates in β ladder)trans-87.3115.3175.5-167.1-26.2000109.7R41 Y46 A54 I55 V57 Y99D39-R41 WeakPolarHBondContact OD1-CA 3.4Å; D39-R41 WeakPolarHBondContact OD1-CB 3.4Å; D39-R41 WeakPolarHBondContact OD1-CG 3.36Å; D39-R41 PolarHBondContact OD1-N 3.36Å; D39-R41 IonicContact OD1-NE 3.49Å; D39-R41 PolarHBondContact OD1-NE 3.28Å; D39-R41 VanDerWaalsContact OD1-NE 3.11Å; D39-R41 IonicContact OD2-CZ 3.81Å; D39-R41 IonicContact OD2-NE 2.84Å; D39-R41 PolarHBondContact OD2-NE 3.13Å; D39-R41 IonicContact OD2-NH2 2.79Å; D39-R41 PolarHBondContact OD2-NH2 2.9Å; D39-Y46 HydrophobicContact CB-CD2 3.68Å; D39-Y46 HydrophobicContact CB-CE2 4.24Å; D39-Y46 WeakPolarHBondContact OD2-CD2 3.47Å; D39-A54 HydrophobicContact CB-CB 4.44Å; D39-I55 PolarHBondContact N-O 3.34Å; D39-V57 PolarHBondContact O-N 3.19Å; D39-Y99 HydrophobicContact CB-CE1 4.23Å; D39-Y99 HydrophobicContact CB-CE2 3.85Å; D39-Y99 WeakPolarHBondContact CB-OH 3.35Å; D39-Y99 WeakPolarHBondContact OD2-CE2 3.48Å; D39-Y99 PolarHBondContact OD2-OH 3.5Å; D39-Y99 VanDerWaalsContact OD2-OH 3.1Å
40C87.5Confident84Confident13 Ų1358.5 Ų58.59%0.08829%0.294CS..  trans-93.35.6179.7-55.70000113.2Y99 V115C40-Y99 VanDerWaalsContact CB-O 3.24Å; C40-Y99 WeakPolarHBondContact CB-O 3.15Å; C40-Y99 PolarHBondContact N-O 3.16Å; C40-V115 HydrophobicContact CB-CG1 4.39Å
41R86.2Confident84.4Confident15 Ų1555.3 Ų55.36%0.05727%0.274CS..SBendtrans-79168179.3-57.8179.9-65.2158.82111.2D39 L45 S49 N56 E101 F137D39-R41 WeakPolarHBondContact OD1-CA 3.4Å; D39-R41 WeakPolarHBondContact OD1-CB 3.4Å; D39-R41 WeakPolarHBondContact OD1-CG 3.36Å; D39-R41 PolarHBondContact OD1-N 3.36Å; D39-R41 IonicContact OD1-NE 3.49Å; D39-R41 PolarHBondContact OD1-NE 3.28Å; D39-R41 VanDerWaalsContact OD1-NE 3.11Å; D39-R41 IonicContact OD2-CZ 3.81Å; D39-R41 IonicContact OD2-NE 2.84Å; D39-R41 PolarHBondContact OD2-NE 3.13Å; D39-R41 IonicContact OD2-NH2 2.79Å; D39-R41 PolarHBondContact OD2-NH2 2.9Å; R41-L45 HydrophobicContact CB-CB 4.12Å; R41-L45 HydrophobicContact CB-CD1 4.19Å; R41-S49 PolarHBondContact NH2-O 2.84Å; R41-N56 PolarHBondContact O-ND2 3.48Å; R41-E101 WeakPolarHBondContact CD-OE2 3.12Å; R41-E101 HydrophobicContact CG-CB 4.41Å; R41-E101 IonicContact CZ-OE2 3.52Å; R41-E101 IonicContact NE-OE2 3.15Å; R41-E101 IonicContact NH1-OE2 3.45Å; R41-E101 PolarHBondContact NH1-OE2 2.99Å; R41-F137 VanDerWaalsContact CZ-CD1 3.5Å; R41-F137 VanDerWaalsContact CZ-CG 3.47Å
42A82.2Confident85.4Confident51 Ų5148.5 Ų48.542%0.42125%0.251SS..  trans-60.2147.8174.100000110.5E44 L45 Y46A42-E44 VanDerWaalsContact CB-OE2 3.24Å; A42-E44 WeakPolarHBondContact CB-OE2 3.36Å; A42-E44 PolarHBondContact O-N 3.15Å; A42-E44 VanDerWaalsContact O-N 3.14Å; A42-L45 WeakPolarHBondContact O-CB 3.39Å; A42-L45 PolarHBondContact O-N 2.89Å; A42-Y46 PolarHBondContact O-N 3.26Å; A42-Y46 VanDerWaalsContact O-N 3.16Å
43Q81.7Confident86.4Confident99 Ų9945.8 Ų45.846%0.46325%0.251SS..Hα-helixtrans-55.6-35.7-174.4-179.4172.1-10.500111.9L45 Y46 E47Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.4Å; Q43-Y46 PolarHBondContact O-N 2.97Å; Q43-E47 HydrophobicContact CG-CG 4.25Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.4Å; Q43-E47 PolarHBondContact NE2-OE1 3.06Å; Q43-E47 WeakPolarHBondContact O-CB 3.43Å; Q43-E47 WeakPolarHBondContact O-CG 3.14Å; Q43-E47 PolarHBondContact O-N 2.97Å
44E82.2Confident87.5Confident126 Ų12638 Ų3859%0.58921%0.209SC*.Hα-helixtrans-66.1-34.7-180-52.283177.600112.4A42 S48A42-E44 VanDerWaalsContact CB-OE2 3.24Å; A42-E44 WeakPolarHBondContact CB-OE2 3.36Å; A42-E44 PolarHBondContact O-N 3.15Å; A42-E44 VanDerWaalsContact O-N 3.14Å; E44-S48 WeakPolarHBondContact O-CB 3.26Å; E44-S48 PolarHBondContact O-N 3.1Å; E44-S48 VanDerWaalsContact O-N 3.11Å
45L83.8Confident87.8Confident76 Ų7637.2 Ų37.240%0.39820%0.199SC..Hα-helixtrans-72.7-42.5176.5-68174.6000110.7R41 A42 Q43 S48 S49R41-L45 HydrophobicContact CB-CB 4.12Å; R41-L45 HydrophobicContact CB-CD1 4.19Å; A42-L45 WeakPolarHBondContact O-CB 3.39Å; A42-L45 PolarHBondContact O-N 2.89Å; Q43-L45 VanDerWaalsContact C-N 3.32Å; Q43-L45 PolarHBondContact O-N 3.4Å; L45-S48 PolarHBondContact O-N 3.4Å; L45-S48 PolarHBondContact O-OG 3.27Å; L45-S49 PolarHBondContact O-N 3.2Å; L45-S49 VanDerWaalsContact O-N 3.15Å
46Y87.6Confident87.7Confident43 Ų4337.3 Ų37.317%0.16920%0.2CC..Hα-helixtrans-59-49.8174.6172.7-92.3000111.7D39 A42 Q43 S48 S49 H50 A54 N56D39-Y46 HydrophobicContact CB-CD2 3.68Å; D39-Y46 HydrophobicContact CB-CE2 4.24Å; D39-Y46 WeakPolarHBondContact OD2-CD2 3.47Å; A42-Y46 PolarHBondContact O-N 3.26Å; A42-Y46 VanDerWaalsContact O-N 3.16Å; Q43-Y46 PolarHBondContact O-N 2.97Å; Y46-S48 VanDerWaalsContact C-N 3.26Å; Y46-S48 PolarHBondContact O-N 3.37Å; Y46-S49 CarbonylContact O-C 3.57Å; Y46-S49 PolarHBondContact O-N 3.38Å; Y46-H50 HydrophobicContact CD2-CB 3.45Å; Y46-H50 VanDerWaalsContact CD2-CB 3.45Å; Y46-H50 AromaticContact CD2-CG 3.57Å; Y46-H50 AromaticContact CD2-ND1 3.98Å; Y46-H50 HydrophobicContact CE2-CB 3.7Å; Y46-H50 AromaticContact CE2-CD2 3.39Å; Y46-H50 WeakPolarHBondContact CE2-CD2 3.31Å; Y46-H50 AromaticContact CE2-CG 3.38Å; Y46-H50 AromaticContact CE2-ND1 3.85Å; Y46-H50 AromaticContact CE2-NE2 3.88Å; Y46-H50 HydrophobicContact CG-CB 4.21Å; Y46-H50 AromaticContact CZ-CD2 3.67Å; Y46-H50 AromaticContact CZ-CE1 3.78Å; Y46-H50 AromaticContact CZ-CG 3.83Å; Y46-H50 AromaticContact CZ-ND1 3.88Å; Y46-H50 AromaticContact CZ-NE2 3.63Å; Y46-H50 PolarHBondContact O-ND1 2.75Å; Y46-H50 PolarHBondContact OH-NE2 2.62Å; Y46-A54 HydrophobicContact CE2-CB 4.39Å; Y46-A54 WeakPolarHBondContact CE2-O 3.5Å; Y46-A54 PolarHBondContact OH-O 2.91Å; Y46-N56 WeakPolarHBondContact CB-ND2 3.45Å; Y46-N56 HydrophobicContact CD1-CB 3.75Å; Y46-N56 HydrophobicContact CD2-CB 3.67Å; Y46-N56 HydrophobicContact CE1-CB 3.91Å; Y46-N56 HydrophobicContact CE2-CB 3.8Å; Y46-N56 HydrophobicContact CG-CB 3.63Å
47E86.1Confident87.2Confident89 Ų8937.2 Ų37.242%0.41620%0.199SC..Hα-helixtrans-60.4-37.3177.9-73.6174.6-177.800111.5Q43 N151Q43-E47 HydrophobicContact CG-CG 4.25Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.4Å; Q43-E47 PolarHBondContact NE2-OE1 3.06Å; Q43-E47 WeakPolarHBondContact O-CB 3.43Å; Q43-E47 WeakPolarHBondContact O-CG 3.14Å; Q43-E47 PolarHBondContact O-N 2.97Å; E47-N151 PolarHBondContact O-ND2 3.06Å
48S86.1Confident85.9Confident68 Ų6838.4 Ų38.448%0.47621%0.209SC..Hα-helixtrans-64.5-45.7178.375.20000113E44 L45 Y46E44-S48 WeakPolarHBondContact O-CB 3.26Å; E44-S48 PolarHBondContact O-N 3.1Å; E44-S48 VanDerWaalsContact O-N 3.11Å; L45-S48 PolarHBondContact O-N 3.4Å; L45-S48 PolarHBondContact O-OG 3.27Å; Y46-S48 VanDerWaalsContact C-N 3.26Å; Y46-S48 PolarHBondContact O-N 3.37Å
49S89.6Confident84.7Confident6 Ų639.5 Ų39.54%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-170.3141.5173.7-175.80000110.1R41 L45 Y46 F137 Q141 E149R41-S49 PolarHBondContact NH2-O 2.84Å; L45-S49 PolarHBondContact O-N 3.2Å; L45-S49 VanDerWaalsContact O-N 3.15Å; Y46-S49 CarbonylContact O-C 3.57Å; Y46-S49 PolarHBondContact O-N 3.38Å; S49-F137 WeakPolarHBondContact O-CZ 3.4Å; S49-Q141 PolarHBondContact OG-NE2 3.04Å; S49-E149 CarbonylContact C-O 3.51Å; S49-E149 WeakPolarHBondContact CA-O 3.46Å; S49-E149 WeakPolarHBondContact CB-O 3.12Å; S49-E149 PolarHBondContact OG-O 2.78Å
50H93.2Very high83.4Confident18 Ų1842.7 Ų42.78%0.08324%0.236CC..EExtended strand (participates in β ladder)trans-147.5165.4178.355.5-82.7000110.6Y46 F137 C148 E149Y46-H50 HydrophobicContact CD2-CB 3.45Å; Y46-H50 VanDerWaalsContact CD2-CB 3.45Å; Y46-H50 AromaticContact CD2-CG 3.57Å; Y46-H50 AromaticContact CD2-ND1 3.98Å; Y46-H50 HydrophobicContact CE2-CB 3.7Å; Y46-H50 AromaticContact CE2-CD2 3.39Å; Y46-H50 WeakPolarHBondContact CE2-CD2 3.31Å; Y46-H50 AromaticContact CE2-CG 3.38Å; Y46-H50 AromaticContact CE2-ND1 3.85Å; Y46-H50 AromaticContact CE2-NE2 3.88Å; Y46-H50 HydrophobicContact CG-CB 4.21Å; Y46-H50 AromaticContact CZ-CD2 3.67Å; Y46-H50 AromaticContact CZ-CE1 3.78Å; Y46-H50 AromaticContact CZ-CG 3.83Å; Y46-H50 AromaticContact CZ-ND1 3.88Å; Y46-H50 AromaticContact CZ-NE2 3.63Å; Y46-H50 PolarHBondContact O-ND1 2.75Å; Y46-H50 PolarHBondContact OH-NE2 2.62Å; H50-F137 VanDerWaalsContact CA-CE2 3.49Å; H50-C148 CarbonylContact O-C 3.47Å; H50-C148 WeakPolarHBondContact O-CA 3.4Å; H50-E149 IonicContact CE1-OE2 2.76Å; H50-E149 PolarHBondContact N-O 3.12Å; H50-E149 IonicContact NE2-OE2 2.71Å; H50-E149 PolarHBondContact NE2-OE2 2.94Å; H50-E149 PolarHBondContact O-N 2.65Å
51V92.6Very high82Confident0 Ų044.2 Ų44.20%025%0.247CC..EExtended strand (participates in β ladder)trans-63.7138.5174.3-179.70000109.3L24 L28 V37 T53 A54 Y99 F137 F140L24-V51 HydrophobicContact CD2-CG1 4.36Å; L28-V51 HydrophobicContact CD1-CG1 3.56Å; V37-V51 HydrophobicContact CG1-CB 4.32Å; V37-V51 HydrophobicContact CG1-CG1 4.29Å; V51-T53 PolarHBondContact O-N 2.95Å; V51-A54 HydrophobicContact CB-CB 4.3Å; V51-A54 WeakPolarHBondContact O-CB 3.48Å; V51-A54 PolarHBondContact O-N 3.09Å; V51-Y99 HydrophobicContact CB-CE1 3.96Å; V51-Y99 HydrophobicContact CG2-CD1 4.4Å; V51-Y99 HydrophobicContact CG2-CE1 3.67Å; V51-Y99 HydrophobicContact CG2-CE2 4.45Å; V51-Y99 PolarHBondContact N-OH 3.38Å; V51-F137 HydrophobicContact CG2-CD2 3.92Å; V51-F137 HydrophobicContact CG2-CE2 4.09Å; V51-F140 HydrophobicContact CB-CE1 4.4Å; V51-F140 HydrophobicContact CG1-CD1 4.46Å; V51-F140 HydrophobicContact CG1-CE1 3.86Å; V51-F140 HydrophobicContact CG1-CZ 4.11Å; V51-F140 HydrophobicContact CG2-CD1 3.64Å; V51-F140 HydrophobicContact CG2-CE1 3.88Å; V51-F140 HydrophobicContact CG2-CG 4.21Å
52E88.8Confident80.4Confident59 Ų5950 Ų5028%0.27628%0.278SS..THydrogen-bonded Turntrans-48.1135.9177.9-164.9-169.4-178.500111.2A54 L147 E149E52-A54 PolarHBondContact O-N 3.34Å; E52-A54 VanDerWaalsContact O-N 3.16Å; E52-L147 PolarHBondContact N-O 2.86Å; E52-E149 WeakPolarHBondContact CA-OE1 3.45Å; E52-E149 HydrophobicContact CB-CG 4.49Å; E52-E149 HydrophobicContact CG-CG 4.38Å; E52-E149 WeakPolarHBondContact CG-OE1 3.46Å
53T85.6Confident79.4Confident87 Ų8749.5 Ų49.553%0.53427%0.267SS..THydrogen-bonded Turntrans64.37.1-178.876.30000116.4V51 E149V51-T53 PolarHBondContact O-N 2.95Å; T53-E149 PolarHBondContact N-OE1 2.79Å; T53-E149 VanDerWaalsContact N-OE1 3.11Å
54A90.4Very high78.5Confident3 Ų346.5 Ų46.53%0.02526%0.255CS..PPolyproline II helixtrans-68.3138.8178.600000111.6V37 D39 Y46 V51 E52 Y99V37-A54 HydrophobicContact CB-CB 4.18Å; V37-A54 HydrophobicContact CG1-CB 3.72Å; V37-A54 WeakPolarHBondContact O-CA 3.5Å; D39-A54 HydrophobicContact CB-CB 4.44Å; Y46-A54 HydrophobicContact CE2-CB 4.39Å; Y46-A54 WeakPolarHBondContact CE2-O 3.5Å; Y46-A54 PolarHBondContact OH-O 2.91Å; V51-A54 HydrophobicContact CB-CB 4.3Å; V51-A54 WeakPolarHBondContact O-CB 3.48Å; V51-A54 PolarHBondContact O-N 3.09Å; E52-A54 PolarHBondContact O-N 3.34Å; E52-A54 VanDerWaalsContact O-N 3.16Å; A54-Y99 HydrophobicContact CB-CE1 4.1Å; A54-Y99 WeakPolarHBondContact CB-OH 3.41Å
55I88.3Confident77.5Confident7 Ų749.2 Ų49.24%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-94.3125.3173.1-62.2169.4000108.4L36 V37 M38 D39 V57 L78 D83L36-I55 HydrophobicContact CD2-CD1 4.29Å; V37-I55 PolarHBondContact O-N 3.33Å; M38-I55 WeakPolarHBondContact CA-O 3.35Å; D39-I55 PolarHBondContact N-O 3.34Å; I55-V57 PolarHBondContact O-N 2.84Å; I55-L78 HydrophobicContact CG2-CD2 3.87Å; I55-D83 HydrophobicContact CD1-CB 4.46Å; I55-D83 HydrophobicContact CG1-CB 4.3Å; I55-D83 HydrophobicContact CG2-CB 3.84Å
56N87.8Confident76.4Confident17 Ų1752.2 Ų52.29%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-71.6125.1173.4-173.4-113.8000111.3R41 Y46 A58R41-N56 PolarHBondContact O-ND2 3.48Å; Y46-N56 WeakPolarHBondContact CB-ND2 3.45Å; Y46-N56 HydrophobicContact CD1-CB 3.75Å; Y46-N56 HydrophobicContact CD2-CB 3.67Å; Y46-N56 HydrophobicContact CE1-CB 3.91Å; Y46-N56 HydrophobicContact CE2-CB 3.8Å; Y46-N56 HydrophobicContact CG-CB 3.63Å; N56-A58 PolarHBondContact O-N 3.48Å; N56-A58 WeakPolarHBondContact OD1-CB 3.4Å; N56-A58 PolarHBondContact OD1-N 3.27Å
57V78.8Confident75.3Confident2 Ų250.5 Ų50.51%0.01226%0.259CS..  trans-100.770.1174.2-163.10000107.4M38 D39 I55 I59 L77 L78 L119M38-V57 HydrophobicContact CB-CG2 3.8Å; M38-V57 HydrophobicContact CE-CG1 4.46Å; M38-V57 HydrophobicContact CE-CG2 3.31Å; M38-V57 HydrophobicContact CG-CG2 4.27Å; M38-V57 HydrophobicContact SD-CG2 4.47Å; D39-V57 PolarHBondContact O-N 3.19Å; I55-V57 PolarHBondContact O-N 2.84Å; V57-I59 HydrophobicContact CG1-CD1 4.06Å; V57-I59 HydrophobicContact CG1-CG1 3.8Å; V57-I59 WeakPolarHBondContact O-CG1 3.35Å; V57-I59 PolarHBondContact O-N 3.24Å; V57-L77 HydrophobicContact CG1-CB 4.01Å; V57-L78 HydrophobicContact CG1-CD2 4.39Å; V57-L78 HydrophobicContact CG2-CD2 4.23Å; V57-L119 HydrophobicContact CB-CD2 4.47Å; V57-L119 HydrophobicContact CG1-CD2 3.92Å; V57-L119 HydrophobicContact CG2-CD2 4.45Å
58A63.7Low74.3Confident27 Ų2753 Ų5322%0.22327%0.269CS..  trans-62.8101.5171.500000108.4N56 P60N56-A58 PolarHBondContact O-N 3.48Å; N56-A58 WeakPolarHBondContact OD1-CB 3.4Å; N56-A58 PolarHBondContact OD1-N 3.27Å; A58-P60 WeakPolarHBondContact O-CD 3.4Å
59I66Low73.2Confident23 Ų2357.8 Ų57.812%0.11828%0.281CS..  trans-98.6105.2173.2-49.2-168.9000108.5V57 S61 M63 L64 L67 L77 V115V57-I59 HydrophobicContact CG1-CD1 4.06Å; V57-I59 HydrophobicContact CG1-CG1 3.8Å; V57-I59 WeakPolarHBondContact O-CG1 3.35Å; V57-I59 PolarHBondContact O-N 3.24Å; I59-S61 PolarHBondContact O-N 2.75Å; I59-M63 HydrophobicContact CG2-CB 3.81Å; I59-L64 HydrophobicContact CB-CD2 4.09Å; I59-L64 HydrophobicContact CD1-CD2 4.34Å; I59-L64 HydrophobicContact CG2-CD2 3.6Å; I59-L64 HydrophobicContact CG2-CG 3.86Å; I59-L67 HydrophobicContact CD1-CD2 4.41Å; I59-L77 HydrophobicContact CD1-CD1 3.94Å; I59-L77 HydrophobicContact CD1-CD2 3.99Å; I59-L77 HydrophobicContact CD1-CG 4.41Å; I59-L77 HydrophobicContact CG1-CD2 4.18Å; I59-L77 HydrophobicContact CG2-CD2 3.98Å; I59-V115 HydrophobicContact CD1-CG1 3.69Å; I59-V115 HydrophobicContact CG1-CG1 4.17Å
60P63.3Low71.9Confident68 Ų6859.2 Ų59.244%0.44230%0.297SS..  trans-52.6141.2169.2-25.432.8000110.6A58 L62 M63 L64A58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-L62 PolarHBondContact O-N 3.29Å; P60-M63 HydrophobicContact CB-CG 4.36Å; P60-M63 HydrophobicContact CB-SD 4.48Å; P60-M63 HydrophobicContact CG-CG 4.47Å; P60-M63 HydrophobicContact CG-SD 3.97Å; P60-M63 WeakPolarHBondContact O-CA 3.22Å; P60-M63 WeakPolarHBondContact O-CB 3.37Å; P60-M63 PolarHBondContact O-N 2.99Å; P60-L64 PolarHBondContact O-N 3.04Å
61S57.3Low70.5Confident45 Ų4564.3 Ų64.332%0.31533%0.325SS..Hα-helixtrans-53.8-30.7-178.754.50000113.8I59 M63 L64I59-S61 PolarHBondContact O-N 2.75Å; S61-M63 VanDerWaalsContact C-N 3.31Å; S61-M63 PolarHBondContact O-N 2.83Å; S61-L64 PolarHBondContact O-N 3.06Å
62L52.8Low69.3Low135 Ų13564.6 Ų64.671%0.70733%0.326SS*.Hα-helixtrans-63.1-33173.5-72.9159.1000113.1P60P60-L62 PolarHBondContact O-N 3.29Å
63M60.9Low68.4Low41 Ų4163.5 Ų63.520%0.20232%0.324CS..Hα-helixtrans-81.4-25-178.5-64.9-176.976.800112.3I59 P60 S61 R65 R66 L67 L72 S76 L77I59-M63 HydrophobicContact CG2-CB 3.81Å; P60-M63 HydrophobicContact CB-CG 4.36Å; P60-M63 HydrophobicContact CB-SD 4.48Å; P60-M63 HydrophobicContact CG-CG 4.47Å; P60-M63 HydrophobicContact CG-SD 3.97Å; P60-M63 WeakPolarHBondContact O-CA 3.22Å; P60-M63 WeakPolarHBondContact O-CB 3.37Å; P60-M63 PolarHBondContact O-N 2.99Å; S61-M63 VanDerWaalsContact C-N 3.31Å; S61-M63 PolarHBondContact O-N 2.83Å; M63-R65 VanDerWaalsContact C-N 3.32Å; M63-R65 PolarHBondContact O-N 3.41Å; M63-R66 PolarHBondContact O-N 3.44Å; M63-R66 VanDerWaalsContact O-N 3.1Å; M63-L67 WeakPolarHBondContact O-CB 3.36Å; M63-L67 PolarHBondContact O-N 2.82Å; M63-L72 HydrophobicContact CB-CD2 3.82Å; M63-L72 HydrophobicContact CE-CD1 4Å; M63-L72 HydrophobicContact CE-CD2 3.68Å; M63-L72 HydrophobicContact CE-CG 4.34Å; M63-L72 HydrophobicContact CG-CD2 4.36Å; M63-S76 WeakPolarHBondContact CE-O 3.32Å; M63-L77 HydrophobicContact CE-CD2 4.25Å
64L63.9Low67.6Low37 Ų3759.4 Ų59.419%0.19430%0.299CS..Hα-helixtrans-60.9-38173.5-65.5174000112.6I59 P60 S61 R66 L67 K68 V115I59-L64 HydrophobicContact CB-CD2 4.09Å; I59-L64 HydrophobicContact CD1-CD2 4.34Å; I59-L64 HydrophobicContact CG2-CD2 3.6Å; I59-L64 HydrophobicContact CG2-CG 3.86Å; P60-L64 PolarHBondContact O-N 3.04Å; S61-L64 PolarHBondContact O-N 3.06Å; L64-R66 VanDerWaalsContact C-N 3.31Å; L64-R66 PolarHBondContact O-N 3.35Å; L64-L67 PolarHBondContact O-N 2.82Å; L64-K68 WeakPolarHBondContact O-CB 3.43Å; L64-K68 PolarHBondContact O-N 3.24Å; L64-V115 HydrophobicContact CD1-CG2 4.03Å; L64-V115 HydrophobicContact CD2-CB 4.37Å; L64-V115 HydrophobicContact CD2-CG1 4.21Å; L64-V115 HydrophobicContact CD2-CG2 3.79Å
65R62.1Low66.7Low183 Ų18366.4 Ų66.469%0.69133%0.325SS*.Hα-helixtrans-64.3-35.4174.6-79.1180161176.7-4112.5M63 K69M63-R65 VanDerWaalsContact C-N 3.32Å; M63-R65 PolarHBondContact O-N 3.41Å; R65-K69 WeakPolarHBondContact O-CG 3.44Å; R65-K69 PolarHBondContact O-N 3.49Å
66R60.5Low65.9Low138 Ų13868.4 Ų68.452%0.52134%0.339SS..Hα-helixtrans-76.9-37.1178.2-64.2179.865.5-174.8-0.4111.4M63 L64 K69 G70 N71 L72M63-R66 PolarHBondContact O-N 3.44Å; M63-R66 VanDerWaalsContact O-N 3.1Å; L64-R66 VanDerWaalsContact C-N 3.31Å; L64-R66 PolarHBondContact O-N 3.35Å; R66-K69 CarbonylContact O-C 3.16Å; R66-K69 PolarHBondContact O-N 2.81Å; R66-G70 PolarHBondContact O-N 2.85Å; R66-N71 PolarHBondContact O-N 3.39Å; R66-L72 HydrophobicContact CB-CB 4.12Å; R66-L72 HydrophobicContact CB-CD2 4.25Å
67L64.6Low65Low8 Ų867.8 Ų67.84%0.04234%0.336CS..Hα-helixtrans-61.9-46.3173.5-16278.4000111.1I59 M63 L64 K69 G70 L72 L77 L118 K122I59-L67 HydrophobicContact CD1-CD2 4.41Å; M63-L67 WeakPolarHBondContact O-CB 3.36Å; M63-L67 PolarHBondContact O-N 2.82Å; L64-L67 PolarHBondContact O-N 2.82Å; L67-K69 PolarHBondContact O-N 3.41Å; L67-G70 PolarHBondContact O-N 2.75Å; L67-L72 HydrophobicContact CD1-CB 4.49Å; L67-L77 HydrophobicContact CD1-CD1 3.82Å; L67-L77 HydrophobicContact CD1-CD2 4.3Å; L67-L118 HydrophobicContact CD2-CB 3.6Å; L67-L118 HydrophobicContact CG-CB 4.41Å; L67-K122 HydrophobicContact CD1-CG 4.21Å
68K63.8Low64.6Low142 Ų14268.2 Ų68.262%0.61734%0.338SS*.Hα-helixtrans-62.5-28.3176.7-169.6173.6-177.7175.80113.4L64 G70 L118L64-K68 WeakPolarHBondContact O-CB 3.43Å; L64-K68 PolarHBondContact O-N 3.24Å; K68-G70 VanDerWaalsContact C-N 3.33Å; K68-L118 HydrophobicContact CB-CD1 4.45Å; K68-L118 HydrophobicContact CB-CD2 4.37Å; K68-L118 HydrophobicContact CG-CD2 4.31Å
69K63.8Low64.6Low167 Ų16770.7 Ų70.773%0.72635%0.354SS*.THydrogen-bonded Turntrans-87.21.2174.4-70.2-177.7178.8-171.90113.4R65 R66 L67 N71R65-K69 WeakPolarHBondContact O-CG 3.44Å; R65-K69 PolarHBondContact O-N 3.49Å; R66-K69 CarbonylContact O-C 3.16Å; R66-K69 PolarHBondContact O-N 2.81Å; L67-K69 PolarHBondContact O-N 3.41Å; K69-N71 PolarHBondContact O-N 3.09Å
70G61.7Low64.3Low37 Ų3775.7 Ų75.738%0.38138%0.381SS..THydrogen-bonded Turntrans76.8-3.5177.600000115.9R66 L67 K68 L72 K122R66-G70 PolarHBondContact O-N 2.85Å; L67-G70 PolarHBondContact O-N 2.75Å; K68-G70 VanDerWaalsContact C-N 3.33Å; G70-L72 VanDerWaalsContact C-N 3.32Å; G70-L72 PolarHBondContact O-N 3.41Å; G70-K122 PolarHBondContact O-NZ 3.14Å
71N63.6Low64.5Low125 Ų12574.2 Ų74.267%0.66838%0.378SS*.  trans-91.221.3-169.6-73.4-7.8000114.2R66 K69R66-N71 PolarHBondContact O-N 3.39Å; K69-N71 PolarHBondContact O-N 3.09Å
72L68Low65Low5 Ų580 Ų803%0.02640%0.4CS..SBendtrans-135.2115.3-177.3-166.368.8000110.1M63 R66 L67 G70 S76 L77 K122M63-L72 HydrophobicContact CB-CD2 3.82Å; M63-L72 HydrophobicContact CE-CD1 4Å; M63-L72 HydrophobicContact CE-CD2 3.68Å; M63-L72 HydrophobicContact CE-CG 4.34Å; M63-L72 HydrophobicContact CG-CD2 4.36Å; R66-L72 HydrophobicContact CB-CB 4.12Å; R66-L72 HydrophobicContact CB-CD2 4.25Å; L67-L72 HydrophobicContact CD1-CB 4.49Å; G70-L72 VanDerWaalsContact C-N 3.32Å; G70-L72 PolarHBondContact O-N 3.41Å; L72-S76 WeakPolarHBondContact CD1-OG 3.31Å; L72-S76 VanDerWaalsContact CG-OG 3.27Å; L72-S76 WeakPolarHBondContact CG-OG 3.18Å; L72-L77 HydrophobicContact CD2-CD2 3.54Å; L72-L77 HydrophobicContact CG-CD2 4.36Å; L72-K122 VanDerWaalsContact O-CE 3.23Å; L72-K122 WeakPolarHBondContact O-CE 2.86Å
73P68.8Low65.9Low37 Ų3777.4 Ų77.424%0.2439%0.386CS..  trans-74.2144.9178.631.4-34.5000110.4R75 S76P73-R75 HydrophobicContact CB-CG 4.09Å; P73-R75 HydrophobicContact CG-CG 4.15Å; P73-R75 PolarHBondContact O-N 2.93Å; P73-R75 VanDerWaalsContact O-N 3.11Å; P73-S76 PolarHBondContact O-N 3.2Å; P73-S76 PolarHBondContact O-OG 2.71Å
74V70.6Confident66.5Low0 Ų079.4 Ų79.40%039%0.392CS..G310 helixtrans-55.2-36.5-174.3176.90000112.7S76 L77 F87 L119 K122 M123 Y128V74-S76 PolarHBondContact O-N 3.17Å; V74-L77 HydrophobicContact CG1-CD1 4.39Å; V74-L77 VanDerWaalsContact O-CB 3.24Å; V74-L77 WeakPolarHBondContact O-CB 3.47Å; V74-L77 WeakPolarHBondContact O-CG 3.42Å; V74-L77 PolarHBondContact O-N 3.22Å; V74-F87 HydrophobicContact CB-CZ 4.46Å; V74-F87 HydrophobicContact CG1-CE1 3.93Å; V74-F87 HydrophobicContact CG1-CE2 4.46Å; V74-F87 HydrophobicContact CG1-CZ 3.54Å; V74-L119 HydrophobicContact CG1-CD1 4.1Å; V74-L119 HydrophobicContact CG2-CD1 4.3Å; V74-K122 HydrophobicContact CG2-CG 3.81Å; V74-M123 HydrophobicContact CG1-CE 3.48Å; V74-M123 VanDerWaalsContact CG1-CE 3.48Å; V74-M123 HydrophobicContact CG1-CG 4.28Å; V74-M123 HydrophobicContact CG2-CG 4.02Å; V74-Y128 HydrophobicContact CG2-CE2 4.35Å
75R71.6Confident66.9Low151 Ų15183.3 Ų83.357%0.5741%0.409SS*.G310 helixtrans-56.7-23176.565.5179.6176.4-96.92.2115.4P73 L77 V88P73-R75 HydrophobicContact CB-CG 4.09Å; P73-R75 HydrophobicContact CG-CG 4.15Å; P73-R75 PolarHBondContact O-N 2.93Å; P73-R75 VanDerWaalsContact O-N 3.11Å; R75-L77 VanDerWaalsContact C-N 3.29Å; R75-V88 HydrophobicContact CB-CG2 4.39Å
76S69.6Low67.3Low48 Ų4876.1 Ų76.134%0.33639%0.387SS..G310 helixtrans-86.2-2.6179.863.70000113.4M63 L72 P73 V74M63-S76 WeakPolarHBondContact CE-O 3.32Å; L72-S76 WeakPolarHBondContact CD1-OG 3.31Å; L72-S76 VanDerWaalsContact CG-OG 3.27Å; L72-S76 WeakPolarHBondContact CG-OG 3.18Å; P73-S76 PolarHBondContact O-N 3.2Å; P73-S76 PolarHBondContact O-OG 2.71Å; V74-S76 PolarHBondContact O-N 3.17Å
77L69.1Low68.2Low4 Ų469.7 Ų69.72%0.02136%0.363CS..G310 helixtrans-90.6-6.7177.9-57.7172.3000113.1V57 I59 M63 L67 L72 V74 R75 L119V57-L77 HydrophobicContact CG1-CB 4.01Å; I59-L77 HydrophobicContact CD1-CD1 3.94Å; I59-L77 HydrophobicContact CD1-CD2 3.99Å; I59-L77 HydrophobicContact CD1-CG 4.41Å; I59-L77 HydrophobicContact CG1-CD2 4.18Å; I59-L77 HydrophobicContact CG2-CD2 3.98Å; M63-L77 HydrophobicContact CE-CD2 4.25Å; L67-L77 HydrophobicContact CD1-CD1 3.82Å; L67-L77 HydrophobicContact CD1-CD2 4.3Å; L72-L77 HydrophobicContact CD2-CD2 3.54Å; L72-L77 HydrophobicContact CG-CD2 4.36Å; V74-L77 HydrophobicContact CG1-CD1 4.39Å; V74-L77 VanDerWaalsContact O-CB 3.24Å; V74-L77 WeakPolarHBondContact O-CB 3.47Å; V74-L77 WeakPolarHBondContact O-CG 3.42Å; V74-L77 PolarHBondContact O-N 3.22Å; R75-L77 VanDerWaalsContact C-N 3.29Å; L77-L119 HydrophobicContact CD1-CD1 3.42Å; L77-L119 VanDerWaalsContact CD1-CD1 3.42Å
78L71.5Confident68.7Low11 Ų1173.3 Ų73.36%0.05839%0.385CS..SBendtrans-101137.9-178.2-59.4176.3000109.3M38 I55 V57 R84 F87M38-L78 HydrophobicContact CE-CD2 3.93Å; I55-L78 HydrophobicContact CG2-CD2 3.87Å; V57-L78 HydrophobicContact CG1-CD2 4.39Å; V57-L78 HydrophobicContact CG2-CD2 4.23Å; L78-R84 HydrophobicContact CB-CB 4.12Å; L78-R84 HydrophobicContact CB-CG 4.11Å; L78-F87 HydrophobicContact CD1-CB 3.28Å; L78-F87 HydrophobicContact CD1-CD1 3.43Å; L78-F87 VanDerWaalsContact CD1-CD1 3.43Å; L78-F87 HydrophobicContact CD1-CD2 4.01Å; L78-F87 HydrophobicContact CD1-CE1 4.25Å; L78-F87 HydrophobicContact CD1-CG 3.29Å
79S63.9Low69.3Low79 Ų7975.4 Ų75.455%0.55239%0.389SS*.PPolyproline II helixtrans-56.3142.9172.6-60.90000110.8G81 R84S79-G81 PolarHBondContact O-N 2.82Å; S79-R84 WeakPolarHBondContact O-CB 3.44Å
80D58Low70.1Confident129 Ų12970.9 Ų70.969%0.6937%0.367SS*.SBendtrans-60.6118176.1-112.3-65000109.9R84D80-R84 IonicContact OD1-CZ 3.69Å; D80-R84 IonicContact OD1-NE 2.82Å; D80-R84 IonicContact OD1-NH1 3.66Å; D80-R84 PolarHBondContact OD1-NH1 3.47Å; D80-R84 IonicContact OD1-NH2 2.78Å; D80-R84 PolarHBondContact OD1-NH2 2.99Å; D80-R84 IonicContact OD2-CZ 4Å; D80-R84 IonicContact OD2-NH1 2.73Å; D80-R84 PolarHBondContact OD2-NH1 3.32Å
81G67.9Low70.8Confident36 Ų3669.5 Ų69.537%0.37135%0.352SS..SBendtrans159.2-168.1-177.300000114.6S79 D83 R84 E85S79-G81 PolarHBondContact O-N 2.82Å; G81-D83 VanDerWaalsContact C-N 3.26Å; G81-D83 PolarHBondContact O-N 2.9Å; G81-R84 PolarHBondContact O-N 2.86Å; G81-E85 PolarHBondContact O-N 3.44Å
82E68.9Low71.5Confident168 Ų16872 Ų7279%0.78536%0.357SS*.Hα-helixtrans-58-36.1-179.3-67-167144.800112.7R84 E85 S86E82-R84 VanDerWaalsContact C-N 3.35Å; E82-R84 PolarHBondContact O-N 3.49Å; E82-E85 PolarHBondContact O-N 2.89Å; E82-S86 WeakPolarHBondContact O-CB 3.21Å; E82-S86 PolarHBondContact O-N 2.82Å
83D70.9Confident72Confident79 Ų7976.3 Ų76.342%0.42238%0.383SS..Hα-helixtrans-62.6-39.2178-68.3-27.2000112.9I55 G81 F87I55-D83 HydrophobicContact CD1-CB 4.46Å; I55-D83 HydrophobicContact CG1-CB 4.3Å; I55-D83 HydrophobicContact CG2-CB 3.84Å; G81-D83 VanDerWaalsContact C-N 3.26Å; G81-D83 PolarHBondContact O-N 2.9Å; D83-F87 WeakPolarHBondContact O-CB 3.27Å; D83-F87 PolarHBondContact O-N 2.87Å
84R72.8Confident72.8Confident83 Ų8375.1 Ų75.131%0.31338%0.375SS..Hα-helixtrans-68.1-40.1176.6-170.1-179.674.8-175.6-4.4111L78 S79 D80 G81 E82 V88L78-R84 HydrophobicContact CB-CB 4.12Å; L78-R84 HydrophobicContact CB-CG 4.11Å; S79-R84 WeakPolarHBondContact O-CB 3.44Å; D80-R84 IonicContact OD1-CZ 3.69Å; D80-R84 IonicContact OD1-NE 2.82Å; D80-R84 IonicContact OD1-NH1 3.66Å; D80-R84 PolarHBondContact OD1-NH1 3.47Å; D80-R84 IonicContact OD1-NH2 2.78Å; D80-R84 PolarHBondContact OD1-NH2 2.99Å; D80-R84 IonicContact OD2-CZ 4Å; D80-R84 IonicContact OD2-NH1 2.73Å; D80-R84 PolarHBondContact OD2-NH1 3.32Å; G81-R84 PolarHBondContact O-N 2.86Å; E82-R84 VanDerWaalsContact C-N 3.35Å; E82-R84 PolarHBondContact O-N 3.49Å; R84-V88 WeakPolarHBondContact O-CB 3.38Å; R84-V88 WeakPolarHBondContact O-CG2 3.42Å; R84-V88 PolarHBondContact O-N 3.23Å
85E72.6Confident73.7Confident119 Ų11976.8 Ų76.856%0.55639%0.385SS*.Hα-helixtrans-67.7-42176.8-66.6-169.517600112G81 E82 V88 R89G81-E85 PolarHBondContact O-N 3.44Å; E82-E85 PolarHBondContact O-N 2.89Å; E85-V88 PolarHBondContact O-N 2.77Å; E85-R89 VanDerWaalsContact O-CB 3.32Å; E85-R89 WeakPolarHBondContact O-CB 3.31Å; E85-R89 PolarHBondContact O-N 2.79Å
86S72Confident74.6Confident33 Ų3369.6 Ų69.623%0.23136%0.358CS..Hα-helixtrans-58.8-48.6174.4-175.60000110.9E82 R89 R90E82-S86 WeakPolarHBondContact O-CB 3.21Å; E82-S86 PolarHBondContact O-N 2.82Å; S86-R89 PolarHBondContact O-N 2.61Å; S86-R90 VanDerWaalsContact O-CB 3.3Å; S86-R90 WeakPolarHBondContact O-CB 3.38Å; S86-R90 WeakPolarHBondContact O-CG 3.12Å; S86-R90 PolarHBondContact O-N 3.04Å; S86-R90 VanDerWaalsContact O-N 3.11Å
87F79.2Confident75.7Confident2 Ų267.3 Ų67.31%0.00934%0.342CS..Hα-helixtrans-61.6-49.7175.5179.5-95.1000112.2L36 M38 V74 L78 D83 R89 R90 C91 I96 M123L36-F87 HydrophobicContact CD1-CD2 4.09Å; M38-F87 HydrophobicContact CE-CD2 4.04Å; M38-F87 HydrophobicContact CE-CE2 3.8Å; M38-F87 HydrophobicContact SD-CD2 4.12Å; M38-F87 HydrophobicContact SD-CE2 3.7Å; V74-F87 HydrophobicContact CB-CZ 4.46Å; V74-F87 HydrophobicContact CG1-CE1 3.93Å; V74-F87 HydrophobicContact CG1-CE2 4.46Å; V74-F87 HydrophobicContact CG1-CZ 3.54Å; L78-F87 HydrophobicContact CD1-CB 3.28Å; L78-F87 HydrophobicContact CD1-CD1 3.43Å; L78-F87 VanDerWaalsContact CD1-CD1 3.43Å; L78-F87 HydrophobicContact CD1-CD2 4.01Å; L78-F87 HydrophobicContact CD1-CE1 4.25Å; L78-F87 HydrophobicContact CD1-CG 3.29Å; D83-F87 WeakPolarHBondContact O-CB 3.27Å; D83-F87 PolarHBondContact O-N 2.87Å; F87-R89 PolarHBondContact O-N 3.14Å; F87-R90 PolarHBondContact O-N 2.76Å; F87-R90 VanDerWaalsContact O-N 3.14Å; F87-C91 HydrophobicContact CD1-CB 4.06Å; F87-C91 HydrophobicContact CD2-CB 4.07Å; F87-C91 HydrophobicContact CE1-CB 3.74Å; F87-C91 HydrophobicContact CE2-CB 3.75Å; F87-C91 HydrophobicContact CG-CB 4.21Å; F87-C91 HydrophobicContact CZ-CB 3.56Å; F87-C91 WeakPolarHBondContact O-CA 3.5Å; F87-C91 WeakPolarHBondContact O-CB 3.34Å; F87-C91 PolarHBondContact O-N 2.98Å; F87-C91 PolarHBondContact O-SG 3.39Å; F87-I96 HydrophobicContact CE2-CD1 4.09Å; F87-M123 HydrophobicContact CE2-CE 4.2Å; F87-M123 HydrophobicContact CZ-CE 4.26Å
88V75.3Confident76.8Confident84 Ų8467.1 Ų67.151%0.50934%0.341SS..Hα-helixtrans-60.3-35.6-178.4167.50000111.8R75 R84 E85R75-V88 HydrophobicContact CB-CG2 4.39Å; R84-V88 WeakPolarHBondContact O-CB 3.38Å; R84-V88 WeakPolarHBondContact O-CG2 3.42Å; R84-V88 PolarHBondContact O-N 3.23Å; E85-V88 PolarHBondContact O-N 2.77Å
89R76.4Confident77.7Confident186 Ų18666.6 Ų66.670%0.70234%0.338SS*.Hα-helixtrans-70.5-37.2178.1-169.8-173.8-56.1162.25112.3E85 S86 F87E85-R89 VanDerWaalsContact O-CB 3.32Å; E85-R89 WeakPolarHBondContact O-CB 3.31Å; E85-R89 PolarHBondContact O-N 2.79Å; S86-R89 PolarHBondContact O-N 2.61Å; F87-R89 PolarHBondContact O-N 3.14Å
90R78.6Confident78.8Confident73 Ų7364.7 Ų64.728%0.27532%0.322SS..Hα-helixtrans-108.8-19.1-164.7-65.3175.966.7-168.6-3.1114.5L35 L36 S86 F87 K92 T93 D94L35-R90 PolarHBondContact O-NH2 3.18Å; L36-R90 HydrophobicContact CD1-CB 3.8Å; L36-R90 HydrophobicContact CD2-CB 4.17Å; L36-R90 HydrophobicContact CG-CB 4.12Å; S86-R90 VanDerWaalsContact O-CB 3.3Å; S86-R90 WeakPolarHBondContact O-CB 3.38Å; S86-R90 WeakPolarHBondContact O-CG 3.12Å; S86-R90 PolarHBondContact O-N 3.04Å; S86-R90 VanDerWaalsContact O-N 3.11Å; F87-R90 PolarHBondContact O-N 2.76Å; F87-R90 VanDerWaalsContact O-N 3.14Å; R90-K92 PolarHBondContact O-N 2.76Å; R90-T93 PolarHBondContact O-N 3.33Å; R90-T93 PolarHBondContact O-OG1 3.1Å; R90-T93 VanDerWaalsContact O-OG1 3.07Å; R90-D94 HydrophobicContact CB-CB 4.34Å; R90-D94 IonicContact CZ-OD2 3.97Å; R90-D94 IonicContact NE-OD2 3.84Å; R90-D94 PolarHBondContact NE-OD2 3.33Å; R90-D94 IonicContact NH2-OD2 2.65Å; R90-D94 PolarHBondContact NH2-OD2 2.78Å; R90-D94 VanDerWaalsContact O-CB 3.27Å; R90-D94 WeakPolarHBondContact O-CB 3.39Å; R90-D94 PolarHBondContact O-N 2.84Å
91C76.7Confident80.2Confident7 Ų760.2 Ų60.25%0.04730%0.297CS..THydrogen-bonded Turntrans-60.5-26.1-169.962.80000114.9L36 F87 I96 Y128L36-C91 HydrophobicContact CD1-CB 4.42Å; F87-C91 HydrophobicContact CD1-CB 4.06Å; F87-C91 HydrophobicContact CD2-CB 4.07Å; F87-C91 HydrophobicContact CE1-CB 3.74Å; F87-C91 HydrophobicContact CE2-CB 3.75Å; F87-C91 HydrophobicContact CG-CB 4.21Å; F87-C91 HydrophobicContact CZ-CB 3.56Å; F87-C91 WeakPolarHBondContact O-CA 3.5Å; F87-C91 WeakPolarHBondContact O-CB 3.34Å; F87-C91 PolarHBondContact O-N 2.98Å; F87-C91 PolarHBondContact O-SG 3.39Å; C91-I96 HydrophobicContact CB-CD1 4.3Å; C91-Y128 HydrophobicContact CB-CD1 4.26Å; C91-Y128 HydrophobicContact CB-CE1 4.08Å; C91-Y128 WeakPolarHBondContact O-CD1 3.41Å
92K78.8Confident80.7Confident179 Ų17965.4 Ų65.478%0.77831%0.306SS*.THydrogen-bonded Turntrans-85.9-24.1178.9-67.7-174178.2-177.80114R90 Y128R90-K92 PolarHBondContact O-N 2.76Å; K92-Y128 HydrophobicContact CG-CE1 4.11Å
93T78.7Confident80.9Confident94 Ų9458 Ų5858%0.57727%0.273SS*.THydrogen-bonded Turntrans-99.9-38.1-174.9470000111.5R90R90-T93 PolarHBondContact O-N 3.33Å; R90-T93 PolarHBondContact O-OG1 3.1Å; R90-T93 VanDerWaalsContact O-OG1 3.07Å
94D85.4Confident80.4Confident12 Ų1263.8 Ų63.86%0.06429%0.289CS..SBendtrans-88.2154.9-167-67.832.6000111.8G34 L35 L36 R90G34-D94 VanDerWaalsContact C-CG 3.5Å; G34-D94 VanDerWaalsContact C-OD2 3.28Å; G34-D94 WeakPolarHBondContact CA-OD2 3.32Å; G34-D94 CarbonylContact O-C 3.59Å; G34-D94 VanDerWaalsContact O-CA 3.32Å; G34-D94 WeakPolarHBondContact O-CA 3.22Å; G34-D94 WeakPolarHBondContact O-CB 3.49Å; L35-D94 PolarHBondContact N-OD2 3.2Å; L36-D94 HydrophobicContact CD1-CB 4.2Å; L36-D94 HydrophobicContact CG-CB 4.09Å; R90-D94 HydrophobicContact CB-CB 4.34Å; R90-D94 IonicContact CZ-OD2 3.97Å; R90-D94 IonicContact NE-OD2 3.84Å; R90-D94 PolarHBondContact NE-OD2 3.33Å; R90-D94 IonicContact NH2-OD2 2.65Å; R90-D94 PolarHBondContact NH2-OD2 2.78Å; R90-D94 VanDerWaalsContact O-CB 3.27Å; R90-D94 WeakPolarHBondContact O-CB 3.39Å; R90-D94 PolarHBondContact O-N 2.84Å
95T89.2Confident79.9Confident35 Ų3567.9 Ų67.922%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-76125.9167.2-59.50000108.4W23 G34 L36 F131W23-T95 HydrophobicContact CH2-CG2 3.91Å; G34-T95 PolarHBondContact O-N 2.6Å; L36-T95 PolarHBondContact N-O 3Å; T95-F131 HydrophobicContact CG2-CD2 3.69Å; T95-F131 HydrophobicContact CG2-CE2 3.73Å
96I90.9Very high79.5Confident0 Ų064.3 Ų64.30%029%0.293CS..EExtended strand (participates in β ladder)trans-101.4124.4179.1-53.7176.2000108.5L36 M38 F87 C91 L98 M123 Y128 K129 A130 F131L36-I96 HydrophobicContact CB-CG1 4.26Å; L36-I96 HydrophobicContact CD1-CG1 4.23Å; L36-I96 CarbonylContact O-C 3.6Å; L36-I96 WeakPolarHBondContact O-CA 3.23Å; M38-I96 HydrophobicContact CG-CG2 4.09Å; M38-I96 HydrophobicContact SD-CG2 3.51Å; M38-I96 VanDerWaalsContact SD-CG2 3.51Å; F87-I96 HydrophobicContact CE2-CD1 4.09Å; C91-I96 HydrophobicContact CB-CD1 4.3Å; I96-L98 HydrophobicContact CG2-CD1 3.97Å; I96-L98 HydrophobicContact CG2-CG 4.22Å; I96-M123 HydrophobicContact CD1-SD 4.22Å; I96-M123 HydrophobicContact CG2-CE 4.44Å; I96-M123 HydrophobicContact CG2-SD 4Å; I96-Y128 HydrophobicContact CD1-CG 4.22Å; I96-K129 PolarHBondContact N-O 3.18Å; I96-A130 HydrophobicContact CB-CB 4.36Å; I96-A130 CarbonylContact O-C 3.57Å; I96-A130 WeakPolarHBondContact O-CA 3.34Å; I96-F131 PolarHBondContact O-N 3.3Å
97V92.5Very high79Confident0 Ų066.2 Ų66.20%030%0.301CS..EExtended strand (participates in β ladder)trans-112.5123.5171.8178.90000109.1K19 W23 L24 L35 L36 V37 M38 F131 L133K19-V97 HydrophobicContact CG-CG2 4.37Å; W23-V97 HydrophobicContact CH2-CG2 4.42Å; W23-V97 HydrophobicContact CZ3-CG2 3.75Å; L24-V97 HydrophobicContact CD2-CG1 4.49Å; L35-V97 HydrophobicContact CD1-CG2 3.92Å; L36-V97 PolarHBondContact O-N 2.98Å; V37-V97 CarbonylContact C-O 3.59Å; V37-V97 WeakPolarHBondContact CA-O 3.36Å; M38-V97 PolarHBondContact N-O 2.72Å; V97-F131 CarbonylContact C-O 3.6Å; V97-F131 WeakPolarHBondContact CA-O 3.43Å; V97-L133 HydrophobicContact CG1-CB 4.05Å; V97-L133 HydrophobicContact CG1-CD1 4.43Å
98L92Very high78.1Confident0 Ų071.6 Ų71.60%033%0.326CS..EExtended strand (participates in β ladder)trans-107.6142.1176.6-56.5102.5000110.2M38 I96 L116 L119 L120 M123 A130 F131 Y132 L133M38-L98 HydrophobicContact CB-CD2 4.38Å; M38-L98 HydrophobicContact CB-CG 4.22Å; M38-L98 WeakPolarHBondContact O-CA 3.27Å; M38-L98 HydrophobicContact SD-CD2 4.49Å; I96-L98 HydrophobicContact CG2-CD1 3.97Å; I96-L98 HydrophobicContact CG2-CG 4.22Å; L98-L116 HydrophobicContact CB-CD1 3.32Å; L98-L119 HydrophobicContact CD2-CB 4.16Å; L98-L119 HydrophobicContact CD2-CD2 3.31Å; L98-L119 HydrophobicContact CD2-CG 3.55Å; L98-L120 HydrophobicContact CD1-CD1 3.81Å; L98-M123 HydrophobicContact CD1-SD 3.84Å; L98-M123 HydrophobicContact CD2-CE 3.94Å; L98-M123 HydrophobicContact CD2-SD 3.88Å; L98-M123 HydrophobicContact CG-SD 4.33Å; L98-A130 HydrophobicContact CD1-CB 3.96Å; L98-F131 PolarHBondContact N-O 3.07Å; L98-Y132 CarbonylContact O-C 3.54Å; L98-Y132 WeakPolarHBondContact O-CA 3.47Å; L98-L133 PolarHBondContact O-N 3.45Å
99Y91.4Very high77Confident0 Ų075 Ų750%034%0.341CS..EExtended strand (participates in β ladder)trans-139.8153.417466.6-98.5000112.4V37 M38 D39 C40 V51 A54 L133 F137V37-Y99 HydrophobicContact CG1-CD1 3.99Å; V37-Y99 HydrophobicContact CG1-CE1 3.54Å; M38-Y99 PolarHBondContact O-N 3.33Å; D39-Y99 HydrophobicContact CB-CE1 4.23Å; D39-Y99 HydrophobicContact CB-CE2 3.85Å; D39-Y99 WeakPolarHBondContact CB-OH 3.35Å; D39-Y99 WeakPolarHBondContact OD2-CE2 3.48Å; D39-Y99 PolarHBondContact OD2-OH 3.5Å; D39-Y99 VanDerWaalsContact OD2-OH 3.1Å; C40-Y99 VanDerWaalsContact CB-O 3.24Å; C40-Y99 WeakPolarHBondContact CB-O 3.15Å; C40-Y99 PolarHBondContact N-O 3.16Å; V51-Y99 HydrophobicContact CB-CE1 3.96Å; V51-Y99 HydrophobicContact CG2-CD1 4.4Å; V51-Y99 HydrophobicContact CG2-CE1 3.67Å; V51-Y99 HydrophobicContact CG2-CE2 4.45Å; V51-Y99 PolarHBondContact N-OH 3.38Å; A54-Y99 HydrophobicContact CB-CE1 4.1Å; A54-Y99 WeakPolarHBondContact CB-OH 3.41Å; Y99-L133 HydrophobicContact CD1-CD2 4.4Å; Y99-L133 HydrophobicContact CG-CD2 4.3Å; Y99-F137 HydrophobicContact CD2-CB 3.79Å; Y99-F137 HydrophobicContact CD2-CD2 4.47Å; Y99-F137 HydrophobicContact CE2-CB 3.8Å; Y99-F137 AromaticContact CE2-CD2 3.76Å; Y99-F137 HydrophobicContact CE2-CD2 3.76Å; Y99-F137 HydrophobicContact CE2-CG 4.13Å
100D87.5Confident76Confident39 Ų3971.1 Ų71.121%0.20934%0.338CS..  trans-114-162.7166.971.2-10.5000109.3Y102 S103 L116 G136 F137D100-Y102 PolarHBondContact OD1-N 3.26Å; D100-S103 WeakPolarHBondContact OD1-CA 3.34Å; D100-S103 WeakPolarHBondContact OD1-CB 3.09Å; D100-S103 PolarHBondContact OD1-N 3.4Å; D100-S103 PolarHBondContact OD1-OG 2.89Å; D100-S103 PolarHBondContact OD2-OG 2.81Å; D100-L116 HydrophobicContact CB-CD2 4.18Å; D100-G136 CarbonylContact O-C 3.59Å; D100-G136 WeakPolarHBondContact O-CA 3.21Å; D100-F137 PolarHBondContact O-N 2.92Å
101E86Confident75.1Confident35 Ų3569.1 Ų69.116%0.16433%0.333CS..SBendtrans-74.7-39.9-179.3-168.165.5-137.900113.7R41 F137 S138R41-E101 WeakPolarHBondContact CD-OE2 3.12Å; R41-E101 HydrophobicContact CG-CB 4.41Å; R41-E101 IonicContact CZ-OE2 3.52Å; R41-E101 IonicContact NE-OE2 3.15Å; R41-E101 IonicContact NH1-OE2 3.45Å; R41-E101 PolarHBondContact NH1-OE2 2.99Å; E101-F137 PolarHBondContact O-N 3.45Å; E101-S138 VanDerWaalsContact O-CB 3.25Å; E101-S138 WeakPolarHBondContact O-CB 3.28Å; E101-S138 PolarHBondContact O-N 2.83Å
102Y79.7Confident74.3Confident145 Ų14569.3 Ų69.357%0.56934%0.336SS*.  trans-142.616.6-165.9-56-70.4000116.6D100 R104D100-Y102 PolarHBondContact OD1-N 3.26Å; Y102-R104 WeakPolarHBondContact O-CG 3.3Å; Y102-R104 PolarHBondContact O-N 3Å
103S72Confident73.5Confident14 Ų1462.4 Ų62.410%0.09832%0.315CS..  trans-62.8101.4-175.5-850000112.6D100 L116 G135 G136D100-S103 WeakPolarHBondContact OD1-CA 3.34Å; D100-S103 WeakPolarHBondContact OD1-CB 3.09Å; D100-S103 PolarHBondContact OD1-N 3.4Å; D100-S103 PolarHBondContact OD1-OG 2.89Å; D100-S103 PolarHBondContact OD2-OG 2.81Å; S103-L116 WeakPolarHBondContact OG-CD2 3.29Å; S103-G135 CarbonylContact O-C 3.56Å; S103-G135 VanDerWaalsContact O-CA 3.22Å; S103-G135 WeakPolarHBondContact O-CA 3.26Å; S103-G135 PolarHBondContact O-N 3.3Å; S103-G136 PolarHBondContact O-N 3.45Å
104R60Low73.3Confident200 Ų20059.5 Ų59.576%0.75530%0.299SS*.  trans-86.2-40.1-176-71.4176.6-176.7-175.5-0.4113.7Y102Y102-R104 WeakPolarHBondContact O-CG 3.3Å; Y102-R104 PolarHBondContact O-N 3Å
105E62.4Low72.9Confident169 Ų16961 Ų6179%0.7931%0.309SS*.SBendtrans-150.1124.4179.1-66.7-178.4-176.700109.6N107E105-N107 PolarHBondContact O-N 2.89Å
106W63.9Low72.6Confident43 Ų4359.5 Ų59.516%0.16330%0.299CS..  trans-73.6123.4-179.4176.5-86000112.7D111 L116 L120 Y132W106-D111 WeakPolarHBondContact CA-OD2 3.32Å; W106-D111 HydrophobicContact CD2-CB 4.23Å; W106-D111 HydrophobicContact CE3-CB 3.95Å; W106-D111 HydrophobicContact CZ3-CB 4.23Å; W106-L116 HydrophobicContact CZ3-CG 4.31Å; W106-L120 HydrophobicContact CD2-CD2 4.39Å; W106-L120 HydrophobicContact CE3-CD2 4.13Å; W106-L120 HydrophobicContact CH2-CB 3.91Å; W106-L120 HydrophobicContact CH2-CD2 3.51Å; W106-L120 HydrophobicContact CH2-CG 4.26Å; W106-L120 HydrophobicContact CZ2-CD2 3.91Å; W106-L120 HydrophobicContact CZ3-CB 4.39Å; W106-L120 HydrophobicContact CZ3-CD2 3.69Å; W106-Y132 HydrophobicContact CB-CD1 4.09Å; W106-Y132 HydrophobicContact CB-CE1 3.28Å; W106-Y132 HydrophobicContact CB-CE2 4.13Å; W106-Y132 VanDerWaalsContact CB-OH 3.31Å; W106-Y132 WeakPolarHBondContact CB-OH 3.1Å; W106-Y132 HydrophobicContact CD2-CD1 4.45Å; W106-Y132 HydrophobicContact CD2-CE1 4.42Å; W106-Y132 HydrophobicContact CE3-CD1 4.23Å; W106-Y132 HydrophobicContact CG-CD1 4.44Å; W106-Y132 AromaticContact CG-CE1 3.95Å; W106-Y132 HydrophobicContact CG-CE1 3.95Å; W106-Y132 PolarHBondContact N-OH 2.95Å; W106-Y132 VanDerWaalsContact N-OH 3.11Å
107N61.9Low72.1Confident73 Ų7359.5 Ų59.539%0.3930%0.299SS..  trans-121.8109.9172-178.8-17.5000109.4E105 N109 V110 D111E105-N107 PolarHBondContact O-N 2.89Å; N107-N109 PolarHBondContact O-N 3.29Å; N107-N109 WeakPolarHBondContact OD1-CB 3.22Å; N107-N109 PolarHBondContact OD1-N 3.36Å; N107-V110 HydrophobicContact CB-CB 4.24Å; N107-V110 HydrophobicContact CB-CG2 4.39Å; N107-V110 PolarHBondContact O-N 3.14Å; N107-D111 PolarHBondContact N-OD2 3.11Å; N107-D111 WeakPolarHBondContact O-CB 3.42Å; N107-D111 PolarHBondContact O-N 3.27Å
108E60.6Low71.5Confident115 Ų11560.4 Ų60.454%0.53730%0.304SS..Hα-helixtrans-54.8-27.2-178.2-72.8-171.9162.300114.3G112E108-G112 WeakPolarHBondContact O-CA 3.43Å; E108-G112 PolarHBondContact O-N 3.46Å
109N51.8Low71Confident156 Ų15660.4 Ų60.483%0.83430%0.304SS*.Hα-helixtrans-78.4-25.8179.4-64.9-40.9000113.3N107N107-N109 PolarHBondContact O-N 3.29Å; N107-N109 WeakPolarHBondContact OD1-CB 3.22Å; N107-N109 PolarHBondContact OD1-N 3.36Å
110V56.1Low70.7Confident104 Ų10460.5 Ų60.563%0.6331%0.305SS*.Hα-helixtrans-104.3-46.4-177.6179.60000110.3N107N107-V110 HydrophobicContact CB-CB 4.24Å; N107-V110 HydrophobicContact CB-CG2 4.39Å; N107-V110 PolarHBondContact O-N 3.14Å
111D59.9Low70.4Confident31 Ų3163.5 Ų63.517%0.16631%0.313CS..Hα-helixtrans-87-15.5-173.1-57.6-45.7000112.7W106 N107 G113 S114 G117W106-D111 WeakPolarHBondContact CA-OD2 3.32Å; W106-D111 HydrophobicContact CD2-CB 4.23Å; W106-D111 HydrophobicContact CE3-CB 3.95Å; W106-D111 HydrophobicContact CZ3-CB 4.23Å; N107-D111 PolarHBondContact N-OD2 3.11Å; N107-D111 WeakPolarHBondContact O-CB 3.42Å; N107-D111 PolarHBondContact O-N 3.27Å; D111-G113 PolarHBondContact O-N 2.79Å; D111-S114 WeakPolarHBondContact O-CB 3.46Å; D111-S114 PolarHBondContact O-N 3.34Å; D111-S114 PolarHBondContact O-OG 3.1Å; D111-G117 WeakPolarHBondContact O-CA 3.42Å
112G59Low70.2Confident11 Ų1163.5 Ų63.511%0.11331%0.313CS..THydrogen-bonded Turntrans-62.8-12.8177.800000114.9E108 L118E108-G112 WeakPolarHBondContact O-CA 3.43Å; E108-G112 PolarHBondContact O-N 3.46Å; G112-L118 WeakPolarHBondContact O-CD2 3.4Å
113G62.2Low70.4Confident34 Ų3456.6 Ų56.635%0.35129%0.285SS..THydrogen-bonded Turntrans-98.6-8172.900000114.9D111D111-G113 PolarHBondContact O-N 2.79Å
114S75.1Confident70.9Confident34 Ų3459.9 Ų59.924%0.23830%0.298CS..SBendtrans-78.5164.7178.973.90000111.7D111 G117 L118D111-S114 WeakPolarHBondContact O-CB 3.46Å; D111-S114 PolarHBondContact O-N 3.34Å; D111-S114 PolarHBondContact O-OG 3.1Å; S114-G117 WeakPolarHBondContact O-CA 3.32Å; S114-G117 PolarHBondContact O-N 3.21Å; S114-G117 WeakPolarHBondContact OG-CA 3.25Å; S114-G117 PolarHBondContact OG-N 3.37Å; S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 2.81Å
115V76.9Confident71.9Confident44 Ų4456.1 Ų56.127%0.26729%0.293SS..Hα-helixtrans-59.6-51.4176.2-179.60000110.6C40 I59 L64 G117 L118 L119C40-V115 HydrophobicContact CB-CG1 4.39Å; I59-V115 HydrophobicContact CD1-CG1 3.69Å; I59-V115 HydrophobicContact CG1-CG1 4.17Å; L64-V115 HydrophobicContact CD1-CG2 4.03Å; L64-V115 HydrophobicContact CD2-CB 4.37Å; L64-V115 HydrophobicContact CD2-CG1 4.21Å; L64-V115 HydrophobicContact CD2-CG2 3.79Å; V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 3.36Å; V115-L118 PolarHBondContact O-N 3.47Å; V115-L119 VanDerWaalsContact O-CB 3.26Å; V115-L119 WeakPolarHBondContact O-CB 3.39Å; V115-L119 PolarHBondContact O-N 2.81Å
116L83.7Confident72.8Confident2 Ų251.1 Ų51.11%0.0127%0.269CS..Hα-helixtrans-54.9-46.8173.4-178.466.6000111L98 D100 S103 W106 L119 L120L98-L116 HydrophobicContact CB-CD1 3.32Å; D100-L116 HydrophobicContact CB-CD2 4.18Å; S103-L116 WeakPolarHBondContact OG-CD2 3.29Å; W106-L116 HydrophobicContact CZ3-CG 4.31Å; L116-L119 PolarHBondContact O-N 2.72Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 PolarHBondContact O-N 3.32Å
117G80.1Confident73.7Confident0 Ų052.1 Ų52.10%029%0.293CS..Hα-helixtrans-37.5-69.4168.100000115.6D111 S114 V115 L119 R121D111-G117 WeakPolarHBondContact O-CA 3.42Å; S114-G117 WeakPolarHBondContact O-CA 3.32Å; S114-G117 PolarHBondContact O-N 3.21Å; S114-G117 WeakPolarHBondContact OG-CA 3.25Å; S114-G117 PolarHBondContact OG-N 3.37Å; V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 3.36Å; G117-L119 VanDerWaalsContact C-N 3.35Å; G117-R121 PolarHBondContact O-N 3.36Å
118L80.3Confident74.9Confident20 Ų2050.2 Ų50.211%0.10528%0.281CS..Hα-helixtrans-67.6-37.9-174.9-65.8170.2000111.3L67 K68 G112 S114 V115 K122L67-L118 HydrophobicContact CD2-CB 3.6Å; L67-L118 HydrophobicContact CG-CB 4.41Å; K68-L118 HydrophobicContact CB-CD1 4.45Å; K68-L118 HydrophobicContact CB-CD2 4.37Å; K68-L118 HydrophobicContact CG-CD2 4.31Å; G112-L118 WeakPolarHBondContact O-CD2 3.4Å; S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 2.81Å; V115-L118 PolarHBondContact O-N 3.47Å; L118-K122 WeakPolarHBondContact O-CB 2.94Å; L118-K122 PolarHBondContact O-N 2.84Å
119L81Confident76.2Confident0 Ų050.6 Ų50.60%028%0.281CS..Hα-helixtrans-70.2-44.5-178.9-170.457.3000111.7V57 V74 L77 L98 V115 L116 G117 R121 K122 M123V57-L119 HydrophobicContact CB-CD2 4.47Å; V57-L119 HydrophobicContact CG1-CD2 3.92Å; V57-L119 HydrophobicContact CG2-CD2 4.45Å; V74-L119 HydrophobicContact CG1-CD1 4.1Å; V74-L119 HydrophobicContact CG2-CD1 4.3Å; L77-L119 HydrophobicContact CD1-CD1 3.42Å; L77-L119 VanDerWaalsContact CD1-CD1 3.42Å; L98-L119 HydrophobicContact CD2-CB 4.16Å; L98-L119 HydrophobicContact CD2-CD2 3.31Å; L98-L119 HydrophobicContact CD2-CG 3.55Å; V115-L119 VanDerWaalsContact O-CB 3.26Å; V115-L119 WeakPolarHBondContact O-CB 3.39Å; V115-L119 PolarHBondContact O-N 2.81Å; L116-L119 PolarHBondContact O-N 2.72Å; G117-L119 VanDerWaalsContact C-N 3.35Å; L119-R121 PolarHBondContact O-N 3.37Å; L119-K122 PolarHBondContact O-N 3.27Å; L119-M123 HydrophobicContact CD1-CE 3.78Å; L119-M123 HydrophobicContact CD1-CG 4.4Å; L119-M123 HydrophobicContact CD2-CE 4.05Å; L119-M123 HydrophobicContact CG-CE 3.75Å; L119-M123 HydrophobicContact CG-SD 4.31Å; L119-M123 WeakPolarHBondContact O-CB 3.34Å; L119-M123 VanDerWaalsContact O-CG 3.29Å; L119-M123 WeakPolarHBondContact O-CG 3.2Å; L119-M123 PolarHBondContact O-N 3.38Å
120L84.9Confident78Confident2 Ų243.4 Ų43.41%0.0124%0.243CC..Hα-helixtrans-61.3-44.3176.8-173.268.9000111.3I17 L98 W106 L116 M123 K124 A130 Y132I17-L120 HydrophobicContact CG2-CD2 3.76Å; L98-L120 HydrophobicContact CD1-CD1 3.81Å; W106-L120 HydrophobicContact CD2-CD2 4.39Å; W106-L120 HydrophobicContact CE3-CD2 4.13Å; W106-L120 HydrophobicContact CH2-CB 3.91Å; W106-L120 HydrophobicContact CH2-CD2 3.51Å; W106-L120 HydrophobicContact CH2-CG 4.26Å; W106-L120 HydrophobicContact CZ2-CD2 3.91Å; W106-L120 HydrophobicContact CZ3-CB 4.39Å; W106-L120 HydrophobicContact CZ3-CD2 3.69Å; L116-L120 WeakPolarHBondContact O-CB 3.29Å; L116-L120 PolarHBondContact O-N 3.32Å; L120-M123 PolarHBondContact O-N 3.21Å; L120-K124 WeakPolarHBondContact O-CG 3.35Å; L120-K124 PolarHBondContact O-N 3.29Å; L120-A130 HydrophobicContact CD1-CB 3.82Å; L120-Y132 HydrophobicContact CD2-CD1 4.13Å
121R81.5Confident79.7Confident102 Ų10240.4 Ų40.439%0.38522%0.221SC..Hα-helixtrans-60.5-51.6174.6-176.6178-67143.20.3111.1G117 L119 M123 K124 D125G117-R121 PolarHBondContact O-N 3.36Å; L119-R121 PolarHBondContact O-N 3.37Å; R121-M123 VanDerWaalsContact C-N 3.28Å; R121-M123 PolarHBondContact O-N 3.49Å; R121-K124 PolarHBondContact O-N 3.13Å; R121-K124 VanDerWaalsContact O-N 3.15Å; R121-D125 PolarHBondContact O-N 3.37Å
122K80.5Confident81.2Confident35 Ų3539.8 Ų39.815%0.15222%0.217CC..Hα-helixtrans-59.9-39.1-179.4-176.761.3176.1154.10112.2L67 G70 L72 V74 L118 L119 D125 E126L67-K122 HydrophobicContact CD1-CG 4.21Å; G70-K122 PolarHBondContact O-NZ 3.14Å; L72-K122 VanDerWaalsContact O-CE 3.23Å; L72-K122 WeakPolarHBondContact O-CE 2.86Å; V74-K122 HydrophobicContact CG2-CG 3.81Å; L118-K122 WeakPolarHBondContact O-CB 2.94Å; L118-K122 PolarHBondContact O-N 2.84Å; L119-K122 PolarHBondContact O-N 3.27Å; K122-D125 PolarHBondContact O-N 3.46Å; K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 IonicContact NZ-OE1 3.05Å; K122-E126 PolarHBondContact NZ-OE1 3.36Å; K122-E126 WeakPolarHBondContact O-CG 3.25Å; K122-E126 PolarHBondContact O-N 3.39Å
123M84Confident82.8Confident0 Ų039.3 Ų39.30%021%0.211CC..Hα-helixtrans-67.7-39177.9-78.3-176.3179.800112.5M38 V74 F87 I96 L98 L119 L120 R121 E126 G127 Y128 A130M38-M123 HydrophobicContact CE-CE 3.63Å; M38-M123 HydrophobicContact SD-CE 3.36Å; M38-M123 WeakPolarHBondContact SD-CE 3.36Å; M38-M123 HydrophobicContact SD-SD 4.42Å; V74-M123 HydrophobicContact CG1-CE 3.48Å; V74-M123 VanDerWaalsContact CG1-CE 3.48Å; V74-M123 HydrophobicContact CG1-CG 4.28Å; V74-M123 HydrophobicContact CG2-CG 4.02Å; F87-M123 HydrophobicContact CE2-CE 4.2Å; F87-M123 HydrophobicContact CZ-CE 4.26Å; I96-M123 HydrophobicContact CD1-SD 4.22Å; I96-M123 HydrophobicContact CG2-CE 4.44Å; I96-M123 HydrophobicContact CG2-SD 4Å; L98-M123 HydrophobicContact CD1-SD 3.84Å; L98-M123 HydrophobicContact CD2-CE 3.94Å; L98-M123 HydrophobicContact CD2-SD 3.88Å; L98-M123 HydrophobicContact CG-SD 4.33Å; L119-M123 HydrophobicContact CD1-CE 3.78Å; L119-M123 HydrophobicContact CD1-CG 4.4Å; L119-M123 HydrophobicContact CD2-CE 4.05Å; L119-M123 HydrophobicContact CG-CE 3.75Å; L119-M123 HydrophobicContact CG-SD 4.31Å; L119-M123 WeakPolarHBondContact O-CB 3.34Å; L119-M123 VanDerWaalsContact O-CG 3.29Å; L119-M123 WeakPolarHBondContact O-CG 3.2Å; L119-M123 PolarHBondContact O-N 3.38Å; L120-M123 PolarHBondContact O-N 3.21Å; R121-M123 VanDerWaalsContact C-N 3.28Å; R121-M123 PolarHBondContact O-N 3.49Å; M123-E126 CarbonylContact O-C 3.34Å; M123-E126 PolarHBondContact O-N 3.01Å; M123-G127 PolarHBondContact O-N 3.06Å; M123-Y128 HydrophobicContact CB-CD2 3.81Å; M123-Y128 HydrophobicContact CG-CD2 3.91Å; M123-Y128 WeakPolarHBondContact O-CD2 3.39Å; M123-Y128 PolarHBondContact O-N 3Å; M123-A130 HydrophobicContact CB-CB 3.73Å; M123-A130 HydrophobicContact SD-CB 4.03Å
124K82.9Confident84.1Confident82 Ų8240.2 Ų40.236%0.35721%0.207SC..Hα-helixtrans-66.8-41.8173.7-73.8-179.4176.2-172.70112.2L120 R121 E126 G127L120-K124 WeakPolarHBondContact O-CG 3.35Å; L120-K124 PolarHBondContact O-N 3.29Å; R121-K124 PolarHBondContact O-N 3.13Å; R121-K124 VanDerWaalsContact O-N 3.15Å; K124-E126 PolarHBondContact O-N 2.81Å; K124-G127 WeakPolarHBondContact O-CA 3.42Å; K124-G127 PolarHBondContact O-N 3.36Å
125D81.9Confident84.6Confident122 Ų12238.9 Ų38.965%0.65220%0.199SC*.Hα-helixtrans-60.7-33.4175.9-65.8-18000111.6R121 K122 G127R121-D125 PolarHBondContact O-N 3.37Å; K122-D125 PolarHBondContact O-N 3.46Å; D125-G127 VanDerWaalsContact C-N 3.3Å
126E81.2Confident85.2Confident63 Ų6336.8 Ų36.829%0.29419%0.186SC..THydrogen-bonded Turntrans-83.9-0.1174-70.5-172.4-169.600113.7K122 M123 K124 Y128K122-E126 WeakPolarHBondContact CE-OE1 3.47Å; K122-E126 IonicContact NZ-OE1 3.05Å; K122-E126 PolarHBondContact NZ-OE1 3.36Å; K122-E126 WeakPolarHBondContact O-CG 3.25Å; K122-E126 PolarHBondContact O-N 3.39Å; M123-E126 CarbonylContact O-C 3.34Å; M123-E126 PolarHBondContact O-N 3.01Å; K124-E126 PolarHBondContact O-N 2.81Å; E126-Y128 HydrophobicContact CB-CD2 3.91Å; E126-Y128 HydrophobicContact CB-CE2 3.4Å; E126-Y128 VanDerWaalsContact CB-CE2 3.4Å; E126-Y128 HydrophobicContact CG-CE2 4.31Å; E126-Y128 VanDerWaalsContact OE2-CE2 3.24Å; E126-Y128 WeakPolarHBondContact OE2-CE2 3.49Å; E126-Y128 PolarHBondContact OE2-OH 3Å
127G82Confident85.7Confident64 Ų6436.9 Ų36.966%0.6619%0.186SC*.THydrogen-bonded Turntrans8514.4173.400000115.9M123 K124 D125M123-G127 PolarHBondContact O-N 3.06Å; K124-G127 WeakPolarHBondContact O-CA 3.42Å; K124-G127 PolarHBondContact O-N 3.36Å; D125-G127 VanDerWaalsContact C-N 3.3Å
128Y86.6Confident86.1Confident33 Ų3339 Ų3913%0.12920%0.201CC..  trans-78.3152.2177.5-50.1-63.9000112.3V74 C91 K92 I96 M123 E126 A130V74-Y128 HydrophobicContact CG2-CE2 4.35Å; C91-Y128 HydrophobicContact CB-CD1 4.26Å; C91-Y128 HydrophobicContact CB-CE1 4.08Å; C91-Y128 WeakPolarHBondContact O-CD1 3.41Å; K92-Y128 HydrophobicContact CG-CE1 4.11Å; I96-Y128 HydrophobicContact CD1-CG 4.22Å; M123-Y128 HydrophobicContact CB-CD2 3.81Å; M123-Y128 HydrophobicContact CG-CD2 3.91Å; M123-Y128 WeakPolarHBondContact O-CD2 3.39Å; M123-Y128 PolarHBondContact O-N 3Å; E126-Y128 HydrophobicContact CB-CD2 3.91Å; E126-Y128 HydrophobicContact CB-CE2 3.4Å; E126-Y128 VanDerWaalsContact CB-CE2 3.4Å; E126-Y128 HydrophobicContact CG-CE2 4.31Å; E126-Y128 VanDerWaalsContact OE2-CE2 3.24Å; E126-Y128 WeakPolarHBondContact OE2-CE2 3.49Å; E126-Y128 PolarHBondContact OE2-OH 3Å; Y128-A130 VanDerWaalsContact C-N 3.26Å; Y128-A130 PolarHBondContact O-N 3.27Å
129K89.1Confident86.6Confident124 Ų12442 Ų4254%0.53921%0.213SC..EExtended strand (participates in β ladder)trans-79.871.4174.2-67.2177.8-175.81700110.7I96 F131I96-K129 PolarHBondContact N-O 3.18Å; K129-F131 HydrophobicContact CB-CE2 4.33Å
130A89.8Confident87.3Confident5 Ų542 Ų424%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-102.5134.5-173.500000113.3I96 L98 L120 M123 Y128I96-A130 HydrophobicContact CB-CB 4.36Å; I96-A130 CarbonylContact O-C 3.57Å; I96-A130 WeakPolarHBondContact O-CA 3.34Å; L98-A130 HydrophobicContact CD1-CB 3.96Å; L120-A130 HydrophobicContact CD1-CB 3.82Å; M123-A130 HydrophobicContact CB-CB 3.73Å; M123-A130 HydrophobicContact SD-CB 4.03Å; Y128-A130 VanDerWaalsContact C-N 3.26Å; Y128-A130 PolarHBondContact O-N 3.27Å
131F91.7Very high87.7Confident41 Ų4145.2 Ų45.218%0.1823%0.228CC..EExtended strand (participates in β ladder)trans-134.9153.1179.5-55.4-93.7000110.2A16 I17 K19 T95 I96 V97 L98 K129A16-F131 VanDerWaalsContact O-CD1 3.26Å; A16-F131 WeakPolarHBondContact O-CD1 3.4Å; A16-F131 WeakPolarHBondContact O-CE1 3.39Å; I17-F131 WeakPolarHBondContact O-CA 3.39Å; K19-F131 HydrophobicContact CD-CD1 4.49Å; K19-F131 HydrophobicContact CD-CG 4.49Å; K19-F131 HydrophobicContact CG-CB 3.8Å; K19-F131 HydrophobicContact CG-CD1 4.42Å; K19-F131 HydrophobicContact CG-CG 4.04Å; T95-F131 HydrophobicContact CG2-CD2 3.69Å; T95-F131 HydrophobicContact CG2-CE2 3.73Å; I96-F131 PolarHBondContact O-N 3.3Å; V97-F131 CarbonylContact C-O 3.6Å; V97-F131 WeakPolarHBondContact CA-O 3.43Å; L98-F131 PolarHBondContact N-O 3.07Å; K129-F131 HydrophobicContact CB-CE2 4.33Å
132Y90.8Very high88Confident18 Ų1844.3 Ų44.37%0.07124%0.243CC..EExtended strand (participates in β ladder)trans-97155.7168.977.2-84000111.9I17 S18 K19 L98 W106 L120 E134I17-Y132 HydrophobicContact CB-CE1 4.31Å; I17-Y132 HydrophobicContact CG2-CD1 3.95Å; I17-Y132 HydrophobicContact CG2-CE1 3.98Å; I17-Y132 VanDerWaalsContact O-CD1 3.23Å; I17-Y132 WeakPolarHBondContact O-CD1 3.48Å; I17-Y132 PolarHBondContact O-N 3.12Å; I17-Y132 VanDerWaalsContact O-N 3.12Å; S18-Y132 CarbonylContact C-O 3.39Å; S18-Y132 VanDerWaalsContact CA-O 3.29Å; S18-Y132 WeakPolarHBondContact CA-O 3.34Å; K19-Y132 PolarHBondContact N-O 3.42Å; L98-Y132 CarbonylContact O-C 3.54Å; L98-Y132 WeakPolarHBondContact O-CA 3.47Å; W106-Y132 HydrophobicContact CB-CD1 4.09Å; W106-Y132 HydrophobicContact CB-CE1 3.28Å; W106-Y132 HydrophobicContact CB-CE2 4.13Å; W106-Y132 VanDerWaalsContact CB-OH 3.31Å; W106-Y132 WeakPolarHBondContact CB-OH 3.1Å; W106-Y132 HydrophobicContact CD2-CD1 4.45Å; W106-Y132 HydrophobicContact CD2-CE1 4.42Å; W106-Y132 HydrophobicContact CE3-CD1 4.23Å; W106-Y132 HydrophobicContact CG-CD1 4.44Å; W106-Y132 AromaticContact CG-CE1 3.95Å; W106-Y132 HydrophobicContact CG-CE1 3.95Å; W106-Y132 PolarHBondContact N-OH 2.95Å; W106-Y132 VanDerWaalsContact N-OH 3.11Å; L120-Y132 HydrophobicContact CD2-CD1 4.13Å; Y132-E134 HydrophobicContact CE2-CG 4.16Å
133L91.9Very high88.6Confident0 Ų047.2 Ų47.20%026%0.257CS..EExtended strand (participates in β ladder)trans-87.4122.8175.6-171.263.9000111.5V21 L24 V97 L98 Y99 G135 G136 F140V21-L133 HydrophobicContact CG1-CD1 4.14Å; V21-L133 HydrophobicContact CG1-CD2 4.44Å; V21-L133 HydrophobicContact CG1-CG 4.19Å; L24-L133 HydrophobicContact CB-CD1 3.85Å; L24-L133 HydrophobicContact CD2-CD1 3.64Å; L24-L133 HydrophobicContact CD2-CD2 3.62Å; L24-L133 HydrophobicContact CD2-CG 4.25Å; L24-L133 HydrophobicContact CG-CD1 4.39Å; V97-L133 HydrophobicContact CG1-CB 4.05Å; V97-L133 HydrophobicContact CG1-CD1 4.43Å; L98-L133 PolarHBondContact O-N 3.45Å; Y99-L133 HydrophobicContact CD1-CD2 4.4Å; Y99-L133 HydrophobicContact CG-CD2 4.3Å; L133-G135 PolarHBondContact O-N 3.1Å; L133-G136 PolarHBondContact O-N 2.92Å; L133-F140 HydrophobicContact CD2-CB 4.08Å; L133-F140 HydrophobicContact CD2-CD2 4.26Å; L133-F140 HydrophobicContact CD2-CG 4.37Å
134E90.3Very high89.1Confident53 Ų5349.5 Ų49.525%0.24827%0.267CS..THydrogen-bonded Turntrans-69.8127.6178.5-62.5178-176.100112.1S18 K19 T20 V21 Y132 G136S18-E134 WeakPolarHBondContact CB-OE1 3.48Å; S18-E134 PolarHBondContact OG-OE1 3.11Å; K19-E134 PolarHBondContact O-N 2.96Å; T20-E134 WeakPolarHBondContact CG2-OE2 3.46Å; V21-E134 WeakPolarHBondContact CG1-O 3.47Å; Y132-E134 HydrophobicContact CE2-CG 4.16Å; E134-G136 VanDerWaalsContact C-N 3.29Å
135G85.3Confident89.4Confident7 Ų749.6 Ų49.67%0.07228%0.276CS..THydrogen-bonded Turntrans82.3-1.5-175.300000115S103 L133 K139S103-G135 CarbonylContact O-C 3.56Å; S103-G135 VanDerWaalsContact O-CA 3.22Å; S103-G135 WeakPolarHBondContact O-CA 3.26Å; S103-G135 PolarHBondContact O-N 3.3Å; L133-G135 PolarHBondContact O-N 3.1Å; G135-K139 VanDerWaalsContact O-CB 3.29Å; G135-K139 WeakPolarHBondContact O-CB 3.43Å; G135-K139 PolarHBondContact O-N 3.44Å
136G90.8Very high89.7Confident0 Ų048.5 Ų48.50%028%0.283CS..Hα-helixtrans61.9-163.9179.300000114D100 S103 L133 E134 F140D100-G136 CarbonylContact O-C 3.59Å; D100-G136 WeakPolarHBondContact O-CA 3.21Å; S103-G136 PolarHBondContact O-N 3.45Å; L133-G136 PolarHBondContact O-N 2.92Å; E134-G136 VanDerWaalsContact C-N 3.29Å; G136-F140 PolarHBondContact O-N 3.2Å
137F93.3Very high90.2Very high4 Ų446.8 Ų46.82%0.01828%0.276CS..Hα-helixtrans-61.3-43.3178.5-177.7-104.5000112.2R41 S49 H50 V51 Y99 D100 E101 K139 F140 Q141 C148R41-F137 VanDerWaalsContact CZ-CD1 3.5Å; R41-F137 VanDerWaalsContact CZ-CG 3.47Å; S49-F137 WeakPolarHBondContact O-CZ 3.4Å; H50-F137 VanDerWaalsContact CA-CE2 3.49Å; V51-F137 HydrophobicContact CG2-CD2 3.92Å; V51-F137 HydrophobicContact CG2-CE2 4.09Å; Y99-F137 HydrophobicContact CD2-CB 3.79Å; Y99-F137 HydrophobicContact CD2-CD2 4.47Å; Y99-F137 HydrophobicContact CE2-CB 3.8Å; Y99-F137 AromaticContact CE2-CD2 3.76Å; Y99-F137 HydrophobicContact CE2-CD2 3.76Å; Y99-F137 HydrophobicContact CE2-CG 4.13Å; D100-F137 PolarHBondContact O-N 2.92Å; E101-F137 PolarHBondContact O-N 3.45Å; F137-K139 VanDerWaalsContact C-N 3.31Å; F137-K139 PolarHBondContact O-N 3.4Å; F137-F140 PolarHBondContact O-N 3.08Å; F137-F140 VanDerWaalsContact O-N 3.09Å; F137-Q141 HydrophobicContact CD1-CB 4.39Å; F137-Q141 HydrophobicContact CE1-CB 3.98Å; F137-Q141 HydrophobicContact CE1-CG 4.23Å; F137-Q141 HydrophobicContact CE2-CB 4.46Å; F137-Q141 HydrophobicContact CZ-CB 4.01Å; F137-Q141 HydrophobicContact CZ-CG 4.2Å; F137-Q141 WeakPolarHBondContact O-CB 3.49Å; F137-Q141 PolarHBondContact O-N 3.44Å; F137-C148 HydrophobicContact CZ-CB 4.49Å
138S88.9Confident90.7Very high44 Ų4444.2 Ų44.231%0.30825%0.248SC..Hα-helixtrans-58.7-41.9-175.6178.10000112.4E101 A142E101-S138 VanDerWaalsContact O-CB 3.25Å; E101-S138 WeakPolarHBondContact O-CB 3.28Å; E101-S138 PolarHBondContact O-N 2.83Å; S138-A142 VanDerWaalsContact O-CB 3.31Å; S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 2.97Å; S138-A142 VanDerWaalsContact O-N 3.1Å
139K91.2Very high90.7Very high82 Ų8246.5 Ų46.536%0.35726%0.26SS..Hα-helixtrans-68.9-43.1175.7-172.9-179.7178.7-178.50111.7V21 G135 F137 A142 E143V21-K139 HydrophobicContact CG1-CB 4.33Å; V21-K139 HydrophobicContact CG1-CD 4.23Å; V21-K139 HydrophobicContact CG1-CG 4.16Å; V21-K139 HydrophobicContact CG2-CD 4.26Å; V21-K139 HydrophobicContact CG2-CG 4.32Å; G135-K139 VanDerWaalsContact O-CB 3.29Å; G135-K139 WeakPolarHBondContact O-CB 3.43Å; G135-K139 PolarHBondContact O-N 3.44Å; F137-K139 VanDerWaalsContact C-N 3.31Å; F137-K139 PolarHBondContact O-N 3.4Å; K139-A142 PolarHBondContact O-N 3.26Å; K139-E143 WeakPolarHBondContact CE-OE1 3.43Å; K139-E143 WeakPolarHBondContact CG-OE1 3.44Å; K139-E143 PolarHBondContact O-N 3.02Å; K139-E143 VanDerWaalsContact O-N 3.11Å
140F93.9Very high90.4Very high0 Ų043 Ų430%025%0.249CC..Hα-helixtrans-62-46.7179.5-172.1-88.7000111.6V21 L24 R25 L28 V51 L133 G136 F137 A142 E143 F144 L147V21-F140 HydrophobicContact CB-CB 4.49Å; V21-F140 HydrophobicContact CB-CD2 3.88Å; V21-F140 HydrophobicContact CG1-CB 3.87Å; V21-F140 HydrophobicContact CG1-CD2 4.01Å; V21-F140 HydrophobicContact CG1-CG 4.46Å; L24-F140 HydrophobicContact CB-CD2 4.47Å; L24-F140 HydrophobicContact CB-CE2 3.99Å; L24-F140 HydrophobicContact CD2-CD2 3.91Å; L24-F140 HydrophobicContact CD2-CE2 3.75Å; L24-F140 HydrophobicContact CD2-CZ 4.36Å; L24-F140 HydrophobicContact CG-CD2 4.39Å; L24-F140 HydrophobicContact CG-CE2 3.8Å; L24-F140 HydrophobicContact CG-CZ 4.4Å; R25-F140 HydrophobicContact CB-CE2 4.37Å; L28-F140 HydrophobicContact CD1-CE2 4.42Å; L28-F140 HydrophobicContact CD1-CZ 3.72Å; V51-F140 HydrophobicContact CB-CE1 4.4Å; V51-F140 HydrophobicContact CG1-CD1 4.46Å; V51-F140 HydrophobicContact CG1-CE1 3.86Å; V51-F140 HydrophobicContact CG1-CZ 4.11Å; V51-F140 HydrophobicContact CG2-CD1 3.64Å; V51-F140 HydrophobicContact CG2-CE1 3.88Å; V51-F140 HydrophobicContact CG2-CG 4.21Å; L133-F140 HydrophobicContact CD2-CB 4.08Å; L133-F140 HydrophobicContact CD2-CD2 4.26Å; L133-F140 HydrophobicContact CD2-CG 4.37Å; G136-F140 PolarHBondContact O-N 3.2Å; F137-F140 PolarHBondContact O-N 3.08Å; F137-F140 VanDerWaalsContact O-N 3.09Å; F140-A142 VanDerWaalsContact C-N 3.35Å; F140-A142 PolarHBondContact O-N 3.5Å; F140-E143 PolarHBondContact O-N 2.88Å; F140-F144 HydrophobicContact CD2-CD2 4.05Å; F140-F144 HydrophobicContact CE1-CB 4.28Å; F140-F144 AromaticContact CE2-CD2 3.95Å; F140-F144 HydrophobicContact CE2-CD2 3.95Å; F140-F144 HydrophobicContact CZ-CB 4.25Å; F140-F144 HydrophobicContact CZ-CD2 4.41Å; F140-F144 WeakPolarHBondContact O-CA 3.14Å; F140-F144 PolarHBondContact O-N 3.09Å; F140-L147 HydrophobicContact CE1-CB 3.99Å; F140-L147 HydrophobicContact CZ-CB 4.05Å; F140-L147 HydrophobicContact CZ-CD1 4.26Å
141Q93.3Very high89.1Confident71 Ų7149 Ų4933%0.33228%0.28SS..Hα-helixtrans-63.7-39177.9-173.9-176.651.400112S49 F137 P145S49-Q141 PolarHBondContact OG-NE2 3.04Å; F137-Q141 HydrophobicContact CD1-CB 4.39Å; F137-Q141 HydrophobicContact CE1-CB 3.98Å; F137-Q141 HydrophobicContact CE1-CG 4.23Å; F137-Q141 HydrophobicContact CE2-CB 4.46Å; F137-Q141 HydrophobicContact CZ-CB 4.01Å; F137-Q141 HydrophobicContact CZ-CG 4.2Å; F137-Q141 WeakPolarHBondContact O-CB 3.49Å; F137-Q141 PolarHBondContact O-N 3.44Å; Q141-P145 WeakPolarHBondContact O-CA 3.45Å; Q141-P145 WeakPolarHBondContact O-CB 3.1Å; Q141-P145 VanDerWaalsContact O-CD 3.32Å; Q141-P145 WeakPolarHBondContact O-CD 3.47Å
142A89.4Confident87.2Confident83 Ų8354.3 Ų54.369%0.68631%0.31SS*.Hα-helixtrans-66-37178.500000112.8S138 K139 F140S138-A142 VanDerWaalsContact O-CB 3.31Å; S138-A142 WeakPolarHBondContact O-CB 3.45Å; S138-A142 PolarHBondContact O-N 2.97Å; S138-A142 VanDerWaalsContact O-N 3.1Å; K139-A142 PolarHBondContact O-N 3.26Å; F140-A142 VanDerWaalsContact C-N 3.35Å; F140-A142 PolarHBondContact O-N 3.5Å
143E93.3Very high85.1Confident95 Ų9558.6 Ų58.644%0.44433%0.334SS..Hα-helixtrans-87.7-34.3-178.9-68-177.2-146.500112.8V21 K139 F140V21-E143 WeakPolarHBondContact CG2-OE2 3.39Å; K139-E143 WeakPolarHBondContact CE-OE1 3.43Å; K139-E143 WeakPolarHBondContact CG-OE1 3.44Å; K139-E143 PolarHBondContact O-N 3.02Å; K139-E143 VanDerWaalsContact O-N 3.11Å; F140-E143 PolarHBondContact O-N 2.88Å
144F92.8Very high82.7Confident48 Ų4862.2 Ų62.221%0.21137%0.372CS..  trans-135.759-172-48.4-60.9000113V21 R25 F140 A146 L147V21-F144 HydrophobicContact CB-CD2 4.38Å; V21-F144 HydrophobicContact CB-CE2 3.94Å; V21-F144 HydrophobicContact CG2-CE2 3.95Å; R25-F144 HydrophobicContact CB-CD1 4.46Å; R25-F144 HydrophobicContact CB-CD2 4.02Å; R25-F144 HydrophobicContact CB-CE2 4.1Å; R25-F144 HydrophobicContact CB-CG 4.21Å; R25-F144 HydrophobicContact CB-CZ 4.39Å; R25-F144 HydrophobicContact CG-CD1 3.93Å; R25-F144 HydrophobicContact CG-CD2 4.36Å; R25-F144 HydrophobicContact CG-CE1 4.17Å; R25-F144 HydrophobicContact CG-CG 4.06Å; R25-F144 HydrophobicContact CG-CZ 4.46Å; F140-F144 HydrophobicContact CD2-CD2 4.05Å; F140-F144 HydrophobicContact CE1-CB 4.28Å; F140-F144 AromaticContact CE2-CD2 3.95Å; F140-F144 HydrophobicContact CE2-CD2 3.95Å; F140-F144 HydrophobicContact CZ-CB 4.25Å; F140-F144 HydrophobicContact CZ-CD2 4.41Å; F140-F144 WeakPolarHBondContact O-CA 3.14Å; F140-F144 PolarHBondContact O-N 3.09Å; F144-A146 PolarHBondContact O-N 3.12Å; F144-A146 VanDerWaalsContact O-N 3.14Å; F144-L147 HydrophobicContact CB-CD1 4.38Å; F144-L147 PolarHBondContact O-N 3.09Å; F144-L147 VanDerWaalsContact O-N 3.12Å
145P89.9Confident80.2Confident84 Ų8465.4 Ų65.455%0.54540%0.4SS..G310 helixtrans-62.4-25.5-175.225.1-34.6000113.8Q141 L147 C148Q141-P145 WeakPolarHBondContact O-CA 3.45Å; Q141-P145 WeakPolarHBondContact O-CB 3.1Å; Q141-P145 VanDerWaalsContact O-CD 3.32Å; Q141-P145 WeakPolarHBondContact O-CD 3.47Å; P145-L147 PolarHBondContact O-N 3.26Å; P145-C148 PolarHBondContact O-N 3.09Å
146A89.3Confident77.9Confident99 Ų9969.5 Ų69.582%0.81843%0.427SS*.G310 helixtrans-72.4-14.2179.500000114.1F144 C148F144-A146 PolarHBondContact O-N 3.12Å; F144-A146 VanDerWaalsContact O-N 3.14Å; A146-C148 VanDerWaalsContact C-N 3.35Å
147L90.9Very high75Confident27 Ų2777.1 Ų77.114%0.14147%0.468CS..G310 helixtrans-101.319.1175.4-62.8176.7000111.5R25 L28 E29 E52 F140 F144 P145R25-L147 HydrophobicContact CB-CD1 4.11Å; R25-L147 HydrophobicContact CG-CD1 3.58Å; L28-L147 HydrophobicContact CB-CD1 4.46Å; L28-L147 HydrophobicContact CD1-CD1 4.49Å; E29-L147 HydrophobicContact CG-CD1 4.35Å; E52-L147 PolarHBondContact N-O 2.86Å; F140-L147 HydrophobicContact CE1-CB 3.99Å; F140-L147 HydrophobicContact CZ-CB 4.05Å; F140-L147 HydrophobicContact CZ-CD1 4.26Å; F144-L147 HydrophobicContact CB-CD1 4.38Å; F144-L147 PolarHBondContact O-N 3.09Å; F144-L147 VanDerWaalsContact O-N 3.12Å; P145-L147 PolarHBondContact O-N 3.26Å
148C91.4Very high72.1Confident11 Ų1182.5 Ų82.57%0.07451%0.506CS..EExtended strand (participates in β ladder)trans-113.5129.4173.9-64.80000109.5H50 F137 P145 A146H50-C148 CarbonylContact O-C 3.47Å; H50-C148 WeakPolarHBondContact O-CA 3.4Å; F137-C148 HydrophobicContact CZ-CB 4.49Å; P145-C148 PolarHBondContact O-N 3.09Å; A146-C148 VanDerWaalsContact C-N 3.35Å
149E87.9Confident69.5Low81 Ų8186.3 Ų86.338%0.37953%0.533SS..EExtended strand (participates in β ladder)trans-75.2139.8169.4-69.5177.6-142.300108.6S49 H50 E52 T53S49-E149 CarbonylContact C-O 3.51Å; S49-E149 WeakPolarHBondContact CA-O 3.46Å; S49-E149 WeakPolarHBondContact CB-O 3.12Å; S49-E149 PolarHBondContact OG-O 2.78Å; H50-E149 IonicContact CE1-OE2 2.76Å; H50-E149 PolarHBondContact N-O 3.12Å; H50-E149 IonicContact NE2-OE2 2.71Å; H50-E149 PolarHBondContact NE2-OE2 2.94Å; H50-E149 PolarHBondContact O-N 2.65Å; E52-E149 WeakPolarHBondContact CA-OE1 3.45Å; E52-E149 HydrophobicContact CB-CG 4.49Å; E52-E149 HydrophobicContact CG-CG 4.38Å; E52-E149 WeakPolarHBondContact CG-OE1 3.46Å; T53-E149 PolarHBondContact N-OE1 2.79Å; T53-E149 VanDerWaalsContact N-OE1 3.11Å
150T83.4Confident66.7Low51 Ų5187.1 Ų87.131%0.31355%0.549SS..EExtended strand (participates in β ladder)trans-131.1149.8173.670.30000109.3L152 D153T150-L152 PolarHBondContact O-N 2.9Å; T150-D153 PolarHBondContact O-N 3.35Å; T150-D153 VanDerWaalsContact O-N 3.09Å; T150-D153 PolarHBondContact OG1-OD2 2.81Å; T150-D153 VanDerWaalsContact OG1-OD2 3.12Å
151N60.9Low64Low129 Ų12992.5 Ų92.569%0.6959%0.586SS**THydrogen-bonded Turntrans-61.5-0.6179.3-101-22.8000114.9E47E47-N151 PolarHBondContact O-ND2 3.06Å
152L53Low61Low153 Ų15394.6 Ų94.680%0.80161%0.609SS**THydrogen-bonded Turntrans-86.6-18.1175-71.8164.3000113.1T150T150-L152 PolarHBondContact O-N 2.9Å
153D45.8Very low58.3Low108 Ų10896.5 Ų96.558%0.57862%0.617SS**SBendtrans-92.31.6-171.9-62.9-47.4000114.4T150 S155T150-D153 PolarHBondContact O-N 3.35Å; T150-D153 VanDerWaalsContact O-N 3.09Å; T150-D153 PolarHBondContact OG1-OD2 2.81Å; T150-D153 VanDerWaalsContact OG1-OD2 3.12Å; D153-S155 PolarHBondContact O-N 3.3Å; D153-S155 VanDerWaalsContact O-N 3.09Å
154G41.4Very low55.6Low77 Ų7797.4 Ų97.479%0.79463%0.631SS**THydrogen-bonded Turntrans-723.5179.300000116
155S38.5Very low52.4Low119 Ų119101.3 Ų101.383%0.83266%0.659SS**THydrogen-bonded Turntrans-11415.4-174-62.60000115.7D153D153-S155 PolarHBondContact O-N 3.3Å; D153-S155 VanDerWaalsContact O-N 3.09Å
156S36.1Very low49.6Very low93 Ų93103.8 Ų103.865%0.6567%0.673SS**SBendtrans-148.7116171.2510000114.4
157N31.5Very low46.8Very low161 Ų161103.8 Ų103.886%0.86167%0.673SS**  trans80.888.8161.3-65-11.9000119
158S31.4Very low43.8Very low117 Ų117110.7 Ų110.782%0.81870%0.704SS**  -150.3100.812350.60000111.3S160S158-S160 PolarHBondContact O-N 3.15Å
159S35Very low41Very low124 Ų124117 Ų11787%0.86774%0.742SS**  trans-799316451.80000109.5
160S31.8Very low38.5Very low99 Ų99121 Ų12169%0.69277%0.765SS**  trans-169.897.2150.853.30000111.2S158S158-S160 PolarHBondContact O-N 3.15Å
161S36.6Very low35.9Very low113 Ų113121.6 Ų121.679%0.7978%0.782SS**  trans28.899.1143.260.60000119.1
162S30.7Very low34.7Very low114 Ų114124.3 Ų124.380%0.79780%0.796SS**  165.9115118.255.40000109.8
163S33.4Very low33.8Very low123 Ų123121.3 Ų121.386%0.8680%0.801SS**  trans-59149.3173.4-41.80000111.9
164P36.1Very low33.3Very low114 Ų114119.5 Ų119.574%0.7481%0.809SS**  -136.1127.2125.821.8-2000113.9
165T25.7Very low32.7Very low131 Ų131123.6 Ų123.680%0.80481%0.811SS**  trans24.1109.313647.10000119.3A167T165-A167 PolarHBondContact O-N 3.33Å
166T30.2Very low32.6Very low135 Ų135129.6 Ų129.683%0.82882%0.816SS**  trans-56.7115153.7480000110.4Q168T166-Q168 PolarHBondContact O-N 3.28Å; T166-Q168 VanDerWaalsContact O-N 3.16Å
167A30.4Very low32.4Very low99 Ų99132.7 Ų132.782%0.81882%0.823SS**  trans-67.4110170.700000109.7T165 V169T165-A167 PolarHBondContact O-N 3.33Å; A167-V169 PolarHBondContact O-N 3.11Å
168Q28.5Very low32.3Very low172 Ų172130.3 Ų130.380%0.80482%0.819SS**  trans-64.9125.2167.8-68.7177.1-26.800109.6T166 L170T166-Q168 PolarHBondContact O-N 3.28Å; T166-Q168 VanDerWaalsContact O-N 3.16Å; Q168-L170 PolarHBondContact O-N 2.69Å
169V31.9Very low32.2Very low143 Ų143130.1 Ų130.187%0.86782%0.818SS**  trans-7797.1162.81780000107.9A167A167-V169 PolarHBondContact O-N 3.11Å
170L35.4Very low32Very low165 Ų165131.5 Ų131.586%0.86482%0.816SS**  trans-59.9134.1153.5-63.7161.5000106.9Q168Q168-L170 PolarHBondContact O-N 2.69Å
171G28.9Very low31.9Very low65 Ų65132 Ų13267%0.6782%0.819SS**  cis155.8115.78.200000105.9
172L36.3Very low31.8Very low186 Ų186131.5 Ų131.597%0.97482%0.816SS**SBendtrans-142.319.9163.4-117.2135.4000111.9G174L172-G174 VanDerWaalsContact C-N 3.27Å; L172-G174 PolarHBondContact O-N 2.73Å
173G34.2Very low32.1Very low89 Ų89133.8 Ų133.892%0.91882%0.819SS**  trans-89.133.3174.400000113.9
174G35.3Very low32.4Very low71 Ų71135.9 Ų135.973%0.73282%0.819SS**  trans-113.243.2-168.500000115.3L172L172-G174 VanDerWaalsContact C-N 3.27Å; L172-G174 PolarHBondContact O-N 2.73Å
175L29.3Very low32.6Very low163 Ų163138.9 Ų138.985%0.85382%0.823SS**  trans-144.597.5163.6-95165.3000109.6
176R35.3Very low33.1Very low245 Ų245138.1 Ų138.193%0.92582%0.823SS**  trans-130.4125.9154.3-66.5-165-178.4-170.62108S178R176-S178 PolarHBondContact O-N 2.7Å
177I32.7Very low33.6Very low157 Ų157138.8 Ų138.881%0.80582%0.822SS**  trans-68.1122.4178.8-68.4169.3000107.5
178S28.7Very low34Very low111 Ų111141.8 Ų141.878%0.77682%0.822SS**  trans-65.4138.8172.7-52.30000110.5R176R176-S178 PolarHBondContact O-N 2.7Å
179S29.5Very low34.2Very low114 Ų114141.1 Ų141.180%0.79782%0.824SS**  trans-135.8126.6155.5-67.90000107.4
180D31.6Very low35Very low152 Ų152139.2 Ų139.281%0.81382%0.815SS**  trans-55.7151.2-168.6-66.5-48000115.5
181S30.2Very low34.9Very low110 Ų110136.4 Ų136.477%0.76981%0.809SS**  147.4128.1106.7-73.60000114.7
182S33.9Very low35.2Very low103 Ų103138.8 Ų138.872%0.7282%0.815SS**  trans71.3102.1151.2590000122
183D36.2Very low35.3Very low161 Ų161134.2 Ų134.286%0.86180%0.804SS**  39.5116.7107.6-52.3-25.2000120.3
184I39.6Very low35.6Very low167 Ų167136 Ų13686%0.85680%0.797SS**  -169.1130.3119.1-158.980.2000109.9
185E40.2Very low35.7Very low178 Ų178140.3 Ų140.383%0.83280%0.804SS**  trans-69.7146.5168.4-79.2172.5110.100111.7
186S36.7Very low36.4Very low114 Ų114137.9 Ų137.980%0.79780%0.8SS**  -174.4118.212627.20000111.7
187D40.2Very low36.6Very low150 Ų150134.5 Ų134.580%0.80280%0.801SS**  trans-56.1144.5154.2-68.9-51.1000110.8
188I39.8Very low36.8Very low162 Ų162129.9 Ų129.983%0.83179%0.791SS**  trans-176.5117.2141.1-85.5142000108.2
189D33.6Very low37.4Very low157 Ų157130.4 Ų130.484%0.8480%0.795SS**  trans-111.1146.4146.3-100.9-31.4000105.4
190P47.3Very low37.9Very low104 Ų104130.5 Ų130.568%0.67579%0.793SS**  -158.8158.673.238.7-16.5000119.2
191S34.3Very low38.1Very low106 Ų106130.7 Ų130.774%0.74179%0.793SS**  trans75.6146.2136.872.20000123.9
192S34.5Very low38.5Very low115 Ų115130.9 Ų130.980%0.80479%0.794SS**  trans85.2104.6166740000116.2
193A38.4Very low38.5Very low89 Ų89132.5 Ų132.574%0.73680%0.795SS**  94.5132.768.500000112.4
194T41.7Very low38.6Very low127 Ų127130 Ų13078%0.77979%0.787SS**  trans71.3107.9173.373.20000117
195D35.3Very low38.8Very low161 Ų161129.4 Ų129.486%0.86178%0.781SS**  -173.7166.787.7-106.6-27.6000111.6
196S44.2Very low39.5Very low112 Ų112124.3 Ų124.378%0.78376%0.764SS**  trans-68161.2-166.8-590000115.1
197D40.1Very low40.9Very low175 Ų175122.5 Ų122.594%0.93675%0.751SS**  trans96.7133.4151.8-143.29.7000118
198G38.1Very low42.7Very low59 Ų59119 Ų11961%0.60873%0.729SS**  trans91.787.717200000116P200G198-P200 WeakPolarHBondContact O-CD 3.28Å
199S39.3Very low45.1Very low123 Ų123111.4 Ų111.486%0.8669%0.69SS**  trans-53.1125.7157.8-51.90000109.7L201S199-L201 PolarHBondContact O-N 2.99Å
200P40.9Very low47.9Very low115 Ų115104.5 Ų104.575%0.74765%0.653SS**  trans-78.9122.8176.4-0.516.8000109.8G198G198-P200 WeakPolarHBondContact O-CD 3.28Å
201L35Very low50.3Low156 Ų156103.6 Ų103.682%0.81764%0.64SS**  trans70.883.7144-57.4161.5000115.5S199 N203S199-L201 PolarHBondContact O-N 2.99Å; L201-N203 PolarHBondContact O-N 3.39Å
202S39.7Very low53.3Low114 Ų11498.6 Ų98.680%0.79761%0.605SS**  trans-38.7112.8134.3-51.50000107.9P204S202-P204 WeakPolarHBondContact O-CD 3.44Å
203N32.7Very low56.3Low137 Ų13794.6 Ų94.673%0.73358%0.575SS**  trans-51.9114.1164.6-152.621000105L201 Q205L201-N203 PolarHBondContact O-N 3.39Å; N203-Q205 VanDerWaalsContact C-N 3.3Å; N203-Q205 PolarHBondContact O-N 2.67Å
204P38.8Very low59.1Low108 Ų10894.1 Ų94.170%0.70156%0.564SS**  trans-64.7102.6-17725.3-32.1000105.8S202 P206S202-P204 WeakPolarHBondContact O-CD 3.44Å; P204-P206 VanDerWaalsContact O-N 3.11Å
205Q44.3Very low61.7Low155 Ų15591.3 Ų91.372%0.72454%0.542SS*.PPolyproline II helixtrans-50.8123.5165.8-74.8-69.6-34.600105N203 S207N203-Q205 VanDerWaalsContact C-N 3.3Å; N203-Q205 PolarHBondContact O-N 2.67Å; Q205-S207 PolarHBondContact O-N 2.84Å; Q205-S207 VanDerWaalsContact O-N 3.09Å
206P54.1Low64.8Low71 Ų7183.6 Ų83.646%0.46150%0.501SS..PPolyproline II helixtrans-54.8126179.920.2-29.7000107.6P204 F208P204-P206 VanDerWaalsContact O-N 3.11Å; P206-F208 HydrophobicContact CG-CE2 4.38Å; P206-F208 VanDerWaalsContact O-CD2 3.27Å; P206-F208 WeakPolarHBondContact O-CD2 3.34Å; P206-F208 PolarHBondContact O-N 3.07Å
207S66.8Low67.4Low77 Ų7779 Ų7954%0.53847%0.466SS..PPolyproline II helixtrans-55.9123.4177.252.20000108.2Q205 P209 Y233Q205-S207 PolarHBondContact O-N 2.84Å; Q205-S207 VanDerWaalsContact O-N 3.09Å; S207-P209 CarbonylContact O-C 3.43Å; S207-Y233 WeakPolarHBondContact CB-OH 2.94Å; S207-Y233 PolarHBondContact OG-OH 3.47Å
208F77.9Confident70.1Confident76 Ų7670.7 Ų70.733%0.33342%0.422SS..SBendtrans-91.7140.7174-79.2-79.4000109.4P206 V210 K329P206-F208 HydrophobicContact CG-CE2 4.38Å; P206-F208 VanDerWaalsContact O-CD2 3.27Å; P206-F208 WeakPolarHBondContact O-CD2 3.34Å; P206-F208 PolarHBondContact O-N 3.07Å; F208-V210 HydrophobicContact CD1-CG2 3.88Å; F208-V210 HydrophobicContact CE1-CG2 3.6Å; F208-V210 HydrophobicContact CZ-CG2 4.31Å; F208-K329 HydrophobicContact CE1-CD 4.41Å
209P89.4Confident72.9Confident2 Ų267.9 Ų67.91%0.01339%0.393CS..SBendcis-75.7155.4133.7-38.3000113.3S207 Y217 D223 V229 Y233 I235 L292S207-P209 CarbonylContact O-C 3.43Å; P209-Y217 HydrophobicContact CG-CD1 4.23Å; P209-Y217 HydrophobicContact CG-CG 4.37Å; P209-D223 HydrophobicContact CB-CB 4.32Å; P209-V229 HydrophobicContact CG-CG1 4.26Å; P209-Y233 HydrophobicContact CG-CD2 4.31Å; P209-I235 HydrophobicContact CG-CD1 4.09Å; P209-L292 HydrophobicContact CB-CD1 3.68Å; P209-L292 HydrophobicContact CG-CD1 4.16Å
210V93.9Very high75.5Confident12 Ų1263.2 Ų63.27%0.07336%0.36CS..EExtended strand (participates in β ladder)trans-81.6123.7-177.6179.70000110.1F208 I212 Y217 L218 K328 K329F208-V210 HydrophobicContact CD1-CG2 3.88Å; F208-V210 HydrophobicContact CE1-CG2 3.6Å; F208-V210 HydrophobicContact CZ-CG2 4.31Å; V210-I212 HydrophobicContact CG1-CD1 4.02Å; V210-I212 PolarHBondContact O-N 3.18Å; V210-Y217 CarbonylContact O-C 3.35Å; V210-Y217 WeakPolarHBondContact O-CA 3.49Å; V210-L218 PolarHBondContact N-O 3.38Å; V210-L218 PolarHBondContact O-N 2.79Å; V210-K328 HydrophobicContact CG1-CB 3.87Å; V210-K329 HydrophobicContact CG2-CB 4.46Å; V210-K329 HydrophobicContact CG2-CD 4.42Å
211E96.9Very high78Confident86 Ų8658.6 Ų58.640%0.40233%0.332SS..EExtended strand (participates in β ladder)trans-76.2111.9174.3-168.1-179.8-157.400111.4L213 P214 H215 Y217 K328E211-L213 VanDerWaalsContact CG-O 3.26Å; E211-L213 WeakPolarHBondContact CG-O 3.46Å; E211-P214 VanDerWaalsContact OE1-CA 3.31Å; E211-P214 WeakPolarHBondContact OE1-CA 3.5Å; E211-H215 PolarHBondContact OE1-N 3.29Å; E211-Y217 HydrophobicContact CB-CD1 3.76Å; E211-Y217 HydrophobicContact CB-CE1 3.63Å; E211-Y217 HydrophobicContact CG-CD1 4.05Å; E211-Y217 HydrophobicContact CG-CE1 3.71Å; E211-K328 WeakPolarHBondContact O-CD 3.46Å; E211-K328 PolarHBondContact O-NZ 3.4Å
212I97.3Very high80.8Confident1 Ų159.1 Ų59.11%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-86.1-43.4-178.9-58.6-59.9000111.4V210 L216 L218 T306 L310 V325 K328V210-I212 HydrophobicContact CG1-CD1 4.02Å; V210-I212 PolarHBondContact O-N 3.18Å; I212-L216 HydrophobicContact CB-CD2 4.44Å; I212-L216 HydrophobicContact CB-CG 4.36Å; I212-L216 PolarHBondContact N-O 3.31Å; I212-L218 HydrophobicContact CD1-CB 4.18Å; I212-L218 HydrophobicContact CD1-CD2 4.17Å; I212-L218 HydrophobicContact CG1-CB 3.72Å; I212-L218 HydrophobicContact CG1-CD2 4.4Å; I212-T306 HydrophobicContact CB-CG2 4.33Å; I212-T306 HydrophobicContact CG1-CG2 4.07Å; I212-T306 HydrophobicContact CG2-CG2 3.95Å; I212-L310 HydrophobicContact CG2-CD1 3.97Å; I212-L310 HydrophobicContact CG2-CD2 4.29Å; I212-V325 HydrophobicContact CD1-CG1 4.05Å; I212-V325 HydrophobicContact CG2-CG2 4.28Å; I212-K328 VanDerWaalsContact C-NZ 3.35Å; I212-K328 HydrophobicContact CD1-CB 4.07Å; I212-K328 HydrophobicContact CD1-CD 4.17Å; I212-K328 WeakPolarHBondContact O-CE 3.37Å; I212-K328 PolarHBondContact O-NZ 3.45Å
213L96.6Very high83.3Confident30 Ų3054.5 Ų54.516%0.15729%0.294CS..EExtended strand (participates in β ladder)trans-138.9164.7170.2-69.1178.7000108.1E211 H215 L216 Y309 L310 L314E211-L213 VanDerWaalsContact CG-O 3.26Å; E211-L213 WeakPolarHBondContact CG-O 3.46Å; L213-H215 PolarHBondContact O-N 3.46Å; L213-L216 HydrophobicContact CB-CB 4.15Å; L213-L216 HydrophobicContact CB-CD2 4.45Å; L213-L216 HydrophobicContact CD1-CD2 4.44Å; L213-L216 PolarHBondContact N-O 3.06Å; L213-L216 PolarHBondContact O-N 3.33Å; L213-Y309 HydrophobicContact CD1-CE1 4.29Å; L213-L310 HydrophobicContact CD1-CD2 3.43Å; L213-L310 VanDerWaalsContact CD1-CD2 3.43Å; L213-L310 HydrophobicContact CD2-CD2 4.49Å; L213-L310 HydrophobicContact CG-CD2 3.86Å; L213-L314 HydrophobicContact CD1-CD1 4.23Å; L213-L314 HydrophobicContact CD2-CD1 4.43Å
214P97.1Very high86.3Confident79 Ų7948.3 Ų48.351%0.51326%0.261SS..THydrogen-bonded Turntrans-46.6120.9170.3-30.436.8000111.5E211 L216 R285E211-P214 VanDerWaalsContact OE1-CA 3.31Å; E211-P214 WeakPolarHBondContact OE1-CA 3.5Å; P214-L216 VanDerWaalsContact C-N 3.28Å; P214-L216 PolarHBondContact O-N 3.09Å; P214-R285 PolarHBondContact O-NE 2.95Å; P214-R285 VanDerWaalsContact O-NE 3.09Å; P214-R285 PolarHBondContact O-NH2 3.07Å
215H98.1Very high88.9Confident68 Ų6846.5 Ų46.532%0.31525%0.248SC..THydrogen-bonded Turntrans66.914.2-178.2-48.9-68.6000116.3E211 L213 R285 V291E211-H215 PolarHBondContact OE1-N 3.29Å; L213-H215 PolarHBondContact O-N 3.46Å; H215-R285 HydrophobicContact CB-CG 4.31Å; H215-V291 WeakPolarHBondContact O-CG1 3.49Å; H215-V291 PolarHBondContact O-N 3.19Å
216L98.7Very high91.3Very high0 Ų042.1 Ų42.10%023%0.23CC..EExtended strand (participates in β ladder)trans-120.9112.6173.9172.960.1000110I212 L213 P214 I281 V291 V293 T306 Y309I212-L216 HydrophobicContact CB-CD2 4.44Å; I212-L216 HydrophobicContact CB-CG 4.36Å; I212-L216 PolarHBondContact N-O 3.31Å; L213-L216 HydrophobicContact CB-CB 4.15Å; L213-L216 HydrophobicContact CB-CD2 4.45Å; L213-L216 HydrophobicContact CD1-CD2 4.44Å; L213-L216 PolarHBondContact N-O 3.06Å; L213-L216 PolarHBondContact O-N 3.33Å; P214-L216 VanDerWaalsContact C-N 3.28Å; P214-L216 PolarHBondContact O-N 3.09Å; L216-I281 HydrophobicContact CD1-CG2 3.94Å; L216-I281 HydrophobicContact CD2-CG2 4.48Å; L216-V291 HydrophobicContact CD1-CG1 3.91Å; L216-V293 HydrophobicContact CD1-CG2 3.84Å; L216-T306 HydrophobicContact CD2-CG2 4.45Å; L216-Y309 HydrophobicContact CD2-CD1 3.56Å; L216-Y309 HydrophobicContact CD2-CE1 3.75Å
217Y98.7Very high93.2Very high15 Ų1541.7 Ų41.76%0.05922%0.223CC..EExtended strand (participates in β ladder)trans-114.1140.3-176.9-58.6-89.2000111.1P209 V210 E211 Y233 I235 V291 L292 V293P209-Y217 HydrophobicContact CG-CD1 4.23Å; P209-Y217 HydrophobicContact CG-CG 4.37Å; V210-Y217 CarbonylContact O-C 3.35Å; V210-Y217 WeakPolarHBondContact O-CA 3.49Å; E211-Y217 HydrophobicContact CB-CD1 3.76Å; E211-Y217 HydrophobicContact CB-CE1 3.63Å; E211-Y217 HydrophobicContact CG-CD1 4.05Å; E211-Y217 HydrophobicContact CG-CE1 3.71Å; Y217-Y233 AromaticContact CE1-CD1 3.68Å; Y217-Y233 HydrophobicContact CE1-CD1 3.68Å; Y217-Y233 HydrophobicContact CE1-CE1 4.43Å; Y217-Y233 AromaticContact CE1-CG 3.94Å; Y217-Y233 HydrophobicContact CE1-CG 3.94Å; Y217-Y233 PolarHBondContact OH-O 2.81Å; Y217-I235 HydrophobicContact CD2-CD1 3.97Å; Y217-I235 HydrophobicContact CD2-CG1 3.79Å; Y217-I235 HydrophobicContact CE2-CD1 4.45Å; Y217-I235 HydrophobicContact CE2-CG1 4.01Å; Y217-I235 HydrophobicContact CG-CD1 4.14Å; Y217-I235 HydrophobicContact CG-CG1 4.46Å; Y217-V291 PolarHBondContact N-O 3.47Å; Y217-L292 WeakPolarHBondContact O-CA 3.48Å; Y217-V293 PolarHBondContact O-N 3.41Å
218L98.5Very high94.5Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-114.4126.1177.1171.564.6000109.6V210 I212 S302 V303 V325 K329V210-L218 PolarHBondContact N-O 3.38Å; V210-L218 PolarHBondContact O-N 2.79Å; I212-L218 HydrophobicContact CD1-CB 4.18Å; I212-L218 HydrophobicContact CD1-CD2 4.17Å; I212-L218 HydrophobicContact CG1-CB 3.72Å; I212-L218 HydrophobicContact CG1-CD2 4.4Å; L218-S302 WeakPolarHBondContact CD1-OG 3.49Å; L218-V303 HydrophobicContact CD1-CG2 4.25Å; L218-V303 HydrophobicContact CD2-CG2 3.88Å; L218-V325 HydrophobicContact CD2-CG1 3.75Å; L218-K329 HydrophobicContact CD2-CD 3.87Å; L218-K329 HydrophobicContact CG-CD 4.37Å
219G95.5Very high95.2Very high1 Ų141.1 Ų41.11%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-149.7-170.7-176.300000115.6D223 V293 H294 G298G219-D223 WeakPolarHBondContact CA-OD2 3.38Å; G219-V293 PolarHBondContact N-O 2.82Å; G219-V293 VanDerWaalsContact N-O 3.1Å; G219-H294 WeakPolarHBondContact O-CA 3.49Å; G219-G298 WeakPolarHBondContact O-CA 3.4Å
220C94.9Very high95.4Very high24 Ų2441 Ų4116%0.16222%0.218CC..  trans-116-177.5179.873.40000111.4K222 D223 S224 C295 L296C220-K222 VanDerWaalsContact C-N 3.26Å; C220-K222 PolarHBondContact O-N 2.86Å; C220-D223 PolarHBondContact N-OD2 2.68Å; C220-D223 PolarHBondContact O-N 3.47Å; C220-D223 PolarHBondContact SG-OD2 2.79Å; C220-S224 PolarHBondContact O-N 3.27Å; C220-C295 CarbonylContact C-O 3.55Å; C220-L296 WeakPolarHBondContact CB-O 3.41Å
221A93.8Very high95.5Very high18 Ų1845.3 Ų45.315%0.14924%0.237CC..THydrogen-bonded Turntrans-63.5-30.6-179.400000113.5S224 T225 L245 C295 L296A221-S224 WeakPolarHBondContact CA-OG 3.22Å; A221-S224 PolarHBondContact O-N 2.83Å; A221-S224 PolarHBondContact O-OG 3.45Å; A221-T225 PolarHBondContact O-N 3.07Å; A221-T225 PolarHBondContact O-OG1 2.62Å; A221-L245 HydrophobicContact CB-CD1 3.57Å; A221-C295 PolarHBondContact N-O 3.11Å; A221-L296 HydrophobicContact CB-CD1 4.13Å; A221-L296 PolarHBondContact N-O 2.95Å
222K93.6Very high95.3Very high167 Ų16748.1 Ų48.173%0.72625%0.25SC*.THydrogen-bonded Turntrans-65.3-45.6177.3-63.3-177.6-179.9179.90110.1C220 S224 T225 N226C220-K222 VanDerWaalsContact C-N 3.26Å; C220-K222 PolarHBondContact O-N 2.86Å; K222-S224 VanDerWaalsContact C-N 3.31Å; K222-S224 PolarHBondContact O-N 3.41Å; K222-T225 PolarHBondContact O-N 3.25Å; K222-T225 VanDerWaalsContact O-N 3.13Å; K222-T225 PolarHBondContact O-OG1 3.04Å; K222-N226 PolarHBondContact O-N 3.32Å
223D92.3Very high95.2Very high18 Ų1850.7 Ų50.710%0.09626%0.26CS..G310 helixtrans-61.7-39.5179.4-46.2-34.4000111.4P209 G219 C220 T225 N226 L292P209-D223 HydrophobicContact CB-CB 4.32Å; G219-D223 WeakPolarHBondContact CA-OD2 3.38Å; C220-D223 PolarHBondContact N-OD2 2.68Å; C220-D223 PolarHBondContact O-N 3.47Å; C220-D223 PolarHBondContact SG-OD2 2.79Å; D223-T225 PolarHBondContact O-N 3.45Å; D223-N226 PolarHBondContact O-N 2.66Å; D223-L292 HydrophobicContact CB-CD2 4.34Å
224S94.9Very high95.2Very high6 Ų651 Ų514%0.04227%0.27CS..G310 helixtrans-69.5-12.4179.664.10000114.9C220 A221 K222 H294C220-S224 PolarHBondContact O-N 3.27Å; A221-S224 WeakPolarHBondContact CA-OG 3.22Å; A221-S224 PolarHBondContact O-N 2.83Å; A221-S224 PolarHBondContact O-OG 3.45Å; K222-S224 VanDerWaalsContact C-N 3.31Å; K222-S224 PolarHBondContact O-N 3.41Å; S224-H294 PolarHBondContact OG-CE1 3.34Å; S224-H294 VanDerWaalsContact OG-CE1 3.24Å; S224-H294 PolarHBondContact OG-ND1 3.3Å
225T94.4Very high95.3Very high70 Ų7047.2 Ų47.243%0.42925%0.246SC..G310 helixtrans-111.31.2-179.256.50000112.9A221 K222 D223 L248 F249A221-T225 PolarHBondContact O-N 3.07Å; A221-T225 PolarHBondContact O-OG1 2.62Å; K222-T225 PolarHBondContact O-N 3.25Å; K222-T225 VanDerWaalsContact O-N 3.13Å; K222-T225 PolarHBondContact O-OG1 3.04Å; D223-T225 PolarHBondContact O-N 3.45Å; T225-L248 HydrophobicContact CG2-CB 4.37Å; T225-L248 HydrophobicContact CG2-CD2 3.84Å; T225-F249 WeakPolarHBondContact O-CZ 3.05Å
226N93.6Very high95.2Very high63 Ų6347.1 Ų47.134%0.33724%0.244SC..  trans-97.9100.6180-173.2-28.9000110.2K222 D223 D228 V229 L230K222-N226 PolarHBondContact O-N 3.32Å; D223-N226 PolarHBondContact O-N 2.66Å; N226-D228 PolarHBondContact O-N 2.97Å; N226-D228 PolarHBondContact OD1-N 3.09Å; N226-V229 HydrophobicContact CB-CB 4.04Å; N226-V229 HydrophobicContact CB-CG2 4.19Å; N226-V229 VanDerWaalsContact CG-CG2 3.43Å; N226-V229 VanDerWaalsContact ND2-CG2 3.32Å; N226-V229 WeakPolarHBondContact ND2-CG2 3.5Å; N226-V229 PolarHBondContact O-N 2.91Å; N226-V229 PolarHBondContact OD1-N 2.91Å; N226-V229 VanDerWaalsContact OD1-N 3.13Å; N226-L230 VanDerWaalsContact O-CG 3.23Å; N226-L230 WeakPolarHBondContact O-CG 3.48Å; N226-L230 PolarHBondContact O-N 2.86Å; N226-L230 VanDerWaalsContact O-N 3.08Å
227L94.7Very high95.2Very high62 Ų6247.8 Ų47.833%0.32525%0.247SC..Hα-helixtrans-62.4-41.8-177.1-172.465.9000112.3V229 L230 E231 F249 F255L227-V229 VanDerWaalsContact C-N 3.32Å; L227-V229 PolarHBondContact O-N 2.98Å; L227-L230 PolarHBondContact O-N 2.96Å; L227-L230 VanDerWaalsContact O-N 3.15Å; L227-E231 HydrophobicContact CG-CG 4.49Å; L227-E231 WeakPolarHBondContact O-CG 3.27Å; L227-E231 PolarHBondContact O-N 3.28Å; L227-F249 HydrophobicContact CB-CE1 4.36Å; L227-F249 HydrophobicContact CB-CZ 3.98Å; L227-F249 HydrophobicContact CD1-CD1 4.44Å; L227-F249 HydrophobicContact CD1-CE1 4.3Å; L227-F249 HydrophobicContact CD1-CE2 4.5Å; L227-F249 HydrophobicContact CD1-CZ 4.33Å; L227-F255 HydrophobicContact CD1-CE2 3.69Å; L227-F255 HydrophobicContact CD1-CZ 3.63Å
228D93.6Very high95.2Very high120 Ų12047 Ų4764%0.64224%0.244SC*.Hα-helixtrans-59.7-45.1-178.7-56.6-40.9000110.9N226 E231 E232N226-D228 PolarHBondContact O-N 2.97Å; N226-D228 PolarHBondContact OD1-N 3.09Å; D228-E231 PolarHBondContact O-N 3.32Å; D228-E232 VanDerWaalsContact O-CB 3.3Å; D228-E232 WeakPolarHBondContact O-CB 3.11Å; D228-E232 PolarHBondContact O-N 3.32Å
229V91.8Very high95.3Very high22 Ų2247 Ų4713%0.13324%0.244CC..Hα-helixtrans-65.6-41.4176.9168.30000111.4P209 N226 L227 E231 E232 Y233P209-V229 HydrophobicContact CG-CG1 4.26Å; N226-V229 HydrophobicContact CB-CB 4.04Å; N226-V229 HydrophobicContact CB-CG2 4.19Å; N226-V229 VanDerWaalsContact CG-CG2 3.43Å; N226-V229 VanDerWaalsContact ND2-CG2 3.32Å; N226-V229 WeakPolarHBondContact ND2-CG2 3.5Å; N226-V229 PolarHBondContact O-N 2.91Å; N226-V229 PolarHBondContact OD1-N 2.91Å; N226-V229 VanDerWaalsContact OD1-N 3.13Å; L227-V229 VanDerWaalsContact C-N 3.32Å; L227-V229 PolarHBondContact O-N 2.98Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.45Å; V229-E232 PolarHBondContact O-N 2.88Å; V229-Y233 HydrophobicContact CG1-CD2 3.84Å; V229-Y233 HydrophobicContact CG1-CE2 3.99Å; V229-Y233 VanDerWaalsContact O-CD2 3.22Å; V229-Y233 WeakPolarHBondContact O-CD2 3.34Å; V229-Y233 PolarHBondContact O-N 3.34Å
230L95.5Very high95.4Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-63-40.5177.7-67.4170.3000111.5N226 L227 G234 I235 I238 F249 F255 L292N226-L230 VanDerWaalsContact O-CG 3.23Å; N226-L230 WeakPolarHBondContact O-CG 3.48Å; N226-L230 PolarHBondContact O-N 2.86Å; N226-L230 VanDerWaalsContact O-N 3.08Å; L227-L230 PolarHBondContact O-N 2.96Å; L227-L230 VanDerWaalsContact O-N 3.15Å; L230-G234 PolarHBondContact O-N 3.11Å; L230-I235 HydrophobicContact CB-CB 4.4Å; L230-I235 HydrophobicContact CD2-CB 3.91Å; L230-I235 HydrophobicContact CD2-CD1 3.95Å; L230-I235 HydrophobicContact CD2-CG2 3.64Å; L230-I235 WeakPolarHBondContact O-CB 3.43Å; L230-I235 PolarHBondContact O-N 2.96Å; L230-I238 HydrophobicContact CD1-CD1 3.87Å; L230-I238 HydrophobicContact CD2-CD1 4.02Å; L230-I238 HydrophobicContact CD2-CG1 4.47Å; L230-F249 HydrophobicContact CD1-CD2 3.79Å; L230-F249 HydrophobicContact CD1-CE2 3.63Å; L230-F255 HydrophobicContact CB-CE1 3.93Å; L230-F255 HydrophobicContact CB-CZ 4.17Å; L230-F255 HydrophobicContact CD1-CE1 4.01Å; L230-F255 HydrophobicContact CD1-CZ 4.19Å; L230-F255 HydrophobicContact CG-CE1 4.48Å; L230-L292 HydrophobicContact CD2-CD2 3.88Å
231E94.3Very high95.6Very high102 Ų10245.9 Ų45.948%0.47724%0.236SC..Hα-helixtrans-69.6-45.4176.7-72.1-178-173.400112.4L227 D228 V229 Y233 G234L227-E231 HydrophobicContact CG-CG 4.49Å; L227-E231 WeakPolarHBondContact O-CG 3.27Å; L227-E231 PolarHBondContact O-N 3.28Å; D228-E231 PolarHBondContact O-N 3.32Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.45Å; E231-Y233 VanDerWaalsContact C-N 3.29Å; E231-Y233 PolarHBondContact O-N 2.82Å; E231-G234 PolarHBondContact O-N 3.09Å
232E94.2Very high95.6Very high144 Ų14445.1 Ų45.167%0.67323%0.23SC*.Hα-helixtrans-54.9-44179.4-177.3179.3175.300111.9D228 V229 G234D228-E232 VanDerWaalsContact O-CB 3.3Å; D228-E232 WeakPolarHBondContact O-CB 3.11Å; D228-E232 PolarHBondContact O-N 3.32Å; V229-E232 PolarHBondContact O-N 2.88Å; E232-G234 VanDerWaalsContact C-N 3.32Å
233Y95.1Very high95.5Very high56 Ų5639.3 Ų39.322%0.2221%0.209CC..THydrogen-bonded Turntrans-89.25.6-179.7-68.6-66.1000114.2S207 P209 Y217 V229 E231 I235S207-Y233 WeakPolarHBondContact CB-OH 2.94Å; S207-Y233 PolarHBondContact OG-OH 3.47Å; P209-Y233 HydrophobicContact CG-CD2 4.31Å; Y217-Y233 AromaticContact CE1-CD1 3.68Å; Y217-Y233 HydrophobicContact CE1-CD1 3.68Å; Y217-Y233 HydrophobicContact CE1-CE1 4.43Å; Y217-Y233 AromaticContact CE1-CG 3.94Å; Y217-Y233 HydrophobicContact CE1-CG 3.94Å; Y217-Y233 PolarHBondContact OH-O 2.81Å; V229-Y233 HydrophobicContact CG1-CD2 3.84Å; V229-Y233 HydrophobicContact CG1-CE2 3.99Å; V229-Y233 VanDerWaalsContact O-CD2 3.22Å; V229-Y233 WeakPolarHBondContact O-CD2 3.34Å; V229-Y233 PolarHBondContact O-N 3.34Å; E231-Y233 VanDerWaalsContact C-N 3.29Å; E231-Y233 PolarHBondContact O-N 2.82Å; Y233-I235 PolarHBondContact O-N 3.32Å
234G96.3Very high95.3Very high36 Ų3645.4 Ų45.437%0.37124%0.242SC..THydrogen-bonded Turntrans60.732.7-179.300000113.1L230 E231 E232 G290L230-G234 PolarHBondContact O-N 3.11Å; E231-G234 PolarHBondContact O-N 3.09Å; E232-G234 VanDerWaalsContact C-N 3.32Å; G234-G290 WeakPolarHBondContact O-CA 3.47Å; G234-G290 PolarHBondContact O-N 3.29Å
235I97.8Very high95Very high0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-77.6122.8179.8-64.6161.5000108.7P209 Y217 L230 Y233 Y237 I238 F255 G290 L292P209-I235 HydrophobicContact CG-CD1 4.09Å; Y217-I235 HydrophobicContact CD2-CD1 3.97Å; Y217-I235 HydrophobicContact CD2-CG1 3.79Å; Y217-I235 HydrophobicContact CE2-CD1 4.45Å; Y217-I235 HydrophobicContact CE2-CG1 4.01Å; Y217-I235 HydrophobicContact CG-CD1 4.14Å; Y217-I235 HydrophobicContact CG-CG1 4.46Å; L230-I235 HydrophobicContact CB-CB 4.4Å; L230-I235 HydrophobicContact CD2-CB 3.91Å; L230-I235 HydrophobicContact CD2-CD1 3.95Å; L230-I235 HydrophobicContact CD2-CG2 3.64Å; L230-I235 WeakPolarHBondContact O-CB 3.43Å; L230-I235 PolarHBondContact O-N 2.96Å; Y233-I235 PolarHBondContact O-N 3.32Å; I235-Y237 WeakPolarHBondContact CG2-O 2.91Å; I235-I238 HydrophobicContact CG2-CG1 4.13Å; I235-F255 WeakPolarHBondContact O-CE1 3.39Å; I235-G290 WeakPolarHBondContact CA-O 3.41Å; I235-L292 HydrophobicContact CD1-CB 4.25Å; I235-L292 HydrophobicContact CG2-CB 3.88Å
236K97.9Very high94.9Very high65 Ų6548.4 Ų48.428%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-125.4-8.5174.9-64.1-68.5177.1-171.80112.4E254 F255 K256 C289 G290K236-E254 VanDerWaalsContact CD-O 3.27Å; K236-E254 WeakPolarHBondContact CD-O 3.44Å; K236-E254 IonicContact NZ-OE2 3.71Å; K236-E254 PolarHBondContact NZ-OE2 3.26Å; K236-F255 CarbonylContact O-C 3.58Å; K236-F255 WeakPolarHBondContact O-CA 3.38Å; K236-K256 PolarHBondContact O-N 3.16Å; K236-C289 HydrophobicContact CB-CB 4.33Å; K236-G290 PolarHBondContact N-O 2.93Å
237Y98.7Very high95Very high14 Ų1446.6 Ų46.66%0.05525%0.25CC..EExtended strand (participates in β ladder)trans-117.1132.1177-78.8-115.9000109.9I235 K256 F280 E283 A284 Q287 C289 G290 V291 L292I235-Y237 WeakPolarHBondContact CG2-O 2.91Å; Y237-K256 CarbonylContact C-O 3.56Å; Y237-K256 WeakPolarHBondContact CA-O 3.37Å; Y237-K256 HydrophobicContact CD1-CB 4.18Å; Y237-K256 HydrophobicContact CD1-CD 4.01Å; Y237-K256 HydrophobicContact CE1-CB 4.19Å; Y237-K256 HydrophobicContact CE1-CD 3.37Å; Y237-K256 HydrophobicContact CE1-CG 4.31Å; Y237-K256 HydrophobicContact CE2-CB 4.5Å; Y237-K256 HydrophobicContact CG-CB 4.34Å; Y237-F280 HydrophobicContact CD1-CD1 4.47Å; Y237-F280 HydrophobicContact CD1-CD2 4.19Å; Y237-F280 AromaticContact CD1-CE1 3.97Å; Y237-F280 HydrophobicContact CD1-CE1 3.97Å; Y237-F280 AromaticContact CD1-CE2 3.65Å; Y237-F280 HydrophobicContact CD1-CE2 3.65Å; Y237-F280 AromaticContact CD1-CZ 3.54Å; Y237-F280 HydrophobicContact CD1-CZ 3.54Å; Y237-F280 HydrophobicContact CE1-CE2 4.16Å; Y237-F280 HydrophobicContact CE1-CZ 4.46Å; Y237-F280 HydrophobicContact CG-CZ 4.22Å; Y237-E283 HydrophobicContact CE1-CB 4.24Å; Y237-E283 HydrophobicContact CE1-CG 4.05Å; Y237-E283 WeakPolarHBondContact CE1-OE1 2.99Å; Y237-E283 PolarHBondContact OH-OE1 3Å; Y237-A284 HydrophobicContact CD1-CB 3.62Å; Y237-A284 HydrophobicContact CD2-CB 3.67Å; Y237-A284 HydrophobicContact CE1-CB 4.15Å; Y237-A284 HydrophobicContact CE2-CB 4.23Å; Y237-A284 HydrophobicContact CG-CB 3.36Å; Y237-Q287 PolarHBondContact OH-NE2 2.95Å; Y237-Q287 PolarHBondContact OH-OE1 2.96Å; Y237-C289 HydrophobicContact CD2-CB 4.22Å; Y237-C289 HydrophobicContact CE2-CB 4.39Å; Y237-G290 PolarHBondContact N-O 3.26Å; Y237-G290 VanDerWaalsContact N-O 3.15Å; Y237-V291 CarbonylContact O-C 3.57Å; Y237-V291 VanDerWaalsContact O-CA 3.27Å; Y237-V291 WeakPolarHBondContact O-CA 3.36Å; Y237-L292 PolarHBondContact O-N 2.66Å
238I98.7Very high95Very high0 Ų048.2 Ų48.20%026%0.258CS..EExtended strand (participates in β ladder)trans-130.9115.8-179.8-57.9173.7000109.6L230 I235 F255 K256 Y257 K258 L292L230-I238 HydrophobicContact CD1-CD1 3.87Å; L230-I238 HydrophobicContact CD2-CD1 4.02Å; L230-I238 HydrophobicContact CD2-CG1 4.47Å; I235-I238 HydrophobicContact CG2-CG1 4.13Å; I238-F255 HydrophobicContact CD1-CD1 3.83Å; I238-F255 HydrophobicContact CD1-CE1 4.41Å; I238-F255 HydrophobicContact CD1-CG 4.31Å; I238-F255 HydrophobicContact CG1-CD1 4.44Å; I238-K256 PolarHBondContact N-O 3.5Å; I238-Y257 HydrophobicContact CB-CD1 3.72Å; I238-Y257 HydrophobicContact CB-CE1 3.58Å; I238-Y257 HydrophobicContact CB-CG 4.37Å; I238-Y257 HydrophobicContact CD1-CE1 3.83Å; I238-Y257 HydrophobicContact CD1-CE2 4.17Å; I238-Y257 WeakPolarHBondContact CD1-OH 3.41Å; I238-Y257 HydrophobicContact CG1-CE1 4.26Å; I238-Y257 HydrophobicContact CG2-CD1 3.87Å; I238-Y257 HydrophobicContact CG2-CE1 3.52Å; I238-Y257 WeakPolarHBondContact O-CA 3.41Å; I238-K258 PolarHBondContact O-N 3.31Å; I238-L292 HydrophobicContact CG1-CB 4.49Å
239L98.9Very high95Very high0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-99.7102.7175.9-177.160.9000109.6V241 K258 I260 A277 F280 I281 L292 V293 H294 V305L239-V241 HydrophobicContact CG-CG2 4.24Å; L239-K258 CarbonylContact C-O 3.56Å; L239-K258 WeakPolarHBondContact CA-O 3.47Å; L239-K258 HydrophobicContact CD1-CB 3.85Å; L239-K258 HydrophobicContact CD1-CD 4.35Å; L239-K258 HydrophobicContact CD1-CG 4.02Å; L239-I260 HydrophobicContact CD1-CD1 3.86Å; L239-I260 HydrophobicContact CD1-CG1 4.15Å; L239-A277 HydrophobicContact CD2-CB 3.89Å; L239-F280 HydrophobicContact CB-CD1 3.96Å; L239-F280 HydrophobicContact CB-CE1 3.92Å; L239-F280 HydrophobicContact CD1-CD1 4.19Å; L239-F280 HydrophobicContact CG-CD1 4.46Å; L239-I281 HydrophobicContact CD2-CD1 4.28Å; L239-I281 HydrophobicContact CD2-CG1 4.33Å; L239-L292 PolarHBondContact N-O 3.5Å; L239-V293 HydrophobicContact CB-CG2 4.3Å; L239-V293 HydrophobicContact CD2-CG1 4.08Å; L239-V293 HydrophobicContact CD2-CG2 4.16Å; L239-V293 HydrophobicContact CG-CG1 4.43Å; L239-H294 PolarHBondContact O-CD2 3.04Å; L239-H294 PolarHBondContact O-N 3.44Å; L239-V305 HydrophobicContact CD2-CG1 3.87Å
240N98.7Very high94.9Very high0 Ų047.6 Ų47.60%025%0.25CC..EExtended strand (participates in β ladder)trans-90.7104.1-1791761.9000110.4T242 L245 N247 K258 Q259 I260 H294N240-T242 VanDerWaalsContact C-N 3.28Å; N240-T242 PolarHBondContact O-N 3.15Å; N240-T242 WeakPolarHBondContact OD1-CB 3.5Å; N240-T242 PolarHBondContact OD1-N 3.4Å; N240-T242 PolarHBondContact OD1-OG1 3.01Å; N240-L245 PolarHBondContact ND2-O 2.94Å; N240-N247 PolarHBondContact ND2-OD1 3.11Å; N240-K258 PolarHBondContact N-O 3.03Å; N240-Q259 HydrophobicContact CB-CG 4.29Å; N240-Q259 CarbonylContact O-C 3.59Å; N240-Q259 WeakPolarHBondContact O-CA 3.12Å; N240-I260 PolarHBondContact O-N 3.46Å; N240-H294 WeakPolarHBondContact CA-NE2 3.47Å; N240-H294 WeakPolarHBondContact CB-NE2 3.46Å
241V98.7Very high94.5Very high0 Ų055.4 Ų55.40%029%0.292CS..  trans-93.454.2179.5-160.80000110.5L239 I260 L270 V293 H294 C295 R301 V305L239-V241 HydrophobicContact CG-CG2 4.24Å; V241-I260 CarbonylContact C-O 3.58Å; V241-I260 WeakPolarHBondContact CA-O 3.42Å; V241-I260 HydrophobicContact CG1-CB 4.21Å; V241-I260 HydrophobicContact CG1-CG2 4.15Å; V241-L270 HydrophobicContact CG1-CD1 3.87Å; V241-V293 HydrophobicContact CG2-CG1 4.21Å; V241-H294 PolarHBondContact N-O 3.4Å; V241-C295 HydrophobicContact CB-CB 4.49Å; V241-R301 HydrophobicContact CB-CB 4.19Å; V241-R301 HydrophobicContact CG1-CB 3.81Å; V241-R301 WeakPolarHBondContact O-CD 3.31Å; V241-R301 PolarHBondContact O-NH1 3.42Å; V241-V305 HydrophobicContact CG1-CG2 4.25Å; V241-V305 HydrophobicContact CG2-CG2 4.09Å
242T94.9Very high94Very high3 Ų353.6 Ų53.62%0.01829%0.294CS..  trans-143.5151.4175.978.70000111.9N240 L245 Q259 I260 C295N240-T242 VanDerWaalsContact C-N 3.28Å; N240-T242 PolarHBondContact O-N 3.15Å; N240-T242 WeakPolarHBondContact OD1-CB 3.5Å; N240-T242 PolarHBondContact OD1-N 3.4Å; N240-T242 PolarHBondContact OD1-OG1 3.01Å; T242-L245 HydrophobicContact CG2-CD1 3.74Å; T242-L245 HydrophobicContact CG2-CG 4.13Å; T242-L245 WeakPolarHBondContact OG1-CB 3.5Å; T242-L245 WeakPolarHBondContact OG1-CG 3.47Å; T242-L245 PolarHBondContact OG1-N 3.31Å; T242-Q259 WeakPolarHBondContact O-CG 3.42Å; T242-Q259 PolarHBondContact O-NE2 3.07Å; T242-I260 PolarHBondContact N-O 3.06Å; T242-I260 VanDerWaalsContact N-O 3.16Å; T242-C295 HydrophobicContact CG2-CB 4.02Å
243P90.6Very high93.4Very high45 Ų4550.1 Ų50.129%0.29230%0.297SS..SBendtrans-80.8-25.9177.131.4-33.4000113.1P261 I262P243-P261 HydrophobicContact CB-CB 4.13Å; P243-I262 WeakPolarHBondContact CD-O 3.44Å
244N88.6Confident93.1Very high146 Ų14652.5 Ų52.578%0.78131%0.31SS*.SBendtrans-121.3-8.7-161.6-59.4-17.7000114.2
245L89.1Confident93.1Very high45 Ų4551.4 Ų51.424%0.23630%0.295CS..  trans-85.1136.1176-59.8-179.7000110.4A221 N240 T242 Q259 L296A221-L245 HydrophobicContact CB-CD1 3.57Å; N240-L245 PolarHBondContact ND2-O 2.94Å; T242-L245 HydrophobicContact CG2-CD1 3.74Å; T242-L245 HydrophobicContact CG2-CG 4.13Å; T242-L245 WeakPolarHBondContact OG1-CB 3.5Å; T242-L245 WeakPolarHBondContact OG1-CG 3.47Å; T242-L245 PolarHBondContact OG1-N 3.31Å; L245-Q259 PolarHBondContact O-NE2 3.13Å; L245-L296 HydrophobicContact CD1-CD1 4.16Å; L245-L296 HydrophobicContact CD2-CD1 4.29Å
246P92.3Very high93.1Very high94 Ų9455.8 Ų55.861%0.6131%0.314SS*.  trans-74.9151.4179.231.7-35.3000112L248P246-L248 PolarHBondContact O-N 3.16Å
247N95.7Very high93.1Very high24 Ų2453.8 Ų53.813%0.12831%0.305CS..  trans-84.287.9167.7-62.6-21.8000109.1N240 F249 E250 Y257N240-N247 PolarHBondContact ND2-OD1 3.11Å; N247-F249 VanDerWaalsContact C-N 3.29Å; N247-F249 PolarHBondContact O-N 3.47Å; N247-E250 HydrophobicContact CB-CB 3.87Å; N247-E250 WeakPolarHBondContact CB-OE2 3.29Å; N247-E250 PolarHBondContact ND2-OE2 2.97Å; N247-E250 PolarHBondContact O-N 3.23Å; N247-Y257 HydrophobicContact CB-CD1 3.43Å; N247-Y257 VanDerWaalsContact CB-CD1 3.43Å; N247-Y257 HydrophobicContact CB-CD2 4.23Å; N247-Y257 HydrophobicContact CB-CE1 3.61Å; N247-Y257 HydrophobicContact CB-CE2 4.38Å; N247-Y257 HydrophobicContact CB-CG 3.75Å; N247-Y257 WeakPolarHBondContact OD1-CD1 3.44Å
248L93.1Very high93.1Very high97 Ų9755.4 Ų55.451%0.50831%0.312SS..THydrogen-bonded Turntrans-57.2-37.6-166.1-174.259.9000114.2T225 P246T225-L248 HydrophobicContact CG2-CB 4.37Å; T225-L248 HydrophobicContact CG2-CD2 3.84Å; P246-L248 PolarHBondContact O-N 3.16Å
249F93.4Very high93.1Very high32 Ų3259 Ų5914%0.1433%0.329CS..THydrogen-bonded Turntrans-106.813.3-172.9-50.4-64.5000114T225 L227 L230 N247 N251 A252 F255 Y257T225-F249 WeakPolarHBondContact O-CZ 3.05Å; L227-F249 HydrophobicContact CB-CE1 4.36Å; L227-F249 HydrophobicContact CB-CZ 3.98Å; L227-F249 HydrophobicContact CD1-CD1 4.44Å; L227-F249 HydrophobicContact CD1-CE1 4.3Å; L227-F249 HydrophobicContact CD1-CE2 4.5Å; L227-F249 HydrophobicContact CD1-CZ 4.33Å; L230-F249 HydrophobicContact CD1-CD2 3.79Å; L230-F249 HydrophobicContact CD1-CE2 3.63Å; N247-F249 VanDerWaalsContact C-N 3.29Å; N247-F249 PolarHBondContact O-N 3.47Å; F249-N251 VanDerWaalsContact C-N 3.27Å; F249-N251 PolarHBondContact O-N 2.81Å; F249-A252 WeakPolarHBondContact O-CB 3.49Å; F249-A252 PolarHBondContact O-N 3.12Å; F249-A252 VanDerWaalsContact O-N 3.09Å; F249-F255 HydrophobicContact CB-CD2 3.42Å; F249-F255 VanDerWaalsContact CB-CD2 3.42Å; F249-F255 HydrophobicContact CB-CE2 3.84Å; F249-F255 HydrophobicContact CB-CG 4.17Å; F249-F255 HydrophobicContact CD2-CE2 4.4Å; F249-F255 HydrophobicContact CG-CD2 4.22Å; F249-F255 HydrophobicContact CG-CE2 4.17Å; F249-Y257 HydrophobicContact CB-CE2 4.18Å; F249-Y257 WeakPolarHBondContact CD2-OH 3.42Å; F249-Y257 PolarHBondContact N-OH 2.81Å
250E90.1Very high93.1Very high96 Ų9659 Ų5945%0.44933%0.329SS..G310 helixtrans-60.6-36-175-172.7162.5-148.100112.7N247 A252 Y257N247-E250 HydrophobicContact CB-CB 3.87Å; N247-E250 WeakPolarHBondContact CB-OE2 3.29Å; N247-E250 PolarHBondContact ND2-OE2 2.97Å; N247-E250 PolarHBondContact O-N 3.23Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.09Å; E250-Y257 HydrophobicContact CB-CD2 3.79Å; E250-Y257 HydrophobicContact CB-CE2 4.12Å; E250-Y257 HydrophobicContact CB-CG 4.38Å; E250-Y257 HydrophobicContact CG-CD2 4.19Å
251N87.6Confident93Very high165 Ų16562.5 Ų62.588%0.88235%0.352SS*.G310 helixtrans-83.2-5.8-180-62.7-40.4000114.1F249 G253F249-N251 VanDerWaalsContact C-N 3.27Å; F249-N251 PolarHBondContact O-N 2.81Å; N251-G253 PolarHBondContact O-N 3.36Å
252A84.5Confident92.8Very high63 Ų6362.8 Ų62.852%0.52135%0.353SS..G310 helixtrans-75.8-14.7179.700000112.6F249 E250 E254F249-A252 WeakPolarHBondContact O-CB 3.49Å; F249-A252 PolarHBondContact O-N 3.12Å; F249-A252 VanDerWaalsContact O-N 3.09Å; E250-A252 VanDerWaalsContact C-N 3.33Å; E250-A252 PolarHBondContact O-N 3.09Å; A252-E254 PolarHBondContact O-N 3.4Å
253G81.6Confident92.4Very high72 Ų7264.6 Ų64.674%0.74237%0.366SS*.SBendtrans78.7-7.3178.500000115.1N251N251-G253 PolarHBondContact O-N 3.36Å
254E88.8Confident92.4Very high106 Ų10665.9 Ų65.950%0.49537%0.37SS..SBendtrans-93.7-19.5-179.2-64.4-165.2-16200114.5K236 A252K236-E254 VanDerWaalsContact CD-O 3.27Å; K236-E254 WeakPolarHBondContact CD-O 3.44Å; K236-E254 IonicContact NZ-OE2 3.71Å; K236-E254 PolarHBondContact NZ-OE2 3.26Å; A252-E254 PolarHBondContact O-N 3.4Å
255F96.2Very high92.2Very high13 Ų1362.5 Ų62.56%0.05735%0.35CS..  trans-117130.3-175-62.6-84.1000110.7L227 L230 I235 K236 I238 F249 Y257L227-F255 HydrophobicContact CD1-CE2 3.69Å; L227-F255 HydrophobicContact CD1-CZ 3.63Å; L230-F255 HydrophobicContact CB-CE1 3.93Å; L230-F255 HydrophobicContact CB-CZ 4.17Å; L230-F255 HydrophobicContact CD1-CE1 4.01Å; L230-F255 HydrophobicContact CD1-CZ 4.19Å; L230-F255 HydrophobicContact CG-CE1 4.48Å; I235-F255 WeakPolarHBondContact O-CE1 3.39Å; K236-F255 CarbonylContact O-C 3.58Å; K236-F255 WeakPolarHBondContact O-CA 3.38Å; I238-F255 HydrophobicContact CD1-CD1 3.83Å; I238-F255 HydrophobicContact CD1-CE1 4.41Å; I238-F255 HydrophobicContact CD1-CG 4.31Å; I238-F255 HydrophobicContact CG1-CD1 4.44Å; F249-F255 HydrophobicContact CB-CD2 3.42Å; F249-F255 VanDerWaalsContact CB-CD2 3.42Å; F249-F255 HydrophobicContact CB-CE2 3.84Å; F249-F255 HydrophobicContact CB-CG 4.17Å; F249-F255 HydrophobicContact CD2-CE2 4.4Å; F249-F255 HydrophobicContact CG-CD2 4.22Å; F249-F255 HydrophobicContact CG-CE2 4.17Å; F255-Y257 HydrophobicContact CB-CD2 3.97Å; F255-Y257 HydrophobicContact CB-CE2 3.52Å; F255-Y257 HydrophobicContact CG-CE2 4.38Å
256K97.7Very high91.4Very high91 Ų9166 Ų6640%0.39636%0.36SS..EExtended strand (participates in β ladder)trans-89.1121.1167.6-163.1-175.2-171-178.20109K236 Y237 I238 F280 E283K236-K256 PolarHBondContact O-N 3.16Å; Y237-K256 CarbonylContact C-O 3.56Å; Y237-K256 WeakPolarHBondContact CA-O 3.37Å; Y237-K256 HydrophobicContact CD1-CB 4.18Å; Y237-K256 HydrophobicContact CD1-CD 4.01Å; Y237-K256 HydrophobicContact CE1-CB 4.19Å; Y237-K256 HydrophobicContact CE1-CD 3.37Å; Y237-K256 HydrophobicContact CE1-CG 4.31Å; Y237-K256 HydrophobicContact CE2-CB 4.5Å; Y237-K256 HydrophobicContact CG-CB 4.34Å; I238-K256 PolarHBondContact N-O 3.5Å; K256-F280 HydrophobicContact CD-CE2 4.05Å; K256-F280 HydrophobicContact CG-CE2 4.14Å; K256-F280 WeakPolarHBondContact O-CZ 3.33Å; K256-E283 IonicContact NZ-OE1 2.75Å; K256-E283 PolarHBondContact NZ-OE1 2.97Å; K256-E283 IonicContact NZ-OE2 2.98Å; K256-E283 PolarHBondContact NZ-OE2 3.01Å
257Y98.3Very high90.8Very high23 Ų2364.6 Ų64.69%0.0935%0.352CS..EExtended strand (participates in β ladder)trans-102.4152176.6-80-95.9000112.1I238 N247 F249 E250 F255I238-Y257 HydrophobicContact CB-CD1 3.72Å; I238-Y257 HydrophobicContact CB-CE1 3.58Å; I238-Y257 HydrophobicContact CB-CG 4.37Å; I238-Y257 HydrophobicContact CD1-CE1 3.83Å; I238-Y257 HydrophobicContact CD1-CE2 4.17Å; I238-Y257 WeakPolarHBondContact CD1-OH 3.41Å; I238-Y257 HydrophobicContact CG1-CE1 4.26Å; I238-Y257 HydrophobicContact CG2-CD1 3.87Å; I238-Y257 HydrophobicContact CG2-CE1 3.52Å; I238-Y257 WeakPolarHBondContact O-CA 3.41Å; N247-Y257 HydrophobicContact CB-CD1 3.43Å; N247-Y257 VanDerWaalsContact CB-CD1 3.43Å; N247-Y257 HydrophobicContact CB-CD2 4.23Å; N247-Y257 HydrophobicContact CB-CE1 3.61Å; N247-Y257 HydrophobicContact CB-CE2 4.38Å; N247-Y257 HydrophobicContact CB-CG 3.75Å; N247-Y257 WeakPolarHBondContact OD1-CD1 3.44Å; F249-Y257 HydrophobicContact CB-CE2 4.18Å; F249-Y257 WeakPolarHBondContact CD2-OH 3.42Å; F249-Y257 PolarHBondContact N-OH 2.81Å; E250-Y257 HydrophobicContact CB-CD2 3.79Å; E250-Y257 HydrophobicContact CB-CE2 4.12Å; E250-Y257 HydrophobicContact CB-CG 4.38Å; E250-Y257 HydrophobicContact CG-CD2 4.19Å; F255-Y257 HydrophobicContact CB-CD2 3.97Å; F255-Y257 HydrophobicContact CB-CE2 3.52Å; F255-Y257 HydrophobicContact CG-CE2 4.38Å
258K98.5Very high90.5Very high49 Ų4966 Ų6621%0.21336%0.358CS..EExtended strand (participates in β ladder)trans-140.1129.3160.7-172.3167.3-156.6-68.10108.6I238 L239 N240 E276 F280I238-K258 PolarHBondContact O-N 3.31Å; L239-K258 CarbonylContact C-O 3.56Å; L239-K258 WeakPolarHBondContact CA-O 3.47Å; L239-K258 HydrophobicContact CD1-CB 3.85Å; L239-K258 HydrophobicContact CD1-CD 4.35Å; L239-K258 HydrophobicContact CD1-CG 4.02Å; N240-K258 PolarHBondContact N-O 3.03Å; K258-E276 IonicContact NZ-OE1 2.77Å; K258-E276 PolarHBondContact NZ-OE1 3.07Å; K258-E276 IonicContact NZ-OE2 2.82Å; K258-E276 PolarHBondContact NZ-OE2 3.1Å; K258-F280 HydrophobicContact CB-CD1 4.18Å; K258-F280 HydrophobicContact CB-CD2 3.72Å; K258-F280 HydrophobicContact CB-CE1 4.07Å; K258-F280 HydrophobicContact CB-CE2 3.59Å; K258-F280 HydrophobicContact CB-CG 4Å; K258-F280 HydrophobicContact CB-CZ 3.76Å; K258-F280 HydrophobicContact CD-CB 3.78Å; K258-F280 HydrophobicContact CD-CD2 3.72Å; K258-F280 HydrophobicContact CD-CE2 4.43Å; K258-F280 HydrophobicContact CD-CG 3.79Å; K258-F280 HydrophobicContact CG-CD2 4.38Å
259Q98.5Very high90.6Very high76 Ų7664.7 Ų64.736%0.35535%0.351SS..EExtended strand (participates in β ladder)trans-108.3129.6178.5-168.9173.817.300110.6N240 T242 L245N240-Q259 HydrophobicContact CB-CG 4.29Å; N240-Q259 CarbonylContact O-C 3.59Å; N240-Q259 WeakPolarHBondContact O-CA 3.12Å; T242-Q259 WeakPolarHBondContact O-CG 3.42Å; T242-Q259 PolarHBondContact O-NE2 3.07Å; L245-Q259 PolarHBondContact O-NE2 3.13Å
260I98.5Very high90.8Very high0 Ų063.1 Ų63.10%035%0.345CS..  trans-110.7102.3170.2-65.3174.1000106.7L239 N240 V241 T242 I262 L270 F273 E276 A277L239-I260 HydrophobicContact CD1-CD1 3.86Å; L239-I260 HydrophobicContact CD1-CG1 4.15Å; N240-I260 PolarHBondContact O-N 3.46Å; V241-I260 CarbonylContact C-O 3.58Å; V241-I260 WeakPolarHBondContact CA-O 3.42Å; V241-I260 HydrophobicContact CG1-CB 4.21Å; V241-I260 HydrophobicContact CG1-CG2 4.15Å; T242-I260 PolarHBondContact N-O 3.06Å; T242-I260 VanDerWaalsContact N-O 3.16Å; I260-I262 HydrophobicContact CG2-CB 4.33Å; I260-I262 HydrophobicContact CG2-CG1 3.9Å; I260-I262 PolarHBondContact O-N 2.87Å; I260-L270 HydrophobicContact CG2-CD1 3.96Å; I260-F273 HydrophobicContact CD1-CB 3.96Å; I260-F273 HydrophobicContact CG1-CB 4.37Å; I260-F273 HydrophobicContact CG2-CB 3.88Å; I260-F273 HydrophobicContact CG2-CD1 4.24Å; I260-F273 HydrophobicContact CG2-CD2 3.76Å; I260-F273 HydrophobicContact CG2-CE2 4.34Å; I260-F273 HydrophobicContact CG2-CG 3.7Å; I260-E276 WeakPolarHBondContact CG1-OE1 3.07Å; I260-A277 HydrophobicContact CD1-CB 3.78Å
261P97.1Very high91.2Very high72 Ų7260.3 Ų60.347%0.46834%0.335SS..  trans-80.263-168.333-36.6000112.6P243P243-P261 HydrophobicContact CB-CB 4.13Å
262I93.9Very high91.7Very high7 Ų757.9 Ų57.94%0.03632%0.319CS..  trans-109.1125.3-178.7-73.7-59.6000111.8P243 I260 Q268 L270 F273 R301 F338P243-I262 WeakPolarHBondContact CD-O 3.44Å; I260-I262 HydrophobicContact CG2-CB 4.33Å; I260-I262 HydrophobicContact CG2-CG1 3.9Å; I260-I262 PolarHBondContact O-N 2.87Å; I262-Q268 HydrophobicContact CD1-CB 4.27Å; I262-Q268 HydrophobicContact CG2-CB 3.97Å; I262-Q268 HydrophobicContact CG2-CG 4.39Å; I262-L270 HydrophobicContact CB-CD1 4.17Å; I262-L270 HydrophobicContact CG1-CD1 4.05Å; I262-L270 HydrophobicContact CG2-CB 4.35Å; I262-L270 HydrophobicContact CG2-CD1 4.15Å; I262-F273 HydrophobicContact CD1-CD2 4.37Å; I262-F273 HydrophobicContact CD1-CE2 3.74Å; I262-F273 HydrophobicContact CG1-CD2 3.93Å; I262-F273 HydrophobicContact CG1-CE2 3.71Å; I262-R301 HydrophobicContact CG2-CG 4.49Å; I262-R301 WeakPolarHBondContact O-CD 3.36Å; I262-R301 PolarHBondContact O-NH1 3.39Å; I262-R301 VanDerWaalsContact O-NH1 3.07Å; I262-F338 HydrophobicContact CG2-CE1 4.37Å; I262-F338 HydrophobicContact CG2-CZ 3.77Å
263S87.3Confident92.3Very high41 Ų4157 Ų5729%0.28730%0.303SS..  trans-75.315617060.90000111.3H265 Q268S263-H265 PolarHBondContact O-N 3.3Å; S263-Q268 WeakPolarHBondContact O-CG 3.45Å; S263-Q268 VanDerWaalsContact OG-CG 3.28Å; S263-Q268 WeakPolarHBondContact OG-CG 3.44Å; S263-Q268 PolarHBondContact OG-NE2 3.16Å
264D89.6Confident93.1Very high71 Ų7153.6 Ų53.638%0.3827%0.268SS..SBendtrans-83.771.4178.7-158.20.1000110.4S300 R301 N335D264-S300 WeakPolarHBondContact OD1-CB 3.39Å; D264-S300 PolarHBondContact OD1-OG 3.42Å; D264-S300 WeakPolarHBondContact OD2-CB 3.46Å; D264-S300 PolarHBondContact OD2-OG 2.89Å; D264-R301 HydrophobicContact CB-CG 4.22Å; D264-N335 PolarHBondContact OD1-ND2 3.11Å
265H83.8Confident93.6Very high76 Ų7652.6 Ų52.635%0.35227%0.27SS..SBendtrans-140.1148.3-169.7-169.7-102.2000111.7S263 S267 Q268S263-H265 PolarHBondContact O-N 3.3Å; H265-S267 WeakPolarHBondContact ND1-CB 3.39Å; H265-S267 PolarHBondContact ND1-N 3.11Å; H265-S267 PolarHBondContact ND1-OG 3.15Å; H265-S267 PolarHBondContact O-N 3.14Å; H265-S267 VanDerWaalsContact O-N 3.09Å; H265-Q268 HydrophobicContact CB-CG 4.03Å; H265-Q268 WeakPolarHBondContact O-CB 3.44Å; H265-Q268 PolarHBondContact O-N 2.88Å; H265-Q268 VanDerWaalsContact O-N 3.11Å
266W73.7Confident93.7Very high119 Ų11955.3 Ų55.345%0.45128%0.284SS..THydrogen-bonded Turntrans-62.2-20.5-175.663.2-98000114.1Q268 F336 N337W266-Q268 VanDerWaalsContact C-N 3.34Å; W266-F336 HydrophobicContact CB-CE1 3.86Å; W266-F336 HydrophobicContact CB-CE2 4.32Å; W266-F336 HydrophobicContact CB-CZ 3.46Å; W266-F336 VanDerWaalsContact CB-CZ 3.46Å; W266-F336 HydrophobicContact CG-CZ 4.34Å; W266-N337 HydrophobicContact CB-CB 4.33Å; W266-N337 PolarHBondContact O-ND2 3.33Å; W266-N337 PolarHBondContact O-OD1 3.14Å
267S79.3Confident93.8Very high63 Ų6351 Ų5144%0.44127%0.265SS..THydrogen-bonded Turntrans-87.5-3.9-178.772.50000113.5H265H265-S267 WeakPolarHBondContact ND1-CB 3.39Å; H265-S267 PolarHBondContact ND1-N 3.11Å; H265-S267 PolarHBondContact ND1-OG 3.15Å; H265-S267 PolarHBondContact O-N 3.14Å; H265-S267 VanDerWaalsContact O-N 3.09Å
268Q89.6Confident93.8Very high53 Ų5350.2 Ų50.225%0.24826%0.262CS..  trans-90.1140.1-171.7-63.7-61.5-43.800111.4I262 S263 H265 W266 N337 F338 Q341I262-Q268 HydrophobicContact CD1-CB 4.27Å; I262-Q268 HydrophobicContact CG2-CB 3.97Å; I262-Q268 HydrophobicContact CG2-CG 4.39Å; S263-Q268 WeakPolarHBondContact O-CG 3.45Å; S263-Q268 VanDerWaalsContact OG-CG 3.28Å; S263-Q268 WeakPolarHBondContact OG-CG 3.44Å; S263-Q268 PolarHBondContact OG-NE2 3.16Å; H265-Q268 HydrophobicContact CB-CG 4.03Å; H265-Q268 WeakPolarHBondContact O-CB 3.44Å; H265-Q268 PolarHBondContact O-N 2.88Å; H265-Q268 VanDerWaalsContact O-N 3.11Å; W266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-N337 PolarHBondContact O-ND2 2.8Å; Q268-F338 HydrophobicContact CB-CE1 4.08Å; Q268-F338 HydrophobicContact CB-CZ 4.23Å; Q268-Q341 PolarHBondContact O-NE2 3.21Å
269N94.1Very high93.8Very high70 Ų7051.6 Ų51.637%0.37428%0.278SS..  trans-100.9100.4172.6-176.3-5.1000108.9S271 Q272N269-S271 PolarHBondContact OD1-N 2.88Å; N269-S271 PolarHBondContact OD1-OG 3.41Å; N269-Q272 WeakPolarHBondContact O-CG 3.45Å; N269-Q272 PolarHBondContact O-NE2 3.1Å; N269-Q272 PolarHBondContact OD1-N 2.62Å
270L98.1Very high93.8Very high0 Ų048.4 Ų48.40%026%0.263CS..  trans-89.1-29.6177.3-176.955000111.6V241 I260 I262 Q272 F273 F274 T304 V305 F338V241-L270 HydrophobicContact CG1-CD1 3.87Å; I260-L270 HydrophobicContact CG2-CD1 3.96Å; I262-L270 HydrophobicContact CB-CD1 4.17Å; I262-L270 HydrophobicContact CG1-CD1 4.05Å; I262-L270 HydrophobicContact CG2-CB 4.35Å; I262-L270 HydrophobicContact CG2-CD1 4.15Å; L270-Q272 VanDerWaalsContact C-N 3.26Å; L270-Q272 PolarHBondContact O-N 2.91Å; L270-F273 WeakPolarHBondContact O-CB 3.34Å; L270-F273 PolarHBondContact O-N 2.85Å; L270-F274 HydrophobicContact CG-CE1 4.04Å; L270-T304 HydrophobicContact CD2-CG2 3.89Å; L270-V305 HydrophobicContact CD1-CG2 4.15Å; L270-V305 HydrophobicContact CD2-CG2 4.23Å; L270-V305 HydrophobicContact CG-CG2 4.37Å; L270-F338 HydrophobicContact CB-CD1 3.81Å; L270-F338 HydrophobicContact CB-CE1 3.59Å; L270-F338 HydrophobicContact CB-CZ 4.16Å; L270-F338 HydrophobicContact CD2-CD1 4.25Å; L270-F338 HydrophobicContact CD2-CD2 4.07Å; L270-F338 HydrophobicContact CD2-CE1 4.21Å; L270-F338 HydrophobicContact CD2-CE2 4.04Å; L270-F338 HydrophobicContact CD2-CG 4.21Å; L270-F338 HydrophobicContact CD2-CZ 4.12Å
271S98Very high93.8Very high36 Ų3648.4 Ų48.425%0.25226%0.263SS..G310 helixtrans-63.4-28.8-177.257.60000114.3N269 F273 F274N269-S271 PolarHBondContact OD1-N 2.88Å; N269-S271 PolarHBondContact OD1-OG 3.41Å; S271-F273 PolarHBondContact O-N 2.81Å; S271-F273 VanDerWaalsContact O-N 3.09Å; S271-F274 VanDerWaalsContact CB-CE2 3.43Å; S271-F274 WeakPolarHBondContact O-CB 3.44Å; S271-F274 WeakPolarHBondContact O-CG 3.16Å; S271-F274 PolarHBondContact O-N 3.11Å
272Q97.9Very high93.9Very high114 Ų11447.4 Ų47.453%0.53325%0.254SS..G310 helixtrans-57.7-23.2172.670.8-175.4-33.100113N269 L270N269-Q272 WeakPolarHBondContact O-CG 3.45Å; N269-Q272 PolarHBondContact O-NE2 3.1Å; N269-Q272 PolarHBondContact OD1-N 2.62Å; L270-Q272 VanDerWaalsContact C-N 3.26Å; L270-Q272 PolarHBondContact O-N 2.91Å
273F98.7Very high94.1Very high45 Ų4550.2 Ų50.220%0.19727%0.267CS..G310 helixtrans-97.2-1.2179.2-57.7-75.8000113.4I260 I262 L270 S271 E276 A277I260-F273 HydrophobicContact CD1-CB 3.96Å; I260-F273 HydrophobicContact CG1-CB 4.37Å; I260-F273 HydrophobicContact CG2-CB 3.88Å; I260-F273 HydrophobicContact CG2-CD1 4.24Å; I260-F273 HydrophobicContact CG2-CD2 3.76Å; I260-F273 HydrophobicContact CG2-CE2 4.34Å; I260-F273 HydrophobicContact CG2-CG 3.7Å; I262-F273 HydrophobicContact CD1-CD2 4.37Å; I262-F273 HydrophobicContact CD1-CE2 3.74Å; I262-F273 HydrophobicContact CG1-CD2 3.93Å; I262-F273 HydrophobicContact CG1-CE2 3.71Å; L270-F273 WeakPolarHBondContact O-CB 3.34Å; L270-F273 PolarHBondContact O-N 2.85Å; S271-F273 PolarHBondContact O-N 2.81Å; S271-F273 VanDerWaalsContact O-N 3.09Å; F273-E276 HydrophobicContact CB-CG 4.09Å; F273-E276 HydrophobicContact CD1-CG 4.35Å; F273-E276 WeakPolarHBondContact CD1-OE1 3.1Å; F273-E276 WeakPolarHBondContact O-CG 3.47Å; F273-E276 PolarHBondContact O-N 2.55Å; F273-A277 WeakPolarHBondContact O-CB 3.49Å; F273-A277 PolarHBondContact O-N 2.93Å
274F98.7Very high94.6Very high0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-57.7-46.2178.7-66-18.2000113.1L270 S271 E276 A277 I278 T304 A308 L342 F345L270-F274 HydrophobicContact CG-CE1 4.04Å; S271-F274 VanDerWaalsContact CB-CE2 3.43Å; S271-F274 WeakPolarHBondContact O-CB 3.44Å; S271-F274 WeakPolarHBondContact O-CG 3.16Å; S271-F274 PolarHBondContact O-N 3.11Å; F274-E276 VanDerWaalsContact C-N 3.31Å; F274-E276 PolarHBondContact O-N 2.87Å; F274-A277 PolarHBondContact O-N 3.03Å; F274-I278 HydrophobicContact CB-CD1 4.19Å; F274-I278 VanDerWaalsContact O-CB 3.3Å; F274-I278 WeakPolarHBondContact O-CB 3.24Å; F274-I278 WeakPolarHBondContact O-CD1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.29Å; F274-I278 PolarHBondContact O-N 3.44Å; F274-T304 HydrophobicContact CE1-CG2 4Å; F274-T304 HydrophobicContact CZ-CG2 3.82Å; F274-A308 HydrophobicContact CD1-CB 3.83Å; F274-A308 HydrophobicContact CD2-CB 3.82Å; F274-A308 HydrophobicContact CE1-CB 3.88Å; F274-A308 HydrophobicContact CE2-CB 3.87Å; F274-A308 HydrophobicContact CG-CB 3.81Å; F274-A308 HydrophobicContact CZ-CB 3.9Å; F274-L342 HydrophobicContact CE2-CD2 4.15Å; F274-L342 HydrophobicContact CZ-CD2 3.93Å; F274-F345 HydrophobicContact CB-CE2 4.42Å; F274-F345 HydrophobicContact CB-CZ 4.42Å; F274-F345 HydrophobicContact CD2-CB 4.08Å; F274-F345 AromaticContact CD2-CD1 3.86Å; F274-F345 HydrophobicContact CD2-CD1 3.86Å; F274-F345 AromaticContact CD2-CD2 3.82Å; F274-F345 HydrophobicContact CD2-CD2 3.82Å; F274-F345 HydrophobicContact CD2-CE1 4.2Å; F274-F345 HydrophobicContact CD2-CE2 4.17Å; F274-F345 AromaticContact CD2-CG 3.65Å; F274-F345 HydrophobicContact CD2-CG 3.65Å; F274-F345 HydrophobicContact CD2-CZ 4.35Å; F274-F345 HydrophobicContact CE2-CB 3.9Å; F274-F345 HydrophobicContact CE2-CD1 4.14Å; F274-F345 HydrophobicContact CE2-CD2 4.5Å; F274-F345 AromaticContact CE2-CG 3.94Å; F274-F345 HydrophobicContact CE2-CG 3.94Å
275P98.3Very high95Very high85 Ų8547.6 Ų47.655%0.55225%0.245SC*.Hα-helixtrans-58.7-42.7-178.4-25.435.7000113S279P275-S279 WeakPolarHBondContact O-CB 3.21Å; P275-S279 PolarHBondContact O-N 2.96Å
276E98.4Very high95.6Very high71 Ų7147.1 Ų47.133%0.33226%0.261SS..Hα-helixtrans-75.6-32.7-178.959.3157.1-13300113.3K258 I260 F273 F274 F280K258-E276 IonicContact NZ-OE1 2.77Å; K258-E276 PolarHBondContact NZ-OE1 3.07Å; K258-E276 IonicContact NZ-OE2 2.82Å; K258-E276 PolarHBondContact NZ-OE2 3.1Å; I260-E276 WeakPolarHBondContact CG1-OE1 3.07Å; F273-E276 HydrophobicContact CB-CG 4.09Å; F273-E276 HydrophobicContact CD1-CG 4.35Å; F273-E276 WeakPolarHBondContact CD1-OE1 3.1Å; F273-E276 WeakPolarHBondContact O-CG 3.47Å; F273-E276 PolarHBondContact O-N 2.55Å; F274-E276 VanDerWaalsContact C-N 3.31Å; F274-E276 PolarHBondContact O-N 2.87Å; E276-F280 WeakPolarHBondContact O-CB 3.44Å; E276-F280 PolarHBondContact O-N 2.73Å; E276-F280 VanDerWaalsContact O-N 3.14Å
277A98.8Very high96.8Very high0 Ų046.6 Ų46.60%026%0.263CS..Hα-helixtrans-66.4-45.4173.500000110.8L239 I260 F273 F274 F280 I281 V305L239-A277 HydrophobicContact CD2-CB 3.89Å; I260-A277 HydrophobicContact CD1-CB 3.78Å; F273-A277 WeakPolarHBondContact O-CB 3.49Å; F273-A277 PolarHBondContact O-N 2.93Å; F274-A277 PolarHBondContact O-N 3.03Å; A277-F280 PolarHBondContact O-N 3.5Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3Å; A277-V305 HydrophobicContact CB-CG1 3.64Å
278I98.7Very high97.6Very high7 Ų751.6 Ų51.64%0.03628%0.277CS..Hα-helixtrans-65.3-43.7-179.2-68.3169.9000110.3F274 F280 I281 D282 Y309 Q312 F345F274-I278 HydrophobicContact CB-CD1 4.19Å; F274-I278 VanDerWaalsContact O-CB 3.3Å; F274-I278 WeakPolarHBondContact O-CB 3.24Å; F274-I278 WeakPolarHBondContact O-CD1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.29Å; F274-I278 PolarHBondContact O-N 3.44Å; I278-F280 VanDerWaalsContact C-N 3.3Å; I278-F280 PolarHBondContact O-N 3.04Å; I278-I281 PolarHBondContact O-N 3.09Å; I278-D282 WeakPolarHBondContact O-CB 3.49Å; I278-D282 PolarHBondContact O-N 3.23Å; I278-Y309 HydrophobicContact CB-CD2 4.19Å; I278-Y309 HydrophobicContact CG1-CD2 4.05Å; I278-Y309 HydrophobicContact CG2-CD2 3.89Å; I278-Y309 HydrophobicContact CG2-CE2 4.19Å; I278-Q312 HydrophobicContact CD1-CB 4.05Å; I278-F345 HydrophobicContact CD1-CE1 4.38Å; I278-F345 HydrophobicContact CD1-CZ 4.05Å
279S98.7Very high97.9Very high78 Ų7850.6 Ų50.655%0.54528%0.276SS..Hα-helixtrans-59.1-40.8174.1-174.80000112.4P275 D282 E283P275-S279 WeakPolarHBondContact O-CB 3.21Å; P275-S279 PolarHBondContact O-N 2.96Å; S279-D282 PolarHBondContact O-N 3.45Å; S279-E283 WeakPolarHBondContact O-CB 3.17Å; S279-E283 PolarHBondContact O-N 3.44Å
280F98.8Very high98.1Very high9 Ų947.3 Ų47.34%0.03926%0.258CS..Hα-helixtrans-68.3-40.9179.4-176.3-99.9000112.3Y237 L239 K256 K258 E276 A277 I278 E283 A284 V291Y237-F280 HydrophobicContact CD1-CD1 4.47Å; Y237-F280 HydrophobicContact CD1-CD2 4.19Å; Y237-F280 AromaticContact CD1-CE1 3.97Å; Y237-F280 HydrophobicContact CD1-CE1 3.97Å; Y237-F280 AromaticContact CD1-CE2 3.65Å; Y237-F280 HydrophobicContact CD1-CE2 3.65Å; Y237-F280 AromaticContact CD1-CZ 3.54Å; Y237-F280 HydrophobicContact CD1-CZ 3.54Å; Y237-F280 HydrophobicContact CE1-CE2 4.16Å; Y237-F280 HydrophobicContact CE1-CZ 4.46Å; Y237-F280 HydrophobicContact CG-CZ 4.22Å; L239-F280 HydrophobicContact CB-CD1 3.96Å; L239-F280 HydrophobicContact CB-CE1 3.92Å; L239-F280 HydrophobicContact CD1-CD1 4.19Å; L239-F280 HydrophobicContact CG-CD1 4.46Å; K256-F280 HydrophobicContact CD-CE2 4.05Å; K256-F280 HydrophobicContact CG-CE2 4.14Å; K256-F280 WeakPolarHBondContact O-CZ 3.33Å; K258-F280 HydrophobicContact CB-CD1 4.18Å; K258-F280 HydrophobicContact CB-CD2 3.72Å; K258-F280 HydrophobicContact CB-CE1 4.07Å; K258-F280 HydrophobicContact CB-CE2 3.59Å; K258-F280 HydrophobicContact CB-CG 4Å; K258-F280 HydrophobicContact CB-CZ 3.76Å; K258-F280 HydrophobicContact CD-CB 3.78Å; K258-F280 HydrophobicContact CD-CD2 3.72Å; K258-F280 HydrophobicContact CD-CE2 4.43Å; K258-F280 HydrophobicContact CD-CG 3.79Å; K258-F280 HydrophobicContact CG-CD2 4.38Å; E276-F280 WeakPolarHBondContact O-CB 3.44Å; E276-F280 PolarHBondContact O-N 2.73Å; E276-F280 VanDerWaalsContact O-N 3.14Å; A277-F280 PolarHBondContact O-N 3.5Å; I278-F280 VanDerWaalsContact C-N 3.3Å; I278-F280 PolarHBondContact O-N 3.04Å; F280-E283 PolarHBondContact O-N 3.11Å; F280-A284 PolarHBondContact O-N 3.49Å; F280-V291 HydrophobicContact CD1-CG2 4.35Å; F280-V291 HydrophobicContact CE1-CG2 4.16Å
281I98.8Very high98.2Very high0 Ų047.3 Ų47.30%026%0.258CS..Hα-helixtrans-64.4-44.2175-66.6163.6000110.5L216 L239 A277 I278 E283 A284 R285 V291 V293 V305 Y309L216-I281 HydrophobicContact CD1-CG2 3.94Å; L216-I281 HydrophobicContact CD2-CG2 4.48Å; L239-I281 HydrophobicContact CD2-CD1 4.28Å; L239-I281 HydrophobicContact CD2-CG1 4.33Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3Å; I278-I281 PolarHBondContact O-N 3.09Å; I281-E283 VanDerWaalsContact C-N 3.33Å; I281-E283 PolarHBondContact O-N 3.25Å; I281-A284 PolarHBondContact O-N 3.43Å; I281-R285 HydrophobicContact CG2-CG 4.38Å; I281-R285 WeakPolarHBondContact O-CG 3.31Å; I281-R285 PolarHBondContact O-N 2.99Å; I281-V291 HydrophobicContact CB-CG1 4.46Å; I281-V291 HydrophobicContact CG1-CG1 4.49Å; I281-V291 HydrophobicContact CG1-CG2 4.42Å; I281-V291 HydrophobicContact CG2-CG1 4Å; I281-V293 HydrophobicContact CD1-CG2 3.83Å; I281-V293 HydrophobicContact CG1-CG2 4.02Å; I281-V305 HydrophobicContact CD1-CG1 4.22Å; I281-Y309 HydrophobicContact CB-CD2 3.87Å; I281-Y309 HydrophobicContact CB-CE2 3.79Å; I281-Y309 HydrophobicContact CD1-CD2 3.95Å; I281-Y309 HydrophobicContact CD1-CG 4Å; I281-Y309 HydrophobicContact CG2-CD1 4.08Å; I281-Y309 HydrophobicContact CG2-CD2 3.65Å; I281-Y309 HydrophobicContact CG2-CE1 3.79Å; I281-Y309 HydrophobicContact CG2-CE2 3.35Å; I281-Y309 HydrophobicContact CG2-CG 4.02Å; I281-Y309 VanDerWaalsContact CG2-CZ 3.42Å
282D98.4Very high98.2Very high51 Ų5145.6 Ų45.627%0.27325%0.246SC..Hα-helixtrans-64.6-36.5178.4-93.6-7.4000112.7I278 S279 G286 Y309 K313I278-D282 WeakPolarHBondContact O-CB 3.49Å; I278-D282 PolarHBondContact O-N 3.23Å; S279-D282 PolarHBondContact O-N 3.45Å; D282-G286 PolarHBondContact O-N 3.38Å; D282-Y309 VanDerWaalsContact OD1-CE2 3.31Å; D282-Y309 WeakPolarHBondContact OD1-CE2 3.16Å; D282-Y309 PolarHBondContact OD1-OH 3.24Å; D282-K313 WeakPolarHBondContact OD1-CE 3.11Å; D282-K313 IonicContact OD1-NZ 2.62Å; D282-K313 PolarHBondContact OD1-NZ 2.93Å; D282-K313 IonicContact OD2-NZ 2.89Å; D282-K313 PolarHBondContact OD2-NZ 3.16Å
283E98.5Very high98.2Very high66 Ų6640.2 Ų40.231%0.30822%0.221SC..Hα-helixtrans-58.9-50.8174.6-168.9-165.6146.100111.2Y237 K256 S279 F280 I281 G286 Q287Y237-E283 HydrophobicContact CE1-CB 4.24Å; Y237-E283 HydrophobicContact CE1-CG 4.05Å; Y237-E283 WeakPolarHBondContact CE1-OE1 2.99Å; Y237-E283 PolarHBondContact OH-OE1 3Å; K256-E283 IonicContact NZ-OE1 2.75Å; K256-E283 PolarHBondContact NZ-OE1 2.97Å; K256-E283 IonicContact NZ-OE2 2.98Å; K256-E283 PolarHBondContact NZ-OE2 3.01Å; S279-E283 WeakPolarHBondContact O-CB 3.17Å; S279-E283 PolarHBondContact O-N 3.44Å; F280-E283 PolarHBondContact O-N 3.11Å; I281-E283 VanDerWaalsContact C-N 3.33Å; I281-E283 PolarHBondContact O-N 3.25Å; E283-G286 PolarHBondContact O-N 2.84Å; E283-Q287 WeakPolarHBondContact O-CG 3.33Å; E283-Q287 PolarHBondContact O-N 3.2Å
284A98.3Very high98.2Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-60.5-50.5179.900000111.9Y237 F280 I281 G286 Q287 K288 C289 V291Y237-A284 HydrophobicContact CD1-CB 3.62Å; Y237-A284 HydrophobicContact CD2-CB 3.67Å; Y237-A284 HydrophobicContact CE1-CB 4.15Å; Y237-A284 HydrophobicContact CE2-CB 4.23Å; Y237-A284 HydrophobicContact CG-CB 3.36Å; F280-A284 PolarHBondContact O-N 3.49Å; I281-A284 PolarHBondContact O-N 3.43Å; A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 2.72Å; A284-Q287 CarbonylContact O-C 3.39Å; A284-Q287 PolarHBondContact O-N 2.95Å; A284-Q287 VanDerWaalsContact O-N 3.1Å; A284-K288 PolarHBondContact O-N 3.45Å; A284-C289 CarbonylContact C-O 3.55Å; A284-C289 PolarHBondContact O-N 3.26Å; A284-V291 HydrophobicContact CB-CB 3.61Å; A284-V291 HydrophobicContact CB-CG1 3.94Å; A284-V291 HydrophobicContact CB-CG2 4.42Å
285R97.6Very high98.2Very high57 Ų5738.2 Ų38.222%0.21521%0.212CC..Hα-helixtrans-65.9-34.6-178.8-66.1-177.575.3-143.4-4111.9P214 H215 I281 Q287 K288 V291 Y309P214-R285 PolarHBondContact O-NE 2.95Å; P214-R285 VanDerWaalsContact O-NE 3.09Å; P214-R285 PolarHBondContact O-NH2 3.07Å; H215-R285 HydrophobicContact CB-CG 4.31Å; I281-R285 HydrophobicContact CG2-CG 4.38Å; I281-R285 WeakPolarHBondContact O-CG 3.31Å; I281-R285 PolarHBondContact O-N 2.99Å; R285-Q287 PolarHBondContact O-N 2.76Å; R285-K288 PolarHBondContact O-N 3.14Å; R285-V291 HydrophobicContact CG-CG1 4.31Å; R285-Y309 WeakPolarHBondContact CD-OH 3.23Å; R285-Y309 PolarHBondContact NH1-OH 3.04Å
286G97.4Very high97.9Very high66 Ų6638.9 Ų38.968%0.6821%0.211SC*.Hα-helixtrans-62.9-3117400000113.1D282 E283 A284 K288D282-G286 PolarHBondContact O-N 3.38Å; E283-G286 PolarHBondContact O-N 2.84Å; A284-G286 VanDerWaalsContact C-N 3.31Å; A284-G286 PolarHBondContact O-N 2.72Å; G286-K288 VanDerWaalsContact C-N 3.31Å
287Q97.1Very high97.5Very high107 Ų10738.1 Ų38.150%0.522%0.217SC..THydrogen-bonded Turntrans-87.24.3173.7-63.8179.928.800113.5Y237 E283 A284 R285 C289Y237-Q287 PolarHBondContact OH-NE2 2.95Å; Y237-Q287 PolarHBondContact OH-OE1 2.96Å; E283-Q287 WeakPolarHBondContact O-CG 3.33Å; E283-Q287 PolarHBondContact O-N 3.2Å; A284-Q287 CarbonylContact O-C 3.39Å; A284-Q287 PolarHBondContact O-N 2.95Å; A284-Q287 VanDerWaalsContact O-N 3.1Å; R285-Q287 PolarHBondContact O-N 2.76Å; Q287-C289 PolarHBondContact O-N 3.26Å
288K96.6Very high97.4Very high168 Ų16838.1 Ų38.173%0.7322%0.217SC*.THydrogen-bonded Turntrans55.228.3-173.3-54-179.7179.9-179.40113.2A284 R285 G286A284-K288 PolarHBondContact O-N 3.45Å; R285-K288 PolarHBondContact O-N 3.14Å; G286-K288 VanDerWaalsContact C-N 3.31Å
289C96.7Very high97.2Very high33 Ų3340.3 Ų40.322%0.22323%0.228CC..  trans-98.5142.6173.9-67.80000109.3K236 Y237 A284 Q287K236-C289 HydrophobicContact CB-CB 4.33Å; Y237-C289 HydrophobicContact CD2-CB 4.22Å; Y237-C289 HydrophobicContact CE2-CB 4.39Å; A284-C289 CarbonylContact C-O 3.55Å; A284-C289 PolarHBondContact O-N 3.26Å; Q287-C289 PolarHBondContact O-N 3.26Å
290G98.1Very high97.1Very high1 Ų136.8 Ų36.81%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-64.6137.4173.500000111.5G234 I235 K236 Y237G234-G290 WeakPolarHBondContact O-CA 3.47Å; G234-G290 PolarHBondContact O-N 3.29Å; I235-G290 WeakPolarHBondContact CA-O 3.41Å; K236-G290 PolarHBondContact N-O 2.93Å; Y237-G290 PolarHBondContact N-O 3.26Å; Y237-G290 VanDerWaalsContact N-O 3.15Å
291V98.8Very high97.1Very high0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-115.5128.7166.854.70000111.1H215 L216 Y217 Y237 F280 I281 A284 R285 V293H215-V291 WeakPolarHBondContact O-CG1 3.49Å; H215-V291 PolarHBondContact O-N 3.19Å; L216-V291 HydrophobicContact CD1-CG1 3.91Å; Y217-V291 PolarHBondContact N-O 3.47Å; Y237-V291 CarbonylContact O-C 3.57Å; Y237-V291 VanDerWaalsContact O-CA 3.27Å; Y237-V291 WeakPolarHBondContact O-CA 3.36Å; F280-V291 HydrophobicContact CD1-CG2 4.35Å; F280-V291 HydrophobicContact CE1-CG2 4.16Å; I281-V291 HydrophobicContact CB-CG1 4.46Å; I281-V291 HydrophobicContact CG1-CG1 4.49Å; I281-V291 HydrophobicContact CG1-CG2 4.42Å; I281-V291 HydrophobicContact CG2-CG1 4Å; A284-V291 HydrophobicContact CB-CB 3.61Å; A284-V291 HydrophobicContact CB-CG1 3.94Å; A284-V291 HydrophobicContact CB-CG2 4.42Å; R285-V291 HydrophobicContact CG-CG1 4.31Å; V291-V293 HydrophobicContact CG2-CG2 4.47Å
292L98.8Very high97.1Very high0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-97.4117.4170.817762.8000110P209 Y217 D223 L230 I235 Y237 I238 L239 H294P209-L292 HydrophobicContact CB-CD1 3.68Å; P209-L292 HydrophobicContact CG-CD1 4.16Å; Y217-L292 WeakPolarHBondContact O-CA 3.48Å; D223-L292 HydrophobicContact CB-CD2 4.34Å; L230-L292 HydrophobicContact CD2-CD2 3.88Å; I235-L292 HydrophobicContact CD1-CB 4.25Å; I235-L292 HydrophobicContact CG2-CB 3.88Å; Y237-L292 PolarHBondContact O-N 2.66Å; I238-L292 HydrophobicContact CG1-CB 4.49Å; L239-L292 PolarHBondContact N-O 3.5Å; L292-H294 HydrophobicContact CD2-CB 4.46Å; L292-H294 HydrophobicContact CG-CB 4.22Å
293V98.8Very high97.1Very high0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-96.6114167.8-172.90000108.1L216 Y217 G219 L239 V241 I281 V291 V305L216-V293 HydrophobicContact CD1-CG2 3.84Å; Y217-V293 PolarHBondContact O-N 3.41Å; G219-V293 PolarHBondContact N-O 2.82Å; G219-V293 VanDerWaalsContact N-O 3.1Å; L239-V293 HydrophobicContact CB-CG2 4.3Å; L239-V293 HydrophobicContact CD2-CG1 4.08Å; L239-V293 HydrophobicContact CD2-CG2 4.16Å; L239-V293 HydrophobicContact CG-CG1 4.43Å; V241-V293 HydrophobicContact CG2-CG1 4.21Å; I281-V293 HydrophobicContact CD1-CG2 3.83Å; I281-V293 HydrophobicContact CG1-CG2 4.02Å; V291-V293 HydrophobicContact CG2-CG2 4.47Å; V293-V305 HydrophobicContact CG1-CB 4.22Å; V293-V305 HydrophobicContact CG1-CG1 4.04Å
294H98.6Very high97.1Very high2 Ų231.8 Ų31.81%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-131.4158.4-177.183.498.2000113.1G219 S224 L239 N240 V241 L292G219-H294 WeakPolarHBondContact O-CA 3.49Å; S224-H294 PolarHBondContact OG-CE1 3.34Å; S224-H294 VanDerWaalsContact OG-CE1 3.24Å; S224-H294 PolarHBondContact OG-ND1 3.3Å; L239-H294 PolarHBondContact O-CD2 3.04Å; L239-H294 PolarHBondContact O-N 3.44Å; N240-H294 WeakPolarHBondContact CA-NE2 3.47Å; N240-H294 WeakPolarHBondContact CB-NE2 3.46Å; V241-H294 PolarHBondContact N-O 3.4Å; L292-H294 HydrophobicContact CD2-CB 4.46Å; L292-H294 HydrophobicContact CG-CB 4.22Å
295C97.6Very high97.1Very high1 Ų131.8 Ų31.81%0.00718%0.178CC..  trans-133-150.9163.865.40000108.4C220 A221 V241 T242 G298 R301 S302C220-C295 CarbonylContact C-O 3.55Å; A221-C295 PolarHBondContact N-O 3.11Å; V241-C295 HydrophobicContact CB-CB 4.49Å; T242-C295 HydrophobicContact CG2-CB 4.02Å; C295-G298 PolarHBondContact SG-N 2.68Å; C295-R301 HydrophobicContact CB-CB 3.84Å; C295-S302 PolarHBondContact SG-OG 3.43Å
296L92.9Very high97.2Very high99 Ų9929.1 Ų29.152%0.51817%0.167SC..SBendtrans-68.4-61.1176.6-177.161.9000112C220 A221 L245C220-L296 WeakPolarHBondContact CB-O 3.41Å; A221-L296 HydrophobicContact CB-CD1 4.13Å; A221-L296 PolarHBondContact N-O 2.95Å; L245-L296 HydrophobicContact CD1-CD1 4.16Å; L245-L296 HydrophobicContact CD2-CD1 4.29Å
297A90.6Very high97.3Very high55 Ų5526 Ų2646%0.45514%0.135SC..SBendtrans-99.9-11.5-174.200000114.1I299A297-I299 VanDerWaalsContact C-N 3.31Å; A297-I299 HydrophobicContact CB-CB 4.4Å; A297-I299 HydrophobicContact CB-CD1 3.93Å; A297-I299 HydrophobicContact CB-CG1 4.12Å; A297-I299 PolarHBondContact O-N 3.08Å
298G94.9Very high97.4Very high0 Ų020.9 Ų20.90%011%0.111CC..SBendtrans71.123-174.700000114.5G219 C295 K329G219-G298 WeakPolarHBondContact O-CA 3.4Å; C295-G298 PolarHBondContact SG-N 2.68Å; G298-K329 WeakPolarHBondContact O-CE 3.46Å
299I94.7Very high97.5Very high54 Ų5412.9 Ų12.928%0.2778%0.076SC..SBendtrans-110.3-36.8-171-68.5172.4000113.1A297 V303 S333A297-I299 VanDerWaalsContact C-N 3.31Å; A297-I299 HydrophobicContact CB-CB 4.4Å; A297-I299 HydrophobicContact CB-CD1 3.93Å; A297-I299 HydrophobicContact CB-CG1 4.12Å; A297-I299 PolarHBondContact O-N 3.08Å; I299-V303 WeakPolarHBondContact O-CG2 3.4Å; I299-S333 CarbonylContact O-C 3.57Å; I299-S333 PolarHBondContact O-N 3.36Å
300S97Very high97.5Very high3 Ų311.3 Ų11.32%0.0217%0.066CC..SBendtrans-120.4-79.7-170.3170.50000112.8D264 S302 V303 T304 S333 N335D264-S300 WeakPolarHBondContact OD1-CB 3.39Å; D264-S300 PolarHBondContact OD1-OG 3.42Å; D264-S300 WeakPolarHBondContact OD2-CB 3.46Å; D264-S300 PolarHBondContact OD2-OG 2.89Å; S300-S302 PolarHBondContact O-N 3.28Å; S300-V303 WeakPolarHBondContact O-CB 3.43Å; S300-V303 PolarHBondContact O-N 2.83Å; S300-V303 VanDerWaalsContact O-N 3.14Å; S300-T304 PolarHBondContact O-N 2.91Å; S300-T304 PolarHBondContact O-OG1 3.37Å; S300-S333 WeakPolarHBondContact CB-O 3.36Å; S300-N335 PolarHBondContact OG-N 2.86Å; S300-N335 VanDerWaalsContact OG-N 3.09Å
301R98.7Very high97.6Very high21 Ų2111.2 Ų11.28%0.0797%0.065CC..Hα-helixtrans-53.9-53.2-175.1-70.7166.8-73.2-178.5-7.7114.9V241 I262 D264 C295 V303 T304 V305 F338V241-R301 HydrophobicContact CB-CB 4.19Å; V241-R301 HydrophobicContact CG1-CB 3.81Å; V241-R301 WeakPolarHBondContact O-CD 3.31Å; V241-R301 PolarHBondContact O-NH1 3.42Å; I262-R301 HydrophobicContact CG2-CG 4.49Å; I262-R301 WeakPolarHBondContact O-CD 3.36Å; I262-R301 PolarHBondContact O-NH1 3.39Å; I262-R301 VanDerWaalsContact O-NH1 3.07Å; D264-R301 HydrophobicContact CB-CG 4.22Å; C295-R301 HydrophobicContact CB-CB 3.84Å; R301-V303 VanDerWaalsContact C-N 3.29Å; R301-V303 PolarHBondContact O-N 2.81Å; R301-T304 WeakPolarHBondContact O-CB 3.39Å; R301-T304 PolarHBondContact O-N 3.12Å; R301-V305 PolarHBondContact O-N 2.88Å; R301-V305 VanDerWaalsContact O-N 3.12Å; R301-F338 HydrophobicContact CB-CE2 4.45Å; R301-F338 HydrophobicContact CG-CD2 4.4Å; R301-F338 HydrophobicContact CG-CE2 3.48Å; R301-F338 VanDerWaalsContact CG-CE2 3.48Å; R301-F338 HydrophobicContact CG-CZ 4.13Å
302S98.7Very high97.5Very high0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-66.6-33.7179.851.50000112.2L218 C295 S300 T306L218-S302 WeakPolarHBondContact CD1-OG 3.49Å; C295-S302 PolarHBondContact SG-OG 3.43Å; S300-S302 PolarHBondContact O-N 3.28Å; S302-T306 WeakPolarHBondContact O-CB 3.36Å; S302-T306 PolarHBondContact O-N 3.29Å; S302-T306 PolarHBondContact O-OG1 3.37Å
303V98.8Very high97.4Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-62.6-48.6172.1174.40000110.3L218 I299 S300 R301 V305 T306 V307 V325 I332 P334L218-V303 HydrophobicContact CD1-CG2 4.25Å; L218-V303 HydrophobicContact CD2-CG2 3.88Å; I299-V303 WeakPolarHBondContact O-CG2 3.4Å; S300-V303 WeakPolarHBondContact O-CB 3.43Å; S300-V303 PolarHBondContact O-N 2.83Å; S300-V303 VanDerWaalsContact O-N 3.14Å; R301-V303 VanDerWaalsContact C-N 3.29Å; R301-V303 PolarHBondContact O-N 2.81Å; V303-V305 VanDerWaalsContact C-N 3.32Å; V303-V305 PolarHBondContact O-N 2.85Å; V303-T306 CarbonylContact O-C 3.51Å; V303-T306 WeakPolarHBondContact O-CA 3.36Å; V303-T306 WeakPolarHBondContact O-CB 3.41Å; V303-T306 PolarHBondContact O-N 3.05Å; V303-V307 HydrophobicContact CG1-CG2 4.11Å; V303-V307 WeakPolarHBondContact O-CG2 3.47Å; V303-V307 PolarHBondContact O-N 2.91Å; V303-V325 HydrophobicContact CG1-CG1 4.31Å; V303-I332 HydrophobicContact CB-CG2 4.38Å; V303-I332 HydrophobicContact CG1-CB 3.9Å; V303-I332 HydrophobicContact CG1-CD1 3.96Å; V303-I332 HydrophobicContact CG1-CG2 3.99Å; V303-I332 HydrophobicContact CG2-CB 3.91Å; V303-I332 HydrophobicContact CG2-CG2 3.44Å; V303-I332 VanDerWaalsContact CG2-CG2 3.44Å; V303-P334 HydrophobicContact CB-CG 4.24Å; V303-P334 HydrophobicContact CG1-CG 3.66Å
304T98.8Very high97.2Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-55.6-48178.9-54.70000111.5L270 F274 S300 R301 T306 V307 A308 F338 L342L270-T304 HydrophobicContact CD2-CG2 3.89Å; F274-T304 HydrophobicContact CE1-CG2 4Å; F274-T304 HydrophobicContact CZ-CG2 3.82Å; S300-T304 PolarHBondContact O-N 2.91Å; S300-T304 PolarHBondContact O-OG1 3.37Å; R301-T304 WeakPolarHBondContact O-CB 3.39Å; R301-T304 PolarHBondContact O-N 3.12Å; T304-T306 VanDerWaalsContact C-N 3.3Å; T304-T306 PolarHBondContact O-N 2.94Å; T304-V307 PolarHBondContact O-N 3.18Å; T304-A308 WeakPolarHBondContact O-CB 3.36Å; T304-A308 PolarHBondContact O-N 2.86Å; T304-F338 HydrophobicContact CG2-CB 3.77Å; T304-F338 HydrophobicContact CG2-CG 4.31Å; T304-F338 WeakPolarHBondContact OG1-CB 3.37Å; T304-L342 HydrophobicContact CG2-CD1 3.95Å; T304-L342 HydrophobicContact CG2-CD2 4Å; T304-L342 HydrophobicContact CG2-CG 3.84Å
305V98.9Very high97Very high1 Ų128.9 Ų28.91%0.00615%0.153CC..Hα-helixtrans-61.2-41.3176.9171.70000111.4L239 V241 L270 A277 I281 V293 R301 V303 A308 Y309L239-V305 HydrophobicContact CD2-CG1 3.87Å; V241-V305 HydrophobicContact CG1-CG2 4.25Å; V241-V305 HydrophobicContact CG2-CG2 4.09Å; L270-V305 HydrophobicContact CD1-CG2 4.15Å; L270-V305 HydrophobicContact CD2-CG2 4.23Å; L270-V305 HydrophobicContact CG-CG2 4.37Å; A277-V305 HydrophobicContact CB-CG1 3.64Å; I281-V305 HydrophobicContact CD1-CG1 4.22Å; V293-V305 HydrophobicContact CG1-CB 4.22Å; V293-V305 HydrophobicContact CG1-CG1 4.04Å; R301-V305 PolarHBondContact O-N 2.88Å; R301-V305 VanDerWaalsContact O-N 3.12Å; V303-V305 VanDerWaalsContact C-N 3.32Å; V303-V305 PolarHBondContact O-N 2.85Å; V305-A308 PolarHBondContact O-N 2.86Å; V305-Y309 WeakPolarHBondContact O-CB 3.26Å; V305-Y309 PolarHBondContact O-N 3.44Å
306T98.9Very high96.8Very high0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-65.1-43.7178.8-57.10000111.7I212 L216 S302 V303 T304 Y309 L310 V325I212-T306 HydrophobicContact CB-CG2 4.33Å; I212-T306 HydrophobicContact CG1-CG2 4.07Å; I212-T306 HydrophobicContact CG2-CG2 3.95Å; L216-T306 HydrophobicContact CD2-CG2 4.45Å; S302-T306 WeakPolarHBondContact O-CB 3.36Å; S302-T306 PolarHBondContact O-N 3.29Å; S302-T306 PolarHBondContact O-OG1 3.37Å; V303-T306 CarbonylContact O-C 3.51Å; V303-T306 WeakPolarHBondContact O-CA 3.36Å; V303-T306 WeakPolarHBondContact O-CB 3.41Å; V303-T306 PolarHBondContact O-N 3.05Å; T304-T306 VanDerWaalsContact C-N 3.3Å; T304-T306 PolarHBondContact O-N 2.94Å; T306-Y309 WeakPolarHBondContact O-CB 3.5Å; T306-Y309 PolarHBondContact O-N 3.19Å; T306-L310 WeakPolarHBondContact O-CG 3.36Å; T306-L310 PolarHBondContact O-N 3.48Å; T306-V325 HydrophobicContact CG2-CG2 4.11Å
307V98.8Very high96.8Very high0 Ų026.4 Ų26.40%014%0.14CC..Hα-helixtrans-63.2-46.8176.5173.60000110.3V303 T304 Y309 L310 M311 A321 Y322 V325 L342V303-V307 HydrophobicContact CG1-CG2 4.11Å; V303-V307 WeakPolarHBondContact O-CG2 3.47Å; V303-V307 PolarHBondContact O-N 2.91Å; T304-V307 PolarHBondContact O-N 3.18Å; V307-Y309 VanDerWaalsContact C-N 3.26Å; V307-Y309 PolarHBondContact O-N 3.41Å; V307-L310 PolarHBondContact O-N 2.97Å; V307-L310 VanDerWaalsContact O-N 3.11Å; V307-M311 HydrophobicContact CG1-CG 4.34Å; V307-M311 HydrophobicContact CG1-SD 3.95Å; V307-M311 VanDerWaalsContact O-CG 3.26Å; V307-M311 WeakPolarHBondContact O-CG 3.16Å; V307-M311 PolarHBondContact O-N 3.41Å; V307-A321 HydrophobicContact CG1-CB 3.87Å; V307-Y322 HydrophobicContact CG2-CD2 4.45Å; V307-V325 HydrophobicContact CG2-CB 4.44Å; V307-V325 HydrophobicContact CG2-CG2 3.93Å; V307-L342 HydrophobicContact CB-CD1 4.15Å; V307-L342 HydrophobicContact CB-CD2 4.32Å; V307-L342 HydrophobicContact CG1-CD1 3.9Å; V307-L342 HydrophobicContact CG1-CD2 4.11Å
308A98.8Very high97.1Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-57.1-40.8175.300000112F274 T304 V305 M311 Q312 L342 F345F274-A308 HydrophobicContact CD1-CB 3.83Å; F274-A308 HydrophobicContact CD2-CB 3.82Å; F274-A308 HydrophobicContact CE1-CB 3.88Å; F274-A308 HydrophobicContact CE2-CB 3.87Å; F274-A308 HydrophobicContact CG-CB 3.81Å; F274-A308 HydrophobicContact CZ-CB 3.9Å; T304-A308 WeakPolarHBondContact O-CB 3.36Å; T304-A308 PolarHBondContact O-N 2.86Å; V305-A308 PolarHBondContact O-N 2.86Å; A308-M311 PolarHBondContact O-N 3.26Å; A308-Q312 PolarHBondContact O-N 2.86Å; A308-Q312 VanDerWaalsContact O-N 3.1Å; A308-L342 HydrophobicContact CB-CD2 3.79Å; A308-F345 HydrophobicContact CB-CD1 4.09Å; A308-F345 HydrophobicContact CB-CE1 3.97Å
309Y98.9Very high96.9Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-60.6-47.6174.5178.4-98.1000112.4L213 L216 I278 I281 D282 R285 V305 T306 V307 M311 Q312 K313L213-Y309 HydrophobicContact CD1-CE1 4.29Å; L216-Y309 HydrophobicContact CD2-CD1 3.56Å; L216-Y309 HydrophobicContact CD2-CE1 3.75Å; I278-Y309 HydrophobicContact CB-CD2 4.19Å; I278-Y309 HydrophobicContact CG1-CD2 4.05Å; I278-Y309 HydrophobicContact CG2-CD2 3.89Å; I278-Y309 HydrophobicContact CG2-CE2 4.19Å; I281-Y309 HydrophobicContact CB-CD2 3.87Å; I281-Y309 HydrophobicContact CB-CE2 3.79Å; I281-Y309 HydrophobicContact CD1-CD2 3.95Å; I281-Y309 HydrophobicContact CD1-CG 4Å; I281-Y309 HydrophobicContact CG2-CD1 4.08Å; I281-Y309 HydrophobicContact CG2-CD2 3.65Å; I281-Y309 HydrophobicContact CG2-CE1 3.79Å; I281-Y309 HydrophobicContact CG2-CE2 3.35Å; I281-Y309 HydrophobicContact CG2-CG 4.02Å; I281-Y309 VanDerWaalsContact CG2-CZ 3.42Å; D282-Y309 VanDerWaalsContact OD1-CE2 3.31Å; D282-Y309 WeakPolarHBondContact OD1-CE2 3.16Å; D282-Y309 PolarHBondContact OD1-OH 3.24Å; R285-Y309 WeakPolarHBondContact CD-OH 3.23Å; R285-Y309 PolarHBondContact NH1-OH 3.04Å; V305-Y309 WeakPolarHBondContact O-CB 3.26Å; V305-Y309 PolarHBondContact O-N 3.44Å; T306-Y309 WeakPolarHBondContact O-CB 3.5Å; T306-Y309 PolarHBondContact O-N 3.19Å; V307-Y309 VanDerWaalsContact C-N 3.26Å; V307-Y309 PolarHBondContact O-N 3.41Å; Y309-M311 PolarHBondContact O-N 3.48Å; Y309-Q312 PolarHBondContact O-N 3.31Å; Y309-K313 HydrophobicContact CD1-CB 4.45Å; Y309-K313 HydrophobicContact CE1-CB 4.05Å; Y309-K313 HydrophobicContact CE1-CG 4.13Å; Y309-K313 HydrophobicContact CE2-CB 4.26Å; Y309-K313 HydrophobicContact CE2-CG 4.4Å; Y309-K313 WeakPolarHBondContact O-CB 3.33Å; Y309-K313 PolarHBondContact O-N 3.45Å
310L98.6Very high96.7Very high0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-62.9-42.7178.4-65.4-178.1000112I212 L213 T306 V307 Q312 K313 L314 A321 I324 V325I212-L310 HydrophobicContact CG2-CD1 3.97Å; I212-L310 HydrophobicContact CG2-CD2 4.29Å; L213-L310 HydrophobicContact CD1-CD2 3.43Å; L213-L310 VanDerWaalsContact CD1-CD2 3.43Å; L213-L310 HydrophobicContact CD2-CD2 4.49Å; L213-L310 HydrophobicContact CG-CD2 3.86Å; T306-L310 WeakPolarHBondContact O-CG 3.36Å; T306-L310 PolarHBondContact O-N 3.48Å; V307-L310 PolarHBondContact O-N 2.97Å; V307-L310 VanDerWaalsContact O-N 3.11Å; L310-Q312 PolarHBondContact O-N 2.76Å; L310-K313 PolarHBondContact O-N 2.92Å; L310-L314 HydrophobicContact CD2-CD1 4.01Å; L310-L314 WeakPolarHBondContact O-CB 3.33Å; L310-L314 PolarHBondContact O-N 3.48Å; L310-A321 HydrophobicContact CB-CB 3.91Å; L310-I324 HydrophobicContact CD1-CB 4.3Å; L310-I324 HydrophobicContact CD1-CG2 3.95Å; L310-V325 HydrophobicContact CD1-CG2 3.61Å
311M98.3Very high96.7Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-56.1-50.3176.7-67165.262.700111.3V307 A308 Y309 N315 L316 M318 A321 L342 F345 E346 L349V307-M311 HydrophobicContact CG1-CG 4.34Å; V307-M311 HydrophobicContact CG1-SD 3.95Å; V307-M311 VanDerWaalsContact O-CG 3.26Å; V307-M311 WeakPolarHBondContact O-CG 3.16Å; V307-M311 PolarHBondContact O-N 3.41Å; A308-M311 PolarHBondContact O-N 3.26Å; Y309-M311 PolarHBondContact O-N 3.48Å; M311-N315 WeakPolarHBondContact O-CA 3.2Å; M311-N315 PolarHBondContact O-N 2.91Å; M311-N315 VanDerWaalsContact O-N 3.08Å; M311-L316 WeakPolarHBondContact CA-O 3.37Å; M311-L316 PolarHBondContact O-N 3.21Å; M311-M318 HydrophobicContact CE-CB 4Å; M311-M318 HydrophobicContact CE-CG 4.37Å; M311-M318 HydrophobicContact SD-CB 4.12Å; M311-M318 HydrophobicContact SD-CG 4.08Å; M311-A321 HydrophobicContact CG-CB 3.56Å; M311-L342 WeakPolarHBondContact CE-O 3.07Å; M311-L342 HydrophobicContact SD-CD2 3.96Å; M311-F345 HydrophobicContact CE-CD1 3.91Å; M311-F345 HydrophobicContact SD-CD1 4.33Å; M311-E346 HydrophobicContact CE-CB 3.51Å; M311-E346 HydrophobicContact CE-CG 4.19Å; M311-L349 HydrophobicContact CB-CD1 3.98Å; M311-L349 HydrophobicContact CE-CD1 4.46Å
312Q97.8Very high96.6Very high83 Ų8330.2 Ų30.239%0.38815%0.151SC..Hα-helixtrans-72.7-41.6-178.7-175.9168.4-8.100112.5I278 A308 Y309 L310 F345 L349I278-Q312 HydrophobicContact CD1-CB 4.05Å; A308-Q312 PolarHBondContact O-N 2.86Å; A308-Q312 VanDerWaalsContact O-N 3.1Å; Y309-Q312 PolarHBondContact O-N 3.31Å; L310-Q312 PolarHBondContact O-N 2.76Å; Q312-F345 HydrophobicContact CB-CE1 4.36Å; Q312-F345 HydrophobicContact CB-CZ 4.25Å; Q312-L349 HydrophobicContact CB-CD1 4.21Å; Q312-L349 HydrophobicContact CB-CD2 4.38Å; Q312-L349 HydrophobicContact CG-CD2 4.23Å
313K97Very high96.2Very high90 Ų9034.3 Ų34.339%0.39117%0.173SC..Hα-helixtrans-77.7-33.7-172.1-168.362.9170.6-167.10113.4D282 Y309 L310D282-K313 WeakPolarHBondContact OD1-CE 3.11Å; D282-K313 IonicContact OD1-NZ 2.62Å; D282-K313 PolarHBondContact OD1-NZ 2.93Å; D282-K313 IonicContact OD2-NZ 2.89Å; D282-K313 PolarHBondContact OD2-NZ 3.16Å; Y309-K313 HydrophobicContact CD1-CB 4.45Å; Y309-K313 HydrophobicContact CE1-CB 4.05Å; Y309-K313 HydrophobicContact CE1-CG 4.13Å; Y309-K313 HydrophobicContact CE2-CB 4.26Å; Y309-K313 HydrophobicContact CE2-CG 4.4Å; Y309-K313 WeakPolarHBondContact O-CB 3.33Å; Y309-K313 PolarHBondContact O-N 3.45Å; L310-K313 PolarHBondContact O-N 2.92Å
314L94.6Very high95.9Very high77 Ų7737 Ų3740%0.40319%0.187SC..Hα-helixtrans-111.55.3-175.4-56.2-178000112.6L213 L310 L316L213-L314 HydrophobicContact CD1-CD1 4.23Å; L213-L314 HydrophobicContact CD2-CD1 4.43Å; L310-L314 HydrophobicContact CD2-CD1 4.01Å; L310-L314 WeakPolarHBondContact O-CB 3.33Å; L310-L314 PolarHBondContact O-N 3.48Å; L314-L316 HydrophobicContact CB-CD1 3.79Å; L314-L316 HydrophobicContact CB-CG 3.72Å; L314-L316 HydrophobicContact CD1-CD1 3.91Å; L314-L316 HydrophobicContact CG-CD1 4.48Å; L314-L316 PolarHBondContact O-N 3.49Å
315N93.7Very high95.8Very high123 Ų12337 Ų3766%0.65819%0.187SC*.THydrogen-bonded Turntrans53.940-177.1-65.392.3000112.7M311 L351M311-N315 WeakPolarHBondContact O-CA 3.2Å; M311-N315 PolarHBondContact O-N 2.91Å; M311-N315 VanDerWaalsContact O-N 3.08Å; N315-L351 HydrophobicContact CB-CD2 4.2Å
316L93.2Very high95.5Very high38 Ų3840.6 Ų40.620%0.19920%0.203CC..  trans-93.6144.1-177.3-67.6175.1000111.8M311 L314 D320 A321 I324 L351M311-L316 WeakPolarHBondContact CA-O 3.37Å; M311-L316 PolarHBondContact O-N 3.21Å; L314-L316 HydrophobicContact CB-CD1 3.79Å; L314-L316 HydrophobicContact CB-CG 3.72Å; L314-L316 HydrophobicContact CD1-CD1 3.91Å; L314-L316 HydrophobicContact CG-CD1 4.48Å; L314-L316 PolarHBondContact O-N 3.49Å; L316-D320 HydrophobicContact CB-CB 4.29Å; L316-D320 HydrophobicContact CD2-CB 4.22Å; L316-A321 HydrophobicContact CB-CB 4.12Å; L316-A321 HydrophobicContact CD1-CB 4.48Å; L316-I324 HydrophobicContact CD1-CD1 3.39Å; L316-L351 WeakPolarHBondContact O-CD1 3.23Å
317S93.9Very high95Very high9 Ų948.6 Ų48.66%0.06324%0.242CC..  trans-57.5158.9167.275.80000110.6N319 D320 A321 E346S317-N319 PolarHBondContact O-N 3.25Å; S317-D320 WeakPolarHBondContact CB-OD2 3.32Å; S317-D320 PolarHBondContact O-N 3.16Å; S317-D320 WeakPolarHBondContact OG-CB 3.35Å; S317-D320 PolarHBondContact OG-N 2.71Å; S317-D320 VanDerWaalsContact OG-N 3.1Å; S317-D320 PolarHBondContact OG-OD2 2.87Å; S317-A321 WeakPolarHBondContact O-CB 3.19Å; S317-A321 PolarHBondContact O-N 3.46Å; S317-E346 WeakPolarHBondContact CA-OE1 3.45Å; S317-E346 WeakPolarHBondContact CB-OE1 3.36Å
318M96.1Very high94.7Very high9 Ų952.9 Ų52.94%0.04426%0.261CS..Hα-helixtrans-56.4-43.1177.3-171-75-71.300110.7M311 Y322 M339 L342 L343 E346M311-M318 HydrophobicContact CE-CB 4Å; M311-M318 HydrophobicContact CE-CG 4.37Å; M311-M318 HydrophobicContact SD-CB 4.12Å; M311-M318 HydrophobicContact SD-CG 4.08Å; M318-Y322 VanDerWaalsContact O-CB 3.27Å; M318-Y322 WeakPolarHBondContact O-CB 3.36Å; M318-Y322 PolarHBondContact O-N 2.84Å; M318-M339 HydrophobicContact CE-CG 4.41Å; M318-M339 HydrophobicContact CE-SD 3.54Å; M318-M339 VanDerWaalsContact CE-SD 3.54Å; M318-M339 HydrophobicContact SD-SD 3.48Å; M318-L342 HydrophobicContact CG-CB 3.62Å; M318-L342 HydrophobicContact SD-CB 4.42Å; M318-L343 HydrophobicContact CB-CD2 4.43Å; M318-L343 HydrophobicContact CE-CD2 3.48Å; M318-L343 VanDerWaalsContact CE-CD2 3.48Å; M318-L343 HydrophobicContact CE-CG 3.9Å; M318-L343 HydrophobicContact CG-CD2 4.44Å; M318-E346 HydrophobicContact CB-CB 4.38Å; M318-E346 PolarHBondContact N-OE1 3.35Å
319N90.5Very high94.3Very high83 Ų8353.4 Ų53.444%0.44426%0.263SS..Hα-helixtrans-65.5-47.8179.6-66.2-35.7000112S317 A321 Y322 D323S317-N319 PolarHBondContact O-N 3.25Å; N319-A321 VanDerWaalsContact C-N 3.33Å; N319-A321 PolarHBondContact O-N 2.79Å; N319-Y322 WeakPolarHBondContact O-CB 3.48Å; N319-Y322 PolarHBondContact O-N 2.73Å; N319-D323 WeakPolarHBondContact O-CB 3.24Å; N319-D323 PolarHBondContact O-N 2.97Å
320D90.9Very high93.7Very high76 Ų7658 Ų5841%0.40630%0.296SS..Hα-helixtrans-63-42.2-180-61.1-40.9000111.2L316 S317 D323 I324L316-D320 HydrophobicContact CB-CB 4.29Å; L316-D320 HydrophobicContact CD2-CB 4.22Å; S317-D320 WeakPolarHBondContact CB-OD2 3.32Å; S317-D320 PolarHBondContact O-N 3.16Å; S317-D320 WeakPolarHBondContact OG-CB 3.35Å; S317-D320 PolarHBondContact OG-N 2.71Å; S317-D320 VanDerWaalsContact OG-N 3.1Å; S317-D320 PolarHBondContact OG-OD2 2.87Å; D320-D323 PolarHBondContact O-N 2.79Å; D320-I324 WeakPolarHBondContact O-CG1 3.21Å; D320-I324 PolarHBondContact O-N 3.03Å; D320-I324 VanDerWaalsContact O-N 3.07Å
321A96.8Very high93.1Very high0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-63.7-41.5176.200000111.9V307 L310 M311 L316 S317 N319 V325V307-A321 HydrophobicContact CG1-CB 3.87Å; L310-A321 HydrophobicContact CB-CB 3.91Å; M311-A321 HydrophobicContact CG-CB 3.56Å; L316-A321 HydrophobicContact CB-CB 4.12Å; L316-A321 HydrophobicContact CD1-CB 4.48Å; S317-A321 WeakPolarHBondContact O-CB 3.19Å; S317-A321 PolarHBondContact O-N 3.46Å; N319-A321 VanDerWaalsContact C-N 3.33Å; N319-A321 PolarHBondContact O-N 2.79Å; A321-V325 WeakPolarHBondContact O-CG2 3.29Å; A321-V325 PolarHBondContact O-N 3.15Å
322Y95.8Very high92.8Very high45 Ų4561.9 Ų61.918%0.17632%0.316CS..Hα-helixtrans-62.7-45.7175.5-178.1-91.8000111.8V307 M318 N319 I324 V325 K326 I332 P334 M339V307-Y322 HydrophobicContact CG2-CD2 4.45Å; M318-Y322 VanDerWaalsContact O-CB 3.27Å; M318-Y322 WeakPolarHBondContact O-CB 3.36Å; M318-Y322 PolarHBondContact O-N 2.84Å; N319-Y322 WeakPolarHBondContact O-CB 3.48Å; N319-Y322 PolarHBondContact O-N 2.73Å; Y322-I324 PolarHBondContact O-N 2.89Å; Y322-V325 PolarHBondContact O-N 3.31Å; Y322-V325 VanDerWaalsContact O-N 3.13Å; Y322-K326 HydrophobicContact CD1-CB 4.5Å; Y322-K326 HydrophobicContact CE1-CB 4.33Å; Y322-K326 HydrophobicContact CE1-CD 4.41Å; Y322-K326 HydrophobicContact CE1-CG 4.47Å; Y322-K326 WeakPolarHBondContact O-CB 3.34Å; Y322-K326 PolarHBondContact O-N 3.47Å; Y322-I332 HydrophobicContact CD2-CD1 3.97Å; Y322-I332 HydrophobicContact CE1-CD1 4.24Å; Y322-I332 HydrophobicContact CE2-CD1 3.59Å; Y322-I332 HydrophobicContact CE2-CG1 4.15Å; Y322-I332 HydrophobicContact CG-CD1 4.44Å; Y322-P334 HydrophobicContact CE2-CG 4Å; Y322-M339 HydrophobicContact CD2-CE 3.9Å; Y322-M339 HydrophobicContact CE2-CE 3.71Å
323D90.9Very high92.5Very high86 Ų8661 Ų6146%0.4632%0.319SS..Hα-helixtrans-64.1-38.9-178.5-75.4-16.2000111.8N319 D320 V325 K326 M327N319-D323 WeakPolarHBondContact O-CB 3.24Å; N319-D323 PolarHBondContact O-N 2.97Å; D320-D323 PolarHBondContact O-N 2.79Å; D323-V325 VanDerWaalsContact C-N 3.3Å; D323-V325 PolarHBondContact O-N 3.45Å; D323-K326 PolarHBondContact O-N 3.42Å; D323-M327 WeakPolarHBondContact O-CB 3.26Å; D323-M327 VanDerWaalsContact O-CG 3.28Å; D323-M327 WeakPolarHBondContact O-CG 3.4Å; D323-M327 PolarHBondContact O-N 3.46Å
324I93.6Very high92.3Very high57 Ų5757.3 Ų57.329%0.29230%0.304SS..Hα-helixtrans-57.1-45.3172.7-71.6172.3000111.1L310 L316 D320 Y322 K328L310-I324 HydrophobicContact CD1-CB 4.3Å; L310-I324 HydrophobicContact CD1-CG2 3.95Å; L316-I324 HydrophobicContact CD1-CD1 3.39Å; D320-I324 WeakPolarHBondContact O-CG1 3.21Å; D320-I324 PolarHBondContact O-N 3.03Å; D320-I324 VanDerWaalsContact O-N 3.07Å; Y322-I324 PolarHBondContact O-N 2.89Å; I324-K328 PolarHBondContact O-N 2.94Å
325V96.5Very high92Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-69.7-39.6178.4-173.80000110.4I212 L218 V303 T306 V307 L310 A321 Y322 D323 M327 K328 K329 I332I212-V325 HydrophobicContact CD1-CG1 4.05Å; I212-V325 HydrophobicContact CG2-CG2 4.28Å; L218-V325 HydrophobicContact CD2-CG1 3.75Å; V303-V325 HydrophobicContact CG1-CG1 4.31Å; T306-V325 HydrophobicContact CG2-CG2 4.11Å; V307-V325 HydrophobicContact CG2-CB 4.44Å; V307-V325 HydrophobicContact CG2-CG2 3.93Å; L310-V325 HydrophobicContact CD1-CG2 3.61Å; A321-V325 WeakPolarHBondContact O-CG2 3.29Å; A321-V325 PolarHBondContact O-N 3.15Å; Y322-V325 PolarHBondContact O-N 3.31Å; Y322-V325 VanDerWaalsContact O-N 3.13Å; D323-V325 VanDerWaalsContact C-N 3.3Å; D323-V325 PolarHBondContact O-N 3.45Å; V325-M327 PolarHBondContact O-N 3.3Å; V325-K328 PolarHBondContact O-N 2.82Å; V325-K329 PolarHBondContact O-N 2.93Å; V325-I332 HydrophobicContact CB-CD1 3.92Å; V325-I332 HydrophobicContact CG1-CD1 3.89Å; V325-I332 HydrophobicContact CG1-CG2 3.95Å
326K91Very high91.5Very high76 Ų7653.7 Ų53.733%0.3328%0.281SS..Hα-helixtrans-63-40.7179.5-17065.3166.3-174.30112.4Y322 D323 K328 K329 S330 I332Y322-K326 HydrophobicContact CD1-CB 4.5Å; Y322-K326 HydrophobicContact CE1-CB 4.33Å; Y322-K326 HydrophobicContact CE1-CD 4.41Å; Y322-K326 HydrophobicContact CE1-CG 4.47Å; Y322-K326 WeakPolarHBondContact O-CB 3.34Å; Y322-K326 PolarHBondContact O-N 3.47Å; D323-K326 PolarHBondContact O-N 3.42Å; K326-K328 PolarHBondContact O-N 3.39Å; K326-K329 CarbonylContact O-C 3.32Å; K326-K329 PolarHBondContact O-N 3.43Å; K326-S330 WeakPolarHBondContact CE-O 3.39Å; K326-S330 PolarHBondContact NZ-O 3.31Å; K326-S330 WeakPolarHBondContact O-CA 3.4Å; K326-S330 PolarHBondContact O-N 2.95Å; K326-I332 HydrophobicContact CB-CD1 3.89Å; K326-I332 HydrophobicContact CB-CG1 4.24Å; K326-I332 HydrophobicContact CD-CD1 4.06Å; K326-I332 HydrophobicContact CD-CG1 3.46Å; K326-I332 VanDerWaalsContact CD-CG1 3.46Å; K326-I332 HydrophobicContact CG-CG1 4.47Å; K326-I332 PolarHBondContact NZ-O 3.06Å
327M90.1Very high91.3Very high168 Ų16853.7 Ų53.783%0.82828%0.281SS*.Hα-helixtrans-62.1-34.1176.9-76-17966.600112.2D323 V325D323-M327 WeakPolarHBondContact O-CB 3.26Å; D323-M327 VanDerWaalsContact O-CG 3.28Å; D323-M327 WeakPolarHBondContact O-CG 3.4Å; D323-M327 PolarHBondContact O-N 3.46Å; V325-M327 PolarHBondContact O-N 3.3Å
328K91.4Very high91.5Very high91 Ų9153.3 Ų53.340%0.39628%0.278SS..Hα-helixtrans-87.3-28.8178.3-67.4-172160-156.10113.2V210 E211 I212 I324 V325 K326V210-K328 HydrophobicContact CG1-CB 3.87Å; E211-K328 WeakPolarHBondContact O-CD 3.46Å; E211-K328 PolarHBondContact O-NZ 3.4Å; I212-K328 VanDerWaalsContact C-NZ 3.35Å; I212-K328 HydrophobicContact CD1-CB 4.07Å; I212-K328 HydrophobicContact CD1-CD 4.17Å; I212-K328 WeakPolarHBondContact O-CE 3.37Å; I212-K328 PolarHBondContact O-NZ 3.45Å; I324-K328 PolarHBondContact O-N 2.94Å; V325-K328 PolarHBondContact O-N 2.82Å; K326-K328 PolarHBondContact O-N 3.39Å
329K89.7Confident91.4Very high10 Ų1055 Ų554%0.04329%0.287CS..  trans-139.997.1179.9-176.6170.8172.355.80110.1F208 V210 L218 G298 V325 K326 N331 I332F208-K329 HydrophobicContact CE1-CD 4.41Å; V210-K329 HydrophobicContact CG2-CB 4.46Å; V210-K329 HydrophobicContact CG2-CD 4.42Å; L218-K329 HydrophobicContact CD2-CD 3.87Å; L218-K329 HydrophobicContact CG-CD 4.37Å; G298-K329 WeakPolarHBondContact O-CE 3.46Å; V325-K329 PolarHBondContact O-N 2.93Å; K326-K329 CarbonylContact O-C 3.32Å; K326-K329 PolarHBondContact O-N 3.43Å; K329-N331 VanDerWaalsContact C-N 3.26Å; K329-N331 VanDerWaalsContact CE-OD1 3.29Å; K329-N331 WeakPolarHBondContact CE-OD1 3.27Å; K329-N331 VanDerWaalsContact CG-OD1 3.25Å; K329-N331 WeakPolarHBondContact CG-OD1 3.33Å; K329-N331 PolarHBondContact NZ-OD1 3.38Å; K329-N331 PolarHBondContact O-N 2.86Å; K329-I332 HydrophobicContact CB-CG2 3.93Å; K329-I332 HydrophobicContact CD-CG2 3.9Å; K329-I332 HydrophobicContact CG-CG2 3.77Å; K329-I332 WeakPolarHBondContact O-CG2 3.2Å; K329-I332 PolarHBondContact O-N 3.1Å
330S87.7Confident91.2Very high98 Ų9852.4 Ų52.469%0.68528%0.279SS*.THydrogen-bonded Turntrans-66-23.2-17360.50000114.4K326K326-S330 WeakPolarHBondContact CE-O 3.39Å; K326-S330 PolarHBondContact NZ-O 3.31Å; K326-S330 WeakPolarHBondContact O-CA 3.4Å; K326-S330 PolarHBondContact O-N 2.95Å
331N86.3Confident91.5Very high78 Ų7849.5 Ų49.542%0.41726%0.264SS..THydrogen-bonded Turntrans-93.515.5-178.275.1-25.4000114.5K329K329-N331 VanDerWaalsContact C-N 3.26Å; K329-N331 VanDerWaalsContact CE-OD1 3.29Å; K329-N331 WeakPolarHBondContact CE-OD1 3.27Å; K329-N331 VanDerWaalsContact CG-OD1 3.25Å; K329-N331 WeakPolarHBondContact CG-OD1 3.33Å; K329-N331 PolarHBondContact NZ-OD1 3.38Å; K329-N331 PolarHBondContact O-N 2.86Å
332I92.1Very high91.5Very high2 Ų249.5 Ų49.51%0.0126%0.264CS..  trans-64.4140.4172.166.7168.6000111.5V303 Y322 V325 K326 K329V303-I332 HydrophobicContact CB-CG2 4.38Å; V303-I332 HydrophobicContact CG1-CB 3.9Å; V303-I332 HydrophobicContact CG1-CD1 3.96Å; V303-I332 HydrophobicContact CG1-CG2 3.99Å; V303-I332 HydrophobicContact CG2-CB 3.91Å; V303-I332 HydrophobicContact CG2-CG2 3.44Å; V303-I332 VanDerWaalsContact CG2-CG2 3.44Å; Y322-I332 HydrophobicContact CD2-CD1 3.97Å; Y322-I332 HydrophobicContact CE1-CD1 4.24Å; Y322-I332 HydrophobicContact CE2-CD1 3.59Å; Y322-I332 HydrophobicContact CE2-CG1 4.15Å; Y322-I332 HydrophobicContact CG-CD1 4.44Å; V325-I332 HydrophobicContact CB-CD1 3.92Å; V325-I332 HydrophobicContact CG1-CD1 3.89Å; V325-I332 HydrophobicContact CG1-CG2 3.95Å; K326-I332 HydrophobicContact CB-CD1 3.89Å; K326-I332 HydrophobicContact CB-CG1 4.24Å; K326-I332 HydrophobicContact CD-CD1 4.06Å; K326-I332 HydrophobicContact CD-CG1 3.46Å; K326-I332 VanDerWaalsContact CD-CG1 3.46Å; K326-I332 HydrophobicContact CG-CG1 4.47Å; K326-I332 PolarHBondContact NZ-O 3.06Å; K329-I332 HydrophobicContact CB-CG2 3.93Å; K329-I332 HydrophobicContact CD-CG2 3.9Å; K329-I332 HydrophobicContact CG-CG2 3.77Å; K329-I332 WeakPolarHBondContact O-CG2 3.2Å; K329-I332 PolarHBondContact O-N 3.1Å
333S90.8Very high91.5Very high66 Ų6650.9 Ų50.946%0.46227%0.274SS..  trans-160.276.7179.2-167.40000110.1I299 S300I299-S333 CarbonylContact O-C 3.57Å; I299-S333 PolarHBondContact O-N 3.36Å; S300-S333 WeakPolarHBondContact CB-O 3.36Å
334P92Very high91.6Very high11 Ų1150.7 Ų50.77%0.07127%0.272CS..  trans-54.1138.9168.4-24.235.5000111.5V303 Y322 M339V303-P334 HydrophobicContact CB-CG 4.24Å; V303-P334 HydrophobicContact CG1-CG 3.66Å; Y322-P334 HydrophobicContact CE2-CG 4Å; P334-M339 HydrophobicContact CB-CE 4.2Å; P334-M339 HydrophobicContact CG-CE 4.15Å
335N89.9Confident91.8Very high28 Ų2849 Ų4915%0.1526%0.263CS..  trans-61.2152.8173.37955.9000110.7D264 S300 N337 F338 M339D264-N335 PolarHBondContact OD1-ND2 3.11Å; S300-N335 PolarHBondContact OG-N 2.86Å; S300-N335 VanDerWaalsContact OG-N 3.09Å; N335-N337 PolarHBondContact O-N 2.82Å; N335-N337 VanDerWaalsContact O-N 3.11Å; N335-N337 WeakPolarHBondContact OD1-CA 3.1Å; N335-N337 WeakPolarHBondContact OD1-CB 3.5Å; N335-N337 PolarHBondContact OD1-N 3.37Å; N335-F338 WeakPolarHBondContact ND2-CD2 3.3Å; N335-F338 WeakPolarHBondContact ND2-CE2 3.19Å; N335-F338 WeakPolarHBondContact ND2-CZ 3.39Å; N335-F338 PolarHBondContact O-N 3.32Å; N335-F338 PolarHBondContact OD1-N 3.28Å; N335-M339 PolarHBondContact O-N 3.25Å
336F81.6Confident91.9Very high96 Ų9649.7 Ų49.742%0.42127%0.266SS..Hα-helixtrans-58.4-30.8-17370.3-89.5000113.9W266 M339 G340W266-F336 HydrophobicContact CB-CE1 3.86Å; W266-F336 HydrophobicContact CB-CE2 4.32Å; W266-F336 HydrophobicContact CB-CZ 3.46Å; W266-F336 VanDerWaalsContact CB-CZ 3.46Å; W266-F336 HydrophobicContact CG-CZ 4.34Å; F336-M339 PolarHBondContact O-N 2.76Å; F336-G340 PolarHBondContact O-N 3.18Å
337N89.8Confident92Very high39 Ų3954.5 Ų54.521%0.20928%0.282CS..Hα-helixtrans-71.6-41.5178.816763.3000110.5W266 Q268 N335 M339 G340 Q341W266-N337 HydrophobicContact CB-CB 4.33Å; W266-N337 PolarHBondContact O-ND2 3.33Å; W266-N337 PolarHBondContact O-OD1 3.14Å; Q268-N337 PolarHBondContact O-ND2 2.8Å; N335-N337 PolarHBondContact O-N 2.82Å; N335-N337 VanDerWaalsContact O-N 3.11Å; N335-N337 WeakPolarHBondContact OD1-CA 3.1Å; N335-N337 WeakPolarHBondContact OD1-CB 3.5Å; N335-N337 PolarHBondContact OD1-N 3.37Å; N337-M339 VanDerWaalsContact C-N 3.31Å; N337-M339 PolarHBondContact O-N 3.07Å; N337-G340 PolarHBondContact O-N 3.11Å; N337-Q341 PolarHBondContact ND2-NE2 2.79Å; N337-Q341 WeakPolarHBondContact O-CG 3.13Å; N337-Q341 PolarHBondContact O-N 3.23Å; N337-Q341 PolarHBondContact OD1-NE2 2.91Å
338F97.4Very high92.2Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-66.1-34.3172.3-65.9-17.4000112.5I262 Q268 L270 R301 T304 N335 Q341 L342I262-F338 HydrophobicContact CG2-CE1 4.37Å; I262-F338 HydrophobicContact CG2-CZ 3.77Å; Q268-F338 HydrophobicContact CB-CE1 4.08Å; Q268-F338 HydrophobicContact CB-CZ 4.23Å; L270-F338 HydrophobicContact CB-CD1 3.81Å; L270-F338 HydrophobicContact CB-CE1 3.59Å; L270-F338 HydrophobicContact CB-CZ 4.16Å; L270-F338 HydrophobicContact CD2-CD1 4.25Å; L270-F338 HydrophobicContact CD2-CD2 4.07Å; L270-F338 HydrophobicContact CD2-CE1 4.21Å; L270-F338 HydrophobicContact CD2-CE2 4.04Å; L270-F338 HydrophobicContact CD2-CG 4.21Å; L270-F338 HydrophobicContact CD2-CZ 4.12Å; R301-F338 HydrophobicContact CB-CE2 4.45Å; R301-F338 HydrophobicContact CG-CD2 4.4Å; R301-F338 HydrophobicContact CG-CE2 3.48Å; R301-F338 VanDerWaalsContact CG-CE2 3.48Å; R301-F338 HydrophobicContact CG-CZ 4.13Å; T304-F338 HydrophobicContact CG2-CB 3.77Å; T304-F338 HydrophobicContact CG2-CG 4.31Å; T304-F338 WeakPolarHBondContact OG1-CB 3.37Å; N335-F338 WeakPolarHBondContact ND2-CD2 3.3Å; N335-F338 WeakPolarHBondContact ND2-CE2 3.19Å; N335-F338 WeakPolarHBondContact ND2-CZ 3.39Å; N335-F338 PolarHBondContact O-N 3.32Å; N335-F338 PolarHBondContact OD1-N 3.28Å; F338-Q341 PolarHBondContact O-N 3.42Å; F338-L342 WeakPolarHBondContact O-CG 3.14Å; F338-L342 PolarHBondContact O-N 3.18Å
339M95.6Very high92.3Very high45 Ų4549.9 Ų49.922%0.22227%0.269CS..Hα-helixtrans-61.4-44.4170.9-167.360.170.500111.8M318 Y322 P334 N335 F336 N337 Q341 L342 L343M318-M339 HydrophobicContact CE-CG 4.41Å; M318-M339 HydrophobicContact CE-SD 3.54Å; M318-M339 VanDerWaalsContact CE-SD 3.54Å; M318-M339 HydrophobicContact SD-SD 3.48Å; Y322-M339 HydrophobicContact CD2-CE 3.9Å; Y322-M339 HydrophobicContact CE2-CE 3.71Å; P334-M339 HydrophobicContact CB-CE 4.2Å; P334-M339 HydrophobicContact CG-CE 4.15Å; N335-M339 PolarHBondContact O-N 3.25Å; F336-M339 PolarHBondContact O-N 2.76Å; N337-M339 VanDerWaalsContact C-N 3.31Å; N337-M339 PolarHBondContact O-N 3.07Å; M339-Q341 VanDerWaalsContact C-N 3.32Å; M339-Q341 PolarHBondContact O-N 3.14Å; M339-L342 PolarHBondContact O-N 3.41Å; M339-L342 HydrophobicContact SD-CD1 4.37Å; M339-L343 PolarHBondContact O-N 3.05Å; M339-L343 VanDerWaalsContact O-N 3.09Å
340G85.2Confident92.2Very high28 Ų2852.2 Ų52.229%0.28930%0.296SS..Hα-helixtrans-60.2-40.9173.600000112.9F336 N337 L342 L343 D344F336-G340 PolarHBondContact O-N 3.18Å; N337-G340 PolarHBondContact O-N 3.11Å; G340-L342 VanDerWaalsContact C-N 3.33Å; G340-L342 PolarHBondContact O-N 2.93Å; G340-L343 WeakPolarHBondContact O-CB 3.24Å; G340-L343 PolarHBondContact O-N 3.11Å; G340-D344 PolarHBondContact O-N 3.26Å
341Q97.2Very high91.9Very high16 Ų1649.1 Ų49.18%0.07527%0.272CS..Hα-helixtrans-65.1-33.7176.1-75.4172.936.800113.3Q268 N337 F338 M339 F345Q268-Q341 PolarHBondContact O-NE2 3.21Å; N337-Q341 PolarHBondContact ND2-NE2 2.79Å; N337-Q341 WeakPolarHBondContact O-CG 3.13Å; N337-Q341 PolarHBondContact O-N 3.23Å; N337-Q341 PolarHBondContact OD1-NE2 2.91Å; F338-Q341 PolarHBondContact O-N 3.42Å; M339-Q341 VanDerWaalsContact C-N 3.32Å; M339-Q341 PolarHBondContact O-N 3.14Å; Q341-F345 VanDerWaalsContact O-CB 3.31Å; Q341-F345 WeakPolarHBondContact O-CB 3.46Å; Q341-F345 PolarHBondContact O-N 3.31Å
342L98Very high90.7Very high0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-67.8-41.5172.8-71.7168.8000111.7F274 T304 V307 A308 M311 M318 F338 M339 G340 D344 F345 E346F274-L342 HydrophobicContact CE2-CD2 4.15Å; F274-L342 HydrophobicContact CZ-CD2 3.93Å; T304-L342 HydrophobicContact CG2-CD1 3.95Å; T304-L342 HydrophobicContact CG2-CD2 4Å; T304-L342 HydrophobicContact CG2-CG 3.84Å; V307-L342 HydrophobicContact CB-CD1 4.15Å; V307-L342 HydrophobicContact CB-CD2 4.32Å; V307-L342 HydrophobicContact CG1-CD1 3.9Å; V307-L342 HydrophobicContact CG1-CD2 4.11Å; A308-L342 HydrophobicContact CB-CD2 3.79Å; M311-L342 WeakPolarHBondContact CE-O 3.07Å; M311-L342 HydrophobicContact SD-CD2 3.96Å; M318-L342 HydrophobicContact CG-CB 3.62Å; M318-L342 HydrophobicContact SD-CB 4.42Å; F338-L342 WeakPolarHBondContact O-CG 3.14Å; F338-L342 PolarHBondContact O-N 3.18Å; M339-L342 PolarHBondContact O-N 3.41Å; M339-L342 HydrophobicContact SD-CD1 4.37Å; G340-L342 VanDerWaalsContact C-N 3.33Å; G340-L342 PolarHBondContact O-N 2.93Å; L342-D344 VanDerWaalsContact C-N 3.34Å; L342-D344 PolarHBondContact O-N 3.39Å; L342-F345 WeakPolarHBondContact O-CB 3.41Å; L342-F345 PolarHBondContact O-N 2.92Å; L342-E346 PolarHBondContact O-N 3.07Å
343L94.7Very high89.1Confident74 Ų7454.4 Ų54.439%0.38729%0.293SS..Hα-helixtrans-62.5-41.1174.5-70.1169000112M318 M339 G340 F345 E346 R347M318-L343 HydrophobicContact CB-CD2 4.43Å; M318-L343 HydrophobicContact CE-CD2 3.48Å; M318-L343 VanDerWaalsContact CE-CD2 3.48Å; M318-L343 HydrophobicContact CE-CG 3.9Å; M318-L343 HydrophobicContact CG-CD2 4.44Å; M339-L343 PolarHBondContact O-N 3.05Å; M339-L343 VanDerWaalsContact O-N 3.09Å; G340-L343 WeakPolarHBondContact O-CB 3.24Å; G340-L343 PolarHBondContact O-N 3.11Å; L343-F345 VanDerWaalsContact C-N 3.33Å; L343-E346 WeakPolarHBondContact O-CB 3.47Å; L343-E346 PolarHBondContact O-N 3.06Å; L343-R347 PolarHBondContact O-N 2.99Å
344D94.2Very high87.3Confident81 Ų8156.2 Ų56.243%0.43330%0.303SS..Hα-helixtrans-65.6-39.4174.2-74.4-31.9000111.2G340 L342 R347 T348G340-D344 PolarHBondContact O-N 3.26Å; L342-D344 VanDerWaalsContact C-N 3.34Å; L342-D344 PolarHBondContact O-N 3.39Å; D344-R347 WeakPolarHBondContact O-CB 3.02Å; D344-R347 PolarHBondContact O-N 3.06Å; D344-R347 IonicContact OD1-CZ 2.92Å; D344-R347 IonicContact OD1-NH1 2.6Å; D344-R347 PolarHBondContact OD1-NH1 2.92Å; D344-R347 IonicContact OD1-NH2 2.75Å; D344-R347 PolarHBondContact OD1-NH2 2.64Å; D344-T348 WeakPolarHBondContact O-CG2 3.2Å; D344-T348 PolarHBondContact O-N 2.95Å; D344-T348 VanDerWaalsContact O-N 3.14Å
345F97.9Very high85.2Confident23 Ų2360.4 Ų60.410%0.10133%0.332CS..Hα-helixtrans-63.5-42.1175.7-175.4-121.9000112.4F274 I278 A308 M311 Q312 Q341 L342 L343 R347 T348 L349F274-F345 HydrophobicContact CB-CE2 4.42Å; F274-F345 HydrophobicContact CB-CZ 4.42Å; F274-F345 HydrophobicContact CD2-CB 4.08Å; F274-F345 AromaticContact CD2-CD1 3.86Å; F274-F345 HydrophobicContact CD2-CD1 3.86Å; F274-F345 AromaticContact CD2-CD2 3.82Å; F274-F345 HydrophobicContact CD2-CD2 3.82Å; F274-F345 HydrophobicContact CD2-CE1 4.2Å; F274-F345 HydrophobicContact CD2-CE2 4.17Å; F274-F345 AromaticContact CD2-CG 3.65Å; F274-F345 HydrophobicContact CD2-CG 3.65Å; F274-F345 HydrophobicContact CD2-CZ 4.35Å; F274-F345 HydrophobicContact CE2-CB 3.9Å; F274-F345 HydrophobicContact CE2-CD1 4.14Å; F274-F345 HydrophobicContact CE2-CD2 4.5Å; F274-F345 AromaticContact CE2-CG 3.94Å; F274-F345 HydrophobicContact CE2-CG 3.94Å; I278-F345 HydrophobicContact CD1-CE1 4.38Å; I278-F345 HydrophobicContact CD1-CZ 4.05Å; A308-F345 HydrophobicContact CB-CD1 4.09Å; A308-F345 HydrophobicContact CB-CE1 3.97Å; M311-F345 HydrophobicContact CE-CD1 3.91Å; M311-F345 HydrophobicContact SD-CD1 4.33Å; Q312-F345 HydrophobicContact CB-CE1 4.36Å; Q312-F345 HydrophobicContact CB-CZ 4.25Å; Q341-F345 VanDerWaalsContact O-CB 3.31Å; Q341-F345 WeakPolarHBondContact O-CB 3.46Å; Q341-F345 PolarHBondContact O-N 3.31Å; L342-F345 WeakPolarHBondContact O-CB 3.41Å; L342-F345 PolarHBondContact O-N 2.92Å; L343-F345 VanDerWaalsContact C-N 3.33Å; F345-R347 VanDerWaalsContact C-N 3.26Å; F345-R347 PolarHBondContact O-N 2.91Å; F345-T348 WeakPolarHBondContact CD2-OG1 3.44Å; F345-T348 WeakPolarHBondContact O-CA 3.12Å; F345-T348 PolarHBondContact O-N 3.18Å; F345-T348 PolarHBondContact O-OG1 3.32Å; F345-L349 HydrophobicContact CD1-CD1 4.01Å; F345-L349 HydrophobicContact CD1-CG 4.49Å; F345-L349 HydrophobicContact CE1-CD1 3.63Å; F345-L349 HydrophobicContact CE1-CD2 4.47Å; F345-L349 HydrophobicContact CE1-CG 4.2Å; F345-L349 HydrophobicContact CE2-CD2 4.17Å; F345-L349 HydrophobicContact CE2-CG 4.3Å; F345-L349 HydrophobicContact CZ-CD1 3.96Å; F345-L349 HydrophobicContact CZ-CD2 3.95Å; F345-L349 HydrophobicContact CZ-CG 4.1Å; F345-L349 WeakPolarHBondContact O-CG 3.27Å; F345-L349 PolarHBondContact O-N 3.38Å
346E96.8Very high83.2Confident13 Ų1363.6 Ų63.66%0.06135%0.349CS..Hα-helixtrans-53.2-45.4173.1-173.3178.2-139.700111.7M311 S317 M318 L342 L343 T348 L349 G350 L351 S353M311-E346 HydrophobicContact CE-CB 3.51Å; M311-E346 HydrophobicContact CE-CG 4.19Å; S317-E346 WeakPolarHBondContact CA-OE1 3.45Å; S317-E346 WeakPolarHBondContact CB-OE1 3.36Å; M318-E346 HydrophobicContact CB-CB 4.38Å; M318-E346 PolarHBondContact N-OE1 3.35Å; L342-E346 PolarHBondContact O-N 3.07Å; L343-E346 WeakPolarHBondContact O-CB 3.47Å; L343-E346 PolarHBondContact O-N 3.06Å; E346-T348 VanDerWaalsContact C-N 3.32Å; E346-T348 PolarHBondContact O-N 3.24Å; E346-L349 PolarHBondContact O-N 3.29Å; E346-L349 VanDerWaalsContact O-N 3.15Å; E346-G350 PolarHBondContact O-N 3.27Å; E346-L351 HydrophobicContact CG-CB 4.03Å; E346-L351 PolarHBondContact O-N 3.44Å; E346-S353 PolarHBondContact OE1-OG 3.18Å
347R93.3Very high81.3Confident177 Ų17766.1 Ų66.167%0.66837%0.367SS*.Hα-helixtrans-60.7-40.5176.2-165-172.9-59.4118.58.4111.6L343 D344 F345 L349 G350L343-R347 PolarHBondContact O-N 2.99Å; D344-R347 WeakPolarHBondContact O-CB 3.02Å; D344-R347 PolarHBondContact O-N 3.06Å; D344-R347 IonicContact OD1-CZ 2.92Å; D344-R347 IonicContact OD1-NH1 2.6Å; D344-R347 PolarHBondContact OD1-NH1 2.92Å; D344-R347 IonicContact OD1-NH2 2.75Å; D344-R347 PolarHBondContact OD1-NH2 2.64Å; F345-R347 VanDerWaalsContact C-N 3.26Å; F345-R347 PolarHBondContact O-N 2.91Å; R347-L349 VanDerWaalsContact C-N 3.3Å; R347-L349 PolarHBondContact O-N 2.88Å; R347-G350 PolarHBondContact O-N 2.99Å
348T95.4Very high79Confident107 Ų10775.6 Ų75.666%0.65640%0.399SS*.Hα-helixtrans-67.6-28.8177.167.10000113.4D344 F345 E346 G350D344-T348 WeakPolarHBondContact O-CG2 3.2Å; D344-T348 PolarHBondContact O-N 2.95Å; D344-T348 VanDerWaalsContact O-N 3.14Å; F345-T348 WeakPolarHBondContact CD2-OG1 3.44Å; F345-T348 WeakPolarHBondContact O-CA 3.12Å; F345-T348 PolarHBondContact O-N 3.18Å; F345-T348 PolarHBondContact O-OG1 3.32Å; E346-T348 VanDerWaalsContact C-N 3.32Å; E346-T348 PolarHBondContact O-N 3.24Å; T348-G350 VanDerWaalsContact C-N 3.26Å; T348-G350 PolarHBondContact O-N 2.6Å
349L93.1Very high76.3Confident55 Ų5583.8 Ų83.829%0.28844%0.44SS..Hα-helixtrans-78.4-10.3175.3-64.1178.6000112.9M311 Q312 F345 E346 R347 L351M311-L349 HydrophobicContact CB-CD1 3.98Å; M311-L349 HydrophobicContact CE-CD1 4.46Å; Q312-L349 HydrophobicContact CB-CD1 4.21Å; Q312-L349 HydrophobicContact CB-CD2 4.38Å; Q312-L349 HydrophobicContact CG-CD2 4.23Å; F345-L349 HydrophobicContact CD1-CD1 4.01Å; F345-L349 HydrophobicContact CD1-CG 4.49Å; F345-L349 HydrophobicContact CE1-CD1 3.63Å; F345-L349 HydrophobicContact CE1-CD2 4.47Å; F345-L349 HydrophobicContact CE1-CG 4.2Å; F345-L349 HydrophobicContact CE2-CD2 4.17Å; F345-L349 HydrophobicContact CE2-CG 4.3Å; F345-L349 HydrophobicContact CZ-CD1 3.96Å; F345-L349 HydrophobicContact CZ-CD2 3.95Å; F345-L349 HydrophobicContact CZ-CG 4.1Å; F345-L349 WeakPolarHBondContact O-CG 3.27Å; F345-L349 PolarHBondContact O-N 3.38Å; E346-L349 PolarHBondContact O-N 3.29Å; E346-L349 VanDerWaalsContact O-N 3.15Å; R347-L349 VanDerWaalsContact C-N 3.3Å; R347-L349 PolarHBondContact O-N 2.88Å; L349-L351 HydrophobicContact CB-CD1 3.89Å; L349-L351 HydrophobicContact CB-CG 3.77Å; L349-L351 HydrophobicContact CD1-CD1 3.83Å; L349-L351 PolarHBondContact O-N 2.95Å
350G87.1Confident73.7Confident60 Ų6084.4 Ų84.462%0.61945%0.452SS*.THydrogen-bonded Turntrans69.221.6-17800000113.8E346 R347 T348E346-G350 PolarHBondContact O-N 3.27Å; R347-G350 PolarHBondContact O-N 2.99Å; T348-G350 VanDerWaalsContact C-N 3.26Å; T348-G350 PolarHBondContact O-N 2.6Å
351L81Confident71.5Confident33 Ų3387.1 Ų87.117%0.17346%0.464CS..PPolyproline II helixtrans-79125.7178.8-58.3175.2000108.7N315 L316 E346 L349N315-L351 HydrophobicContact CB-CD2 4.2Å; L316-L351 WeakPolarHBondContact O-CD1 3.23Å; E346-L351 HydrophobicContact CG-CB 4.03Å; E346-L351 PolarHBondContact O-N 3.44Å; L349-L351 HydrophobicContact CB-CD1 3.89Å; L349-L351 HydrophobicContact CB-CG 3.77Å; L349-L351 HydrophobicContact CD1-CD1 3.83Å; L349-L351 PolarHBondContact O-N 2.95Å
352K62.6Low68.9Low174 Ų17493.2 Ų93.276%0.75751%0.505SS*.PPolyproline II helixtrans-86.5124.1177.6-66.2-174.8-180-175.90109.1
353S57.1Low66.5Low16 Ų1698.1 Ų98.111%0.11254%0.54CS..PPolyproline II helixtrans-70.1143.1168.1-89.50000109.3E346 C355 D356E346-S353 PolarHBondContact OE1-OG 3.18Å; S353-C355 VanDerWaalsContact CB-SG 3.59Å; S353-C355 PolarHBondContact O-N 2.75Å; S353-D356 PolarHBondContact N-OD2 3.05Å; S353-D356 WeakPolarHBondContact O-CB 3.32Å; S353-D356 PolarHBondContact O-N 2.92Å
354P53.8Low64.1Low104 Ų104101.5 Ų101.568%0.67555%0.554SS**G310 helixtrans-54.7-20.6177.9-26.733.9000114.4
355C47.7Very low61.9Low99 Ų99103.7 Ų103.767%0.66956%0.561SS**G310 helixtrans-81.5-7176.156.10000115.3S353 N357S353-C355 VanDerWaalsContact CB-SG 3.59Å; S353-C355 PolarHBondContact O-N 2.75Å; C355-N357 PolarHBondContact O-N 3.48Å
356D48.7Very low59.4Low95 Ų95108.8 Ų108.851%0.50859%0.589SS.*G310 helixtrans-78-0.1178.4-80.7-32.5000114.2S353 R358 M359S353-D356 PolarHBondContact N-OD2 3.05Å; S353-D356 WeakPolarHBondContact O-CB 3.32Å; S353-D356 PolarHBondContact O-N 2.92Å; D356-R358 PolarHBondContact O-N 3.31Å; D356-M359 PolarHBondContact O-N 2.89Å
357N40.7Very low57.2Low149 Ų149113.9 Ų113.980%0.79761%0.609SS**G310 helixtrans-70.112.3174.8-79.9-26.8000114.5C355 M359C355-N357 PolarHBondContact O-N 3.48Å; N357-M359 VanDerWaalsContact C-N 3.33Å
358R42.6Very low55Low238 Ų238111.2 Ų111.290%0.89860%0.602SS**G310 helixtrans-9530.9165.1-71.2-170.5-178.9179.51.9113.1D356 A360D356-R358 PolarHBondContact O-N 3.31Å; R358-A360 PolarHBondContact O-N 3.25Å
359M40.8Very low52.6Low173 Ų173109.9 Ų109.985%0.85259%0.594SS**  trans-68.187.3153-67.1-158.979.400107.8D356 N357D356-M359 PolarHBondContact O-N 2.89Å; N357-M359 VanDerWaalsContact C-N 3.33Å
360A40.6Very low50.5Low58 Ų58109.9 Ų109.948%0.47960%0.596SS.*  trans-52.1141.5162.900000108.4R358R358-A360 PolarHBondContact O-N 3.25Å
361P38.1Very low48.6Very low84 Ų84113.3 Ų113.355%0.54561%0.608SS.*  trans-56.4159.4170.124.8-31.3000109.8S363P361-S363 PolarHBondContact O-N 2.68Å
362P43.6Very low47Very low144 Ų144117.8 Ų117.894%0.93564%0.636SS**THydrogen-bonded Turntrans-6724.8-165-17.330.5000117.1
363S46.3Very low46.2Very low103 Ų103114.3 Ų114.372%0.7263%0.626SS**THydrogen-bonded Turntrans-144.712.3-168.750.60000116.4P361P361-S363 PolarHBondContact O-N 2.68Å
364Q44.7Very low46Very low146 Ų146122.6 Ų122.668%0.68266%0.662SS**  trans-96.9105.5173-83.3-176.6-14.600112.5
365Q48.2Very low45.5Very low126 Ų126122.1 Ų122.159%0.58965%0.654SS**  trans-61.1129.6170.2-74.3169.7-23.800110.4Y367Q365-Y367 HydrophobicContact CB-CE2 3.8Å; Q365-Y367 WeakPolarHBondContact O-CD2 3.39Å; Q365-Y367 WeakPolarHBondContact O-CE2 3.36Å; Q365-Y367 PolarHBondContact OE1-OH 3.24Å
366L45.3Very low45.5Very low131 Ų131121.9 Ų121.969%0.68665%0.649SS**  trans-90.2130.4-179.6-66.6170.7000110.4L379L366-L379 PolarHBondContact O-N 2.96Å
367Y51.4Low45.7Very low120 Ų120123 Ų12347%0.47165%0.65SS.*EExtended strand (participates in β ladder)trans-120.5147.8176.6-59.5-86.6000109.7Q365 V376 F377 Q378Q365-Y367 HydrophobicContact CB-CE2 3.8Å; Q365-Y367 WeakPolarHBondContact O-CD2 3.39Å; Q365-Y367 WeakPolarHBondContact O-CE2 3.36Å; Q365-Y367 PolarHBondContact OE1-OH 3.24Å; Y367-V376 HydrophobicContact CD1-CG1 3.74Å; Y367-V376 HydrophobicContact CG-CG1 3.86Å; Y367-F377 WeakPolarHBondContact CA-O 3.44Å; Y367-Q378 HydrophobicContact CD1-CB 4.01Å; Y367-Q378 HydrophobicContact CD1-CG 4.34Å; Y367-Q378 HydrophobicContact CE1-CB 3.91Å; Y367-Q378 HydrophobicContact CE1-CG 3.97Å
368F47.2Very low46.1Very low121 Ų121120.8 Ų120.853%0.53164%0.635SS.*EExtended strand (participates in β ladder)trans-122.4139.4172-173-97.9000110.8T370 F377 L379F368-T370 HydrophobicContact CD1-CG2 4.32Å; F368-T370 HydrophobicContact CE1-CG2 3.97Å; F368-F377 PolarHBondContact N-O 3.31Å; F368-F377 PolarHBondContact O-N 3.26Å; F368-L379 HydrophobicContact CB-CD1 4.21Å
369T43.6Very low46.3Very low79 Ų79114.6 Ų114.649%0.48562%0.619SS.*EExtended strand (participates in β ladder)trans-113.5138.2172.346.70000109.3V376T369-V376 HydrophobicContact CG2-CB 4.41Å; T369-V376 HydrophobicContact CG2-CG2 3.96Å
370T48.5Very low46.7Very low55 Ų55112.5 Ų112.534%0.33761%0.612SS.*EExtended strand (participates in β ladder)trans-87.9150.5177.551.90000110.6F368 T372 N373F368-T370 HydrophobicContact CD1-CG2 4.32Å; F368-T370 HydrophobicContact CE1-CG2 3.97Å; T370-T372 PolarHBondContact O-N 3.22Å; T370-N373 PolarHBondContact O-N 3.42Å
371P47.5Very low46.8Very low132 Ų132115.2 Ų115.286%0.85762%0.624SS**THydrogen-bonded Turntrans-63.7-13.3-176.6-20.832.1000114.8
372T47.6Very low47.1Very low127 Ų127119.5 Ų119.578%0.77964%0.641SS**THydrogen-bonded Turntrans-118.25.3-172.336.40000114.2T370T370-T372 PolarHBondContact O-N 3.22Å
373N46.1Very low46.8Very low101 Ų101121.4 Ų121.454%0.5464%0.638SS.*EExtended strand (participates in β ladder)trans-157.7130.7171.1-116.4-40.6000111.7T370 N375T370-N373 PolarHBondContact O-N 3.42Å; N373-N375 PolarHBondContact O-N 3.03Å
374H52.8Low46.4Very low189 Ų189122.4 Ų122.488%0.87565%0.645SS**EExtended strand (participates in β ladder)trans-70.421.2177.9-69.6-64.9000114.4
375N42.7Very low45.9Very low94 Ų94125.4 Ų125.450%0.50367%0.674SS.*EExtended strand (participates in β ladder)trans-85.5130.7173.8-71.6-26.9000109.5N373 F377N373-N375 PolarHBondContact O-N 3.03Å; N375-F377 HydrophobicContact CB-CE2 3.75Å; N375-F377 HydrophobicContact CB-CZ 3.92Å; N375-F377 WeakPolarHBondContact O-CD2 3.43Å
376V48.1Very low45.8Very low94 Ų94125.4 Ų125.457%0.5768%0.678SS**EExtended strand (participates in β ladder)trans-92.4121.3-179.4-172.40000108.1Y367 T369Y367-V376 HydrophobicContact CD1-CG1 3.74Å; Y367-V376 HydrophobicContact CG-CG1 3.86Å; T369-V376 HydrophobicContact CG2-CB 4.41Å; T369-V376 HydrophobicContact CG2-CG2 3.96Å
377F53.7Low45.8Very low118 Ų118125.1 Ų125.152%0.51868%0.678SS.*EExtended strand (participates in β ladder)trans-109.1129.6178.4-63.3-85.4000110.1Y367 F368 N375Y367-F377 WeakPolarHBondContact CA-O 3.44Å; F368-F377 PolarHBondContact N-O 3.31Å; F368-F377 PolarHBondContact O-N 3.26Å; N375-F377 HydrophobicContact CB-CE2 3.75Å; N375-F377 HydrophobicContact CB-CZ 3.92Å; N375-F377 WeakPolarHBondContact O-CD2 3.43Å
378Q48.8Very low45.5Very low104 Ų104125.4 Ų125.449%0.48669%0.689SS.*EExtended strand (participates in β ladder)trans-78.9132.8176.5-172.5175.3-21.200109.7Y367Y367-Q378 HydrophobicContact CD1-CB 4.01Å; Y367-Q378 HydrophobicContact CD1-CG 4.34Å; Y367-Q378 HydrophobicContact CE1-CB 3.91Å; Y367-Q378 HydrophobicContact CE1-CG 3.97Å
379L45.8Very low45.4Very low107 Ų107125.6 Ų125.656%0.5670%0.698SS**  trans-92.2110.2174.3-69.9169.5000108.8L366 F368L366-L379 PolarHBondContact O-N 2.96Å; F368-L379 HydrophobicContact CB-CD1 4.21Å
380D49.5Very low45.6Very low130 Ų130128.6 Ų128.670%0.69571%0.712SS**  trans-75.1133.4169.2-79.3-28.6000109.9L382D380-L382 PolarHBondContact O-N 3.04Å
381P43.6Very low45.4Very low115 Ų115133.5 Ų133.575%0.74774%0.737SS**  trans-61.3123.5174.8-17.129.2000109.5Q383P381-Q383 PolarHBondContact O-N 2.89Å
382L43.3Very low45.2Very low173 Ų173133.6 Ų133.691%0.90673%0.728SS**  trans-54.2109.3171.7-74.2163.4000109.2D380 S384D380-L382 PolarHBondContact O-N 3.04Å; L382-S384 PolarHBondContact O-N 2.95Å
383Q39Very low45Very low184 Ų184134.1 Ų134.186%0.8672%0.724SS**  trans-61.9120.4164.3-83.6-176.7-21.300107.6P381 T385P381-Q383 PolarHBondContact O-N 2.89Å; Q383-T385 PolarHBondContact O-N 2.89Å
384S36.1Very low44.9Very low125 Ų125136.8 Ų136.887%0.87474%0.74SS**  trans-61.6122.9172.5-61.80000109.2L382L382-S384 PolarHBondContact O-N 2.95Å
385T35.9Very low44.2Very low209 Ų209132.1 Ų132.1100%1.28273%0.727SS**  trans-1130158.3550000108.8Q383Q383-T385 PolarHBondContact O-N 2.89Å

Retrieved 385 of 385 residues in 287.3 ms (Link to these results)

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