A0A087XZY8_POEFO Loading...

Dual specificity protein phosphatase

AlphaFold DB , UniProt , Accession A0A087XZY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 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
1M33.7Very low33.2Very low235 Ų235151.1 Ų151.1100%1.15882%0.818SS**  0108.10-78.9166.5146.500106.1
2K31.3Very low33.4Very low197 Ų197150.4 Ų150.486%0.85781%0.811SS**  58.3121.791.6-88.9-175.2177.2-178.50109.9
3T30.2Very low33.6Very low115 Ų115147.8 Ų147.871%0.70680%0.803SS**  cis-172.3137.531.522.20000106.2
4D34.7Very low33.9Very low142 Ų142144.7 Ų144.776%0.75979%0.791SS**  62.2136.985.5-86.9-32.2000119.2
5H35.3Very low34.5Very low165 Ų165142.5 Ų142.576%0.76478%0.784SS**  trans105.5106.4160.4-63.4-48.1000117.9
6L34.3Very low35.1Very low131 Ų131140.1 Ų140.169%0.68677%0.767SS**  95.7112.860.9-170.981.5000111.3
7C29.7Very low35.9Very low123 Ų123141.3 Ų141.383%0.83177%0.768SS**  trans-18089.4142.7-970000107.4
8R38.7Very low37.2Very low236 Ų236136.4 Ų136.489%0.89174%0.74SS**  40.186.196.3-78.2-171.8176.6-157.60.2113.3
9G29.6Very low39.3Very low75 Ų75132.2 Ų132.277%0.77372%0.721SS**  trans-109.2103.7165.100000110.3
10S32.8Very low41.8Very low108 Ų108127.4 Ų127.476%0.75570%0.698SS**  trans17103.9160.5-60.80000118.9I12S10-I12 PolarHBondContact O-N 2.88Å
11V34.4Very low44.2Very low135 Ų135123.8 Ų123.882%0.81868%0.675SS**  trans-64.4101.4149.9178.40000106.5V13V11-V13 HydrophobicContact CG1-CG2 4.23Å; V11-V13 PolarHBondContact O-N 3.12Å
12I36.1Very low47.1Very low143 Ų143114.2 Ų114.273%0.73363%0.632SS**  trans-65.491.2168.8-61.5170.3000106.1S10 T14S10-I12 PolarHBondContact O-N 2.88Å; I12-T14 PolarHBondContact O-N 2.77Å
13V36.2Very low50.1Low116 Ų116104.8 Ų104.870%0.70359%0.591SS**  trans-67.593.8163.1-178.30000105V11 V15V11-V13 HydrophobicContact CG1-CG2 4.23Å; V11-V13 PolarHBondContact O-N 3.12Å; V13-V15 PolarHBondContact O-N 2.87Å
14T37.1Very low53.1Low105 Ų105102.9 Ų102.964%0.64457%0.574SS**  trans-58.5112.9166.4-61.80000105.8I12 M16I12-T14 PolarHBondContact O-N 2.77Å; T14-M16 PolarHBondContact O-N 3.39Å
15V42.9Very low56Low112 Ų11298.7 Ų98.768%0.67955%0.547SS*.  trans-61.488.8166.7-179.50000105.6V13 M17V13-V15 PolarHBondContact O-N 2.87Å; V15-M17 PolarHBondContact O-N 3.27Å; V15-M17 VanDerWaalsContact O-N 3.1Å
16M44.8Very low58.8Low104 Ų10490.8 Ų90.851%0.51251%0.511SS..  trans-61.4112.9166.7-77.2-178.790.300105.3T14 M18T14-M16 PolarHBondContact O-N 3.39Å; M16-M18 WeakPolarHBondContact O-CG 3.19Å; M16-M18 PolarHBondContact O-N 3.01Å
17M49.3Very low61.7Low160 Ų16085 Ų8579%0.78848%0.48SS*.  trans-46.4110.5167.7-76.5-176.9169.500107.9V15 S19V15-M17 PolarHBondContact O-N 3.27Å; V15-M17 VanDerWaalsContact O-N 3.1Å; M17-S19 PolarHBondContact O-N 3.49Å
18M59.1Low64.7Low54 Ų5484.1 Ų84.127%0.26647%0.468SS..  trans-77.196.7-176.3-66.9-178.976.100107.3M16 S20 L113 L122M16-M18 WeakPolarHBondContact O-CG 3.19Å; M16-M18 PolarHBondContact O-N 3.01Å; M18-S20 PolarHBondContact O-N 3.03Å; M18-L113 HydrophobicContact CE-CB 4.13Å; M18-L113 HydrophobicContact CE-CD2 3.55Å; M18-L113 HydrophobicContact CE-CG 3.96Å; M18-L113 HydrophobicContact SD-CB 4.02Å; M18-L113 HydrophobicContact SD-CD2 4.09Å; M18-L113 HydrophobicContact SD-CG 4.46Å; M18-L122 HydrophobicContact CE-CD2 3.71Å
19S77.6Confident67.3Low55 Ų5575 Ų7539%0.38544%0.435SS..  trans-63.1122.2-177.8-45.80000111.8M17 R126 F133M17-S19 PolarHBondContact O-N 3.49Å; S19-R126 PolarHBondContact O-NH2 3.22Å; S19-F133 WeakPolarHBondContact O-CD1 3.13Å
20S87.9Confident70.2Confident36 Ų3673.3 Ų73.325%0.25241%0.408SS..EExtended strand (participates in β ladder)trans-103.5167.4174.556.60000111M18 Y134 E136M18-S20 PolarHBondContact O-N 3.03Å; S20-Y134 CarbonylContact C-O 3.55Å; S20-Y134 WeakPolarHBondContact CA-O 3.29Å; S20-Y134 VanDerWaalsContact CB-CZ 3.41Å; S20-E136 VanDerWaalsContact CB-OE1 3.22Å; S20-E136 WeakPolarHBondContact CB-OE1 3.45Å; S20-E136 PolarHBondContact OG-OE1 2.71Å
21K92.8Very high72.9Confident52 Ų5274.2 Ų74.223%0.22640%0.4CS..EExtended strand (participates in β ladder)trans-131.4139.7169.8-68.6-63.1-163.8163.30109.2W25 L99 F133 Y134 L135 E136K21-W25 HydrophobicContact CB-CD2 4.08Å; K21-W25 HydrophobicContact CB-CE3 3.54Å; K21-W25 HydrophobicContact CB-CZ3 4.09Å; K21-W25 HydrophobicContact CD-CD2 3.56Å; K21-W25 HydrophobicContact CD-CE3 3.78Å; K21-W25 HydrophobicContact CD-CG 3.96Å; K21-W25 HydrophobicContact CD-CH2 4.48Å; K21-W25 HydrophobicContact CD-CZ2 4.3Å; K21-W25 HydrophobicContact CD-CZ3 4.24Å; K21-W25 HydrophobicContact CG-CD2 3.97Å; K21-W25 HydrophobicContact CG-CE3 3.62Å; K21-W25 HydrophobicContact CG-CH2 4.36Å; K21-W25 HydrophobicContact CG-CZ3 3.83Å; K21-L99 HydrophobicContact CB-CD1 3.84Å; K21-L99 HydrophobicContact CG-CD1 4.01Å; K21-F133 HydrophobicContact CD-CD1 4.46Å; K21-F133 HydrophobicContact CG-CB 3.86Å; K21-F133 HydrophobicContact CG-CD1 4.17Å; K21-F133 HydrophobicContact CG-CG 4.03Å; K21-Y134 PolarHBondContact N-O 3.5Å; K21-L135 WeakPolarHBondContact O-CA 3.27Å; K21-E136 WeakPolarHBondContact O-CG 3.45Å; K21-E136 PolarHBondContact O-N 3.23Å
22S93.6Very high75.4Confident34 Ų3470.9 Ų70.924%0.23838%0.383CS..  trans-78.7164.2178.683.30000111.1E24 W25 L26S22-E24 VanDerWaalsContact C-N 3.28Å; S22-E24 WeakPolarHBondContact CB-OE2 3.3Å; S22-E24 PolarHBondContact OG-OE2 3.2Å; S22-W25 PolarHBondContact O-N 2.8Å; S22-W25 PolarHBondContact OG-N 2.87Å; S22-L26 PolarHBondContact O-N 3.33Å
23V94.2Very high76.9Confident0 Ų067.6 Ų67.60%038%0.384CS..Hα-helixtrans-67.6-32.5177.8-66.30000111.9L26 Q27 L135 E136 K141 F142 E145 Y146V23-L26 PolarHBondContact O-N 3.18Å; V23-Q27 PolarHBondContact O-N 2.87Å; V23-L135 HydrophobicContact CG1-CD1 3.95Å; V23-L135 HydrophobicContact CG1-CG 4.25Å; V23-E136 WeakPolarHBondContact CG1-O 3.42Å; V23-K141 HydrophobicContact CG1-CB 4.18Å; V23-K141 HydrophobicContact CG1-CD 3.94Å; V23-K141 HydrophobicContact CG1-CG 4.04Å; V23-K141 HydrophobicContact CG2-CD 3.92Å; V23-K141 HydrophobicContact CG2-CG 4.21Å; V23-F142 HydrophobicContact CB-CD2 3.92Å; V23-F142 HydrophobicContact CG1-CB 3.97Å; V23-F142 HydrophobicContact CG1-CD2 4.1Å; V23-E145 VanDerWaalsContact CG2-OE2 3.23Å; V23-E145 WeakPolarHBondContact CG2-OE2 3.33Å; V23-Y146 HydrophobicContact CB-CD2 4.43Å; V23-Y146 HydrophobicContact CB-CE2 4.05Å; V23-Y146 HydrophobicContact CG2-CE2 4.03Å
24E94.8Very high78Confident74 Ų7466.3 Ų66.335%0.34639%0.385SS..Hα-helixtrans-66.5-39.7175.9-48.777.5-172.300110.4S22 L26 Q27 D28 K141S22-E24 VanDerWaalsContact C-N 3.28Å; S22-E24 WeakPolarHBondContact CB-OE2 3.3Å; S22-E24 PolarHBondContact OG-OE2 3.2Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3.41Å; E24-Q27 WeakPolarHBondContact O-CB 3.46Å; E24-Q27 PolarHBondContact O-N 2.8Å; E24-D28 PolarHBondContact O-N 3.3Å; E24-D28 VanDerWaalsContact O-N 3.1Å; E24-K141 IonicContact OE1-NZ 3.38Å; E24-K141 PolarHBondContact OE1-NZ 3.39Å
25W94.7Very high79.3Confident54 Ų5462.4 Ų62.421%0.20537%0.366CS..Hα-helixtrans-63.1-40.1173.3177.282.2000112.2K21 S22 Q27 D28 E29 L37 V97 L99K21-W25 HydrophobicContact CB-CD2 4.08Å; K21-W25 HydrophobicContact CB-CE3 3.54Å; K21-W25 HydrophobicContact CB-CZ3 4.09Å; K21-W25 HydrophobicContact CD-CD2 3.56Å; K21-W25 HydrophobicContact CD-CE3 3.78Å; K21-W25 HydrophobicContact CD-CG 3.96Å; K21-W25 HydrophobicContact CD-CH2 4.48Å; K21-W25 HydrophobicContact CD-CZ2 4.3Å; K21-W25 HydrophobicContact CD-CZ3 4.24Å; K21-W25 HydrophobicContact CG-CD2 3.97Å; K21-W25 HydrophobicContact CG-CE3 3.62Å; K21-W25 HydrophobicContact CG-CH2 4.36Å; K21-W25 HydrophobicContact CG-CZ3 3.83Å; S22-W25 PolarHBondContact O-N 2.8Å; S22-W25 PolarHBondContact OG-N 2.87Å; W25-Q27 VanDerWaalsContact C-N 3.34Å; W25-D28 PolarHBondContact O-N 3.36Å; W25-E29 HydrophobicContact CH2-CB 4.36Å; W25-E29 HydrophobicContact CH2-CG 4.11Å; W25-E29 HydrophobicContact CZ2-CB 4.46Å; W25-E29 HydrophobicContact CZ2-CG 4.25Å; W25-E29 WeakPolarHBondContact CZ2-OE2 3.45Å; W25-E29 PolarHBondContact O-N 3.11Å; W25-E29 VanDerWaalsContact O-N 3.13Å; W25-L37 HydrophobicContact CH2-CD1 4.25Å; W25-L37 HydrophobicContact CZ3-CD1 4.43Å; W25-V97 HydrophobicContact CH2-CG1 4.02Å; W25-L99 HydrophobicContact CZ3-CD2 4.17Å
26L94.8Very high81.4Confident0 Ų059.3 Ų59.30%035%0.353CS..Hα-helixtrans-65.7-40.6178.3175.156.4000111S22 V23 E24 E29 L30 L37 L39 I53 L99 L135 F142S22-L26 PolarHBondContact O-N 3.33Å; V23-L26 PolarHBondContact O-N 3.18Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 3.41Å; L26-E29 PolarHBondContact O-N 3.45Å; L26-L30 HydrophobicContact CD1-CD1 4.02Å; L26-L30 HydrophobicContact CD1-CG 3.99Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CG 4.42Å; L26-L30 WeakPolarHBondContact O-CG 3.22Å; L26-L30 PolarHBondContact O-N 2.84Å; L26-L37 HydrophobicContact CD1-CD2 3.57Å; L26-L39 HydrophobicContact CD1-CD2 3.91Å; L26-L39 HydrophobicContact CD2-CD2 4.23Å; L26-I53 HydrophobicContact CD2-CD1 3.75Å; L26-L99 HydrophobicContact CB-CD2 4.33Å; L26-L99 HydrophobicContact CD1-CD2 3.78Å; L26-L99 HydrophobicContact CD2-CD2 3.83Å; L26-L99 HydrophobicContact CG-CD2 4.2Å; L26-L135 HydrophobicContact CB-CD1 4.05Å; L26-L135 HydrophobicContact CD2-CD1 3.87Å; L26-L135 HydrophobicContact CD2-CD2 3.74Å; L26-L135 HydrophobicContact CD2-CG 4.44Å; L26-F142 HydrophobicContact CB-CD2 4.34Å; L26-F142 HydrophobicContact CB-CE2 3.9Å; L26-F142 HydrophobicContact CD2-CD2 3.68Å; L26-F142 HydrophobicContact CD2-CE2 3.54Å; L26-F142 HydrophobicContact CD2-CG 4.29Å; L26-F142 HydrophobicContact CD2-CZ 4.02Å; L26-F142 HydrophobicContact CG-CD2 4.15Å; L26-F142 HydrophobicContact CG-CE2 3.56Å; L26-F142 HydrophobicContact CG-CZ 4.05Å
27Q93.9Very high83.7Confident8 Ų855.2 Ų55.24%0.03733%0.332CS..Hα-helixtrans-56.3-52.5174.3-179.270.3-1.300111.7V23 E24 W25 E29 L30 E31 Y146 E148 H149V23-Q27 PolarHBondContact O-N 2.87Å; E24-Q27 WeakPolarHBondContact O-CB 3.46Å; E24-Q27 PolarHBondContact O-N 2.8Å; W25-Q27 VanDerWaalsContact C-N 3.34Å; Q27-E29 PolarHBondContact O-N 3.29Å; Q27-L30 PolarHBondContact O-N 3.03Å; Q27-L30 VanDerWaalsContact O-N 3.13Å; Q27-E31 HydrophobicContact CG-CG 4.38Å; Q27-E31 PolarHBondContact NE2-OE1 3.46Å; Q27-E31 PolarHBondContact O-N 3.37Å; Q27-Y146 HydrophobicContact CB-CD1 4.01Å; Q27-Y146 HydrophobicContact CB-CD2 4.28Å; Q27-Y146 HydrophobicContact CB-CE1 3.84Å; Q27-Y146 HydrophobicContact CB-CE2 4.14Å; Q27-Y146 HydrophobicContact CB-CG 4.22Å; Q27-Y146 HydrophobicContact CG-CD1 3.64Å; Q27-Y146 HydrophobicContact CG-CE1 3.57Å; Q27-Y146 HydrophobicContact CG-CG 4.26Å; Q27-E148 PolarHBondContact NE2-OE1 3.11Å; Q27-H149 VanDerWaalsContact CD-CD2 3.45Å; Q27-H149 VanDerWaalsContact CD-NE2 3.29Å; Q27-H149 PolarHBondContact NE2-CD2 2.69Å; Q27-H149 VanDerWaalsContact NE2-CD2 3.32Å; Q27-H149 PolarHBondContact NE2-NE2 2.9Å; Q27-H149 PolarHBondContact OE1-CD2 3.5Å; Q27-H149 PolarHBondContact OE1-NE2 3.3Å; Q27-H149 VanDerWaalsContact OE1-NE2 3.09Å
28D92.8Very high85.9Confident106 Ų10647.6 Ų47.657%0.56730%0.295SS*.Hα-helixtrans-57-40.1-179.8-70.8-19.3000111.3E24 W25 S32E24-D28 PolarHBondContact O-N 3.3Å; E24-D28 VanDerWaalsContact O-N 3.1Å; W25-D28 PolarHBondContact O-N 3.36Å; D28-S32 VanDerWaalsContact O-CB 3.24Å; D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.3Å; D28-S32 PolarHBondContact O-OG 2.99Å
29E93Very high87.6Confident45 Ų4545.2 Ų45.221%0.2128%0.283CS..Hα-helixtrans-67.9-40.7179.6-160.575.5-165.100111.7W25 L26 Q27 S32 G35 L37W25-E29 HydrophobicContact CH2-CB 4.36Å; W25-E29 HydrophobicContact CH2-CG 4.11Å; W25-E29 HydrophobicContact CZ2-CB 4.46Å; W25-E29 HydrophobicContact CZ2-CG 4.25Å; W25-E29 WeakPolarHBondContact CZ2-OE2 3.45Å; W25-E29 PolarHBondContact O-N 3.11Å; W25-E29 VanDerWaalsContact O-N 3.13Å; L26-E29 PolarHBondContact O-N 3.45Å; Q27-E29 PolarHBondContact O-N 3.29Å; E29-S32 PolarHBondContact O-OG 2.84Å; E29-G35 WeakPolarHBondContact OE1-CA 3.39Å; E29-L37 HydrophobicContact CB-CD2 4.42Å; E29-L37 HydrophobicContact CG-CB 4.28Å; E29-L37 HydrophobicContact CG-CD2 4.07Å
30L91.3Very high88.5Confident39 Ų3942.6 Ų42.620%0.20427%0.265CS..Hα-helixtrans-67-44.7176.9-70.3170000111.9L26 Q27 G33 L37 L39 I53 F142 H149L26-L30 HydrophobicContact CD1-CD1 4.02Å; L26-L30 HydrophobicContact CD1-CG 3.99Å; L26-L30 HydrophobicContact CG-CD1 3.98Å; L26-L30 HydrophobicContact CG-CG 4.42Å; L26-L30 WeakPolarHBondContact O-CG 3.22Å; L26-L30 PolarHBondContact O-N 2.84Å; Q27-L30 PolarHBondContact O-N 3.03Å; Q27-L30 VanDerWaalsContact O-N 3.13Å; L30-G33 PolarHBondContact O-N 2.96Å; L30-L37 HydrophobicContact CD2-CD2 4.26Å; L30-L39 HydrophobicContact CD2-CD1 4.3Å; L30-I53 HydrophobicContact CD1-CG2 4.17Å; L30-F142 HydrophobicContact CD1-CE1 4.4Å; L30-F142 HydrophobicContact CD1-CE2 4.42Å; L30-F142 HydrophobicContact CD1-CZ 3.64Å; L30-H149 HydrophobicContact CD1-CB 3.94Å
31E90.1Very high88.8Confident127 Ų12740.9 Ų40.959%0.59325%0.253SS*.Hα-helixtrans-68.1-35.3178.4-71.9-173.9178.700112.7Q27 G33Q27-E31 HydrophobicContact CG-CG 4.38Å; Q27-E31 PolarHBondContact NE2-OE1 3.46Å; Q27-E31 PolarHBondContact O-N 3.37Å; E31-G33 PolarHBondContact O-N 3.25Å
32S86.1Confident88.7Confident65 Ų6539.8 Ų39.846%0.45525%0.252SS..Hα-helixtrans-62-27.2-179.375.60000112.7D28 E29 A34D28-S32 VanDerWaalsContact O-CB 3.24Å; D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.3Å; D28-S32 PolarHBondContact O-OG 2.99Å; E29-S32 PolarHBondContact O-OG 2.84Å; S32-A34 PolarHBondContact O-N 3.1Å; S32-A34 PolarHBondContact OG-N 3.06Å
33G68.9Low88.5Confident73 Ų7338.6 Ų38.675%0.75324%0.242SC*.SBendtrans56.42.1-174.700000114.9L30 E31L30-G33 PolarHBondContact O-N 2.96Å; E31-G33 PolarHBondContact O-N 3.25Å
34A58.9Low88.1Confident89 Ų8942.2 Ų42.274%0.73627%0.265SS*.  trans-102.5-12-173.700000111.8S32S32-A34 PolarHBondContact O-N 3.1Å; S32-A34 PolarHBondContact OG-N 3.06Å
35G63.1Low87.8Confident23 Ų2343 Ų4324%0.23727%0.269CS..  trans-73121.5-179.300000113.4E29 L37E29-G35 WeakPolarHBondContact OE1-CA 3.39Å; G35-L37 PolarHBondContact O-N 3.43Å
36A87.3Confident87.3Confident48 Ų4846.1 Ų46.140%0.39729%0.286SS..  trans-72.579.7163.100000108.2D96 V97A36-D96 HydrophobicContact CB-CB 4.17Å; A36-D96 CarbonylContact O-C 3.57Å; A36-D96 WeakPolarHBondContact O-CA 3.42Å; A36-D96 WeakPolarHBondContact O-CB 3.42Å; A36-V97 PolarHBondContact O-N 3.47Å
37L93.4Very high87Confident17 Ų1749.2 Ų49.29%0.08930%0.302CS..EExtended strand (participates in β ladder)trans-113.8135-174.6179.867.4000111.8W25 L26 E29 L30 G35 L39 R92 V97 L99W25-L37 HydrophobicContact CH2-CD1 4.25Å; W25-L37 HydrophobicContact CZ3-CD1 4.43Å; L26-L37 HydrophobicContact CD1-CD2 3.57Å; E29-L37 HydrophobicContact CB-CD2 4.42Å; E29-L37 HydrophobicContact CG-CB 4.28Å; E29-L37 HydrophobicContact CG-CD2 4.07Å; L30-L37 HydrophobicContact CD2-CD2 4.26Å; G35-L37 PolarHBondContact O-N 3.43Å; L37-L39 HydrophobicContact CD2-CD1 4.4Å; L37-L39 HydrophobicContact CD2-CD2 4.27Å; L37-L39 HydrophobicContact CD2-CG 4.13Å; L37-L39 HydrophobicContact CG-CG 4.27Å; L37-R92 PolarHBondContact O-NH2 3.29Å; L37-V97 HydrophobicContact CD1-CB 4.32Å; L37-V97 HydrophobicContact CD1-CG1 4.3Å; L37-L99 HydrophobicContact CD1-CB 4.03Å
38L94.9Very high86.9Confident1 Ų150.2 Ų50.21%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-123.5111.3173.8-170.969.6000110.2L40 I57 K88 F89 R92 C93 D96 V97 V98 L99L38-L40 HydrophobicContact CG-CD2 4.42Å; L38-I57 HydrophobicContact CD1-CD1 3.79Å; L38-K88 HydrophobicContact CD1-CG 4.31Å; L38-F89 HydrophobicContact CD2-CD2 3.71Å; L38-F89 HydrophobicContact CD2-CE2 4.32Å; L38-F89 HydrophobicContact CD2-CG 4.49Å; L38-R92 HydrophobicContact CD1-CB 4.47Å; L38-R92 HydrophobicContact CD2-CB 4.49Å; L38-C93 HydrophobicContact CD2-CB 4.26Å; L38-D96 HydrophobicContact CB-CB 4.34Å; L38-V97 PolarHBondContact N-O 3.19Å; L38-V98 HydrophobicContact CB-CG2 4.44Å; L38-V98 HydrophobicContact CD2-CG2 4.26Å; L38-V98 WeakPolarHBondContact O-CA 3.29Å; L38-L99 PolarHBondContact O-N 3.44Å
39L95.6Very high86.7Confident3 Ų349.1 Ų49.12%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-90.4130.4-179.6-71.9167.3000111.2L26 L30 L37 I53 A56 I57 L99L26-L39 HydrophobicContact CD1-CD2 3.91Å; L26-L39 HydrophobicContact CD2-CD2 4.23Å; L30-L39 HydrophobicContact CD2-CD1 4.3Å; L37-L39 HydrophobicContact CD2-CD1 4.4Å; L37-L39 HydrophobicContact CD2-CD2 4.27Å; L37-L39 HydrophobicContact CD2-CG 4.13Å; L37-L39 HydrophobicContact CG-CG 4.27Å; L39-I53 HydrophobicContact CD1-CB 4.25Å; L39-I53 HydrophobicContact CD1-CG2 3.66Å; L39-A56 HydrophobicContact CB-CB 3.84Å; L39-I57 PolarHBondContact O-N 3.16Å; L39-L99 HydrophobicContact CD2-CB 4.1Å; L39-L99 HydrophobicContact CD2-CD2 3.85Å; L39-L99 HydrophobicContact CD2-CG 4.38Å
40L95.6Very high86.5Confident0 Ų050.1 Ų50.10%031%0.309CS..EExtended strand (participates in β ladder)trans-120115.1176.1-56.4-176.2000110.1L38 I57 L59 F89 V98 L99 L100 Y101 L125L38-L40 HydrophobicContact CG-CD2 4.42Å; L40-I57 CarbonylContact C-O 3.49Å; L40-I57 WeakPolarHBondContact CA-O 3.38Å; L40-I57 HydrophobicContact CD2-CB 3.96Å; L40-I57 HydrophobicContact CD2-CD1 4.36Å; L40-I57 HydrophobicContact CD2-CG2 4.41Å; L40-L59 HydrophobicContact CB-CD1 4.13Å; L40-L59 HydrophobicContact CB-CG 4.31Å; L40-L59 HydrophobicContact CD1-CD1 4.26Å; L40-L59 HydrophobicContact CD2-CD2 4.36Å; L40-F89 HydrophobicContact CD1-CE2 4.17Å; L40-F89 HydrophobicContact CD2-CD2 4.17Å; L40-V98 HydrophobicContact CD1-CG1 3.46Å; L40-V98 VanDerWaalsContact CD1-CG1 3.46Å; L40-V98 HydrophobicContact CG-CG1 3.9Å; L40-L99 PolarHBondContact N-O 3.01Å; L40-L100 HydrophobicContact CB-CG 4.22Å; L40-L100 HydrophobicContact CD1-CG 4.21Å; L40-L100 WeakPolarHBondContact O-CA 3.49Å; L40-Y101 PolarHBondContact O-N 3.43Å; L40-Y101 VanDerWaalsContact O-N 3.07Å; L40-L125 HydrophobicContact CD1-CD1 4Å
41D94.3Very high86.5Confident0 Ų048.6 Ų48.60%030%0.302CS..EExtended strand (participates in β ladder)trans-87112.2175-165.3-36.7000109.5R43 Y48 A56 I57 N58 L59 Y101D41-R43 VanDerWaalsContact C-N 3.34Å; D41-R43 WeakPolarHBondContact OD1-CA 3.26Å; D41-R43 WeakPolarHBondContact OD1-CB 3.24Å; D41-R43 WeakPolarHBondContact OD1-CG 3.33Å; D41-R43 PolarHBondContact OD1-N 3.23Å; D41-R43 IonicContact OD1-NE 3.68Å; D41-R43 PolarHBondContact OD1-NE 2.91Å; D41-R43 VanDerWaalsContact OD1-NE 3.11Å; D41-R43 IonicContact OD2-CZ 2.71Å; D41-R43 IonicContact OD2-NE 2.65Å; D41-R43 PolarHBondContact OD2-NE 2.73Å; D41-R43 VanDerWaalsContact OD2-NE 3.11Å; D41-R43 IonicContact OD2-NH2 2.85Å; D41-R43 PolarHBondContact OD2-NH2 2.91Å; D41-Y48 HydrophobicContact CB-CD2 3.74Å; D41-Y48 HydrophobicContact CB-CE2 4.28Å; D41-Y48 WeakPolarHBondContact OD2-CD2 3.38Å; D41-A56 HydrophobicContact CB-CB 4.44Å; D41-I57 PolarHBondContact N-O 3.46Å; D41-N58 PolarHBondContact O-ND2 3.27Å; D41-L59 PolarHBondContact O-N 2.77Å; D41-Y101 HydrophobicContact CB-CE1 4.13Å; D41-Y101 HydrophobicContact CB-CE2 3.91Å; D41-Y101 VanDerWaalsContact CB-OH 3.29Å; D41-Y101 WeakPolarHBondContact CB-OH 3.47Å; D41-Y101 VanDerWaalsContact CG-CZ 3.43Å; D41-Y101 VanDerWaalsContact CG-OH 3.24Å; D41-Y101 WeakPolarHBondContact OD2-CE2 3.5Å; D41-Y101 VanDerWaalsContact OD2-CZ 3.22Å; D41-Y101 PolarHBondContact OD2-OH 2.82Å
42C91.2Very high86.7Confident29 Ų2943.1 Ų43.120%0.19628%0.276CS..  trans-90.44.7-180-63.30000113.4Y101 M118C42-Y101 WeakPolarHBondContact CB-O 3.49Å; C42-Y101 PolarHBondContact N-O 2.87Å; C42-M118 HydrophobicContact CB-CE 3.59Å; C42-M118 HydrophobicContact CB-SD 4.46Å
43R89.4Confident87.1Confident9 Ų940 Ų403%0.03425%0.254CS..SBendtrans-78.2160.7-179.1-59-179.7-65.7158.8-0.1111.4D41 L47 S51 N58 E103 F139D41-R43 VanDerWaalsContact C-N 3.34Å; D41-R43 WeakPolarHBondContact OD1-CA 3.26Å; D41-R43 WeakPolarHBondContact OD1-CB 3.24Å; D41-R43 WeakPolarHBondContact OD1-CG 3.33Å; D41-R43 PolarHBondContact OD1-N 3.23Å; D41-R43 IonicContact OD1-NE 3.68Å; D41-R43 PolarHBondContact OD1-NE 2.91Å; D41-R43 VanDerWaalsContact OD1-NE 3.11Å; D41-R43 IonicContact OD2-CZ 2.71Å; D41-R43 IonicContact OD2-NE 2.65Å; D41-R43 PolarHBondContact OD2-NE 2.73Å; D41-R43 VanDerWaalsContact OD2-NE 3.11Å; D41-R43 IonicContact OD2-NH2 2.85Å; D41-R43 PolarHBondContact OD2-NH2 2.91Å; R43-L47 HydrophobicContact CB-CB 4.24Å; R43-S51 PolarHBondContact NH2-O 3.34Å; R43-N58 PolarHBondContact O-ND2 3.42Å; R43-E103 WeakPolarHBondContact CD-OE2 3.42Å; R43-E103 HydrophobicContact CG-CB 4.44Å; R43-E103 IonicContact NH1-OE2 2.77Å; R43-E103 PolarHBondContact NH1-OE2 3.29Å; R43-F139 VanDerWaalsContact CZ-CG 3.41Å; R43-F139 VanDerWaalsContact NH1-CE1 3.33Å; R43-F139 VanDerWaalsContact NH1-CG 3.3Å
44P86.6Confident88.2Confident76 Ų7641.5 Ų41.549%0.49424%0.242SC..  trans-50.6142.6168.7-25.634.7000111.5E46 L47 Y48P44-E46 VanDerWaalsContact CB-OE2 3.25Å; P44-E46 WeakPolarHBondContact CB-OE2 3.41Å; P44-E46 PolarHBondContact O-N 3.33Å; P44-E46 VanDerWaalsContact O-N 3.1Å; P44-L47 HydrophobicContact CG-CD1 4.49Å; P44-L47 PolarHBondContact O-N 2.91Å; P44-Y48 PolarHBondContact O-N 3.06Å
45H86.9Confident89.6Confident92 Ų9239.9 Ų39.943%0.42623%0.225SC..Hα-helixtrans-53.9-34.7-176.9-17963.9000112.2L47 Y48 E49 N58H45-L47 VanDerWaalsContact C-N 3.29Å; H45-L47 PolarHBondContact O-N 3.3Å; H45-Y48 PolarHBondContact O-N 3.21Å; H45-E49 VanDerWaalsContact CE1-CG 3.48Å; H45-E49 WeakPolarHBondContact CE1-CG 3.46Å; H45-E49 IonicContact CE1-OE1 3.11Å; H45-E49 PolarHBondContact CE1-OE1 3.45Å; H45-E49 IonicContact ND1-OE1 3.31Å; H45-E49 WeakPolarHBondContact NE2-CG 3.32Å; H45-E49 IonicContact NE2-OE1 2.75Å; H45-E49 WeakPolarHBondContact O-CB 3.48Å; H45-E49 WeakPolarHBondContact O-CG 3.37Å; H45-E49 PolarHBondContact O-N 2.77Å; H45-N58 PolarHBondContact ND1-OD1 2.86Å
46E86.2Confident91.1Very high119 Ų11938.9 Ų38.956%0.55622%0.215SC*.Hα-helixtrans-63.4-34178.7-56.181.5-176.100113P44 S50P44-E46 VanDerWaalsContact CB-OE2 3.25Å; P44-E46 WeakPolarHBondContact CB-OE2 3.41Å; P44-E46 PolarHBondContact O-N 3.33Å; P44-E46 VanDerWaalsContact O-N 3.1Å; E46-S50 PolarHBondContact O-N 2.92Å
47L87.8Confident91.5Very high64 Ų6436.6 Ų36.634%0.33520%0.196SC..Hα-helixtrans-76.1-42.3177.3-62.7-176.3000110.6R43 P44 H45 E49 S50 S51 E103R43-L47 HydrophobicContact CB-CB 4.24Å; P44-L47 HydrophobicContact CG-CD1 4.49Å; P44-L47 PolarHBondContact O-N 2.91Å; H45-L47 VanDerWaalsContact C-N 3.29Å; H45-L47 PolarHBondContact O-N 3.3Å; L47-E49 PolarHBondContact O-N 3.18Å; L47-S50 PolarHBondContact O-N 2.85Å; L47-S50 PolarHBondContact O-OG 3.28Å; L47-S51 PolarHBondContact O-N 3.42Å; L47-E103 VanDerWaalsContact CD1-OE2 3.32Å; L47-E103 WeakPolarHBondContact CD1-OE2 3.48Å
48Y91.1Very high91.5Very high29 Ų2936.2 Ų36.211%0.11419%0.194CC..Hα-helixtrans-56.4-50173.8172.7-90.3000112D41 P44 H45 S50 S51 H52 A56 N58D41-Y48 HydrophobicContact CB-CD2 3.74Å; D41-Y48 HydrophobicContact CB-CE2 4.28Å; D41-Y48 WeakPolarHBondContact OD2-CD2 3.38Å; P44-Y48 PolarHBondContact O-N 3.06Å; H45-Y48 PolarHBondContact O-N 3.21Å; Y48-S50 PolarHBondContact O-N 2.83Å; Y48-S51 CarbonylContact O-C 3.45Å; Y48-S51 VanDerWaalsContact O-C 3.28Å; Y48-S51 PolarHBondContact O-N 2.86Å; Y48-H52 HydrophobicContact CD2-CB 3.43Å; Y48-H52 VanDerWaalsContact CD2-CB 3.43Å; Y48-H52 AromaticContact CD2-CG 3.59Å; Y48-H52 HydrophobicContact CE2-CB 3.69Å; Y48-H52 AromaticContact CE2-CD2 3.37Å; Y48-H52 WeakPolarHBondContact CE2-CD2 3.14Å; Y48-H52 AromaticContact CE2-CG 3.39Å; Y48-H52 AromaticContact CE2-ND1 3.92Å; Y48-H52 AromaticContact CE2-NE2 3.89Å; Y48-H52 HydrophobicContact CG-CB 4.15Å; Y48-H52 AromaticContact CZ-CD2 3.6Å; Y48-H52 AromaticContact CZ-CE1 3.81Å; Y48-H52 AromaticContact CZ-CG 3.8Å; Y48-H52 AromaticContact CZ-ND1 3.91Å; Y48-H52 AromaticContact CZ-NE2 3.58Å; Y48-H52 PolarHBondContact O-ND1 3.05Å; Y48-H52 PolarHBondContact OH-NE2 3.42Å; Y48-A56 HydrophobicContact CE2-CB 4.35Å; Y48-A56 PolarHBondContact OH-O 3.18Å; Y48-N58 HydrophobicContact CD1-CB 3.79Å; Y48-N58 HydrophobicContact CD2-CB 3.64Å; Y48-N58 HydrophobicContact CE1-CB 4.04Å; Y48-N58 HydrophobicContact CE2-CB 3.85Å; Y48-N58 HydrophobicContact CG-CB 3.59Å
49E89.6Confident91.3Very high84 Ų8436.4 Ų36.439%0.39320%0.195SC..Hα-helixtrans-61.9-32.4179.2-73.3-65.813200112.6H45 L47 N153H45-E49 VanDerWaalsContact CE1-CG 3.48Å; H45-E49 WeakPolarHBondContact CE1-CG 3.46Å; H45-E49 IonicContact CE1-OE1 3.11Å; H45-E49 PolarHBondContact CE1-OE1 3.45Å; H45-E49 IonicContact ND1-OE1 3.31Å; H45-E49 WeakPolarHBondContact NE2-CG 3.32Å; H45-E49 IonicContact NE2-OE1 2.75Å; H45-E49 WeakPolarHBondContact O-CB 3.48Å; H45-E49 WeakPolarHBondContact O-CG 3.37Å; H45-E49 PolarHBondContact O-N 2.77Å; L47-E49 PolarHBondContact O-N 3.18Å; E49-N153 WeakPolarHBondContact O-CB 3.49Å; E49-N153 PolarHBondContact O-ND2 3.36Å
50S87.7Confident90.7Very high66 Ų6638.1 Ų38.146%0.46221%0.209SC..Hα-helixtrans-71.3-44.1177.373.10000112.1E46 L47 Y48 N153E46-S50 PolarHBondContact O-N 2.92Å; L47-S50 PolarHBondContact O-N 2.85Å; L47-S50 PolarHBondContact O-OG 3.28Å; Y48-S50 PolarHBondContact O-N 2.83Å; S50-N153 PolarHBondContact O-N 2.62Å
51S91.4Very high89.7Confident7 Ų739.8 Ų39.85%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-167.4141.8173.8-1740000110.8R43 L47 Y48 F139 Q143 E151 T152R43-S51 PolarHBondContact NH2-O 3.34Å; L47-S51 PolarHBondContact O-N 3.42Å; Y48-S51 CarbonylContact O-C 3.45Å; Y48-S51 VanDerWaalsContact O-C 3.28Å; Y48-S51 PolarHBondContact O-N 2.86Å; S51-F139 WeakPolarHBondContact OG-CZ 3.48Å; S51-Q143 PolarHBondContact OG-NE2 3.38Å; S51-E151 CarbonylContact C-O 3.57Å; S51-E151 WeakPolarHBondContact CA-O 3.46Å; S51-E151 WeakPolarHBondContact CB-O 3.48Å; S51-E151 PolarHBondContact OG-O 3.34Å; S51-T152 WeakPolarHBondContact OG-CG2 3.34Å
52H94.6Very high88.4Confident11 Ų1142.8 Ų42.85%0.05124%0.237CC..EExtended strand (participates in β ladder)trans-151.3165.7177.957-81.4000110.5Y48 C150 E151Y48-H52 HydrophobicContact CD2-CB 3.43Å; Y48-H52 VanDerWaalsContact CD2-CB 3.43Å; Y48-H52 AromaticContact CD2-CG 3.59Å; Y48-H52 HydrophobicContact CE2-CB 3.69Å; Y48-H52 AromaticContact CE2-CD2 3.37Å; Y48-H52 WeakPolarHBondContact CE2-CD2 3.14Å; Y48-H52 AromaticContact CE2-CG 3.39Å; Y48-H52 AromaticContact CE2-ND1 3.92Å; Y48-H52 AromaticContact CE2-NE2 3.89Å; Y48-H52 HydrophobicContact CG-CB 4.15Å; Y48-H52 AromaticContact CZ-CD2 3.6Å; Y48-H52 AromaticContact CZ-CE1 3.81Å; Y48-H52 AromaticContact CZ-CG 3.8Å; Y48-H52 AromaticContact CZ-ND1 3.91Å; Y48-H52 AromaticContact CZ-NE2 3.58Å; Y48-H52 PolarHBondContact O-ND1 3.05Å; Y48-H52 PolarHBondContact OH-NE2 3.42Å; H52-C150 CarbonylContact O-C 3.58Å; H52-C150 VanDerWaalsContact O-CA 3.25Å; H52-C150 WeakPolarHBondContact O-CA 3.39Å; H52-E151 IonicContact CE1-OE2 3.38Å; H52-E151 PolarHBondContact N-O 2.94Å; H52-E151 IonicContact NE2-OE2 3.11Å; H52-E151 PolarHBondContact NE2-OE2 3.1Å; H52-E151 PolarHBondContact O-N 2.71Å
53I94.8Very high87.2Confident0 Ų042.2 Ų42.20%024%0.236CC..EExtended strand (participates in β ladder)trans-69.3137.3175.4-51-177.6000108L26 L30 L39 S55 A56 Y101 L135 F139 F142L26-I53 HydrophobicContact CD2-CD1 3.75Å; L30-I53 HydrophobicContact CD1-CG2 4.17Å; L39-I53 HydrophobicContact CD1-CB 4.25Å; L39-I53 HydrophobicContact CD1-CG2 3.66Å; I53-S55 PolarHBondContact O-N 3.33Å; I53-A56 WeakPolarHBondContact O-CB 3.48Å; I53-A56 PolarHBondContact O-N 3.25Å; I53-A56 VanDerWaalsContact O-N 3.11Å; I53-Y101 HydrophobicContact CB-CE1 4.27Å; I53-Y101 HydrophobicContact CD1-CD1 3.93Å; I53-Y101 HydrophobicContact CD1-CE1 3.71Å; I53-Y101 HydrophobicContact CD1-CE2 4.41Å; I53-Y101 HydrophobicContact CD1-CG 4.35Å; I53-Y101 HydrophobicContact CG1-CE1 3.99Å; I53-Y101 HydrophobicContact CG1-CE2 4.37Å; I53-Y101 PolarHBondContact N-OH 3.32Å; I53-L135 HydrophobicContact CD1-CD2 4.02Å; I53-F139 HydrophobicContact CG1-CD2 3.88Å; I53-F139 HydrophobicContact CG1-CE2 4.01Å; I53-F142 HydrophobicContact CD1-CB 4.4Å; I53-F142 HydrophobicContact CD1-CD1 3.57Å; I53-F142 HydrophobicContact CD1-CE1 3.98Å; I53-F142 HydrophobicContact CD1-CG 3.92Å; I53-F142 HydrophobicContact CG1-CD1 3.76Å; I53-F142 HydrophobicContact CG1-CE1 4.05Å; I53-F142 HydrophobicContact CG2-CD1 4.45Å; I53-F142 HydrophobicContact CG2-CE1 3.87Å; I53-F142 HydrophobicContact CG2-CZ 4.42Å
54E91.1Very high85.8Confident104 Ų10448.5 Ų48.549%0.48627%0.27SS..THydrogen-bonded Turntrans-48.1135.4-177.5-172-179.7178.200111.5A56 H149 E151E54-A56 PolarHBondContact O-N 2.73Å; E54-A56 VanDerWaalsContact O-N 3.16Å; E54-H149 PolarHBondContact N-O 3.32Å; E54-E151 WeakPolarHBondContact CA-OE1 3.49Å; E54-E151 HydrophobicContact CB-CG 4.36Å; E54-E151 HydrophobicContact CG-CG 4.38Å; E54-E151 WeakPolarHBondContact CG-OE1 3.48Å
55S89.4Confident84.9Confident56 Ų5646.4 Ų46.439%0.39225%0.254SS..THydrogen-bonded Turntrans66.65.7177.985.20000117.1I53 K88 E151I53-S55 PolarHBondContact O-N 3.33Å; S55-K88 PolarHBondContact O-NZ 2.77Å; S55-E151 PolarHBondContact N-OE1 2.97Å
56A94.6Very high84.1Confident2 Ų243.3 Ų43.32%0.01724%0.24CC..PPolyproline II helixtrans-64.1149.7177.100000112.8L39 D41 Y48 I53 E54 Y101L39-A56 HydrophobicContact CB-CB 3.84Å; D41-A56 HydrophobicContact CB-CB 4.44Å; Y48-A56 HydrophobicContact CE2-CB 4.35Å; Y48-A56 PolarHBondContact OH-O 3.18Å; I53-A56 WeakPolarHBondContact O-CB 3.48Å; I53-A56 PolarHBondContact O-N 3.25Å; I53-A56 VanDerWaalsContact O-N 3.11Å; E54-A56 PolarHBondContact O-N 2.73Å; E54-A56 VanDerWaalsContact O-N 3.16Å; A56-Y101 HydrophobicContact CB-CE1 4.07Å; A56-Y101 WeakPolarHBondContact CB-OH 3.34Å
57I94.6Very high83.6Confident0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans-103.3119.8175.3-62.3173000108.9L38 L39 L40 D41 L59 I80 D85 K88 F89L38-I57 HydrophobicContact CD1-CD1 3.79Å; L39-I57 PolarHBondContact O-N 3.16Å; L40-I57 CarbonylContact C-O 3.49Å; L40-I57 WeakPolarHBondContact CA-O 3.38Å; L40-I57 HydrophobicContact CD2-CB 3.96Å; L40-I57 HydrophobicContact CD2-CD1 4.36Å; L40-I57 HydrophobicContact CD2-CG2 4.41Å; D41-I57 PolarHBondContact N-O 3.46Å; I57-L59 PolarHBondContact O-N 3.29Å; I57-I80 HydrophobicContact CG2-CD1 4.39Å; I57-I80 HydrophobicContact CG2-CG1 4.28Å; I57-I80 HydrophobicContact CG2-CG2 3.81Å; I57-D85 HydrophobicContact CB-CB 4.43Å; I57-D85 HydrophobicContact CD1-CB 4.13Å; I57-D85 HydrophobicContact CG1-CB 3.98Å; I57-D85 HydrophobicContact CG2-CB 3.74Å; I57-K88 HydrophobicContact CD1-CB 4.45Å; I57-K88 HydrophobicContact CD1-CD 4.14Å; I57-K88 HydrophobicContact CD1-CG 4.34Å; I57-F89 HydrophobicContact CD1-CB 4.32Å
58N94.1Very high83Confident8 Ų849.9 Ų49.94%0.04326%0.256CS..EExtended strand (participates in β ladder)trans-71.5129173.3-172.7-122.1000112.3D41 R43 H45 Y48 P81D41-N58 PolarHBondContact O-ND2 3.27Å; R43-N58 PolarHBondContact O-ND2 3.42Å; H45-N58 PolarHBondContact ND1-OD1 2.86Å; Y48-N58 HydrophobicContact CD1-CB 3.79Å; Y48-N58 HydrophobicContact CD2-CB 3.64Å; Y48-N58 HydrophobicContact CE1-CB 4.04Å; Y48-N58 HydrophobicContact CE2-CB 3.85Å; Y48-N58 HydrophobicContact CG-CB 3.59Å; N58-P81 VanDerWaalsContact O-CD 3.3Å; N58-P81 WeakPolarHBondContact O-CD 3.33Å
59L91.5Very high82.3Confident6 Ų648.8 Ų48.83%0.03125%0.252CS..  trans-94.5112.2173.2-60.3-173.7000110.3L40 D41 I57 I61 I79 I80 L121L40-L59 HydrophobicContact CB-CD1 4.13Å; L40-L59 HydrophobicContact CB-CG 4.31Å; L40-L59 HydrophobicContact CD1-CD1 4.26Å; L40-L59 HydrophobicContact CD2-CD2 4.36Å; D41-L59 PolarHBondContact O-N 2.77Å; I57-L59 PolarHBondContact O-N 3.29Å; L59-I61 HydrophobicContact CB-CG1 4.44Å; L59-I61 PolarHBondContact O-N 3.15Å; L59-I79 HydrophobicContact CB-CD1 4.33Å; L59-I79 HydrophobicContact CD1-CD1 4.16Å; L59-I79 HydrophobicContact CD2-CD1 4.41Å; L59-I79 HydrophobicContact CD2-CG1 4.47Å; L59-I80 HydrophobicContact CD2-CD1 4.49Å; L59-I80 HydrophobicContact CD2-CG1 3.76Å; L59-L121 HydrophobicContact CD1-CD1 4.25Å
60A82.2Confident81.6Confident38 Ų3851.7 Ų51.731%0.31426%0.263SS..  trans-85.1103171.200000109.6P62 I79 P81A60-P62 VanDerWaalsContact C-CD 3.42Å; A60-P62 WeakPolarHBondContact O-CD 3.27Å; A60-I79 PolarHBondContact N-O 3.34Å; A60-I79 WeakPolarHBondContact O-CA 3.39Å; A60-I79 VanDerWaalsContact O-CB 3.26Å; A60-I79 WeakPolarHBondContact O-CB 3.31Å; A60-P81 HydrophobicContact CB-CB 4.37Å; A60-P81 HydrophobicContact CB-CG 4.17Å
61I73.8Confident81.1Confident36 Ų3656.3 Ų56.319%0.18528%0.275CS..  trans-107.687.2175.6-50.9175.2000109.6L59 G63 L66 I79 V117 L121L59-I61 HydrophobicContact CB-CG1 4.44Å; L59-I61 PolarHBondContact O-N 3.15Å; I61-G63 PolarHBondContact O-N 3.22Å; I61-L66 HydrophobicContact CG2-CD2 3.61Å; I61-L66 HydrophobicContact CG2-CG 4.24Å; I61-I79 HydrophobicContact CD1-CD1 3.95Å; I61-I79 HydrophobicContact CG1-CB 4.29Å; I61-I79 HydrophobicContact CG1-CD1 3.73Å; I61-I79 HydrophobicContact CG1-CG2 4.38Å; I61-V117 HydrophobicContact CD1-CG1 3.78Å; I61-L121 HydrophobicContact CD1-CD1 3.54Å; I61-L121 HydrophobicContact CD1-CD2 3.91Å; I61-L121 HydrophobicContact CD1-CG 4.16Å
62P68.8Low80.2Confident63 Ų6357.8 Ų57.841%0.40929%0.291SS..  trans-52.3137.2169.6-25.631.7000110.6A60 L64 M65A60-P62 VanDerWaalsContact C-CD 3.42Å; A60-P62 WeakPolarHBondContact O-CD 3.27Å; P62-L64 PolarHBondContact O-N 2.8Å; P62-M65 HydrophobicContact CB-CG 4.32Å; P62-M65 HydrophobicContact CB-SD 4.23Å; P62-M65 HydrophobicContact CG-SD 3.78Å; P62-M65 WeakPolarHBondContact O-CA 3.32Å; P62-M65 WeakPolarHBondContact O-CB 3.5Å; P62-M65 PolarHBondContact O-N 2.86Å
63G65.3Low79.4Confident17 Ų1763 Ų6318%0.17532%0.319CS..Hα-helixtrans-58-25.6-178.200000114I61 M65 L66I61-G63 PolarHBondContact O-N 3.22Å; G63-M65 PolarHBondContact O-N 2.94Å; G63-L66 WeakPolarHBondContact O-CB 3.39Å; G63-L66 PolarHBondContact O-N 2.76Å
64L59.2Low78.7Confident140 Ų14063 Ų6373%0.73332%0.319SS*.Hα-helixtrans-63.4-27.9172.8-60.9177.4000113P62P62-L64 PolarHBondContact O-N 2.8Å
65M67.8Low78.5Confident33 Ų3360 Ų6016%0.16331%0.308CS..Hα-helixtrans-87.4-13.9-178.9-64.1175.568.200112.5P62 G63 R67 R68 L69 L74 I79P62-M65 HydrophobicContact CB-CG 4.32Å; P62-M65 HydrophobicContact CB-SD 4.23Å; P62-M65 HydrophobicContact CG-SD 3.78Å; P62-M65 WeakPolarHBondContact O-CA 3.32Å; P62-M65 WeakPolarHBondContact O-CB 3.5Å; P62-M65 PolarHBondContact O-N 2.86Å; G63-M65 PolarHBondContact O-N 2.94Å; M65-R67 VanDerWaalsContact C-N 3.26Å; M65-R67 PolarHBondContact O-N 2.6Å; M65-R68 WeakPolarHBondContact O-CA 3.24Å; M65-R68 WeakPolarHBondContact O-CB 3.49Å; M65-R68 PolarHBondContact O-N 3.25Å; M65-L69 PolarHBondContact O-N 3.07Å; M65-L74 HydrophobicContact CB-CD1 4.41Å; M65-L74 HydrophobicContact CB-CD2 4.02Å; M65-L74 HydrophobicContact CE-CD1 3.26Å; M65-L74 HydrophobicContact CE-CD2 4.2Å; M65-L74 HydrophobicContact CE-CG 4.28Å; M65-I79 HydrophobicContact CE-CG2 3.65Å
66L71Confident78.3Confident26 Ų2657.4 Ų57.414%0.13629%0.29CS..Hα-helixtrans-59.4-36.1174.3-66.6175.4000112.4I61 G63 R68 L69 K70 V117I61-L66 HydrophobicContact CG2-CD2 3.61Å; I61-L66 HydrophobicContact CG2-CG 4.24Å; G63-L66 WeakPolarHBondContact O-CB 3.39Å; G63-L66 PolarHBondContact O-N 2.76Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 3.26Å; L66-L69 PolarHBondContact O-N 3.36Å; L66-K70 WeakPolarHBondContact O-CB 3.34Å; L66-K70 WeakPolarHBondContact O-CG 3.22Å; L66-K70 PolarHBondContact O-N 3.35Å; L66-V117 HydrophobicContact CD2-CB 4.44Å; L66-V117 HydrophobicContact CD2-CG1 3.92Å; L66-V117 HydrophobicContact CD2-CG2 3.62Å
67R74.3Confident78Confident198 Ų19863.9 Ų63.975%0.74731%0.314SS*.Hα-helixtrans-64.2-34.8174.3-70.5-177.3179.6171.60.5112M65 K71M65-R67 VanDerWaalsContact C-N 3.26Å; M65-R67 PolarHBondContact O-N 2.6Å; R67-K71 VanDerWaalsContact O-CG 3.3Å; R67-K71 WeakPolarHBondContact O-CG 3.5Å; R67-K71 PolarHBondContact O-N 3.3Å
68R75.7Confident77.6Confident124 Ų12466.2 Ų66.247%0.46833%0.33SS..Hα-helixtrans-75-38.5177.4-65.5176.560-172.2-1.6111.1M65 L66 K71 G72 N73 L74M65-R68 WeakPolarHBondContact O-CA 3.24Å; M65-R68 WeakPolarHBondContact O-CB 3.49Å; M65-R68 PolarHBondContact O-N 3.25Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 3.26Å; R68-K71 CarbonylContact O-C 3.57Å; R68-K71 PolarHBondContact O-N 3.02Å; R68-G72 PolarHBondContact O-N 3.36Å; R68-N73 PolarHBondContact O-N 3.43Å; R68-L74 HydrophobicContact CB-CB 4.09Å; R68-L74 HydrophobicContact CB-CD1 4.31Å
69L77.6Confident77.2Confident6 Ų666 Ų663%0.03133%0.329CS..Hα-helixtrans-62.5-47.7174.3-174.764.8000111.4M65 L66 K71 G72 L74 V117 L120 L121M65-L69 PolarHBondContact O-N 3.07Å; L66-L69 PolarHBondContact O-N 3.36Å; L69-K71 PolarHBondContact O-N 2.93Å; L69-G72 PolarHBondContact O-N 2.72Å; L69-L74 HydrophobicContact CB-CB 4.37Å; L69-L74 HydrophobicContact CB-CD2 3.93Å; L69-L74 HydrophobicContact CD1-CB 4.46Å; L69-L74 HydrophobicContact CD1-CD2 4.35Å; L69-V117 HydrophobicContact CD2-CG1 4.13Å; L69-L120 HydrophobicContact CD2-CB 4.03Å; L69-L120 HydrophobicContact CG-CB 4.03Å; L69-L121 HydrophobicContact CD1-CD2 4.06Å; L69-L121 HydrophobicContact CD2-CD2 3.93Å; L69-L121 HydrophobicContact CD2-CG 4.08Å
70K74.7Confident77.2Confident144 Ų14466 Ų6663%0.62633%0.33SS*.Hα-helixtrans-58.3-29.6174.7-77-177.7178.6-170.70113.6L66 G72 L120L66-K70 WeakPolarHBondContact O-CB 3.34Å; L66-K70 WeakPolarHBondContact O-CG 3.22Å; L66-K70 PolarHBondContact O-N 3.35Å; K70-G72 VanDerWaalsContact C-N 3.33Å; K70-L120 HydrophobicContact CG-CD1 3.6Å
71K76.6Confident77.2Confident164 Ų16468.2 Ų68.271%0.71334%0.34SS*.THydrogen-bonded Turntrans-87.31176.1-70.3179.7179.5-1710113.2R67 R68 L69 N73R67-K71 VanDerWaalsContact O-CG 3.3Å; R67-K71 WeakPolarHBondContact O-CG 3.5Å; R67-K71 PolarHBondContact O-N 3.3Å; R68-K71 CarbonylContact O-C 3.57Å; R68-K71 PolarHBondContact O-N 3.02Å; L69-K71 PolarHBondContact O-N 2.93Å; K71-N73 PolarHBondContact O-N 3.3Å
72G72.9Confident77.7Confident38 Ų3869.8 Ų69.839%0.39235%0.349SS..THydrogen-bonded Turntrans73.10.5-177.300000115.3R68 L69 K70 L74R68-G72 PolarHBondContact O-N 3.36Å; L69-G72 PolarHBondContact O-N 2.72Å; K70-G72 VanDerWaalsContact C-N 3.33Å; G72-L74 VanDerWaalsContact C-N 3.34Å; G72-L74 PolarHBondContact O-N 2.85Å
73N77.1Confident78.6Confident119 Ų11972.4 Ų72.464%0.63636%0.36SS*.  trans-98.733-170.6-68.3-17000112.8R68 K71R68-N73 PolarHBondContact O-N 3.43Å; K71-N73 PolarHBondContact O-N 3.3Å
74L81.4Confident79.8Confident2 Ų278.5 Ų78.51%0.0138%0.384CS..  trans-125.4112.3178.8-17168.5000110.9M65 R68 L69 G72 S78 I79M65-L74 HydrophobicContact CB-CD1 4.41Å; M65-L74 HydrophobicContact CB-CD2 4.02Å; M65-L74 HydrophobicContact CE-CD1 3.26Å; M65-L74 HydrophobicContact CE-CD2 4.2Å; M65-L74 HydrophobicContact CE-CG 4.28Å; R68-L74 HydrophobicContact CB-CB 4.09Å; R68-L74 HydrophobicContact CB-CD1 4.31Å; L69-L74 HydrophobicContact CB-CB 4.37Å; L69-L74 HydrophobicContact CB-CD2 3.93Å; L69-L74 HydrophobicContact CD1-CB 4.46Å; L69-L74 HydrophobicContact CD1-CD2 4.35Å; G72-L74 VanDerWaalsContact C-N 3.34Å; G72-L74 PolarHBondContact O-N 2.85Å; L74-S78 WeakPolarHBondContact CD1-OG 3.21Å; L74-I79 HydrophobicContact CD2-CG2 3.77Å; L74-I79 HydrophobicContact CG-CG2 4.37Å
75P85.4Confident81.4Confident39 Ų3973.2 Ų73.225%0.25336%0.356SS..  trans-75.4132.3174.828.3-29.7000110.4R77 S78P75-R77 VanDerWaalsContact C-N 3.28Å; P75-R77 HydrophobicContact CB-CG 4.28Å; P75-R77 PolarHBondContact O-N 3.49Å; P75-S78 WeakPolarHBondContact O-CB 3.47Å; P75-S78 PolarHBondContact O-N 2.74Å; P75-S78 PolarHBondContact O-OG 2.99Å
76I86.8Confident82.5Confident3 Ų375 Ų752%0.01536%0.363CS..G310 helixtrans-59.6-35.7-175.5-57.8-60.3000112.4S78 I79 F89 L121 K124 L125I76-S78 PolarHBondContact O-N 2.97Å; I76-I79 HydrophobicContact CD1-CD1 4.2Å; I76-I79 HydrophobicContact CG2-CD1 4.28Å; I76-I79 HydrophobicContact CG2-CG1 4.29Å; I76-I79 WeakPolarHBondContact O-CG1 3.36Å; I76-I79 PolarHBondContact O-N 2.91Å; I76-F89 HydrophobicContact CB-CE1 4.29Å; I76-F89 HydrophobicContact CB-CZ 3.94Å; I76-F89 HydrophobicContact CG2-CE1 4.23Å; I76-F89 HydrophobicContact CG2-CE2 3.98Å; I76-F89 HydrophobicContact CG2-CZ 3.65Å; I76-L121 HydrophobicContact CD1-CD2 3.56Å; I76-K124 HydrophobicContact CD1-CB 4.31Å; I76-K124 HydrophobicContact CD1-CG 3.9Å; I76-K124 HydrophobicContact CG1-CG 4.07Å; I76-L125 HydrophobicContact CB-CD2 4.36Å; I76-L125 HydrophobicContact CG1-CD2 3.95Å; I76-L125 HydrophobicContact CG1-CG 4.15Å; I76-L125 HydrophobicContact CG2-CD2 4.21Å
77R87.4Confident83.5Confident138 Ų13879.1 Ų79.152%0.52138%0.382SS..G310 helixtrans-57.8-17.5173.768.3173.6-177.1-890.4114.8P75 K86 F89 V90P75-R77 VanDerWaalsContact C-N 3.28Å; P75-R77 HydrophobicContact CB-CG 4.28Å; P75-R77 PolarHBondContact O-N 3.49Å; R77-K86 HydrophobicContact CB-CG 4.33Å; R77-K86 WeakPolarHBondContact O-CE 3.4Å; R77-F89 HydrophobicContact CB-CD1 4.43Å; R77-V90 HydrophobicContact CB-CG2 4.44Å
78S85.9Confident84.3Confident48 Ų4872.3 Ų72.334%0.33636%0.357SS..G310 helixtrans-86.5-11.5179.569.90000113.8L74 P75 I76L74-S78 WeakPolarHBondContact CD1-OG 3.21Å; P75-S78 WeakPolarHBondContact O-CB 3.47Å; P75-S78 PolarHBondContact O-N 2.74Å; P75-S78 PolarHBondContact O-OG 2.99Å; I76-S78 PolarHBondContact O-N 2.97Å
79I86.9Confident85.2Confident3 Ų367 Ų672%0.01534%0.338CS..SBendtrans-102.15.2174.855.9164.8000112.4L59 A60 I61 M65 L74 I76 L121L59-I79 HydrophobicContact CB-CD1 4.33Å; L59-I79 HydrophobicContact CD1-CD1 4.16Å; L59-I79 HydrophobicContact CD2-CD1 4.41Å; L59-I79 HydrophobicContact CD2-CG1 4.47Å; A60-I79 PolarHBondContact N-O 3.34Å; A60-I79 WeakPolarHBondContact O-CA 3.39Å; A60-I79 VanDerWaalsContact O-CB 3.26Å; A60-I79 WeakPolarHBondContact O-CB 3.31Å; I61-I79 HydrophobicContact CD1-CD1 3.95Å; I61-I79 HydrophobicContact CG1-CB 4.29Å; I61-I79 HydrophobicContact CG1-CD1 3.73Å; I61-I79 HydrophobicContact CG1-CG2 4.38Å; M65-I79 HydrophobicContact CE-CG2 3.65Å; L74-I79 HydrophobicContact CD2-CG2 3.77Å; L74-I79 HydrophobicContact CG-CG2 4.37Å; I76-I79 HydrophobicContact CD1-CD1 4.2Å; I76-I79 HydrophobicContact CG2-CD1 4.28Å; I76-I79 HydrophobicContact CG2-CG1 4.29Å; I76-I79 WeakPolarHBondContact O-CG1 3.36Å; I76-I79 PolarHBondContact O-N 2.91Å; I79-L121 HydrophobicContact CD1-CD2 3.66Å
80I90.1Very high85.9Confident8 Ų870.8 Ų70.84%0.04136%0.361CS..  trans-93.3115.8171.8-58.5174000107.4I57 L59 D85 K86 F89I57-I80 HydrophobicContact CG2-CD1 4.39Å; I57-I80 HydrophobicContact CG2-CG1 4.28Å; I57-I80 HydrophobicContact CG2-CG2 3.81Å; L59-I80 HydrophobicContact CD2-CD1 4.49Å; L59-I80 HydrophobicContact CD2-CG1 3.76Å; I80-D85 HydrophobicContact CG2-CB 3.68Å; I80-K86 HydrophobicContact CB-CB 4.36Å; I80-K86 HydrophobicContact CG2-CB 4.09Å; I80-F89 HydrophobicContact CD1-CB 3.42Å; I80-F89 VanDerWaalsContact CD1-CB 3.42Å; I80-F89 HydrophobicContact CD1-CD1 3.84Å; I80-F89 HydrophobicContact CD1-CD2 3.88Å; I80-F89 HydrophobicContact CD1-CG 3.42Å; I80-F89 VanDerWaalsContact CD1-CG 3.42Å
81P81.9Confident86.7Confident83 Ų8370.7 Ų70.754%0.53936%0.36SS..  trans-74.4-40.1-17327.2-32.1000112.8N58 A60N58-P81 VanDerWaalsContact O-CD 3.3Å; N58-P81 WeakPolarHBondContact O-CD 3.33Å; A60-P81 HydrophobicContact CB-CB 4.37Å; A60-P81 HydrophobicContact CB-CG 4.17Å
82N86Confident87.5Confident70 Ų7066.6 Ų66.637%0.37434%0.34SS..SBendtrans-81.7134.4-177.9-177.5-8.6000111.4E84 D85 K86N82-E84 WeakPolarHBondContact OD1-CB 3.35Å; N82-E84 PolarHBondContact OD1-N 3.26Å; N82-D85 HydrophobicContact CB-CB 4.09Å; N82-D85 VanDerWaalsContact CB-OD2 3.26Å; N82-D85 WeakPolarHBondContact CB-OD2 3.43Å; N82-D85 PolarHBondContact ND2-OD2 2.59Å; N82-D85 VanDerWaalsContact ND2-OD2 3.12Å; N82-K86 VanDerWaalsContact O-CB 3.22Å; N82-K86 WeakPolarHBondContact O-CB 2.84Å; N82-K86 PolarHBondContact O-N 3.04Å
83N87.5Confident88.4Confident118 Ų11865.3 Ų65.363%0.63133%0.326SS*.Hα-helixtrans-66.5-35.4177.3-78.1-31.4000112.8K86 E87N83-K86 WeakPolarHBondContact O-CB 3.47Å; N83-K86 PolarHBondContact O-N 3Å; N83-E87 PolarHBondContact O-N 3.1Å
84E90Very high89.2Confident145 Ų14566.7 Ų66.768%0.67833%0.326SS*.Hα-helixtrans-65.4-50.1177.7-176.9174.6-175.600110.9N82 K86 E87 K88N82-E84 WeakPolarHBondContact OD1-CB 3.35Å; N82-E84 PolarHBondContact OD1-N 3.26Å; E84-K86 PolarHBondContact O-N 2.9Å; E84-E87 WeakPolarHBondContact O-CB 3.2Å; E84-E87 PolarHBondContact O-N 3.34Å; E84-E87 VanDerWaalsContact O-N 3.11Å; E84-K88 WeakPolarHBondContact O-CB 3.37Å; E84-K88 PolarHBondContact O-N 3.46Å
85D92.3Very high89.7Confident28 Ų2871 Ų7115%0.1535%0.352CS..Hα-helixtrans-62.1-34176.1-67.3-40.4000112.3I57 I80 N82 K88 F89I57-D85 HydrophobicContact CB-CB 4.43Å; I57-D85 HydrophobicContact CD1-CB 4.13Å; I57-D85 HydrophobicContact CG1-CB 3.98Å; I57-D85 HydrophobicContact CG2-CB 3.74Å; I80-D85 HydrophobicContact CG2-CB 3.68Å; N82-D85 HydrophobicContact CB-CB 4.09Å; N82-D85 VanDerWaalsContact CB-OD2 3.26Å; N82-D85 WeakPolarHBondContact CB-OD2 3.43Å; N82-D85 PolarHBondContact ND2-OD2 2.59Å; N82-D85 VanDerWaalsContact ND2-OD2 3.12Å; D85-K88 PolarHBondContact O-N 3.34Å; D85-F89 VanDerWaalsContact O-CB 3.3Å; D85-F89 WeakPolarHBondContact O-CB 3.23Å; D85-F89 PolarHBondContact O-N 2.88Å
86K91.5Very high90.1Very high72 Ų7269.6 Ų69.631%0.31334%0.343SS..Hα-helixtrans-65.4-41.7175.4-175.4177.9-172.2169.30111.6R77 I80 N82 N83 E84 V90R77-K86 HydrophobicContact CB-CG 4.33Å; R77-K86 WeakPolarHBondContact O-CE 3.4Å; I80-K86 HydrophobicContact CB-CB 4.36Å; I80-K86 HydrophobicContact CG2-CB 4.09Å; N82-K86 VanDerWaalsContact O-CB 3.22Å; N82-K86 WeakPolarHBondContact O-CB 2.84Å; N82-K86 PolarHBondContact O-N 3.04Å; N83-K86 WeakPolarHBondContact O-CB 3.47Å; N83-K86 PolarHBondContact O-N 3Å; E84-K86 PolarHBondContact O-N 2.9Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.34Å; K86-V90 PolarHBondContact O-N 2.83Å
87E91.5Very high90.4Very high112 Ų11271 Ų7152%0.52335%0.351SS..Hα-helixtrans-66.2-43.9172.6-74.5-166.4-166.200112N83 E84 F89 V90 K91N83-E87 PolarHBondContact O-N 3.1Å; E84-E87 WeakPolarHBondContact O-CB 3.2Å; E84-E87 PolarHBondContact O-N 3.34Å; E84-E87 VanDerWaalsContact O-N 3.11Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.2Å; E87-V90 PolarHBondContact O-N 2.9Å; E87-K91 WeakPolarHBondContact O-CB 3.46Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.44Å; E87-K91 PolarHBondContact O-N 3.45Å; E87-K91 IonicContact OE2-NZ 3.66Å; E87-K91 PolarHBondContact OE2-NZ 3Å
88K91.8Very high90.8Very high54 Ų5464.4 Ų64.424%0.23533%0.326CS..Hα-helixtrans-55.1-47.7175.3-175.9179.5174.7-172.10110.4L38 S55 I57 E84 D85 K91 R92L38-K88 HydrophobicContact CD1-CG 4.31Å; S55-K88 PolarHBondContact O-NZ 2.77Å; I57-K88 HydrophobicContact CD1-CB 4.45Å; I57-K88 HydrophobicContact CD1-CD 4.14Å; I57-K88 HydrophobicContact CD1-CG 4.34Å; E84-K88 WeakPolarHBondContact O-CB 3.37Å; E84-K88 PolarHBondContact O-N 3.46Å; D85-K88 PolarHBondContact O-N 3.34Å; K88-K91 PolarHBondContact O-N 2.89Å; K88-R92 WeakPolarHBondContact O-CB 3.39Å; K88-R92 WeakPolarHBondContact O-CG 3.44Å; K88-R92 PolarHBondContact O-N 2.99Å; K88-R92 VanDerWaalsContact O-N 3.07Å
89F93.9Very high91.2Very high13 Ų1362.1 Ų62.16%0.05731%0.31CS..Hα-helixtrans-61.1-50.4175.8177.4-92.5000112.1L38 L40 I57 I76 R77 I80 D85 E87 K91 R92 C93 L125L38-F89 HydrophobicContact CD2-CD2 3.71Å; L38-F89 HydrophobicContact CD2-CE2 4.32Å; L38-F89 HydrophobicContact CD2-CG 4.49Å; L40-F89 HydrophobicContact CD1-CE2 4.17Å; L40-F89 HydrophobicContact CD2-CD2 4.17Å; I57-F89 HydrophobicContact CD1-CB 4.32Å; I76-F89 HydrophobicContact CB-CE1 4.29Å; I76-F89 HydrophobicContact CB-CZ 3.94Å; I76-F89 HydrophobicContact CG2-CE1 4.23Å; I76-F89 HydrophobicContact CG2-CE2 3.98Å; I76-F89 HydrophobicContact CG2-CZ 3.65Å; R77-F89 HydrophobicContact CB-CD1 4.43Å; I80-F89 HydrophobicContact CD1-CB 3.42Å; I80-F89 VanDerWaalsContact CD1-CB 3.42Å; I80-F89 HydrophobicContact CD1-CD1 3.84Å; I80-F89 HydrophobicContact CD1-CD2 3.88Å; I80-F89 HydrophobicContact CD1-CG 3.42Å; I80-F89 VanDerWaalsContact CD1-CG 3.42Å; D85-F89 VanDerWaalsContact O-CB 3.3Å; D85-F89 WeakPolarHBondContact O-CB 3.23Å; D85-F89 PolarHBondContact O-N 2.88Å; E87-F89 VanDerWaalsContact C-N 3.3Å; E87-F89 PolarHBondContact O-N 3.2Å; F89-K91 VanDerWaalsContact C-N 3.27Å; F89-K91 PolarHBondContact O-N 2.94Å; F89-R92 PolarHBondContact O-N 2.72Å; F89-C93 HydrophobicContact CD1-CB 4.32Å; F89-C93 HydrophobicContact CD2-CB 4.03Å; F89-C93 HydrophobicContact CE1-CB 4.03Å; F89-C93 HydrophobicContact CE2-CB 3.72Å; F89-C93 HydrophobicContact CG-CB 4.3Å; F89-C93 HydrophobicContact CZ-CB 3.71Å; F89-C93 WeakPolarHBondContact O-CB 3.28Å; F89-C93 PolarHBondContact O-N 3.34Å; F89-C93 PolarHBondContact O-SG 3.47Å; F89-L125 HydrophobicContact CE2-CD2 3.92Å; F89-L125 HydrophobicContact CZ-CD2 3.7Å
90V92.8Very high91.6Very high85 Ų8562 Ų6252%0.51531%0.31SS..Hα-helixtrans-60.7-37.4-178.6168.20000112R77 K86 E87R77-V90 HydrophobicContact CB-CG2 4.44Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.34Å; K86-V90 PolarHBondContact O-N 2.83Å; E87-V90 PolarHBondContact O-N 2.9Å
91K92.2Very high91.7Very high143 Ų14361.6 Ų61.662%0.62231%0.308SS*.Hα-helixtrans-71.6-37.9179.6-71.6167.6-172.4159.80112.1E87 K88 F89E87-K91 WeakPolarHBondContact O-CB 3.46Å; E87-K91 VanDerWaalsContact O-CG 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.44Å; E87-K91 PolarHBondContact O-N 3.45Å; E87-K91 IonicContact OE2-NZ 3.66Å; E87-K91 PolarHBondContact OE2-NZ 3Å; K88-K91 PolarHBondContact O-N 2.89Å; F89-K91 VanDerWaalsContact C-N 3.27Å; F89-K91 PolarHBondContact O-N 2.94Å
92R93Very high92.1Very high77 Ų7759.1 Ų59.129%0.29129%0.29SS..Hα-helixtrans-106.8-21.9-166.7-63.3-179.468.5-170.5-6.8115.3L37 L38 K88 F89 K94 T95 D96L37-R92 PolarHBondContact O-NH2 3.29Å; L38-R92 HydrophobicContact CD1-CB 4.47Å; L38-R92 HydrophobicContact CD2-CB 4.49Å; K88-R92 WeakPolarHBondContact O-CB 3.39Å; K88-R92 WeakPolarHBondContact O-CG 3.44Å; K88-R92 PolarHBondContact O-N 2.99Å; K88-R92 VanDerWaalsContact O-N 3.07Å; F89-R92 PolarHBondContact O-N 2.72Å; R92-K94 PolarHBondContact O-N 2.95Å; R92-T95 PolarHBondContact O-N 2.68Å; R92-T95 PolarHBondContact O-OG1 3.46Å; R92-T95 VanDerWaalsContact O-OG1 3.04Å; R92-D96 HydrophobicContact CB-CB 4.29Å; R92-D96 IonicContact CZ-OD2 3.74Å; R92-D96 IonicContact NE-OD2 3.97Å; R92-D96 PolarHBondContact NE-OD2 3.01Å; R92-D96 IonicContact NH2-OD2 3.12Å; R92-D96 PolarHBondContact NH2-OD2 2.84Å; R92-D96 VanDerWaalsContact O-CB 3.28Å; R92-D96 WeakPolarHBondContact O-CB 3.42Å; R92-D96 PolarHBondContact O-N 2.9Å
93C91.9Very high92.2Very high12 Ų1259 Ų598%0.08129%0.287CS..THydrogen-bonded Turntrans-60.9-22.9-168.366.90000115.7L38 F89 V98 C130L38-C93 HydrophobicContact CD2-CB 4.26Å; F89-C93 HydrophobicContact CD1-CB 4.32Å; F89-C93 HydrophobicContact CD2-CB 4.03Å; F89-C93 HydrophobicContact CE1-CB 4.03Å; F89-C93 HydrophobicContact CE2-CB 3.72Å; F89-C93 HydrophobicContact CG-CB 4.3Å; F89-C93 HydrophobicContact CZ-CB 3.71Å; F89-C93 WeakPolarHBondContact O-CB 3.28Å; F89-C93 PolarHBondContact O-N 3.34Å; F89-C93 PolarHBondContact O-SG 3.47Å; C93-V98 HydrophobicContact CB-CG2 4.47Å; C93-C130 VanDerWaalsContact O-CB 3.31Å; C93-C130 WeakPolarHBondContact O-CB 3.39Å; C93-C130 PolarHBondContact O-SG 3.35Å; C93-C130 VanDerWaalsContact O-SG 3.38Å
94K92.4Very high92Very high147 Ų14755.9 Ų55.964%0.63928%0.277SS*.THydrogen-bonded Turntrans-95.4-23.7178.2-66.6-172175.9-173.70113.9R92R92-K94 PolarHBondContact O-N 2.95Å
95T91.9Very high91Very high92 Ų9251 Ų5156%0.56426%0.258SS*.THydrogen-bonded Turntrans-91.2-38.2-178.147.50000111.1R92R92-T95 PolarHBondContact O-N 2.68Å; R92-T95 PolarHBondContact O-OG1 3.46Å; R92-T95 VanDerWaalsContact O-OG1 3.04Å
96D93.6Very high89.5Confident11 Ų1154.3 Ų54.36%0.05928%0.283CS..SBendtrans-96.3157.5-168.5-66.539000111.3A36 L38 R92 V98A36-D96 HydrophobicContact CB-CB 4.17Å; A36-D96 CarbonylContact O-C 3.57Å; A36-D96 WeakPolarHBondContact O-CA 3.42Å; A36-D96 WeakPolarHBondContact O-CB 3.42Å; L38-D96 HydrophobicContact CB-CB 4.34Å; R92-D96 HydrophobicContact CB-CB 4.29Å; R92-D96 IonicContact CZ-OD2 3.74Å; R92-D96 IonicContact NE-OD2 3.97Å; R92-D96 PolarHBondContact NE-OD2 3.01Å; R92-D96 IonicContact NH2-OD2 3.12Å; R92-D96 PolarHBondContact NH2-OD2 2.84Å; R92-D96 VanDerWaalsContact O-CB 3.28Å; R92-D96 WeakPolarHBondContact O-CB 3.42Å; R92-D96 PolarHBondContact O-N 2.9Å; D96-V98 PolarHBondContact O-N 2.89Å
97V94.4Very high87.8Confident31 Ų3153.2 Ų53.219%0.18828%0.281CS..EExtended strand (participates in β ladder)trans-68.9124.1165.51780000107.7W25 A36 L37 L38 F133W25-V97 HydrophobicContact CH2-CG1 4.02Å; A36-V97 PolarHBondContact O-N 3.47Å; L37-V97 HydrophobicContact CD1-CB 4.32Å; L37-V97 HydrophobicContact CD1-CG1 4.3Å; L38-V97 PolarHBondContact N-O 3.19Å; V97-F133 HydrophobicContact CG1-CD2 3.77Å; V97-F133 HydrophobicContact CG1-CE2 4.04Å
98V95.6Very high85.7Confident0 Ų059.4 Ų59.40%030%0.299CS..EExtended strand (participates in β ladder)trans-98.7117.5176.9-176.30000108.1L38 L40 C93 D96 L100 L125 C130 K131 A132 F133L38-V98 HydrophobicContact CB-CG2 4.44Å; L38-V98 HydrophobicContact CD2-CG2 4.26Å; L38-V98 WeakPolarHBondContact O-CA 3.29Å; L40-V98 HydrophobicContact CD1-CG1 3.46Å; L40-V98 VanDerWaalsContact CD1-CG1 3.46Å; L40-V98 HydrophobicContact CG-CG1 3.9Å; C93-V98 HydrophobicContact CB-CG2 4.47Å; D96-V98 PolarHBondContact O-N 2.89Å; V98-L100 HydrophobicContact CG1-CD1 4.16Å; V98-L125 HydrophobicContact CG1-CD1 4.07Å; V98-C130 HydrophobicContact CG2-CB 4.15Å; V98-K131 PolarHBondContact N-O 3.1Å; V98-A132 HydrophobicContact CB-CB 4.28Å; V98-A132 CarbonylContact O-C 3.35Å; V98-A132 VanDerWaalsContact O-CA 3.26Å; V98-A132 WeakPolarHBondContact O-CA 3.39Å; V98-F133 PolarHBondContact O-N 3.48Å
99L95.1Very high83.5Confident0 Ų063.7 Ų63.70%032%0.32CS..EExtended strand (participates in β ladder)trans-114.6122.5179.3-172.972.6000109.9K21 W25 L26 L37 L38 L39 L40 F133 L135K21-L99 HydrophobicContact CB-CD1 3.84Å; K21-L99 HydrophobicContact CG-CD1 4.01Å; W25-L99 HydrophobicContact CZ3-CD2 4.17Å; L26-L99 HydrophobicContact CB-CD2 4.33Å; L26-L99 HydrophobicContact CD1-CD2 3.78Å; L26-L99 HydrophobicContact CD2-CD2 3.83Å; L26-L99 HydrophobicContact CG-CD2 4.2Å; L37-L99 HydrophobicContact CD1-CB 4.03Å; L38-L99 PolarHBondContact O-N 3.44Å; L39-L99 HydrophobicContact CD2-CB 4.1Å; L39-L99 HydrophobicContact CD2-CD2 3.85Å; L39-L99 HydrophobicContact CD2-CG 4.38Å; L40-L99 PolarHBondContact N-O 3.01Å; L99-F133 WeakPolarHBondContact CA-O 3.34Å; L99-F133 HydrophobicContact CD1-CB 3.84Å; L99-L135 HydrophobicContact CD1-CB 4.47Å; L99-L135 HydrophobicContact CD2-CB 4.33Å; L99-L135 HydrophobicContact CD2-CD1 4.24Å; L99-L135 HydrophobicContact CG-CB 4.38Å
100L94.1Very high81.5Confident0 Ų070.3 Ų70.30%035%0.351CS..EExtended strand (participates in β ladder)trans-102141.5178.3-60.183.4000109.9L40 V98 M118 L121 L122 L125 A132 F133 Y134 L135L40-L100 HydrophobicContact CB-CG 4.22Å; L40-L100 HydrophobicContact CD1-CG 4.21Å; L40-L100 WeakPolarHBondContact O-CA 3.49Å; V98-L100 HydrophobicContact CG1-CD1 4.16Å; L100-M118 HydrophobicContact CB-CE 4.43Å; L100-M118 HydrophobicContact CB-SD 3.51Å; L100-M118 VanDerWaalsContact CB-SD 3.51Å; L100-M118 HydrophobicContact CD2-SD 3.91Å; L100-M118 HydrophobicContact CG-SD 4.37Å; L100-L121 HydrophobicContact CD2-CB 3.79Å; L100-L121 HydrophobicContact CD2-CD1 4.38Å; L100-L122 HydrophobicContact CD1-CD1 3.92Å; L100-L125 HydrophobicContact CD1-CD1 3.69Å; L100-L125 HydrophobicContact CD2-CD1 3.81Å; L100-L125 HydrophobicContact CG-CD1 4.15Å; L100-A132 HydrophobicContact CD1-CB 4.24Å; L100-F133 WeakPolarHBondContact CD1-O 3.44Å; L100-F133 PolarHBondContact N-O 3.43Å; L100-Y134 CarbonylContact O-C 3.43Å; L100-Y134 WeakPolarHBondContact O-CA 3.08Å; L100-L135 PolarHBondContact O-N 2.89Å
101Y93.1Very high79.5Confident1 Ų171.7 Ų71.70%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-140152.6171.767.4-94.5000111.4L40 D41 C42 I53 A56 M118 L135 F139L40-Y101 PolarHBondContact O-N 3.43Å; L40-Y101 VanDerWaalsContact O-N 3.07Å; D41-Y101 HydrophobicContact CB-CE1 4.13Å; D41-Y101 HydrophobicContact CB-CE2 3.91Å; D41-Y101 VanDerWaalsContact CB-OH 3.29Å; D41-Y101 WeakPolarHBondContact CB-OH 3.47Å; D41-Y101 VanDerWaalsContact CG-CZ 3.43Å; D41-Y101 VanDerWaalsContact CG-OH 3.24Å; D41-Y101 WeakPolarHBondContact OD2-CE2 3.5Å; D41-Y101 VanDerWaalsContact OD2-CZ 3.22Å; D41-Y101 PolarHBondContact OD2-OH 2.82Å; C42-Y101 WeakPolarHBondContact CB-O 3.49Å; C42-Y101 PolarHBondContact N-O 2.87Å; I53-Y101 HydrophobicContact CB-CE1 4.27Å; I53-Y101 HydrophobicContact CD1-CD1 3.93Å; I53-Y101 HydrophobicContact CD1-CE1 3.71Å; I53-Y101 HydrophobicContact CD1-CE2 4.41Å; I53-Y101 HydrophobicContact CD1-CG 4.35Å; I53-Y101 HydrophobicContact CG1-CE1 3.99Å; I53-Y101 HydrophobicContact CG1-CE2 4.37Å; I53-Y101 PolarHBondContact N-OH 3.32Å; A56-Y101 HydrophobicContact CB-CE1 4.07Å; A56-Y101 WeakPolarHBondContact CB-OH 3.34Å; Y101-M118 VanDerWaalsContact C-CE 3.47Å; Y101-L135 HydrophobicContact CG-CD2 4.35Å; Y101-F139 HydrophobicContact CD2-CB 3.87Å; Y101-F139 HydrophobicContact CD2-CD2 4.44Å; Y101-F139 HydrophobicContact CE2-CB 3.98Å; Y101-F139 AromaticContact CE2-CD2 3.82Å; Y101-F139 HydrophobicContact CE2-CD2 3.82Å; Y101-F139 HydrophobicContact CE2-CG 4.28Å
102D89.7Confident77.6Confident30 Ų3066.8 Ų66.816%0.1635%0.354CS..  trans-118.6-161.1169.960.320.8000110.1A104 T105 M118 G138 F139D102-A104 PolarHBondContact OD1-N 3.33Å; D102-T105 VanDerWaalsContact CG-OG1 3.23Å; D102-T105 VanDerWaalsContact OD1-CB 3.23Å; D102-T105 WeakPolarHBondContact OD1-CB 3.48Å; D102-T105 PolarHBondContact OD1-N 3.5Å; D102-T105 PolarHBondContact OD1-OG1 3.24Å; D102-T105 WeakPolarHBondContact OD2-CB 3.38Å; D102-T105 PolarHBondContact OD2-OG1 2.93Å; D102-M118 HydrophobicContact CB-CE 3.52Å; D102-G138 CarbonylContact O-C 3.55Å; D102-G138 WeakPolarHBondContact O-CA 3.46Å; D102-F139 WeakPolarHBondContact O-CB 3.48Å; D102-F139 PolarHBondContact O-N 3.08Å
103E88.2Confident75.8Confident68 Ų6863.7 Ų63.732%0.31834%0.344SS..SBendtrans-66.4-49.3-176.5-172.565.4-169.300112.9R43 L47 F139 N140R43-E103 WeakPolarHBondContact CD-OE2 3.42Å; R43-E103 HydrophobicContact CG-CB 4.44Å; R43-E103 IonicContact NH1-OE2 2.77Å; R43-E103 PolarHBondContact NH1-OE2 3.29Å; L47-E103 VanDerWaalsContact CD1-OE2 3.32Å; L47-E103 WeakPolarHBondContact CD1-OE2 3.48Å; E103-F139 PolarHBondContact O-N 3.08Å; E103-N140 WeakPolarHBondContact O-CB 3.39Å; E103-N140 PolarHBondContact O-N 2.94Å; E103-N140 PolarHBondContact O-ND2 2.88Å; E103-N140 PolarHBondContact OE1-ND2 2.67Å; E103-N140 VanDerWaalsContact OE1-ND2 3.07Å; E103-N140 PolarHBondContact OE1-OD1 3.27Å
104A82.3Confident74.1Confident52 Ų5265.8 Ų65.843%0.4337%0.367SS..SBendtrans-161.924.9-167.300000114.4D102 S106D102-A104 PolarHBondContact OD1-N 3.33Å; A104-S106 PolarHBondContact O-N 3.24Å
105T70.4Confident72.7Confident44 Ų4463 Ų6327%0.2737%0.366SS..  trans-67.4106.8180-71.20000110.5D102 L113 G137D102-T105 VanDerWaalsContact CG-OG1 3.23Å; D102-T105 VanDerWaalsContact OD1-CB 3.23Å; D102-T105 WeakPolarHBondContact OD1-CB 3.48Å; D102-T105 PolarHBondContact OD1-N 3.5Å; D102-T105 PolarHBondContact OD1-OG1 3.24Å; D102-T105 WeakPolarHBondContact OD2-CB 3.38Å; D102-T105 PolarHBondContact OD2-OG1 2.93Å; T105-L113 HydrophobicContact CG2-CD1 4.24Å; T105-G137 WeakPolarHBondContact O-CA 3.5Å; T105-G137 PolarHBondContact O-N 2.83Å
106S61.3Low72Confident96 Ų9660.4 Ų60.467%0.67135%0.352SS*.  trans-103.9101.2168.750.90000107.9A104 R108A104-S106 PolarHBondContact O-N 3.24Å; S106-R108 PolarHBondContact O-N 3.41Å
107D54.4Low71.3Confident50 Ų5062.7 Ų62.727%0.26737%0.366SS..  trans-82.9113.6-176.1-138.4-10.5000110.7H109 L113D107-H109 PolarHBondContact OD1-N 2.92Å; D107-L113 WeakPolarHBondContact OD2-CD2 3.36Å
108R47.4Very low70.7Confident241 Ų24161.8 Ų61.891%0.90936%0.36SS*.SBendtrans-114.67.6157.7-66.4-171.183.8-176.36.4111.7S106S106-R108 PolarHBondContact O-N 3.41Å
109H46.8Very low70.1Confident145 Ų14562 Ų6267%0.67136%0.361SS*.  trans-135.585.4-178.2-100.1-78.5000111.7D107 S111 G112D107-H109 PolarHBondContact OD1-N 2.92Å; H109-S111 PolarHBondContact O-N 3.5Å; H109-G112 PolarHBondContact O-N 3.07Å
110E51.3Low69.6Low152 Ų15263.7 Ų63.771%0.7137%0.371SS*.THydrogen-bonded Turntrans-48.9-17175.3-63.9-173146.900115
111S50.3Low69.3Low114 Ų11463.8 Ų63.880%0.79737%0.371SS*.THydrogen-bonded Turntrans-77.8-16.7-176-43.50000114.8H109H109-S111 PolarHBondContact O-N 3.5Å
112G51.9Low69Low40 Ų4063.8 Ų63.841%0.41237%0.371SS..THydrogen-bonded Turntrans-103.4-26.8-172.200000115.6H109 G114 S115H109-G112 PolarHBondContact O-N 3.07Å; G112-G114 PolarHBondContact O-N 3.47Å; G112-S115 PolarHBondContact O-N 3Å; G112-S115 PolarHBondContact O-OG 2.78Å
113L55.5Low68.8Low12 Ų1265.8 Ų65.86%0.06338%0.379CS..G310 helixtrans-71.2-30.5-166.4-152.773000113.2M18 T105 D107 S115 S116 G119 Y134M18-L113 HydrophobicContact CE-CB 4.13Å; M18-L113 HydrophobicContact CE-CD2 3.55Å; M18-L113 HydrophobicContact CE-CG 3.96Å; M18-L113 HydrophobicContact SD-CB 4.02Å; M18-L113 HydrophobicContact SD-CD2 4.09Å; M18-L113 HydrophobicContact SD-CG 4.46Å; T105-L113 HydrophobicContact CG2-CD1 4.24Å; D107-L113 WeakPolarHBondContact OD2-CD2 3.36Å; L113-S115 PolarHBondContact O-N 2.76Å; L113-S116 WeakPolarHBondContact CD1-OG 3.34Å; L113-S116 PolarHBondContact O-N 3.17Å; L113-S116 PolarHBondContact O-OG 3.06Å; L113-G119 WeakPolarHBondContact O-CA 3.36Å; L113-Y134 HydrophobicContact CD2-CD1 4.31Å; L113-Y134 HydrophobicContact CD2-CE1 4.03Å
114G57.3Low68.8Low56 Ų5664.3 Ų64.358%0.57737%0.372SS*.G310 helixtrans-60.2-15.8175.500000114.8G112G112-G114 PolarHBondContact O-N 3.47Å
115S61.5Low69.2Low89 Ų8961.9 Ų61.962%0.62235%0.352SS*.G310 helixtrans-105.1-9.1175.772.80000114.2G112 L113G112-S115 PolarHBondContact O-N 3Å; G112-S115 PolarHBondContact O-OG 2.78Å; L113-S115 PolarHBondContact O-N 2.76Å
116S77.1Confident70.1Confident36 Ų3662 Ų6225%0.25235%0.347SS..SBendtrans-78158.1-179.584.10000111L113 M118 G119 L120L113-S116 WeakPolarHBondContact CD1-OG 3.34Å; L113-S116 PolarHBondContact O-N 3.17Å; L113-S116 PolarHBondContact O-OG 3.06Å; S116-M118 PolarHBondContact O-N 3.28Å; S116-M118 PolarHBondContact OG-N 3.12Å; S116-G119 PolarHBondContact O-N 3.25Å; S116-G119 PolarHBondContact OG-N 3.42Å; S116-L120 VanDerWaalsContact O-CG 3.28Å; S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.02Å
117V78.9Confident71.4Confident59 Ų5962.4 Ų62.436%0.35834%0.342SS..Hα-helixtrans-59.2-42.3175.9-178.20000110.3I61 L66 L69 L120 L121I61-V117 HydrophobicContact CD1-CG1 3.78Å; L66-V117 HydrophobicContact CD2-CB 4.44Å; L66-V117 HydrophobicContact CD2-CG1 3.92Å; L66-V117 HydrophobicContact CD2-CG2 3.62Å; L69-V117 HydrophobicContact CD2-CG1 4.13Å; V117-L120 PolarHBondContact O-N 3.22Å; V117-L121 HydrophobicContact CG1-CD1 4.11Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.13Å; V117-L121 PolarHBondContact O-N 3.3Å
118M83.6Confident73Confident13 Ų1363.1 Ų63.16%0.06435%0.346CS..Hα-helixtrans-59.1-48176.7-172.16374.600112C42 L100 Y101 D102 S116 L120 L121 L122C42-M118 HydrophobicContact CB-CE 3.59Å; C42-M118 HydrophobicContact CB-SD 4.46Å; L100-M118 HydrophobicContact CB-CE 4.43Å; L100-M118 HydrophobicContact CB-SD 3.51Å; L100-M118 VanDerWaalsContact CB-SD 3.51Å; L100-M118 HydrophobicContact CD2-SD 3.91Å; L100-M118 HydrophobicContact CG-SD 4.37Å; Y101-M118 VanDerWaalsContact C-CE 3.47Å; D102-M118 HydrophobicContact CB-CE 3.52Å; S116-M118 PolarHBondContact O-N 3.28Å; S116-M118 PolarHBondContact OG-N 3.12Å; M118-L120 PolarHBondContact O-N 3.46Å; M118-L121 PolarHBondContact O-N 2.73Å; M118-L122 WeakPolarHBondContact O-CB 3.18Å; M118-L122 PolarHBondContact O-N 3.05Å
119G82.1Confident75Confident3 Ų354.2 Ų54.23%0.03133%0.329CS..Hα-helixtrans-67.2-35.5179.200000113.1L113 S116 L122 Q123L113-G119 WeakPolarHBondContact O-CA 3.36Å; S116-G119 PolarHBondContact O-N 3.25Å; S116-G119 PolarHBondContact OG-N 3.42Å; G119-L122 PolarHBondContact O-N 2.8Å; G119-Q123 WeakPolarHBondContact O-CB 3.05Å; G119-Q123 PolarHBondContact O-N 3.09Å
120L84.8Confident77.2Confident37 Ų3747.8 Ų47.819%0.19430%0.3CS..Hα-helixtrans-66.2-39.9174.1-68.3171.4000112.3L69 K70 S116 V117 M118 K124L69-L120 HydrophobicContact CD2-CB 4.03Å; L69-L120 HydrophobicContact CG-CB 4.03Å; K70-L120 HydrophobicContact CG-CD1 3.6Å; S116-L120 VanDerWaalsContact O-CG 3.28Å; S116-L120 WeakPolarHBondContact O-CG 3.48Å; S116-L120 PolarHBondContact O-N 3.02Å; V117-L120 PolarHBondContact O-N 3.22Å; M118-L120 PolarHBondContact O-N 3.46Å; L120-K124 VanDerWaalsContact O-CB 3.25Å; L120-K124 WeakPolarHBondContact O-CB 3.36Å; L120-K124 PolarHBondContact O-N 3Å
121L87Confident79.3Confident1 Ų146.6 Ų46.61%0.00529%0.292CS..Hα-helixtrans-65.8-45.5174.5-69167.6000111.3L59 I61 L69 I76 I79 L100 V117 M118 Q123 K124 L125L59-L121 HydrophobicContact CD1-CD1 4.25Å; I61-L121 HydrophobicContact CD1-CD1 3.54Å; I61-L121 HydrophobicContact CD1-CD2 3.91Å; I61-L121 HydrophobicContact CD1-CG 4.16Å; L69-L121 HydrophobicContact CD1-CD2 4.06Å; L69-L121 HydrophobicContact CD2-CD2 3.93Å; L69-L121 HydrophobicContact CD2-CG 4.08Å; I76-L121 HydrophobicContact CD1-CD2 3.56Å; I79-L121 HydrophobicContact CD1-CD2 3.66Å; L100-L121 HydrophobicContact CD2-CB 3.79Å; L100-L121 HydrophobicContact CD2-CD1 4.38Å; V117-L121 HydrophobicContact CG1-CD1 4.11Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.13Å; V117-L121 PolarHBondContact O-N 3.3Å; M118-L121 PolarHBondContact O-N 2.73Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.35Å; L121-K124 PolarHBondContact O-N 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.31Å
122L88.1Confident81.3Confident1 Ų141.3 Ų41.31%0.00526%0.256CS..Hα-helixtrans-59.2-47.2178.1-170.772.1000110.9M18 L100 M118 G119 L125 R126 A132 Y134M18-L122 HydrophobicContact CE-CD2 3.71Å; L100-L122 HydrophobicContact CD1-CD1 3.92Å; M118-L122 WeakPolarHBondContact O-CB 3.18Å; M118-L122 PolarHBondContact O-N 3.05Å; G119-L122 PolarHBondContact O-N 2.8Å; L122-L125 PolarHBondContact O-N 2.95Å; L122-R126 VanDerWaalsContact O-CG 3.3Å; L122-R126 WeakPolarHBondContact O-CG 3.18Å; L122-R126 PolarHBondContact O-N 3.34Å; L122-R126 VanDerWaalsContact O-N 3.1Å; L122-A132 VanDerWaalsContact CD1-C 3.5Å; L122-A132 HydrophobicContact CD1-CB 3.79Å; L122-A132 WeakPolarHBondContact CD1-O 3.12Å; L122-Y134 HydrophobicContact CD2-CD1 4.18Å
123Q85.6Confident83.3Confident73 Ų7341.7 Ų41.734%0.34125%0.246SC..Hα-helixtrans-60.9-47.7175.6-172.862.648.300110.8G119 L121 L125 R126 D127G119-Q123 WeakPolarHBondContact O-CB 3.05Å; G119-Q123 PolarHBondContact O-N 3.09Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-Q123 PolarHBondContact O-N 3.35Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; Q123-L125 PolarHBondContact O-N 3.33Å; Q123-R126 PolarHBondContact O-N 3.37Å; Q123-R126 VanDerWaalsContact O-N 3.16Å; Q123-D127 PolarHBondContact NE2-OD1 3.3Å; Q123-D127 PolarHBondContact O-N 3.24Å
124K86.9Confident85Confident36 Ų3642 Ų4216%0.15725%0.247CC..Hα-helixtrans-61.8-40.4-178.4179.761.8-163.5147.10112.6I76 L120 L121 D127 D128I76-K124 HydrophobicContact CD1-CB 4.31Å; I76-K124 HydrophobicContact CD1-CG 3.9Å; I76-K124 HydrophobicContact CG1-CG 4.07Å; L120-K124 VanDerWaalsContact O-CB 3.25Å; L120-K124 WeakPolarHBondContact O-CB 3.36Å; L120-K124 PolarHBondContact O-N 3Å; L121-K124 PolarHBondContact O-N 3.31Å; K124-D127 PolarHBondContact O-N 3.18Å; K124-D128 WeakPolarHBondContact CE-OD1 3.41Å; K124-D128 VanDerWaalsContact CE-OD2 3.25Å; K124-D128 WeakPolarHBondContact CE-OD2 3.44Å; K124-D128 IonicContact NZ-OD1 2.66Å; K124-D128 PolarHBondContact NZ-OD1 3.33Å; K124-D128 IonicContact NZ-OD2 3.43Å; K124-D128 PolarHBondContact NZ-OD2 2.9Å; K124-D128 WeakPolarHBondContact O-CB 3.48Å; K124-D128 PolarHBondContact O-N 3.32Å
125L90.5Very high86.7Confident1 Ų139.4 Ų39.41%0.00522%0.219CC..Hα-helixtrans-64-41.5175.9-77.5165.8000111.7L40 I76 F89 V98 L100 L121 L122 Q123 D128 G129 C130 A132L40-L125 HydrophobicContact CD1-CD1 4Å; I76-L125 HydrophobicContact CB-CD2 4.36Å; I76-L125 HydrophobicContact CG1-CD2 3.95Å; I76-L125 HydrophobicContact CG1-CG 4.15Å; I76-L125 HydrophobicContact CG2-CD2 4.21Å; F89-L125 HydrophobicContact CE2-CD2 3.92Å; F89-L125 HydrophobicContact CZ-CD2 3.7Å; V98-L125 HydrophobicContact CG1-CD1 4.07Å; L100-L125 HydrophobicContact CD1-CD1 3.69Å; L100-L125 HydrophobicContact CD2-CD1 3.81Å; L100-L125 HydrophobicContact CG-CD1 4.15Å; L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.31Å; L122-L125 PolarHBondContact O-N 2.95Å; Q123-L125 VanDerWaalsContact C-N 3.33Å; Q123-L125 PolarHBondContact O-N 3.33Å; L125-D128 CarbonylContact O-C 3.54Å; L125-D128 PolarHBondContact O-N 2.83Å; L125-G129 PolarHBondContact O-N 3.45Å; L125-C130 HydrophobicContact CB-CB 4.13Å; L125-C130 HydrophobicContact CD2-CB 4.39Å; L125-C130 WeakPolarHBondContact O-CB 3.47Å; L125-C130 PolarHBondContact O-N 3.14Å; L125-C130 PolarHBondContact O-SG 3.2Å; L125-A132 HydrophobicContact CB-CB 3.74Å; L125-A132 HydrophobicContact CD1-CB 4.21Å
126R89.9Confident88.1Confident46 Ų4638.7 Ų38.717%0.17421%0.206CC..Hα-helixtrans-66-42.6175.7-70.6172.6-178.6-172.7-0.2111.8S19 L122 Q123 D128 G129 A132S19-R126 PolarHBondContact O-NH2 3.22Å; L122-R126 VanDerWaalsContact O-CG 3.3Å; L122-R126 WeakPolarHBondContact O-CG 3.18Å; L122-R126 PolarHBondContact O-N 3.34Å; L122-R126 VanDerWaalsContact O-N 3.1Å; Q123-R126 PolarHBondContact O-N 3.37Å; Q123-R126 VanDerWaalsContact O-N 3.16Å; R126-D128 PolarHBondContact O-N 3.44Å; R126-G129 WeakPolarHBondContact O-CA 3.12Å; R126-G129 PolarHBondContact O-N 2.96Å; R126-A132 HydrophobicContact CG-CB 4.24Å; R126-A132 PolarHBondContact NE-O 3.27Å; R126-A132 VanDerWaalsContact NE-O 3.08Å; R126-A132 PolarHBondContact NH2-O 3.45Å
127D88.4Confident88.5Confident106 Ų10637.5 Ų37.557%0.56720%0.2SC*.Hα-helixtrans-60.4-33.6174.6-64.8-14.6000111.6Q123 K124 G129Q123-D127 PolarHBondContact NE2-OD1 3.3Å; Q123-D127 PolarHBondContact O-N 3.24Å; K124-D127 PolarHBondContact O-N 3.18Å; D127-G129 PolarHBondContact O-N 2.92Å
128D88.4Confident89.1Confident65 Ų6534.7 Ų34.735%0.34818%0.183SC..THydrogen-bonded Turntrans-81.72.4174.9-72-11.5000113.3K124 L125 R126K124-D128 WeakPolarHBondContact CE-OD1 3.41Å; K124-D128 VanDerWaalsContact CE-OD2 3.25Å; K124-D128 WeakPolarHBondContact CE-OD2 3.44Å; K124-D128 IonicContact NZ-OD1 2.66Å; K124-D128 PolarHBondContact NZ-OD1 3.33Å; K124-D128 IonicContact NZ-OD2 3.43Å; K124-D128 PolarHBondContact NZ-OD2 2.9Å; K124-D128 WeakPolarHBondContact O-CB 3.48Å; K124-D128 PolarHBondContact O-N 3.32Å; L125-D128 CarbonylContact O-C 3.54Å; L125-D128 PolarHBondContact O-N 2.83Å; R126-D128 PolarHBondContact O-N 3.44Å
129G89.8Confident89.6Confident53 Ų5334.3 Ų34.355%0.54618%0.18SC..THydrogen-bonded Turntrans89.214.3174.400000115.7L125 R126 D127L125-G129 PolarHBondContact O-N 3.45Å; R126-G129 WeakPolarHBondContact O-CA 3.12Å; R126-G129 PolarHBondContact O-N 2.96Å; D127-G129 PolarHBondContact O-N 2.92Å
130C92.9Very high90.1Very high10 Ų1037.1 Ų37.17%0.06820%0.195CC..  trans-83.5146.3-179.8-490000111.6C93 V98 L125 A132C93-C130 VanDerWaalsContact O-CB 3.31Å; C93-C130 WeakPolarHBondContact O-CB 3.39Å; C93-C130 PolarHBondContact O-SG 3.35Å; C93-C130 VanDerWaalsContact O-SG 3.38Å; V98-C130 HydrophobicContact CG2-CB 4.15Å; L125-C130 HydrophobicContact CB-CB 4.13Å; L125-C130 HydrophobicContact CD2-CB 4.39Å; L125-C130 WeakPolarHBondContact O-CB 3.47Å; L125-C130 PolarHBondContact O-N 3.14Å; L125-C130 PolarHBondContact O-SG 3.2Å; C130-A132 VanDerWaalsContact C-N 3.3Å; C130-A132 PolarHBondContact O-N 3.18Å
131K93.8Very high90.4Very high128 Ų12838.6 Ų38.656%0.55720%0.2SC*.EExtended strand (participates in β ladder)trans-80.577.4170.5-66.8177-174.6169.80109.8V98 F133V98-K131 PolarHBondContact N-O 3.1Å; K131-F133 HydrophobicContact CB-CE2 4.42Å
132A93.5Very high90.8Very high3 Ų338.6 Ų38.63%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-101.3133-170.100000114.2V98 L100 L122 L125 R126 C130V98-A132 HydrophobicContact CB-CB 4.28Å; V98-A132 CarbonylContact O-C 3.35Å; V98-A132 VanDerWaalsContact O-CA 3.26Å; V98-A132 WeakPolarHBondContact O-CA 3.39Å; L100-A132 HydrophobicContact CD1-CB 4.24Å; L122-A132 VanDerWaalsContact CD1-C 3.5Å; L122-A132 HydrophobicContact CD1-CB 3.79Å; L122-A132 WeakPolarHBondContact CD1-O 3.12Å; L125-A132 HydrophobicContact CB-CB 3.74Å; L125-A132 HydrophobicContact CD1-CB 4.21Å; R126-A132 HydrophobicContact CG-CB 4.24Å; R126-A132 PolarHBondContact NE-O 3.27Å; R126-A132 VanDerWaalsContact NE-O 3.08Å; R126-A132 PolarHBondContact NH2-O 3.45Å; C130-A132 VanDerWaalsContact C-N 3.3Å; C130-A132 PolarHBondContact O-N 3.18Å
133F93.4Very high91.1Very high47 Ų4741.6 Ų41.621%0.20621%0.214CC..EExtended strand (participates in β ladder)trans-132.5164.4177.7-57.3-97.1000109.9S19 K21 V97 V98 L99 L100 K131S19-F133 WeakPolarHBondContact O-CD1 3.13Å; K21-F133 HydrophobicContact CD-CD1 4.46Å; K21-F133 HydrophobicContact CG-CB 3.86Å; K21-F133 HydrophobicContact CG-CD1 4.17Å; K21-F133 HydrophobicContact CG-CG 4.03Å; V97-F133 HydrophobicContact CG1-CD2 3.77Å; V97-F133 HydrophobicContact CG1-CE2 4.04Å; V98-F133 PolarHBondContact O-N 3.48Å; L99-F133 WeakPolarHBondContact CA-O 3.34Å; L99-F133 HydrophobicContact CD1-CB 3.84Å; L100-F133 WeakPolarHBondContact CD1-O 3.44Å; L100-F133 PolarHBondContact N-O 3.43Å; K131-F133 HydrophobicContact CB-CE2 4.42Å
134Y91.7Very high91.3Very high20 Ų2042.9 Ų42.98%0.07823%0.231CC..EExtended strand (participates in β ladder)trans-114.5154.3168.373.9-88.1000111.3S20 K21 L100 L113 L122 E136S20-Y134 CarbonylContact C-O 3.55Å; S20-Y134 WeakPolarHBondContact CA-O 3.29Å; S20-Y134 VanDerWaalsContact CB-CZ 3.41Å; K21-Y134 PolarHBondContact N-O 3.5Å; L100-Y134 CarbonylContact O-C 3.43Å; L100-Y134 WeakPolarHBondContact O-CA 3.08Å; L113-Y134 HydrophobicContact CD2-CD1 4.31Å; L113-Y134 HydrophobicContact CD2-CE1 4.03Å; L122-Y134 HydrophobicContact CD2-CD1 4.18Å; Y134-E136 HydrophobicContact CE2-CG 4.35Å
135L92.6Very high91.7Very high1 Ų145.1 Ų45.11%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-85.4123.9178.1-175.862.7000111.1K21 V23 L26 I53 L99 L100 Y101 G138 F142K21-L135 WeakPolarHBondContact O-CA 3.27Å; V23-L135 HydrophobicContact CG1-CD1 3.95Å; V23-L135 HydrophobicContact CG1-CG 4.25Å; L26-L135 HydrophobicContact CB-CD1 4.05Å; L26-L135 HydrophobicContact CD2-CD1 3.87Å; L26-L135 HydrophobicContact CD2-CD2 3.74Å; L26-L135 HydrophobicContact CD2-CG 4.44Å; I53-L135 HydrophobicContact CD1-CD2 4.02Å; L99-L135 HydrophobicContact CD1-CB 4.47Å; L99-L135 HydrophobicContact CD2-CB 4.33Å; L99-L135 HydrophobicContact CD2-CD1 4.24Å; L99-L135 HydrophobicContact CG-CB 4.38Å; L100-L135 PolarHBondContact O-N 2.89Å; Y101-L135 HydrophobicContact CG-CD2 4.35Å; L135-G138 PolarHBondContact O-N 3.25Å; L135-F142 HydrophobicContact CD2-CB 4.08Å; L135-F142 HydrophobicContact CD2-CD2 4.46Å; L135-F142 HydrophobicContact CD2-CG 4.39Å
136E90.4Very high91.9Very high74 Ų7447.2 Ų47.235%0.34625%0.25SC..THydrogen-bonded Turntrans-69.7128.7178.4-64.5-179.5175.200111.9S20 K21 V23 Y134 G138S20-E136 VanDerWaalsContact CB-OE1 3.22Å; S20-E136 WeakPolarHBondContact CB-OE1 3.45Å; S20-E136 PolarHBondContact OG-OE1 2.71Å; K21-E136 WeakPolarHBondContact O-CG 3.45Å; K21-E136 PolarHBondContact O-N 3.23Å; V23-E136 WeakPolarHBondContact CG1-O 3.42Å; Y134-E136 HydrophobicContact CE2-CG 4.35Å; E136-G138 PolarHBondContact O-N 2.98Å
137G86Confident91.9Very high11 Ų1148.6 Ų48.611%0.11327%0.265CS..THydrogen-bonded Turntrans80.6-2-179.300000114T105 K141T105-G137 WeakPolarHBondContact O-CA 3.5Å; T105-G137 PolarHBondContact O-N 2.83Å; G137-K141 WeakPolarHBondContact O-CB 3.43Å; G137-K141 PolarHBondContact O-N 3.09Å
138G91.6Very high92.1Very high0 Ų049 Ų490%026%0.264CS..Hα-helixtrans61.9-160.7174.700000113.9D102 L135 E136 N140 F142D102-G138 CarbonylContact O-C 3.55Å; D102-G138 WeakPolarHBondContact O-CA 3.46Å; L135-G138 PolarHBondContact O-N 3.25Å; E136-G138 PolarHBondContact O-N 2.98Å; G138-N140 PolarHBondContact O-N 3.21Å; G138-F142 PolarHBondContact O-N 3.33Å
139F94.4Very high92.3Very high4 Ų447.2 Ų47.22%0.01825%0.253CS..Hα-helixtrans-62.1-41.3-179.2-177.8-101.7000112.4R43 S51 I53 Y101 D102 E103 K141 F142 Q143R43-F139 VanDerWaalsContact CZ-CG 3.41Å; R43-F139 VanDerWaalsContact NH1-CE1 3.33Å; R43-F139 VanDerWaalsContact NH1-CG 3.3Å; S51-F139 WeakPolarHBondContact OG-CZ 3.48Å; I53-F139 HydrophobicContact CG1-CD2 3.88Å; I53-F139 HydrophobicContact CG1-CE2 4.01Å; Y101-F139 HydrophobicContact CD2-CB 3.87Å; Y101-F139 HydrophobicContact CD2-CD2 4.44Å; Y101-F139 HydrophobicContact CE2-CB 3.98Å; Y101-F139 AromaticContact CE2-CD2 3.82Å; Y101-F139 HydrophobicContact CE2-CD2 3.82Å; Y101-F139 HydrophobicContact CE2-CG 4.28Å; D102-F139 WeakPolarHBondContact O-CB 3.48Å; D102-F139 PolarHBondContact O-N 3.08Å; E103-F139 PolarHBondContact O-N 3.08Å; F139-K141 PolarHBondContact O-N 3.43Å; F139-F142 PolarHBondContact O-N 2.83Å; F139-Q143 HydrophobicContact CD1-CB 4.34Å; F139-Q143 HydrophobicContact CE1-CB 3.95Å; F139-Q143 VanDerWaalsContact CE1-CD 3.47Å; F139-Q143 HydrophobicContact CE1-CG 4.19Å; F139-Q143 HydrophobicContact CE2-CB 4.45Å; F139-Q143 HydrophobicContact CZ-CB 4Å; F139-Q143 HydrophobicContact CZ-CG 4.17Å; F139-Q143 WeakPolarHBondContact O-CB 3.34Å; F139-Q143 PolarHBondContact O-N 3.34Å
140N91.6Very high92.4Very high63 Ų6345.4 Ų45.434%0.33723%0.231SC..Hα-helixtrans-64-40.1-175.5-73.8-15.3000112.8E103 G138 S144E103-N140 WeakPolarHBondContact O-CB 3.39Å; E103-N140 PolarHBondContact O-N 2.94Å; E103-N140 PolarHBondContact O-ND2 2.88Å; E103-N140 PolarHBondContact OE1-ND2 2.67Å; E103-N140 VanDerWaalsContact OE1-ND2 3.07Å; E103-N140 PolarHBondContact OE1-OD1 3.27Å; G138-N140 PolarHBondContact O-N 3.21Å; N140-S144 VanDerWaalsContact O-CB 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.44Å; N140-S144 PolarHBondContact O-N 3.4Å; N140-S144 VanDerWaalsContact O-N 3.15Å
141K92.3Very high92.2Very high68 Ų6849.1 Ų49.130%0.29625%0.248SC..Hα-helixtrans-65.4-47.2174.3-170.1-174.1174.6-1590110.3V23 E24 G137 F139 S144 E145V23-K141 HydrophobicContact CG1-CB 4.18Å; V23-K141 HydrophobicContact CG1-CD 3.94Å; V23-K141 HydrophobicContact CG1-CG 4.04Å; V23-K141 HydrophobicContact CG2-CD 3.92Å; V23-K141 HydrophobicContact CG2-CG 4.21Å; E24-K141 IonicContact OE1-NZ 3.38Å; E24-K141 PolarHBondContact OE1-NZ 3.39Å; G137-K141 WeakPolarHBondContact O-CB 3.43Å; G137-K141 PolarHBondContact O-N 3.09Å; F139-K141 PolarHBondContact O-N 3.43Å; K141-S144 PolarHBondContact O-N 3.12Å; K141-E145 WeakPolarHBondContact CE-OE1 3.38Å; K141-E145 WeakPolarHBondContact CG-OE1 3.48Å; K141-E145 IonicContact NZ-OE1 3.08Å; K141-E145 PolarHBondContact O-N 3.39Å
142F94.8Very high91.7Very high0 Ų046.4 Ų46.40%024%0.242CC..Hα-helixtrans-61.9-49.8-178.7-170.9-94.2000112.3V23 L26 L30 I53 L135 G138 F139 S144 E145 Y146 H149V23-F142 HydrophobicContact CB-CD2 3.92Å; V23-F142 HydrophobicContact CG1-CB 3.97Å; V23-F142 HydrophobicContact CG1-CD2 4.1Å; L26-F142 HydrophobicContact CB-CD2 4.34Å; L26-F142 HydrophobicContact CB-CE2 3.9Å; L26-F142 HydrophobicContact CD2-CD2 3.68Å; L26-F142 HydrophobicContact CD2-CE2 3.54Å; L26-F142 HydrophobicContact CD2-CG 4.29Å; L26-F142 HydrophobicContact CD2-CZ 4.02Å; L26-F142 HydrophobicContact CG-CD2 4.15Å; L26-F142 HydrophobicContact CG-CE2 3.56Å; L26-F142 HydrophobicContact CG-CZ 4.05Å; L30-F142 HydrophobicContact CD1-CE1 4.4Å; L30-F142 HydrophobicContact CD1-CE2 4.42Å; L30-F142 HydrophobicContact CD1-CZ 3.64Å; I53-F142 HydrophobicContact CD1-CB 4.4Å; I53-F142 HydrophobicContact CD1-CD1 3.57Å; I53-F142 HydrophobicContact CD1-CE1 3.98Å; I53-F142 HydrophobicContact CD1-CG 3.92Å; I53-F142 HydrophobicContact CG1-CD1 3.76Å; I53-F142 HydrophobicContact CG1-CE1 4.05Å; I53-F142 HydrophobicContact CG2-CD1 4.45Å; I53-F142 HydrophobicContact CG2-CE1 3.87Å; I53-F142 HydrophobicContact CG2-CZ 4.42Å; L135-F142 HydrophobicContact CD2-CB 4.08Å; L135-F142 HydrophobicContact CD2-CD2 4.46Å; L135-F142 HydrophobicContact CD2-CG 4.39Å; G138-F142 PolarHBondContact O-N 3.33Å; F139-F142 PolarHBondContact O-N 2.83Å; F142-S144 VanDerWaalsContact C-N 3.28Å; F142-S144 PolarHBondContact O-N 2.66Å; F142-E145 PolarHBondContact O-N 3.39Å; F142-Y146 AromaticContact CD2-CD2 3.91Å; F142-Y146 HydrophobicContact CD2-CD2 3.91Å; F142-Y146 AromaticContact CE2-CD2 3.78Å; F142-Y146 HydrophobicContact CE2-CD2 3.78Å; F142-Y146 HydrophobicContact CE2-CG 4.28Å; F142-Y146 HydrophobicContact CZ-CD2 4.39Å; F142-Y146 HydrophobicContact CZ-CG 4.47Å; F142-Y146 WeakPolarHBondContact O-CA 3.19Å; F142-Y146 PolarHBondContact O-N 2.97Å; F142-H149 HydrophobicContact CE1-CB 3.9Å; F142-H149 HydrophobicContact CZ-CB 4.01Å
143Q93.9Very high90.2Very high65 Ų6552 Ų5230%0.30427%0.271SS..Hα-helixtrans-61.4-35.6178.4-176.2-176.354.700112.5S51 F139 E145 P147S51-Q143 PolarHBondContact OG-NE2 3.38Å; F139-Q143 HydrophobicContact CD1-CB 4.34Å; F139-Q143 HydrophobicContact CE1-CB 3.95Å; F139-Q143 VanDerWaalsContact CE1-CD 3.47Å; F139-Q143 HydrophobicContact CE1-CG 4.19Å; F139-Q143 HydrophobicContact CE2-CB 4.45Å; F139-Q143 HydrophobicContact CZ-CB 4Å; F139-Q143 HydrophobicContact CZ-CG 4.17Å; F139-Q143 WeakPolarHBondContact O-CB 3.34Å; F139-Q143 PolarHBondContact O-N 3.34Å; Q143-E145 VanDerWaalsContact C-N 3.33Å; Q143-P147 WeakPolarHBondContact O-CA 3.47Å; Q143-P147 WeakPolarHBondContact O-CB 3.18Å; Q143-P147 WeakPolarHBondContact O-CD 3.26Å
144S90.9Very high88.2Confident100 Ų10056.6 Ų56.670%0.69930%0.297SS*.Hα-helixtrans-69.1-31.1178.5-178.30000113.1N140 K141 F142N140-S144 VanDerWaalsContact O-CB 3.29Å; N140-S144 WeakPolarHBondContact O-CB 3.44Å; N140-S144 PolarHBondContact O-N 3.4Å; N140-S144 VanDerWaalsContact O-N 3.15Å; K141-S144 PolarHBondContact O-N 3.12Å; F142-S144 VanDerWaalsContact C-N 3.28Å; F142-S144 PolarHBondContact O-N 2.66Å
145E94.6Very high85.6Confident83 Ų8363.2 Ų63.239%0.38833%0.334SS..Hα-helixtrans-97.5-34.3-175.6-68.4-179.7-154.100112.3V23 K141 F142 Q143V23-E145 VanDerWaalsContact CG2-OE2 3.23Å; V23-E145 WeakPolarHBondContact CG2-OE2 3.33Å; K141-E145 WeakPolarHBondContact CE-OE1 3.38Å; K141-E145 WeakPolarHBondContact CG-OE1 3.48Å; K141-E145 IonicContact NZ-OE1 3.08Å; K141-E145 PolarHBondContact O-N 3.39Å; F142-E145 PolarHBondContact O-N 3.39Å; Q143-E145 VanDerWaalsContact C-N 3.33Å
146Y94.2Very high82.7Confident45 Ų4569.4 Ų69.418%0.17638%0.376CS..  trans-134.461.3-174.2-50.7-71.2000111.9V23 Q27 F142 E148 H149V23-Y146 HydrophobicContact CB-CD2 4.43Å; V23-Y146 HydrophobicContact CB-CE2 4.05Å; V23-Y146 HydrophobicContact CG2-CE2 4.03Å; Q27-Y146 HydrophobicContact CB-CD1 4.01Å; Q27-Y146 HydrophobicContact CB-CD2 4.28Å; Q27-Y146 HydrophobicContact CB-CE1 3.84Å; Q27-Y146 HydrophobicContact CB-CE2 4.14Å; Q27-Y146 HydrophobicContact CB-CG 4.22Å; Q27-Y146 HydrophobicContact CG-CD1 3.64Å; Q27-Y146 HydrophobicContact CG-CE1 3.57Å; Q27-Y146 HydrophobicContact CG-CG 4.26Å; F142-Y146 AromaticContact CD2-CD2 3.91Å; F142-Y146 HydrophobicContact CD2-CD2 3.91Å; F142-Y146 AromaticContact CE2-CD2 3.78Å; F142-Y146 HydrophobicContact CE2-CD2 3.78Å; F142-Y146 HydrophobicContact CE2-CG 4.28Å; F142-Y146 HydrophobicContact CZ-CD2 4.39Å; F142-Y146 HydrophobicContact CZ-CG 4.47Å; F142-Y146 WeakPolarHBondContact O-CA 3.19Å; F142-Y146 PolarHBondContact O-N 2.97Å; Y146-E148 VanDerWaalsContact C-OE2 3.3Å; Y146-E148 WeakPolarHBondContact CA-OE2 3.23Å; Y146-E148 PolarHBondContact O-N 2.88Å; Y146-H149 PolarHBondContact O-N 3.33Å
147P91.6Very high80Confident75 Ų7571.4 Ų71.449%0.48740%0.398SS..G310 helixtrans-63.9-23.2-177.826.8-35.4000113.7Q143 H149 C150Q143-P147 WeakPolarHBondContact O-CA 3.47Å; Q143-P147 WeakPolarHBondContact O-CB 3.18Å; Q143-P147 WeakPolarHBondContact O-CD 3.26Å; P147-H149 PolarHBondContact O-N 2.82Å; P147-C150 WeakPolarHBondContact O-CB 3.3Å; P147-C150 PolarHBondContact O-N 3.24Å; P147-C150 VanDerWaalsContact O-N 3.14Å
148E91.8Very high77.3Confident115 Ų11576.4 Ų76.454%0.53743%0.43SS..G310 helixtrans-66.8-22.4-179.370.3-74.7176.100114Q27 Y146 C150Q27-E148 PolarHBondContact NE2-OE1 3.11Å; Y146-E148 VanDerWaalsContact C-OE2 3.3Å; Y146-E148 WeakPolarHBondContact CA-OE2 3.23Å; Y146-E148 PolarHBondContact O-N 2.88Å; E148-C150 VanDerWaalsContact C-N 3.34Å
149H92.2Very high74.6Confident27 Ų2782.2 Ų82.213%0.12547%0.468CS..G310 helixtrans-95.310.3175.8-65.9-80.4000112.9Q27 L30 E54 F142 Y146 P147Q27-H149 VanDerWaalsContact CD-CD2 3.45Å; Q27-H149 VanDerWaalsContact CD-NE2 3.29Å; Q27-H149 PolarHBondContact NE2-CD2 2.69Å; Q27-H149 VanDerWaalsContact NE2-CD2 3.32Å; Q27-H149 PolarHBondContact NE2-NE2 2.9Å; Q27-H149 PolarHBondContact OE1-CD2 3.5Å; Q27-H149 PolarHBondContact OE1-NE2 3.3Å; Q27-H149 VanDerWaalsContact OE1-NE2 3.09Å; L30-H149 HydrophobicContact CD1-CB 3.94Å; E54-H149 PolarHBondContact N-O 3.32Å; F142-H149 HydrophobicContact CE1-CB 3.9Å; F142-H149 HydrophobicContact CZ-CB 4.01Å; Y146-H149 PolarHBondContact O-N 3.33Å; P147-H149 PolarHBondContact O-N 2.82Å
150C92.4Very high71.6Confident14 Ų1487.3 Ų87.310%0.09550%0.504CS..EExtended strand (participates in β ladder)trans-105.8122.8176.6-60.20000110.6H52 P147 E148 T152H52-C150 CarbonylContact O-C 3.58Å; H52-C150 VanDerWaalsContact O-CA 3.25Å; H52-C150 WeakPolarHBondContact O-CA 3.39Å; P147-C150 WeakPolarHBondContact O-CB 3.3Å; P147-C150 PolarHBondContact O-N 3.24Å; P147-C150 VanDerWaalsContact O-N 3.14Å; E148-C150 VanDerWaalsContact C-N 3.34Å; C150-T152 PolarHBondContact O-N 3.05Å
151E89.2Confident68.7Low89 Ų8990 Ų9042%0.41653%0.528SS..EExtended strand (participates in β ladder)trans-68.7130.4164.4-68-179.8-142.300108S51 H52 E54 S55S51-E151 CarbonylContact C-O 3.57Å; S51-E151 WeakPolarHBondContact CA-O 3.46Å; S51-E151 WeakPolarHBondContact CB-O 3.48Å; S51-E151 PolarHBondContact OG-O 3.34Å; H52-E151 IonicContact CE1-OE2 3.38Å; H52-E151 PolarHBondContact N-O 2.94Å; H52-E151 IonicContact NE2-OE2 3.11Å; H52-E151 PolarHBondContact NE2-OE2 3.1Å; H52-E151 PolarHBondContact O-N 2.71Å; E54-E151 WeakPolarHBondContact CA-OE1 3.49Å; E54-E151 HydrophobicContact CB-CG 4.36Å; E54-E151 HydrophobicContact CG-CG 4.38Å; E54-E151 WeakPolarHBondContact CG-OE1 3.48Å; S55-E151 PolarHBondContact N-OE1 2.97Å
152T81.8Confident65.7Low71 Ų7192.3 Ų92.344%0.43655%0.553SS.*EExtended strand (participates in β ladder)trans-128123.9175.448.80000108.2S51 C150 L154S51-T152 WeakPolarHBondContact OG-CG2 3.34Å; C150-T152 PolarHBondContact O-N 3.05Å; T152-L154 PolarHBondContact O-N 3.44Å
153N63.1Low63.1Low119 Ų11997.8 Ų97.864%0.63659%0.588SS**  trans-80.370.7173.4-85.6-45.3000109.4E49 S50E49-N153 WeakPolarHBondContact O-CB 3.49Å; E49-N153 PolarHBondContact O-ND2 3.36Å; S50-N153 PolarHBondContact O-N 2.62Å
154L51.7Low60.1Low144 Ų144100 Ų10075%0.75461%0.609SS**  trans-100.6107.5161.7-84.5139.4000106.3T152 C156T152-L154 PolarHBondContact O-N 3.44Å; L154-C156 PolarHBondContact O-N 3.03Å
155D36.1Very low56.9Low159 Ų159101.2 Ų101.285%0.8561%0.612SS**  trans-35.4129.4-172.8-73.5-44000114.9S157D155-S157 PolarHBondContact O-N 2.86Å
156C32.7Very low53.8Low131 Ų131102.6 Ų102.689%0.88563%0.631SS**  trans-44.8109.1172.9-77.80000112.2L154L154-C156 PolarHBondContact O-N 3.03Å
157S32.3Very low50.7Low116 Ų116107.1 Ų107.181%0.81166%0.662SS**  trans-126.2110.9154.3-65.50000107.2D155D155-S157 PolarHBondContact O-N 2.86Å
158C30.7Very low48Very low117 Ų117111.2 Ų111.279%0.79168%0.679SS**  trans-63165.3-163.8-31.10000114
159P35.3Very low45.1Very low121 Ų121109.3 Ų109.379%0.78669%0.69SS**  -145.7152.683.336-18.1000116.7
160S31.4Very low42.5Very low111 Ų111116 Ų11678%0.77673%0.726SS**  trans117132.4145.684.70000119
161S30.6Very low39.8Very low120 Ų120119.4 Ų119.484%0.83976%0.764SS**  trans84.9125.5170.375.50000119
162S28.7Very low37Very low116 Ų116118.5 Ų118.581%0.81178%0.778SS**  trans-60.4170-16350000119
163P39.5Very low34.4Very low115 Ų115122.7 Ų122.775%0.74780%0.797SS**  trans-93.6170.9-15439.8-36.1000114.3
164P30.7Very low33.1Very low113 Ų113128.3 Ų128.373%0.73481%0.809SS**  -145.2152.4107.135.2-18.4000117.1
165T24.9Very low32Very low125 Ų125129.6 Ų129.677%0.76782%0.816SS**  trans65.3103.4147.5490000120.2
166S29.7Very low31.7Very low112 Ų112127.4 Ų127.478%0.78381%0.812SS**  trans-56.3126.4156.727.90000112.7
167V29.4Very low31.6Very low139 Ų139126.1 Ų126.184%0.84281%0.805SS**  trans-120.8105.6155.9-178.80000107.6
168L34.7Very low31.5Very low161 Ų161127.7 Ų127.784%0.84380%0.804SS**  trans-66.1143174.5-77.4158.6000110.8
169G30.5Very low31.4Very low75 Ų75127.2 Ų127.277%0.77380%0.801SS**  trans-73.5160.6-176.800000114.9
170L37.4Very low31.4Very low168 Ų168127.4 Ų127.488%0.8881%0.806SS**  trans-99.434.2179.8-133.890.8000112.9
171G34.6Very low31.6Very low85 Ų85130.4 Ų130.488%0.87681%0.813SS**  trans-104.847.3-170.800000114.7
172G32Very low31.8Very low70 Ų70128.4 Ų128.472%0.72281%0.811SS**  trans-176.833.9-177.200000117.9R174G172-R174 PolarHBondContact O-N 2.94Å
173L27Very low32.1Very low160 Ų160132.1 Ų132.184%0.83882%0.816SS**  trans-76.7119.8168.6-72.4171.3000110
174R34.6Very low31.9Very low236 Ų236131.6 Ų131.689%0.89181%0.814SS**  trans-119.6133157.9-66.3-165.9-178.1-178.42.7108.4G172G172-R174 PolarHBondContact O-N 2.94Å
175I29.7Very low32Very low172 Ų172132.9 Ų132.988%0.88282%0.815SS**  trans-84.3118174.8-63.8171.2000107.5
176S30.2Very low32.5Very low112 Ų112138.2 Ų138.278%0.78382%0.821SS**  trans-143.6124.1163.1-51.40000108.9
177S30.6Very low32.7Very low105 Ų105141.5 Ų141.573%0.73482%0.824SS**  trans-48.7141.7175.7-75.70000115.4
178D29.7Very low33.7Very low148 Ų148139.8 Ų139.879%0.79182%0.816SS**  28.1140.9126.7-57.7-6.7000118.4
179C28.3Very low33.6Very low107 Ų107137.6 Ų137.672%0.72381%0.814SS**  cis-168.8143.3-4.4-89.50000103.9
180S35.5Very low33.6Very low126 Ų126139.5 Ų139.588%0.88182%0.815SS**  trans-174.1127.4147-80.50000110.9
181D35.8Very low33.3Very low174 Ų174135.4 Ų135.493%0.9381%0.806SS**  trans-67.4157.1-177.9-61-56.4000114.4
182G35.2Very low33.5Very low77 Ų77137.3 Ų137.379%0.79480%0.801SS**  trans167.484162.400000114.2
183E33.6Very low33.5Very low195 Ų195143.2 Ų143.291%0.91181%0.81SS**  trans-59.6142.1162.7-78.2177.6100.100111.9
184S35.7Very low33.7Very low103 Ų103140.8 Ų140.872%0.7281%0.806SS**  trans-166.2108.3147.1176.20000110.5
185D33.7Very low34.1Very low141 Ų141137.4 Ų137.475%0.75480%0.8SS**  trans-49.8144.4157.9-69.3-53.6000112.5
186R35.3Very low34.1Very low236 Ų236133.2 Ų133.289%0.89180%0.8SS**  trans171.2113.5138.7-92.4156.4-169160.55.6111.7
187E33.2Very low34.3Very low181 Ų181132.6 Ų132.685%0.84680%0.795SS**  trans-103173.9149-85.2-96123.200107.3
188P51.1Low34.6Very low104 Ų104133.2 Ų133.268%0.67580%0.797SS**  cis-132164.3-24.130-11.6000112.3
189S30.7Very low34.7Very low114 Ų114134 Ų13480%0.79780%0.8SS**  trans-164124.5148.855.30000113.2
190S32.2Very low35Very low115 Ų115134 Ų13480%0.80480%0.799SS**  trans-15.5134.9153550000118
191A31.3Very low35Very low83 Ų83134.2 Ų134.269%0.68679%0.79SS**  156.3126.5108.100000110.8
192T37.4Very low35.2Very low125 Ų125133.3 Ų133.377%0.76779%0.786SS**  trans42.1132.9140.357.10000121.5
193E33.6Very low35.9Very low193 Ų193135.8 Ų135.890%0.90278%0.776SS**  trans79.4111.6158.9-62.5178.9-17900116.9
194S31.1Very low37Very low109 Ų109129.2 Ų129.276%0.76275%0.751SS**  169.2127.7120.1-167.40000110.8
195E41.8Very low38.6Very low165 Ų165127.6 Ų127.677%0.77174%0.743SS**  trans47.384.2140.7-60.2-70.9132.100117.3S197E195-S197 VanDerWaalsContact C-N 3.28Å; E195-S197 PolarHBondContact O-N 3.27Å
196G30.7Very low40.8Very low85 Ų85124 Ų12488%0.87672%0.721SS**  trans-66.688.1161.200000110.4
197S33.1Very low43.5Very low98 Ų98113 Ų11369%0.68568%0.68SS**PPolyproline II helixtrans-51.9135.7171.1-52.10000110.1E195 L199E195-S197 VanDerWaalsContact C-N 3.28Å; E195-S197 PolarHBondContact O-N 3.27Å; S197-L199 PolarHBondContact O-N 3.48Å; S197-L199 VanDerWaalsContact O-N 3.12Å
198P36.8Very low46.4Very low118 Ų118104.8 Ų104.877%0.76664%0.642SS**PPolyproline II helixtrans-66.6118172.626.3-29.4000108
199L32.5Very low48.6Very low164 Ų164104.4 Ų104.486%0.85963%0.631SS**PPolyproline II helixtrans-50124.8156.9-70164.4000106.3S197 N201S197-L199 PolarHBondContact O-N 3.48Å; S197-L199 VanDerWaalsContact O-N 3.12Å; L199-N201 VanDerWaalsContact C-N 3.29Å; L199-N201 PolarHBondContact O-N 3.07Å
200P33.8Very low51.8Low107 Ų10799 Ų9970%0.69559%0.593SS**  trans-65.899.917724.6-29.2000106.8N202P200-N202 VanDerWaalsContact C-N 3.26Å; P200-N202 PolarHBondContact O-N 3.09Å
201N36.9Very low55Low132 Ų13294.6 Ų94.671%0.70656%0.561SS**  trans-57101.6160.5-167.710.5000104.5L199 Q203L199-N201 VanDerWaalsContact C-N 3.29Å; L199-N201 PolarHBondContact O-N 3.07Å; N201-Q203 PolarHBondContact O-N 2.91Å; N201-Q203 WeakPolarHBondContact OD1-CG 3.29Å
202N40.1Very low58.1Low155 Ų15594.2 Ų94.283%0.82955%0.552SS**  trans-71.319.6-173.2-122.717.3000112.2P200 P204P200-N202 VanDerWaalsContact C-N 3.26Å; P200-N202 PolarHBondContact O-N 3.09Å; N202-P204 WeakPolarHBondContact O-CD 3.44Å
203Q48.4Very low61Low128 Ų12892.5 Ų92.560%0.59853%0.532SS*.SBendtrans-70.5116.5164.9-69.2-83.8-28.500107.3N201 A205N201-Q203 PolarHBondContact O-N 2.91Å; N201-Q203 WeakPolarHBondContact OD1-CG 3.29Å; Q203-A205 PolarHBondContact O-N 3.32Å
204P56.8Low64.1Low58 Ų5883.3 Ų83.338%0.37749%0.489SS..PPolyproline II helixtrans-57.4133.7176.523.1-31.2000109.2N202 F206 V208N202-P204 WeakPolarHBondContact O-CD 3.44Å; P204-F206 WeakPolarHBondContact O-CD2 3.27Å; P204-F206 PolarHBondContact O-N 2.83Å; P204-V208 HydrophobicContact CB-CG2 4.45Å
205A69.2Low67.4Low68 Ų6879 Ų7956%0.56246%0.456SS*.PPolyproline II helixtrans-56.3126.5176.800000109.7Q203 P207Q203-A205 PolarHBondContact O-N 3.32Å; A205-P207 CarbonylContact O-C 3.54Å
206F80.3Confident70.1Confident67 Ų6771.1 Ų71.129%0.29442%0.419SS..SBendtrans-88.4147.3175.2-75.5-79.8000110.9P204 V208 D221 K327P204-F206 WeakPolarHBondContact O-CD2 3.27Å; P204-F206 PolarHBondContact O-N 2.83Å; F206-V208 HydrophobicContact CD1-CG2 3.88Å; F206-V208 HydrophobicContact CE1-CG2 3.67Å; F206-V208 HydrophobicContact CZ-CG2 4.38Å; F206-D221 WeakPolarHBondContact CB-OD1 3.48Å; F206-K327 HydrophobicContact CE1-CD 4.2Å; F206-K327 VanDerWaalsContact CE1-NZ 3.33Å
207P91.8Very high73.1Confident3 Ų367.1 Ų67.12%0.01938%0.378CS..SBendcis-71.2151.9-8.332.6-38.2000112A205 Y215 D221 V227 Y231 I233 L290A205-P207 CarbonylContact O-C 3.54Å; P207-Y215 HydrophobicContact CG-CD1 4.33Å; P207-Y215 HydrophobicContact CG-CG 4.47Å; P207-D221 HydrophobicContact CB-CB 4.3Å; P207-V227 HydrophobicContact CG-CG1 4.12Å; P207-Y231 HydrophobicContact CG-CD2 4.32Å; P207-I233 HydrophobicContact CG-CD1 4.19Å; P207-L290 HydrophobicContact CB-CD1 3.69Å; P207-L290 HydrophobicContact CG-CD1 4.2Å
208V95.4Very high76.1Confident10 Ų1063.6 Ų63.66%0.06135%0.353CS..EExtended strand (participates in β ladder)trans-79.1125.8-175.8179.30000110.1P204 F206 I210 Y215 L216 K326 K327P204-V208 HydrophobicContact CB-CG2 4.45Å; F206-V208 HydrophobicContact CD1-CG2 3.88Å; F206-V208 HydrophobicContact CE1-CG2 3.67Å; F206-V208 HydrophobicContact CZ-CG2 4.38Å; V208-I210 HydrophobicContact CG1-CD1 4.07Å; V208-I210 PolarHBondContact O-N 2.94Å; V208-Y215 WeakPolarHBondContact O-CA 3.37Å; V208-L216 PolarHBondContact N-O 3.15Å; V208-L216 PolarHBondContact O-N 3.32Å; V208-K326 HydrophobicContact CG1-CB 3.87Å; V208-K327 HydrophobicContact CG2-CB 4.39Å; V208-K327 HydrophobicContact CG2-CD 4.37Å
209Q97.6Very high78.7Confident95 Ų9559 Ų5944%0.44433%0.325SS..EExtended strand (participates in β ladder)trans-76.9109.7175.6-168.4-177.84300111.6L211 Y215 K326Q209-L211 VanDerWaalsContact CG-O 3.3Å; Q209-L211 WeakPolarHBondContact CG-O 3.32Å; Q209-Y215 HydrophobicContact CB-CD1 3.81Å; Q209-Y215 HydrophobicContact CB-CE1 3.67Å; Q209-Y215 HydrophobicContact CG-CD1 4.05Å; Q209-Y215 HydrophobicContact CG-CE1 3.65Å; Q209-Y215 PolarHBondContact NE2-OH 3.18Å; Q209-K326 WeakPolarHBondContact O-CD 3.41Å; Q209-K326 PolarHBondContact O-NZ 3.44Å
210I98Very high81.6Confident0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-83.7-47.1-179.9-57.8-58.4000110.9V208 L214 L216 T304 L308 F322 V323 K326V208-I210 HydrophobicContact CG1-CD1 4.07Å; V208-I210 PolarHBondContact O-N 2.94Å; I210-L214 HydrophobicContact CB-CD2 4.35Å; I210-L214 HydrophobicContact CB-CG 4.28Å; I210-L214 HydrophobicContact CG2-CD2 4.35Å; I210-L214 PolarHBondContact N-O 3.14Å; I210-L216 HydrophobicContact CD1-CB 4.11Å; I210-L216 HydrophobicContact CD1-CD2 4.16Å; I210-L216 HydrophobicContact CG1-CB 3.68Å; I210-L216 HydrophobicContact CG1-CD2 4.44Å; I210-T304 HydrophobicContact CB-CG2 4.36Å; I210-T304 HydrophobicContact CG1-CG2 4.06Å; I210-T304 HydrophobicContact CG2-CG2 3.9Å; I210-L308 HydrophobicContact CG2-CD1 4Å; I210-L308 HydrophobicContact CG2-CD2 4.24Å; I210-F322 HydrophobicContact CG2-CD1 4.26Å; I210-F322 HydrophobicContact CG2-CE1 3.9Å; I210-F322 VanDerWaalsContact O-CE1 3.32Å; I210-F322 WeakPolarHBondContact O-CE1 3.13Å; I210-V323 HydrophobicContact CD1-CG1 4.05Å; I210-V323 HydrophobicContact CG2-CG2 4.45Å; I210-K326 HydrophobicContact CD1-CB 4.27Å; I210-K326 HydrophobicContact CD1-CD 4.22Å; I210-K326 PolarHBondContact O-NZ 3.24Å
211L97.8Very high84.4Confident23 Ų2355.4 Ų55.412%0.1229%0.292CS..EExtended strand (participates in β ladder)trans-136.7167.9171.5-69.3175.9000108.8Q209 Y213 L214 Y307 L308 L312 F322Q209-L211 VanDerWaalsContact CG-O 3.3Å; Q209-L211 WeakPolarHBondContact CG-O 3.32Å; L211-Y213 PolarHBondContact O-N 3.29Å; L211-Y213 VanDerWaalsContact O-N 3.11Å; L211-L214 HydrophobicContact CB-CB 4.1Å; L211-L214 HydrophobicContact CB-CD2 4.47Å; L211-L214 HydrophobicContact CD1-CD2 4.39Å; L211-L214 PolarHBondContact N-O 2.79Å; L211-L214 PolarHBondContact O-N 3.25Å; L211-L214 VanDerWaalsContact O-O 3.13Å; L211-Y307 HydrophobicContact CD1-CE1 4.22Å; L211-L308 HydrophobicContact CD1-CD2 3.53Å; L211-L308 HydrophobicContact CG-CD2 3.98Å; L211-L312 HydrophobicContact CD1-CD1 4.21Å; L211-L312 HydrophobicContact CD2-CD1 4.36Å; L211-F322 HydrophobicContact CD2-CE1 4.27Å; L211-F322 HydrophobicContact CD2-CZ 3.91Å
212P97.8Very high87.1Confident76 Ų7649.5 Ų49.549%0.49426%0.261SS..THydrogen-bonded Turntrans-49.2125.3166.5-2836000110.3L214 R283P212-L214 PolarHBondContact O-N 2.77Å; P212-R283 PolarHBondContact O-NE 2.87Å; P212-R283 PolarHBondContact O-NH2 2.85Å
213Y98.4Very high89.7Confident89 Ų8944.4 Ų44.435%0.34924%0.241SC..THydrogen-bonded Turntrans676.1-177.3-43.5-75000116.6L211 K286 G288 I289L211-Y213 PolarHBondContact O-N 3.29Å; L211-Y213 VanDerWaalsContact O-N 3.11Å; Y213-K286 WeakPolarHBondContact CD1-O 3.45Å; Y213-K286 HydrophobicContact CE1-CB 3.94Å; Y213-K286 VanDerWaalsContact CE1-O 3.29Å; Y213-K286 WeakPolarHBondContact CE1-O 2.94Å; Y213-K286 HydrophobicContact CE2-CB 4.19Å; Y213-K286 HydrophobicContact CE2-CG 4.21Å; Y213-G288 CarbonylContact O-C 3.35Å; Y213-G288 WeakPolarHBondContact O-CA 3.38Å; Y213-I289 WeakPolarHBondContact O-CG2 3.45Å; Y213-I289 PolarHBondContact O-N 3.4Å
214L98.8Very high91.8Very high0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-117.8117.1176.2175.460.5000110.5I210 L211 P212 I279 I289 V291 Y307I210-L214 HydrophobicContact CB-CD2 4.35Å; I210-L214 HydrophobicContact CB-CG 4.28Å; I210-L214 HydrophobicContact CG2-CD2 4.35Å; I210-L214 PolarHBondContact N-O 3.14Å; L211-L214 HydrophobicContact CB-CB 4.1Å; L211-L214 HydrophobicContact CB-CD2 4.47Å; L211-L214 HydrophobicContact CD1-CD2 4.39Å; L211-L214 PolarHBondContact N-O 2.79Å; L211-L214 PolarHBondContact O-N 3.25Å; L211-L214 VanDerWaalsContact O-O 3.13Å; P212-L214 PolarHBondContact O-N 2.77Å; L214-I279 HydrophobicContact CD1-CG2 3.98Å; L214-I279 HydrophobicContact CD2-CG2 4.49Å; L214-I289 HydrophobicContact CD1-CG2 3.9Å; L214-V291 HydrophobicContact CD1-CG2 3.84Å; L214-Y307 HydrophobicContact CD2-CD1 3.64Å; L214-Y307 HydrophobicContact CD2-CE1 3.81Å
215Y98.7Very high93.6Very high18 Ų1841.4 Ų41.47%0.07123%0.226CC..EExtended strand (participates in β ladder)trans-118.5141.2-178.4-58.1-90.8000110.6P207 V208 Q209 Y231 I233 I289 L290 V291P207-Y215 HydrophobicContact CG-CD1 4.33Å; P207-Y215 HydrophobicContact CG-CG 4.47Å; V208-Y215 WeakPolarHBondContact O-CA 3.37Å; Q209-Y215 HydrophobicContact CB-CD1 3.81Å; Q209-Y215 HydrophobicContact CB-CE1 3.67Å; Q209-Y215 HydrophobicContact CG-CD1 4.05Å; Q209-Y215 HydrophobicContact CG-CE1 3.65Å; Q209-Y215 PolarHBondContact NE2-OH 3.18Å; Y215-Y231 AromaticContact CE1-CD1 3.9Å; Y215-Y231 HydrophobicContact CE1-CD1 3.9Å; Y215-Y231 AromaticContact CE1-CG 3.98Å; Y215-Y231 HydrophobicContact CE1-CG 3.98Å; Y215-I233 HydrophobicContact CD2-CD1 3.9Å; Y215-I233 HydrophobicContact CD2-CG1 3.82Å; Y215-I233 HydrophobicContact CE2-CD1 4.4Å; Y215-I233 HydrophobicContact CE2-CG1 4.06Å; Y215-I233 HydrophobicContact CG-CD1 4.07Å; Y215-I289 PolarHBondContact N-O 2.89Å; Y215-L290 WeakPolarHBondContact O-CA 3.48Å; Y215-V291 PolarHBondContact O-N 2.85Å
216L98.5Very high94.7Very high0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-114.3128.2177.1171.165.6000109.2V208 I210 S300 V301 V323 K327V208-L216 PolarHBondContact N-O 3.15Å; V208-L216 PolarHBondContact O-N 3.32Å; I210-L216 HydrophobicContact CD1-CB 4.11Å; I210-L216 HydrophobicContact CD1-CD2 4.16Å; I210-L216 HydrophobicContact CG1-CB 3.68Å; I210-L216 HydrophobicContact CG1-CD2 4.44Å; L216-S300 WeakPolarHBondContact CD1-OG 3.25Å; L216-V301 HydrophobicContact CD1-CG2 4.28Å; L216-V301 HydrophobicContact CD2-CG2 3.88Å; L216-V323 HydrophobicContact CD2-CG1 3.8Å; L216-K327 HydrophobicContact CD2-CD 3.93Å; L216-K327 HydrophobicContact CG-CD 4.45Å
217G95.4Very high95.3Very high1 Ų142.6 Ų42.61%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-152.2-169.1-177.200000115.3D221 V291 H292 G296G217-D221 WeakPolarHBondContact CA-OD2 3.25Å; G217-V291 PolarHBondContact N-O 3.33Å; G217-V291 VanDerWaalsContact N-O 3.1Å; G217-H292 WeakPolarHBondContact O-CA 3.3Å; G217-G296 WeakPolarHBondContact O-CA 3.48Å
218C94.6Very high95.4Very high24 Ų2442.5 Ų42.516%0.16223%0.226CC..  trans-116.5-178.6-179.471.40000111.5K220 D221 S222 C293 L294C218-K220 VanDerWaalsContact C-N 3.27Å; C218-K220 PolarHBondContact O-N 2.78Å; C218-D221 PolarHBondContact N-OD2 3.07Å; C218-D221 PolarHBondContact O-N 3.14Å; C218-D221 PolarHBondContact SG-OD2 2.98Å; C218-S222 PolarHBondContact O-N 3.19Å; C218-C293 CarbonylContact C-O 3.59Å; C218-L294 WeakPolarHBondContact CB-O 3.26Å
219A92.8Very high95.4Very high22 Ų2246 Ų4618%0.18225%0.25CS..Hα-helixtrans-60.6-35.8-179.800000113D221 S222 A223 L243 C293 L294A219-D221 VanDerWaalsContact C-N 3.31Å; A219-D221 PolarHBondContact O-N 3.35Å; A219-S222 WeakPolarHBondContact CA-OG 3.26Å; A219-S222 PolarHBondContact O-N 3.3Å; A219-S222 PolarHBondContact O-OG 3.4Å; A219-A223 PolarHBondContact O-N 2.81Å; A219-L243 HydrophobicContact CB-CD1 3.6Å; A219-C293 PolarHBondContact N-O 2.91Å; A219-L294 HydrophobicContact CB-CD1 4.16Å; A219-L294 PolarHBondContact N-O 3.07Å
220K92.9Very high95.2Very high177 Ų17749 Ų4977%0.7726%0.262SS*.Hα-helixtrans-63.5-39177.8-61.6-178180179.20111.3C218 A223 N224C218-K220 VanDerWaalsContact C-N 3.27Å; C218-K220 PolarHBondContact O-N 2.78Å; K220-A223 PolarHBondContact O-N 3.29Å; K220-N224 PolarHBondContact O-N 3.38Å
221D92.2Very high95.1Very high17 Ų1751.8 Ų51.89%0.09127%0.273CS..Hα-helixtrans-66.9-40.3178.5-53.8-43.3000111.3F206 P207 G217 C218 A219 A223 N224 L290F206-D221 WeakPolarHBondContact CB-OD1 3.48Å; P207-D221 HydrophobicContact CB-CB 4.3Å; G217-D221 WeakPolarHBondContact CA-OD2 3.25Å; C218-D221 PolarHBondContact N-OD2 3.07Å; C218-D221 PolarHBondContact O-N 3.14Å; C218-D221 PolarHBondContact SG-OD2 2.98Å; A219-D221 VanDerWaalsContact C-N 3.31Å; A219-D221 PolarHBondContact O-N 3.35Å; D221-A223 PolarHBondContact O-N 3.21Å; D221-N224 PolarHBondContact O-N 2.9Å; D221-L290 HydrophobicContact CB-CD2 4.24Å
222S94.7Very high95Very high8 Ų854.4 Ų54.46%0.05629%0.287CS..Hα-helixtrans-68-20.6178.257.90000114.1C218 A219 F247 H292C218-S222 PolarHBondContact O-N 3.19Å; A219-S222 WeakPolarHBondContact CA-OG 3.26Å; A219-S222 PolarHBondContact O-N 3.3Å; A219-S222 PolarHBondContact O-OG 3.4Å; S222-F247 WeakPolarHBondContact O-CE2 3.41Å; S222-H292 PolarHBondContact OG-CE1 3.14Å; S222-H292 PolarHBondContact OG-ND1 3.49Å
223A93.8Very high95Very high48 Ų4851 Ų5140%0.39727%0.265SS..THydrogen-bonded Turntrans-98.46.5179.600000113.1A219 K220 D221 M246 F247A219-A223 PolarHBondContact O-N 2.81Å; K220-A223 PolarHBondContact O-N 3.29Å; D221-A223 PolarHBondContact O-N 3.21Å; A223-M246 HydrophobicContact CB-CG 4.12Å; A223-F247 WeakPolarHBondContact O-CZ 3.29Å
224N93.5Very high94.9Very high60 Ų6050.9 Ų50.932%0.32127%0.266SS..  trans-109.296-175.5-172.5-35.5000111.5K220 D221 D226 V227 L228K220-N224 PolarHBondContact O-N 3.38Å; D221-N224 PolarHBondContact O-N 2.9Å; N224-D226 VanDerWaalsContact C-N 3.3Å; N224-D226 PolarHBondContact O-N 2.9Å; N224-D226 PolarHBondContact OD1-N 3.12Å; N224-V227 HydrophobicContact CB-CB 4.04Å; N224-V227 HydrophobicContact CB-CG2 4.2Å; N224-V227 VanDerWaalsContact CG-CG2 3.44Å; N224-V227 WeakPolarHBondContact ND2-CG2 3.45Å; N224-V227 PolarHBondContact O-N 3.33Å; N224-V227 WeakPolarHBondContact OD1-CG2 3.47Å; N224-V227 PolarHBondContact OD1-N 2.78Å; N224-L228 VanDerWaalsContact O-CG 3.26Å; N224-L228 WeakPolarHBondContact O-CG 3.46Å; N224-L228 PolarHBondContact O-N 2.87Å
225L93.8Very high94.9Very high64 Ų6451.6 Ų51.634%0.33527%0.269SS..Hα-helixtrans-57.3-38.2-180-86.1161.4000113.7L228 S229 F247 F253L225-L228 PolarHBondContact O-N 3.02Å; L225-S229 VanDerWaalsContact O-CB 3.27Å; L225-S229 WeakPolarHBondContact O-CB 3.32Å; L225-S229 PolarHBondContact O-N 2.98Å; L225-S229 PolarHBondContact O-OG 3.49Å; L225-F247 HydrophobicContact CD1-CD1 3.97Å; L225-F247 HydrophobicContact CD1-CE1 3.46Å; L225-F247 VanDerWaalsContact CD1-CE1 3.46Å; L225-F247 HydrophobicContact CD1-CZ 3.9Å; L225-F247 HydrophobicContact CD2-CD1 4.04Å; L225-F247 HydrophobicContact CD2-CD2 4.17Å; L225-F247 HydrophobicContact CD2-CE1 4.12Å; L225-F247 HydrophobicContact CD2-CE2 4.23Å; L225-F247 HydrophobicContact CD2-CG 4.09Å; L225-F247 HydrophobicContact CD2-CZ 4.23Å; L225-F247 HydrophobicContact CG-CD1 3.98Å; L225-F247 HydrophobicContact CG-CD2 4.31Å; L225-F247 HydrophobicContact CG-CE1 3.54Å; L225-F247 HydrophobicContact CG-CE2 3.89Å; L225-F247 HydrophobicContact CG-CG 4.37Å; L225-F247 HydrophobicContact CG-CZ 3.5Å; L225-F247 VanDerWaalsContact CG-CZ 3.5Å; L225-F253 HydrophobicContact CD2-CE2 3.72Å; L225-F253 HydrophobicContact CD2-CZ 3.79Å
226D93Very high94.9Very high133 Ų13350.8 Ų50.871%0.71127%0.266SS*.Hα-helixtrans-64.7-43.8-179.1-63.5-39.5000110.8N224 S229 K230N224-D226 VanDerWaalsContact C-N 3.3Å; N224-D226 PolarHBondContact O-N 2.9Å; N224-D226 PolarHBondContact OD1-N 3.12Å; D226-S229 PolarHBondContact O-N 3.38Å; D226-K230 WeakPolarHBondContact O-CB 3.04Å; D226-K230 PolarHBondContact O-N 3.46Å
227V91.8Very high94.9Very high27 Ų2750.8 Ų50.816%0.16427%0.266CS..Hα-helixtrans-66.9-45177.3168.90000111.1P207 N224 S229 K230 Y231P207-V227 HydrophobicContact CG-CG1 4.12Å; N224-V227 HydrophobicContact CB-CB 4.04Å; N224-V227 HydrophobicContact CB-CG2 4.2Å; N224-V227 VanDerWaalsContact CG-CG2 3.44Å; N224-V227 WeakPolarHBondContact ND2-CG2 3.45Å; N224-V227 PolarHBondContact O-N 3.33Å; N224-V227 WeakPolarHBondContact OD1-CG2 3.47Å; N224-V227 PolarHBondContact OD1-N 2.78Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 2.86Å; V227-K230 PolarHBondContact O-N 3.23Å; V227-Y231 HydrophobicContact CG1-CD2 3.95Å; V227-Y231 HydrophobicContact CG1-CE2 4.02Å; V227-Y231 VanDerWaalsContact O-CD2 3.22Å; V227-Y231 WeakPolarHBondContact O-CD2 3.47Å; V227-Y231 PolarHBondContact O-N 3Å
228L95.1Very high95.1Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-59.5-45.4176.8-66.4172.2000111.1N224 L225 Y231 N232 I233 I236 F247 F253 L290N224-L228 VanDerWaalsContact O-CG 3.26Å; N224-L228 WeakPolarHBondContact O-CG 3.46Å; N224-L228 PolarHBondContact O-N 2.87Å; L225-L228 PolarHBondContact O-N 3.02Å; L228-Y231 PolarHBondContact O-N 3.27Å; L228-N232 PolarHBondContact O-N 3.23Å; L228-I233 HydrophobicContact CB-CB 4.38Å; L228-I233 HydrophobicContact CD2-CB 3.89Å; L228-I233 HydrophobicContact CD2-CD1 4.05Å; L228-I233 HydrophobicContact CD2-CG2 3.63Å; L228-I233 PolarHBondContact O-N 3.14Å; L228-I236 HydrophobicContact CD1-CD1 3.94Å; L228-I236 HydrophobicContact CD2-CD1 4.14Å; L228-F247 HydrophobicContact CD1-CD2 3.77Å; L228-F247 HydrophobicContact CD1-CE2 3.74Å; L228-F253 HydrophobicContact CB-CE1 4.04Å; L228-F253 HydrophobicContact CB-CZ 4.27Å; L228-F253 HydrophobicContact CD1-CE1 3.91Å; L228-F253 HydrophobicContact CD1-CZ 4.08Å; L228-F253 HydrophobicContact CG-CE1 4.5Å; L228-L290 HydrophobicContact CD2-CD2 3.94Å
229S93.9Very high95.3Very high83 Ų8349.6 Ų49.658%0.5826%0.257SS*.Hα-helixtrans-65.4-45.9178.2-59.60000111.9L225 D226 V227 Y231 N232L225-S229 VanDerWaalsContact O-CB 3.27Å; L225-S229 WeakPolarHBondContact O-CB 3.32Å; L225-S229 PolarHBondContact O-N 2.98Å; L225-S229 PolarHBondContact O-OG 3.49Å; D226-S229 PolarHBondContact O-N 3.38Å; V227-S229 VanDerWaalsContact C-N 3.33Å; V227-S229 PolarHBondContact O-N 2.86Å; S229-Y231 PolarHBondContact O-N 3.29Å; S229-N232 PolarHBondContact O-N 3.44Å
230K94.3Very high95.2Very high158 Ų15848.7 Ų48.769%0.68725%0.25SC*.Hα-helixtrans-55.3-38.8179.2178.6178.3179.2179.30112.7D226 V227D226-K230 WeakPolarHBondContact O-CB 3.04Å; D226-K230 PolarHBondContact O-N 3.46Å; V227-K230 PolarHBondContact O-N 3.23Å
231Y95.3Very high94.9Very high60 Ų6042.4 Ų42.424%0.23523%0.227CC..THydrogen-bonded Turntrans-97.29.4-179.4-64.4-62000113.9P207 Y215 V227 L228 S229 I233P207-Y231 HydrophobicContact CG-CD2 4.32Å; Y215-Y231 AromaticContact CE1-CD1 3.9Å; Y215-Y231 HydrophobicContact CE1-CD1 3.9Å; Y215-Y231 AromaticContact CE1-CG 3.98Å; Y215-Y231 HydrophobicContact CE1-CG 3.98Å; V227-Y231 HydrophobicContact CG1-CD2 3.95Å; V227-Y231 HydrophobicContact CG1-CE2 4.02Å; V227-Y231 VanDerWaalsContact O-CD2 3.22Å; V227-Y231 WeakPolarHBondContact O-CD2 3.47Å; V227-Y231 PolarHBondContact O-N 3Å; L228-Y231 PolarHBondContact O-N 3.27Å; S229-Y231 PolarHBondContact O-N 3.29Å; Y231-I233 PolarHBondContact O-N 3.33Å
232N95.9Very high94.6Very high78 Ų7848.5 Ų48.542%0.41726%0.259SS..THydrogen-bonded Turntrans49.843-175.5-174.240.3000112.1L228 S229 K234 G288L228-N232 PolarHBondContact O-N 3.23Å; S229-N232 PolarHBondContact O-N 3.44Å; N232-K234 WeakPolarHBondContact OD1-CE 3.12Å; N232-G288 WeakPolarHBondContact O-CA 3.47Å; N232-G288 PolarHBondContact O-N 3.49Å
233I97.6Very high94.3Very high4 Ų450.2 Ų50.22%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-81.3119176.9-64.7164.1000108P207 Y215 L228 Y231 Y235 I236 F253 G288 L290P207-I233 HydrophobicContact CG-CD1 4.19Å; Y215-I233 HydrophobicContact CD2-CD1 3.9Å; Y215-I233 HydrophobicContact CD2-CG1 3.82Å; Y215-I233 HydrophobicContact CE2-CD1 4.4Å; Y215-I233 HydrophobicContact CE2-CG1 4.06Å; Y215-I233 HydrophobicContact CG-CD1 4.07Å; L228-I233 HydrophobicContact CB-CB 4.38Å; L228-I233 HydrophobicContact CD2-CB 3.89Å; L228-I233 HydrophobicContact CD2-CD1 4.05Å; L228-I233 HydrophobicContact CD2-CG2 3.63Å; L228-I233 PolarHBondContact O-N 3.14Å; Y231-I233 PolarHBondContact O-N 3.33Å; I233-Y235 WeakPolarHBondContact CG2-O 3.44Å; I233-I236 HydrophobicContact CG2-CG1 4.25Å; I233-F253 VanDerWaalsContact O-CE1 3.24Å; I233-F253 WeakPolarHBondContact O-CE1 3.44Å; I233-G288 WeakPolarHBondContact CA-O 3.41Å; I233-L290 HydrophobicContact CD1-CB 4.31Å; I233-L290 HydrophobicContact CG2-CB 3.85Å
234K97.3Very high94.2Very high87 Ų8751.8 Ų51.838%0.37827%0.274SS..EExtended strand (participates in β ladder)trans-120.8-10.2176.4-59.9-164.4175.5-158.30112.8N232 F253 K254 C287 G288N232-K234 WeakPolarHBondContact OD1-CE 3.12Å; K234-F253 CarbonylContact O-C 3.28Å; K234-F253 WeakPolarHBondContact O-CA 3.26Å; K234-K254 PolarHBondContact O-N 3.28Å; K234-C287 HydrophobicContact CB-CB 4.41Å; K234-G288 PolarHBondContact N-O 3.3Å
235Y98.6Very high94.2Very high15 Ų1550 Ų506%0.05926%0.264CS..EExtended strand (participates in β ladder)trans-115.9132.8179-78.5-114.5000109I233 K254 F278 E281 A282 K285 C287 G288 I289 L290I233-Y235 WeakPolarHBondContact CG2-O 3.44Å; Y235-K254 WeakPolarHBondContact CA-O 3.43Å; Y235-K254 HydrophobicContact CD1-CB 4.23Å; Y235-K254 HydrophobicContact CD1-CD 4.14Å; Y235-K254 HydrophobicContact CE1-CB 4.23Å; Y235-K254 HydrophobicContact CE1-CD 3.48Å; Y235-K254 VanDerWaalsContact CE1-CD 3.48Å; Y235-K254 HydrophobicContact CE1-CG 4.34Å; Y235-K254 HydrophobicContact CG-CB 4.42Å; Y235-F278 HydrophobicContact CD1-CD2 4.22Å; Y235-F278 HydrophobicContact CD1-CE1 4.06Å; Y235-F278 AromaticContact CD1-CE2 3.63Å; Y235-F278 HydrophobicContact CD1-CE2 3.63Å; Y235-F278 AromaticContact CD1-CZ 3.54Å; Y235-F278 HydrophobicContact CD1-CZ 3.54Å; Y235-F278 HydrophobicContact CE1-CD2 4.45Å; Y235-F278 AromaticContact CE1-CE2 3.96Å; Y235-F278 HydrophobicContact CE1-CE2 3.96Å; Y235-F278 HydrophobicContact CE1-CZ 4.32Å; Y235-F278 HydrophobicContact CG-CZ 4.37Å; Y235-E281 HydrophobicContact CE1-CB 4.35Å; Y235-E281 HydrophobicContact CE1-CG 4.17Å; Y235-E281 WeakPolarHBondContact CE1-OE1 3.42Å; Y235-E281 PolarHBondContact OH-OE1 3.28Å; Y235-A282 HydrophobicContact CD1-CB 3.62Å; Y235-A282 HydrophobicContact CD2-CB 3.69Å; Y235-A282 HydrophobicContact CE1-CB 4.13Å; Y235-A282 HydrophobicContact CE2-CB 4.24Å; Y235-A282 HydrophobicContact CG-CB 3.39Å; Y235-K285 WeakPolarHBondContact OH-CD 3.46Å; Y235-K285 PolarHBondContact OH-NZ 3Å; Y235-C287 HydrophobicContact CD2-CB 4.15Å; Y235-C287 HydrophobicContact CE2-CB 4.28Å; Y235-G288 PolarHBondContact N-O 3.41Å; Y235-I289 CarbonylContact O-C 3.56Å; Y235-I289 VanDerWaalsContact O-CA 3.27Å; Y235-I289 WeakPolarHBondContact O-CA 3.49Å; Y235-L290 PolarHBondContact O-N 2.89Å
236I98.6Very high94.1Very high0 Ų051.9 Ų51.90%027%0.273CS..EExtended strand (participates in β ladder)trans-131.1118.5179.6-60.7169.4000108.8L228 I233 F253 K254 Y255 K256 L290L228-I236 HydrophobicContact CD1-CD1 3.94Å; L228-I236 HydrophobicContact CD2-CD1 4.14Å; I233-I236 HydrophobicContact CG2-CG1 4.25Å; I236-F253 HydrophobicContact CD1-CD1 3.85Å; I236-F253 HydrophobicContact CD1-CE1 4.35Å; I236-F253 HydrophobicContact CD1-CG 4.44Å; I236-K254 PolarHBondContact N-O 3.22Å; I236-Y255 HydrophobicContact CB-CD1 3.72Å; I236-Y255 HydrophobicContact CB-CE1 3.58Å; I236-Y255 HydrophobicContact CB-CG 4.35Å; I236-Y255 HydrophobicContact CD1-CE1 3.76Å; I236-Y255 HydrophobicContact CD1-CE2 4.09Å; I236-Y255 VanDerWaalsContact CD1-CZ 3.44Å; I236-Y255 VanDerWaalsContact CD1-OH 3.24Å; I236-Y255 WeakPolarHBondContact CD1-OH 3.48Å; I236-Y255 HydrophobicContact CG1-CE1 4.25Å; I236-Y255 HydrophobicContact CG2-CD1 3.83Å; I236-Y255 HydrophobicContact CG2-CE1 3.52Å; I236-Y255 WeakPolarHBondContact O-CA 3.5Å; I236-K256 PolarHBondContact O-N 3.21Å; I236-L290 WeakPolarHBondContact CA-O 3.5Å; I236-L290 HydrophobicContact CG1-CB 4.5Å
237L98.8Very high94.1Very high0 Ų046.2 Ų46.20%024%0.242CC..EExtended strand (participates in β ladder)trans-101.3103.4174.2-178.259.8000109V239 K256 I258 A275 F278 I279 I289 L290 V291 H292 V303L237-V239 HydrophobicContact CG-CG2 4.19Å; L237-K256 WeakPolarHBondContact CA-O 3.33Å; L237-K256 HydrophobicContact CD1-CB 3.91Å; L237-K256 HydrophobicContact CD1-CD 4.03Å; L237-K256 HydrophobicContact CD1-CG 3.79Å; L237-K256 WeakPolarHBondContact CD1-O 3.29Å; L237-I258 HydrophobicContact CD1-CD1 3.88Å; L237-I258 HydrophobicContact CD1-CG1 4.11Å; L237-A275 HydrophobicContact CD2-CB 3.9Å; L237-F278 HydrophobicContact CB-CD1 4.11Å; L237-F278 HydrophobicContact CB-CE1 4.2Å; L237-F278 HydrophobicContact CD1-CD1 4.16Å; L237-I279 HydrophobicContact CD2-CD1 4.37Å; L237-I279 HydrophobicContact CD2-CG1 4.38Å; L237-I289 HydrophobicContact CB-CD1 4.35Å; L237-L290 PolarHBondContact N-O 2.81Å; L237-V291 HydrophobicContact CB-CG1 4.5Å; L237-V291 HydrophobicContact CB-CG2 4.28Å; L237-V291 HydrophobicContact CD2-CG1 4.1Å; L237-V291 HydrophobicContact CD2-CG2 4.18Å; L237-V291 HydrophobicContact CG-CG1 4.42Å; L237-H292 PolarHBondContact O-CD2 2.84Å; L237-H292 PolarHBondContact O-N 3.5Å; L237-V303 HydrophobicContact CD2-CG1 3.88Å
238N98.6Very high94Very high0 Ų049.3 Ų49.30%025%0.254CS..EExtended strand (participates in β ladder)trans-91.1105.5-179.5176.42.1000110T240 L243 N245 K256 Q257 I258 H292N238-T240 VanDerWaalsContact C-N 3.29Å; N238-T240 PolarHBondContact O-N 3.2Å; N238-T240 WeakPolarHBondContact OD1-CB 3.13Å; N238-T240 PolarHBondContact OD1-N 3.42Å; N238-T240 PolarHBondContact OD1-OG1 2.8Å; N238-L243 PolarHBondContact ND2-O 3.11Å; N238-N245 PolarHBondContact ND2-OD1 2.84Å; N238-K256 PolarHBondContact N-O 3.48Å; N238-Q257 HydrophobicContact CB-CB 4.49Å; N238-Q257 HydrophobicContact CB-CG 4.27Å; N238-Q257 CarbonylContact O-C 3.35Å; N238-Q257 WeakPolarHBondContact O-CA 3.34Å; N238-I258 PolarHBondContact O-N 3.16Å; N238-H292 WeakPolarHBondContact CA-NE2 3.22Å; N238-H292 WeakPolarHBondContact CB-NE2 3.3Å
239V98.6Very high93.6Very high0 Ų058 Ų580%030%0.295CS..  trans-9553.1179.9-161.20000110.4L237 I258 L268 V291 H292 R299 V303L237-V239 HydrophobicContact CG-CG2 4.19Å; V239-I258 CarbonylContact C-O 3.6Å; V239-I258 WeakPolarHBondContact CA-O 3.38Å; V239-I258 HydrophobicContact CG1-CB 4.27Å; V239-I258 HydrophobicContact CG1-CG2 4.26Å; V239-L268 HydrophobicContact CG1-CD1 3.87Å; V239-V291 HydrophobicContact CG2-CG1 4.23Å; V239-H292 PolarHBondContact N-O 2.84Å; V239-R299 HydrophobicContact CB-CB 4.21Å; V239-R299 HydrophobicContact CG1-CB 3.85Å; V239-R299 WeakPolarHBondContact O-CD 2.95Å; V239-R299 PolarHBondContact O-NH1 3.42Å; V239-V303 HydrophobicContact CG1-CG2 4.26Å; V239-V303 HydrophobicContact CG2-CG2 4.11Å
240T91.8Very high92.9Very high3 Ų359.1 Ų59.12%0.01829%0.291CS..  trans-142.5151.4176.778.50000111.7N238 L243 Q257 I258 C293N238-T240 VanDerWaalsContact C-N 3.29Å; N238-T240 PolarHBondContact O-N 3.2Å; N238-T240 WeakPolarHBondContact OD1-CB 3.13Å; N238-T240 PolarHBondContact OD1-N 3.42Å; N238-T240 PolarHBondContact OD1-OG1 2.8Å; T240-L243 HydrophobicContact CG2-CD1 3.71Å; T240-L243 HydrophobicContact CG2-CG 4.11Å; T240-L243 WeakPolarHBondContact OG1-CB 3.23Å; T240-L243 WeakPolarHBondContact OG1-CG 2.91Å; T240-L243 PolarHBondContact OG1-N 2.71Å; T240-Q257 WeakPolarHBondContact O-CG 3.35Å; T240-Q257 PolarHBondContact O-NE2 2.83Å; T240-I258 PolarHBondContact N-O 3.16Å; T240-C293 HydrophobicContact CG2-CB 4.02Å
241P86.3Confident91.9Very high45 Ų4555 Ų5529%0.29229%0.293SS..SBendtrans-81.1-27.7177.731.4-32.8000112.9P259 I260P241-P259 HydrophobicContact CB-CB 4.12Å; P241-I260 WeakPolarHBondContact CD-O 3.29Å
242N86.5Confident91.5Very high145 Ų14557.6 Ų57.678%0.77531%0.311SS*.SBendtrans-119.6-9.3-162.4-58.1-14.9000114
243L87.4Confident91.5Very high45 Ų4555.1 Ų55.124%0.23630%0.297CS..  trans-83135.2176.2-60.3179.9000110.4A219 N238 T240 Q257 L294A219-L243 HydrophobicContact CB-CD1 3.6Å; N238-L243 PolarHBondContact ND2-O 3.11Å; T240-L243 HydrophobicContact CG2-CD1 3.71Å; T240-L243 HydrophobicContact CG2-CG 4.11Å; T240-L243 WeakPolarHBondContact OG1-CB 3.23Å; T240-L243 WeakPolarHBondContact OG1-CG 2.91Å; T240-L243 PolarHBondContact OG1-N 2.71Å; L243-Q257 PolarHBondContact O-NE2 2.75Å; L243-L294 HydrophobicContact CD1-CD1 4.2Å; L243-L294 HydrophobicContact CD2-CD1 4.27Å
244P90.9Very high91.5Very high81 Ų8159.2 Ų59.253%0.52631%0.314SS..  trans-71.6151.9177.430.4-35.8000111.9M246P244-M246 HydrophobicContact CB-SD 4.33Å; P244-M246 HydrophobicContact CG-SD 3.62Å; P244-M246 PolarHBondContact O-N 3.02Å
245N94.9Very high91.5Very high22 Ų2256.1 Ų56.112%0.11830%0.3CS..  trans-8387.7167.4-62.8-23.7000108.8N238 F247 E248 Y255N238-N245 PolarHBondContact ND2-OD1 2.84Å; N245-F247 PolarHBondContact O-N 3.4Å; N245-F247 VanDerWaalsContact O-N 3.07Å; N245-E248 HydrophobicContact CB-CB 3.84Å; N245-E248 WeakPolarHBondContact CB-OE2 3.44Å; N245-E248 PolarHBondContact ND2-OE2 3.11Å; N245-E248 PolarHBondContact O-N 3.25Å; N245-Y255 HydrophobicContact CB-CD1 3.42Å; N245-Y255 VanDerWaalsContact CB-CD1 3.42Å; N245-Y255 HydrophobicContact CB-CD2 4.28Å; N245-Y255 HydrophobicContact CB-CE1 3.61Å; N245-Y255 HydrophobicContact CB-CE2 4.44Å; N245-Y255 HydrophobicContact CB-CG 3.77Å; N245-Y255 WeakPolarHBondContact OD1-CD1 3.08Å
246M91.8Very high91.5Very high103 Ų10358.2 Ų58.251%0.50731%0.31SS..THydrogen-bonded Turntrans-51.3-38.8-166.4-66-59.7-63.700114.9A223 P244A223-M246 HydrophobicContact CB-CG 4.12Å; P244-M246 HydrophobicContact CB-SD 4.33Å; P244-M246 HydrophobicContact CG-SD 3.62Å; P244-M246 PolarHBondContact O-N 3.02Å
247F93.3Very high91.5Very high15 Ų1561.8 Ų61.87%0.06633%0.326CS..THydrogen-bonded Turntrans-115.119.4-170.9-47.5-60.3000113.2S222 A223 L225 L228 N245 H249 E250 F253 Y255S222-F247 WeakPolarHBondContact O-CE2 3.41Å; A223-F247 WeakPolarHBondContact O-CZ 3.29Å; L225-F247 HydrophobicContact CD1-CD1 3.97Å; L225-F247 HydrophobicContact CD1-CE1 3.46Å; L225-F247 VanDerWaalsContact CD1-CE1 3.46Å; L225-F247 HydrophobicContact CD1-CZ 3.9Å; L225-F247 HydrophobicContact CD2-CD1 4.04Å; L225-F247 HydrophobicContact CD2-CD2 4.17Å; L225-F247 HydrophobicContact CD2-CE1 4.12Å; L225-F247 HydrophobicContact CD2-CE2 4.23Å; L225-F247 HydrophobicContact CD2-CG 4.09Å; L225-F247 HydrophobicContact CD2-CZ 4.23Å; L225-F247 HydrophobicContact CG-CD1 3.98Å; L225-F247 HydrophobicContact CG-CD2 4.31Å; L225-F247 HydrophobicContact CG-CE1 3.54Å; L225-F247 HydrophobicContact CG-CE2 3.89Å; L225-F247 HydrophobicContact CG-CG 4.37Å; L225-F247 HydrophobicContact CG-CZ 3.5Å; L225-F247 VanDerWaalsContact CG-CZ 3.5Å; L228-F247 HydrophobicContact CD1-CD2 3.77Å; L228-F247 HydrophobicContact CD1-CE2 3.74Å; N245-F247 PolarHBondContact O-N 3.4Å; N245-F247 VanDerWaalsContact O-N 3.07Å; F247-H249 PolarHBondContact O-N 2.87Å; F247-E250 HydrophobicContact CB-CB 4.49Å; F247-E250 HydrophobicContact CB-CG 4.33Å; F247-E250 WeakPolarHBondContact CD1-OE1 3.48Å; F247-E250 PolarHBondContact O-N 3.05Å; F247-F253 HydrophobicContact CB-CD2 3.4Å; F247-F253 VanDerWaalsContact CB-CD2 3.4Å; F247-F253 HydrophobicContact CB-CE2 3.7Å; F247-F253 HydrophobicContact CB-CG 4.16Å; F247-F253 HydrophobicContact CD2-CE2 4.38Å; F247-F253 HydrophobicContact CG-CD2 4.32Å; F247-F253 HydrophobicContact CG-CE2 4.16Å; F247-Y255 HydrophobicContact CB-CE2 4.35Å; F247-Y255 WeakPolarHBondContact CD2-OH 3.32Å; F247-Y255 PolarHBondContact N-OH 2.93Å; F247-Y255 VanDerWaalsContact N-OH 3.15Å
248E88.6Confident91.5Very high91 Ų9161.8 Ų61.843%0.42533%0.326SS..G310 helixtrans-61.9-30-175-174.3161.7-150.500113.2N245 Y255N245-E248 HydrophobicContact CB-CB 3.84Å; N245-E248 WeakPolarHBondContact CB-OE2 3.44Å; N245-E248 PolarHBondContact ND2-OE2 3.11Å; N245-E248 PolarHBondContact O-N 3.25Å; E248-Y255 HydrophobicContact CB-CD2 3.87Å; E248-Y255 HydrophobicContact CB-CE2 4.15Å; E248-Y255 HydrophobicContact CB-CG 4.45Å; E248-Y255 HydrophobicContact CG-CD2 4.23Å
249H86.1Confident91.3Very high184 Ų18465.4 Ų65.485%0.85235%0.35SS*.G310 helixtrans-91-2.4-179.6-59-55000114.3F247 G251F247-H249 PolarHBondContact O-N 2.87Å; H249-G251 VanDerWaalsContact C-N 3.28Å; H249-G251 PolarHBondContact O-N 2.98Å
250E79.8Confident91Very high105 Ų10565.6 Ų65.649%0.49135%0.351SS..G310 helixtrans-84.20.2-177.4-61.2-171.2-179.800113.2F247 D252F247-E250 HydrophobicContact CB-CB 4.49Å; F247-E250 HydrophobicContact CB-CG 4.33Å; F247-E250 WeakPolarHBondContact CD1-OE1 3.48Å; F247-E250 PolarHBondContact O-N 3.05Å; E250-D252 PolarHBondContact O-N 3.35Å
251G72.9Confident90.6Very high71 Ų7167.4 Ų67.473%0.73236%0.364SS*.SBendtrans78.7-21.2170.100000116.2H249H249-G251 VanDerWaalsContact C-N 3.28Å; H249-G251 PolarHBondContact O-N 2.98Å
252D87.2Confident90.6Very high115 Ų11568.1 Ų68.162%0.61537%0.365SS*.SBendtrans-92.4-12.2-178.2-79.6-33000114.7E250E250-D252 PolarHBondContact O-N 3.35Å
253F95.9Very high90.4Very high27 Ų2764.8 Ų64.812%0.11835%0.345CS..  trans-113.3134.6-176.9-62.3-79.9000112.3L225 L228 I233 K234 I236 F247 Y255L225-F253 HydrophobicContact CD2-CE2 3.72Å; L225-F253 HydrophobicContact CD2-CZ 3.79Å; L228-F253 HydrophobicContact CB-CE1 4.04Å; L228-F253 HydrophobicContact CB-CZ 4.27Å; L228-F253 HydrophobicContact CD1-CE1 3.91Å; L228-F253 HydrophobicContact CD1-CZ 4.08Å; L228-F253 HydrophobicContact CG-CE1 4.5Å; I233-F253 VanDerWaalsContact O-CE1 3.24Å; I233-F253 WeakPolarHBondContact O-CE1 3.44Å; K234-F253 CarbonylContact O-C 3.28Å; K234-F253 WeakPolarHBondContact O-CA 3.26Å; I236-F253 HydrophobicContact CD1-CD1 3.85Å; I236-F253 HydrophobicContact CD1-CE1 4.35Å; I236-F253 HydrophobicContact CD1-CG 4.44Å; F247-F253 HydrophobicContact CB-CD2 3.4Å; F247-F253 VanDerWaalsContact CB-CD2 3.4Å; F247-F253 HydrophobicContact CB-CE2 3.7Å; F247-F253 HydrophobicContact CB-CG 4.16Å; F247-F253 HydrophobicContact CD2-CE2 4.38Å; F247-F253 HydrophobicContact CG-CD2 4.32Å; F247-F253 HydrophobicContact CG-CE2 4.16Å; F253-Y255 HydrophobicContact CB-CD2 3.96Å; F253-Y255 HydrophobicContact CB-CE2 3.48Å; F253-Y255 VanDerWaalsContact CB-CE2 3.48Å; F253-Y255 HydrophobicContact CG-CE2 4.26Å
254K97.3Very high89.7Confident89 Ų8968.2 Ų68.239%0.38736%0.355SS..EExtended strand (participates in β ladder)trans-101.9119.3168.2-164.7-177.7-174.2-172.40109.3K234 Y235 I236 F278 E281K234-K254 PolarHBondContact O-N 3.28Å; Y235-K254 WeakPolarHBondContact CA-O 3.43Å; Y235-K254 HydrophobicContact CD1-CB 4.23Å; Y235-K254 HydrophobicContact CD1-CD 4.14Å; Y235-K254 HydrophobicContact CE1-CB 4.23Å; Y235-K254 HydrophobicContact CE1-CD 3.48Å; Y235-K254 VanDerWaalsContact CE1-CD 3.48Å; Y235-K254 HydrophobicContact CE1-CG 4.34Å; Y235-K254 HydrophobicContact CG-CB 4.42Å; I236-K254 PolarHBondContact N-O 3.22Å; K254-F278 HydrophobicContact CD-CE2 3.97Å; K254-F278 HydrophobicContact CG-CE2 4.1Å; K254-F278 HydrophobicContact CG-CZ 4.35Å; K254-E281 IonicContact NZ-OE1 2.94Å; K254-E281 PolarHBondContact NZ-OE1 3.34Å; K254-E281 IonicContact NZ-OE2 3.93Å; K254-E281 PolarHBondContact NZ-OE2 3.31Å
255Y98Very high89Confident23 Ų2367.5 Ų67.59%0.0935%0.351CS..EExtended strand (participates in β ladder)trans-100.5151177.2-77.3-99.5000111.9I236 N245 F247 E248 F253I236-Y255 HydrophobicContact CB-CD1 3.72Å; I236-Y255 HydrophobicContact CB-CE1 3.58Å; I236-Y255 HydrophobicContact CB-CG 4.35Å; I236-Y255 HydrophobicContact CD1-CE1 3.76Å; I236-Y255 HydrophobicContact CD1-CE2 4.09Å; I236-Y255 VanDerWaalsContact CD1-CZ 3.44Å; I236-Y255 VanDerWaalsContact CD1-OH 3.24Å; I236-Y255 WeakPolarHBondContact CD1-OH 3.48Å; I236-Y255 HydrophobicContact CG1-CE1 4.25Å; I236-Y255 HydrophobicContact CG2-CD1 3.83Å; I236-Y255 HydrophobicContact CG2-CE1 3.52Å; I236-Y255 WeakPolarHBondContact O-CA 3.5Å; N245-Y255 HydrophobicContact CB-CD1 3.42Å; N245-Y255 VanDerWaalsContact CB-CD1 3.42Å; N245-Y255 HydrophobicContact CB-CD2 4.28Å; N245-Y255 HydrophobicContact CB-CE1 3.61Å; N245-Y255 HydrophobicContact CB-CE2 4.44Å; N245-Y255 HydrophobicContact CB-CG 3.77Å; N245-Y255 WeakPolarHBondContact OD1-CD1 3.08Å; F247-Y255 HydrophobicContact CB-CE2 4.35Å; F247-Y255 WeakPolarHBondContact CD2-OH 3.32Å; F247-Y255 PolarHBondContact N-OH 2.93Å; F247-Y255 VanDerWaalsContact N-OH 3.15Å; E248-Y255 HydrophobicContact CB-CD2 3.87Å; E248-Y255 HydrophobicContact CB-CE2 4.15Å; E248-Y255 HydrophobicContact CB-CG 4.45Å; E248-Y255 HydrophobicContact CG-CD2 4.23Å; F253-Y255 HydrophobicContact CB-CD2 3.96Å; F253-Y255 HydrophobicContact CB-CE2 3.48Å; F253-Y255 VanDerWaalsContact CB-CE2 3.48Å; F253-Y255 HydrophobicContact CG-CE2 4.26Å
256K98.4Very high88.6Confident58 Ų5869 Ų6925%0.25236%0.358SS..EExtended strand (participates in β ladder)trans-136.7132157.6173.1174.3-84.4-108.40107.5I236 L237 N238 E274 F278I236-K256 PolarHBondContact O-N 3.21Å; L237-K256 WeakPolarHBondContact CA-O 3.33Å; L237-K256 HydrophobicContact CD1-CB 3.91Å; L237-K256 HydrophobicContact CD1-CD 4.03Å; L237-K256 HydrophobicContact CD1-CG 3.79Å; L237-K256 WeakPolarHBondContact CD1-O 3.29Å; N238-K256 PolarHBondContact N-O 3.48Å; K256-E274 IonicContact NZ-OE2 3.04Å; K256-E274 PolarHBondContact NZ-OE2 2.94Å; K256-F278 HydrophobicContact CB-CD1 3.82Å; K256-F278 HydrophobicContact CB-CD2 4.06Å; K256-F278 HydrophobicContact CB-CE1 3.68Å; K256-F278 HydrophobicContact CB-CE2 3.91Å; K256-F278 HydrophobicContact CB-CG 4.01Å; K256-F278 HydrophobicContact CB-CZ 3.71Å; K256-F278 HydrophobicContact CD-CB 3.9Å; K256-F278 HydrophobicContact CD-CD1 4.3Å; K256-F278 HydrophobicContact CD-CD2 4.27Å; K256-F278 HydrophobicContact CD-CG 3.92Å
257Q98.3Very high88.6Confident75 Ų7567.5 Ų67.535%0.3535%0.352SS..EExtended strand (participates in β ladder)trans-110.4129.8177.2-169.9174.41600110.3N238 T240 L243N238-Q257 HydrophobicContact CB-CB 4.49Å; N238-Q257 HydrophobicContact CB-CG 4.27Å; N238-Q257 CarbonylContact O-C 3.35Å; N238-Q257 WeakPolarHBondContact O-CA 3.34Å; T240-Q257 WeakPolarHBondContact O-CG 3.35Å; T240-Q257 PolarHBondContact O-NE2 2.83Å; L243-Q257 PolarHBondContact O-NE2 2.75Å
258I98.3Very high88.8Confident0 Ų066.8 Ų66.80%035%0.348CS..  trans-110.4101.7170.2-64174.5000106.4L237 N238 V239 T240 I260 L268 F271 A275L237-I258 HydrophobicContact CD1-CD1 3.88Å; L237-I258 HydrophobicContact CD1-CG1 4.11Å; N238-I258 PolarHBondContact O-N 3.16Å; V239-I258 CarbonylContact C-O 3.6Å; V239-I258 WeakPolarHBondContact CA-O 3.38Å; V239-I258 HydrophobicContact CG1-CB 4.27Å; V239-I258 HydrophobicContact CG1-CG2 4.26Å; T240-I258 PolarHBondContact N-O 3.16Å; I258-I260 HydrophobicContact CG2-CB 4.37Å; I258-I260 HydrophobicContact CG2-CG1 3.88Å; I258-I260 PolarHBondContact O-N 3.47Å; I258-L268 HydrophobicContact CG2-CD1 4Å; I258-F271 HydrophobicContact CD1-CB 3.95Å; I258-F271 HydrophobicContact CG1-CB 4.39Å; I258-F271 HydrophobicContact CG2-CB 3.87Å; I258-F271 HydrophobicContact CG2-CD1 4.26Å; I258-F271 HydrophobicContact CG2-CD2 3.71Å; I258-F271 HydrophobicContact CG2-CE2 4.3Å; I258-F271 HydrophobicContact CG2-CG 3.68Å; I258-A275 HydrophobicContact CD1-CB 3.78Å
259P95.9Very high89.2Confident76 Ų7664.1 Ų64.149%0.49434%0.34SS..  trans-79.467.4-168.232.4-36.4000112.4P241P241-P259 HydrophobicContact CB-CB 4.12Å
260I91Very high89.7Confident5 Ų560.8 Ų60.83%0.02633%0.325CS..  trans-114.7125.3-177.3-71.5-71.7000112P241 I258 Q266 L268 F271 R299 F336P241-I260 WeakPolarHBondContact CD-O 3.29Å; I258-I260 HydrophobicContact CG2-CB 4.37Å; I258-I260 HydrophobicContact CG2-CG1 3.88Å; I258-I260 PolarHBondContact O-N 3.47Å; I260-Q266 HydrophobicContact CD1-CB 4.21Å; I260-Q266 HydrophobicContact CG2-CB 3.91Å; I260-Q266 HydrophobicContact CG2-CG 4.34Å; I260-L268 HydrophobicContact CB-CD1 4.19Å; I260-L268 HydrophobicContact CG1-CD1 4.15Å; I260-L268 HydrophobicContact CG2-CB 4.36Å; I260-L268 HydrophobicContact CG2-CD1 4.14Å; I260-F271 HydrophobicContact CD1-CD2 4.35Å; I260-F271 HydrophobicContact CD1-CE2 3.68Å; I260-F271 HydrophobicContact CG1-CD2 3.96Å; I260-F271 HydrophobicContact CG1-CE2 3.66Å; I260-R299 WeakPolarHBondContact O-CD 3.4Å; I260-R299 PolarHBondContact O-NH1 2.91Å; I260-R299 VanDerWaalsContact O-NH1 3.14Å; I260-F336 HydrophobicContact CG2-CE1 4.38Å; I260-F336 HydrophobicContact CG2-CZ 3.95Å
261S84Confident90.6Very high41 Ų4158 Ų5829%0.28731%0.311SS..  trans-76.5157.4172.261.30000111.6H263 Q266S261-H263 PolarHBondContact O-N 3.04Å; S261-Q266 WeakPolarHBondContact O-CG 3.1Å; S261-Q266 VanDerWaalsContact OG-CG 3.3Å; S261-Q266 WeakPolarHBondContact OG-CG 3.47Å; S261-Q266 PolarHBondContact OG-NE2 2.67Å
262D86.7Confident91.9Very high60 Ų6054.7 Ų54.732%0.32128%0.276SS..SBendtrans-82.362-179.3-139.7-35.3000111.5S298 R299 F336D262-S298 VanDerWaalsContact OD1-CB 3.29Å; D262-S298 WeakPolarHBondContact OD1-CB 3.41Å; D262-S298 PolarHBondContact OD1-OG 2.85Å; D262-S298 VanDerWaalsContact OD2-CB 3.26Å; D262-S298 WeakPolarHBondContact OD2-CB 3.42Å; D262-S298 PolarHBondContact OD2-OG 3.01Å; D262-R299 HydrophobicContact CB-CG 4.36Å; D262-R299 IonicContact OD2-CZ 2.9Å; D262-R299 IonicContact OD2-NE 2.67Å; D262-R299 PolarHBondContact OD2-NE 2.85Å; D262-R299 IonicContact OD2-NH2 2.72Å; D262-F336 WeakPolarHBondContact OD1-CE2 3.12Å
263H81.8Confident92.4Very high75 Ų7553.2 Ų53.235%0.34727%0.273SS..SBendtrans-133.4148.2-166.9-168.5-101.8000112.2S261 S265 Q266S261-H263 PolarHBondContact O-N 3.04Å; H263-S265 PolarHBondContact ND1-N 2.83Å; H263-S265 PolarHBondContact ND1-OG 2.97Å; H263-S265 PolarHBondContact O-N 3.02Å; H263-S265 VanDerWaalsContact O-N 3.09Å; H263-Q266 HydrophobicContact CB-CG 4.05Å; H263-Q266 WeakPolarHBondContact O-CB 3.21Å; H263-Q266 PolarHBondContact O-N 3.48Å; H263-Q266 VanDerWaalsContact O-N 3.11Å
264W72.9Confident92.5Very high117 Ų11755 Ų5544%0.44328%0.282SS..THydrogen-bonded Turntrans-63.3-19.1-175.361.2-97.9000114F334 N335W264-F334 HydrophobicContact CB-CE1 4.08Å; W264-F334 HydrophobicContact CB-CE2 4.21Å; W264-F334 HydrophobicContact CB-CZ 3.44Å; W264-F334 VanDerWaalsContact CB-CZ 3.44Å; W264-F334 HydrophobicContact CG-CZ 4.34Å; W264-N335 HydrophobicContact CB-CB 4.3Å; W264-N335 PolarHBondContact O-ND2 2.95Å; W264-N335 VanDerWaalsContact O-ND2 3.07Å; W264-N335 PolarHBondContact O-OD1 3.37Å
265S76Confident92.6Very high65 Ų6550.8 Ų50.846%0.45526%0.264SS..THydrogen-bonded Turntrans-88.3-4.3-179.670.90000113.6H263H263-S265 PolarHBondContact ND1-N 2.83Å; H263-S265 PolarHBondContact ND1-OG 2.97Å; H263-S265 PolarHBondContact O-N 3.02Å; H263-S265 VanDerWaalsContact O-N 3.09Å
266Q86.4Confident92.6Very high55 Ų5550 Ų5026%0.25726%0.261SS..  trans-89.8140.8-172-62.4-61-40.100111.6I260 S261 H263 N335 F336 Q339I260-Q266 HydrophobicContact CD1-CB 4.21Å; I260-Q266 HydrophobicContact CG2-CB 3.91Å; I260-Q266 HydrophobicContact CG2-CG 4.34Å; S261-Q266 WeakPolarHBondContact O-CG 3.1Å; S261-Q266 VanDerWaalsContact OG-CG 3.3Å; S261-Q266 WeakPolarHBondContact OG-CG 3.47Å; S261-Q266 PolarHBondContact OG-NE2 2.67Å; H263-Q266 HydrophobicContact CB-CG 4.05Å; H263-Q266 WeakPolarHBondContact O-CB 3.21Å; H263-Q266 PolarHBondContact O-N 3.48Å; H263-Q266 VanDerWaalsContact O-N 3.11Å; Q266-N335 PolarHBondContact O-ND2 3.48Å; Q266-F336 HydrophobicContact CB-CE1 4.15Å; Q266-F336 HydrophobicContact CB-CZ 4.28Å; Q266-Q339 PolarHBondContact O-NE2 2.91Å
267N91.7Very high92.6Very high70 Ų7051 Ų5137%0.37428%0.276SS..  trans-101.7100.9172.6-177-2.5000109.1S269 Q270 F271N267-S269 PolarHBondContact OD1-N 3.13Å; N267-S269 PolarHBondContact OD1-OG 3.27Å; N267-Q270 WeakPolarHBondContact O-CG 3.49Å; N267-Q270 PolarHBondContact O-NE2 3.09Å; N267-Q270 PolarHBondContact OD1-N 3.13Å; N267-F271 WeakPolarHBondContact O-CE2 3.43Å
268L97.3Very high92.6Very high0 Ų047.8 Ų47.80%026%0.26CS..  trans-89.5-29.1178.1-176.755.3000111.8V239 I258 I260 Q270 F271 F272 T302 V303 F336V239-L268 HydrophobicContact CG1-CD1 3.87Å; I258-L268 HydrophobicContact CG2-CD1 4Å; I260-L268 HydrophobicContact CB-CD1 4.19Å; I260-L268 HydrophobicContact CG1-CD1 4.15Å; I260-L268 HydrophobicContact CG2-CB 4.36Å; I260-L268 HydrophobicContact CG2-CD1 4.14Å; L268-Q270 VanDerWaalsContact C-N 3.27Å; L268-Q270 PolarHBondContact O-N 2.94Å; L268-F271 HydrophobicContact CD1-CD2 4.48Å; L268-F271 PolarHBondContact O-N 3.11Å; L268-F272 HydrophobicContact CG-CE1 4.04Å; L268-T302 HydrophobicContact CD2-CG2 3.88Å; L268-V303 HydrophobicContact CD1-CG2 4.21Å; L268-V303 HydrophobicContact CD2-CG2 4.25Å; L268-V303 HydrophobicContact CG-CG2 4.4Å; L268-F336 HydrophobicContact CB-CD1 3.75Å; L268-F336 HydrophobicContact CB-CE1 3.57Å; L268-F336 HydrophobicContact CB-CZ 4.32Å; L268-F336 HydrophobicContact CD2-CD1 4.14Å; L268-F336 HydrophobicContact CD2-CD2 4.36Å; L268-F336 HydrophobicContact CD2-CE1 4.14Å; L268-F336 HydrophobicContact CD2-CE2 4.35Å; L268-F336 HydrophobicContact CD2-CG 4.27Å; L268-F336 HydrophobicContact CD2-CZ 4.24Å
269S97.5Very high92.7Very high35 Ų3547.8 Ų47.825%0.24526%0.26CS..G310 helixtrans-64.3-28.6-176.757.10000114.2N267 F271 F272N267-S269 PolarHBondContact OD1-N 3.13Å; N267-S269 PolarHBondContact OD1-OG 3.27Å; S269-F271 PolarHBondContact O-N 2.99Å; S269-F271 VanDerWaalsContact O-N 3.08Å; S269-F272 VanDerWaalsContact CB-CE2 3.43Å; S269-F272 WeakPolarHBondContact O-CB 3.44Å; S269-F272 WeakPolarHBondContact O-CG 3.39Å; S269-F272 PolarHBondContact O-N 3.25Å
270Q97.6Very high92.8Very high114 Ų11446.3 Ų46.353%0.53325%0.248SC..G310 helixtrans-57.5-23.4172.970.3-175.7-35.700113.1N267 L268N267-Q270 WeakPolarHBondContact O-CG 3.49Å; N267-Q270 PolarHBondContact O-NE2 3.09Å; N267-Q270 PolarHBondContact OD1-N 3.13Å; L268-Q270 VanDerWaalsContact C-N 3.27Å; L268-Q270 PolarHBondContact O-N 2.94Å
271F98.6Very high93.1Very high47 Ų4748.5 Ų48.521%0.20626%0.258CS..G310 helixtrans-97.2-2.8179.7-55.6-74.1000113.5I258 I260 N267 L268 S269 E274 A275I258-F271 HydrophobicContact CD1-CB 3.95Å; I258-F271 HydrophobicContact CG1-CB 4.39Å; I258-F271 HydrophobicContact CG2-CB 3.87Å; I258-F271 HydrophobicContact CG2-CD1 4.26Å; I258-F271 HydrophobicContact CG2-CD2 3.71Å; I258-F271 HydrophobicContact CG2-CE2 4.3Å; I258-F271 HydrophobicContact CG2-CG 3.68Å; I260-F271 HydrophobicContact CD1-CD2 4.35Å; I260-F271 HydrophobicContact CD1-CE2 3.68Å; I260-F271 HydrophobicContact CG1-CD2 3.96Å; I260-F271 HydrophobicContact CG1-CE2 3.66Å; N267-F271 WeakPolarHBondContact O-CE2 3.43Å; L268-F271 HydrophobicContact CD1-CD2 4.48Å; L268-F271 PolarHBondContact O-N 3.11Å; S269-F271 PolarHBondContact O-N 2.99Å; S269-F271 VanDerWaalsContact O-N 3.08Å; F271-E274 HydrophobicContact CB-CG 4.13Å; F271-E274 HydrophobicContact CD1-CG 4.49Å; F271-E274 WeakPolarHBondContact CD1-OE1 3.34Å; F271-E274 WeakPolarHBondContact O-CG 3.48Å; F271-E274 PolarHBondContact O-N 3.03Å; F271-A275 WeakPolarHBondContact O-CB 3.44Å; F271-A275 PolarHBondContact O-N 3.33Å
272F98.6Very high93.8Very high1 Ų146.6 Ų46.60%0.00425%0.245CC..Hα-helixtrans-56.3-45.9178.7-66-17.8000113.1L268 S269 E274 A275 I276 T302 A306 L340 F343L268-F272 HydrophobicContact CG-CE1 4.04Å; S269-F272 VanDerWaalsContact CB-CE2 3.43Å; S269-F272 WeakPolarHBondContact O-CB 3.44Å; S269-F272 WeakPolarHBondContact O-CG 3.39Å; S269-F272 PolarHBondContact O-N 3.25Å; F272-E274 VanDerWaalsContact C-N 3.3Å; F272-E274 PolarHBondContact O-N 3.08Å; F272-A275 PolarHBondContact O-N 3.03Å; F272-I276 HydrophobicContact CB-CD1 4.18Å; F272-I276 VanDerWaalsContact O-CB 3.29Å; F272-I276 WeakPolarHBondContact O-CB 3.47Å; F272-I276 WeakPolarHBondContact O-CD1 3.24Å; F272-I276 WeakPolarHBondContact O-CG1 3.49Å; F272-I276 PolarHBondContact O-N 3.47Å; F272-T302 HydrophobicContact CE1-CG2 4.01Å; F272-T302 HydrophobicContact CZ-CG2 3.83Å; F272-A306 HydrophobicContact CD1-CB 3.88Å; F272-A306 HydrophobicContact CD2-CB 3.83Å; F272-A306 HydrophobicContact CE1-CB 3.91Å; F272-A306 HydrophobicContact CE2-CB 3.87Å; F272-A306 HydrophobicContact CG-CB 3.84Å; F272-A306 HydrophobicContact CZ-CB 3.92Å; F272-L340 HydrophobicContact CE2-CD2 4.06Å; F272-L340 HydrophobicContact CZ-CD2 3.89Å; F272-L340 HydrophobicContact CZ-CG 4.46Å; F272-F343 HydrophobicContact CB-CE2 4.42Å; F272-F343 HydrophobicContact CB-CZ 4.4Å; F272-F343 HydrophobicContact CD2-CB 4.13Å; F272-F343 AromaticContact CD2-CD1 3.85Å; F272-F343 HydrophobicContact CD2-CD1 3.85Å; F272-F343 AromaticContact CD2-CD2 3.82Å; F272-F343 HydrophobicContact CD2-CD2 3.82Å; F272-F343 HydrophobicContact CD2-CE1 4.15Å; F272-F343 HydrophobicContact CD2-CE2 4.14Å; F272-F343 AromaticContact CD2-CG 3.67Å; F272-F343 HydrophobicContact CD2-CG 3.67Å; F272-F343 HydrophobicContact CD2-CZ 4.29Å; F272-F343 HydrophobicContact CE2-CB 3.94Å; F272-F343 HydrophobicContact CE2-CD1 4.1Å; F272-F343 HydrophobicContact CE2-CD2 4.48Å; F272-F343 AromaticContact CE2-CG 3.94Å; F272-F343 HydrophobicContact CE2-CG 3.94Å
273P98.1Very high94.3Very high85 Ų8546.2 Ų46.255%0.55224%0.239SC*.Hα-helixtrans-58.6-41.7-179.5-25.435.9000113S277P273-S277 WeakPolarHBondContact O-CB 3.33Å; P273-S277 PolarHBondContact O-N 3.46Å; P273-S277 VanDerWaalsContact O-N 3.08Å
274E98.1Very high95.1Very high64 Ų6447 Ų4730%0.29925%0.253SS..Hα-helixtrans-75.2-34.5-179.765.9154-175.500113.3K256 F271 F272 F278K256-E274 IonicContact NZ-OE2 3.04Å; K256-E274 PolarHBondContact NZ-OE2 2.94Å; F271-E274 HydrophobicContact CB-CG 4.13Å; F271-E274 HydrophobicContact CD1-CG 4.49Å; F271-E274 WeakPolarHBondContact CD1-OE1 3.34Å; F271-E274 WeakPolarHBondContact O-CG 3.48Å; F271-E274 PolarHBondContact O-N 3.03Å; F272-E274 VanDerWaalsContact C-N 3.3Å; F272-E274 PolarHBondContact O-N 3.08Å; E274-F278 WeakPolarHBondContact O-CB 3.4Å; E274-F278 PolarHBondContact O-N 3.2Å; E274-F278 VanDerWaalsContact O-N 3.08Å
275A98.7Very high96.3Very high0 Ų046.9 Ų46.90%026%0.256CS..Hα-helixtrans-65.7-45.917600000110.6L237 I258 F271 F272 F278 I279 V303L237-A275 HydrophobicContact CD2-CB 3.9Å; I258-A275 HydrophobicContact CD1-CB 3.78Å; F271-A275 WeakPolarHBondContact O-CB 3.44Å; F271-A275 PolarHBondContact O-N 3.33Å; F272-A275 PolarHBondContact O-N 3.03Å; A275-F278 PolarHBondContact O-N 3.1Å; A275-I279 VanDerWaalsContact O-CG1 3.28Å; A275-I279 WeakPolarHBondContact O-CG1 3.46Å; A275-I279 PolarHBondContact O-N 3.25Å; A275-V303 HydrophobicContact CB-CG1 3.67Å
276I98.7Very high97.3Very high8 Ų850.4 Ų50.44%0.04126%0.263CS..Hα-helixtrans-65.1-43.7-179-68.4170.6000110.5F272 F278 I279 D280 Y307 Q310 F343F272-I276 HydrophobicContact CB-CD1 4.18Å; F272-I276 VanDerWaalsContact O-CB 3.29Å; F272-I276 WeakPolarHBondContact O-CB 3.47Å; F272-I276 WeakPolarHBondContact O-CD1 3.24Å; F272-I276 WeakPolarHBondContact O-CG1 3.49Å; F272-I276 PolarHBondContact O-N 3.47Å; I276-F278 VanDerWaalsContact C-N 3.33Å; I276-F278 PolarHBondContact O-N 3.34Å; I276-I279 PolarHBondContact O-N 3Å; I276-D280 WeakPolarHBondContact O-CB 3.46Å; I276-D280 PolarHBondContact O-N 3.4Å; I276-Y307 HydrophobicContact CB-CD2 4.17Å; I276-Y307 HydrophobicContact CG1-CD2 4.04Å; I276-Y307 HydrophobicContact CG2-CD2 3.87Å; I276-Y307 HydrophobicContact CG2-CE2 4.17Å; I276-Q310 HydrophobicContact CD1-CB 4.07Å; I276-F343 HydrophobicContact CD1-CE1 4.39Å; I276-F343 HydrophobicContact CD1-CZ 4.06Å
277S98.7Very high97.8Very high79 Ų7949 Ų4955%0.55226%0.258SS*.Hα-helixtrans-59-43.3174-178.10000112.1P273 D280 E281P273-S277 WeakPolarHBondContact O-CB 3.33Å; P273-S277 PolarHBondContact O-N 3.46Å; P273-S277 VanDerWaalsContact O-N 3.08Å; S277-D280 PolarHBondContact O-N 2.78Å; S277-E281 PolarHBondContact O-N 3.29Å
278F98.8Very high98.1Very high7 Ų745.6 Ų45.63%0.03124%0.241CC..Hα-helixtrans-67.4-38.9178.5-171.2-112.1000113Y235 L237 K254 K256 E274 A275 I276 E281 A282 I289Y235-F278 HydrophobicContact CD1-CD2 4.22Å; Y235-F278 HydrophobicContact CD1-CE1 4.06Å; Y235-F278 AromaticContact CD1-CE2 3.63Å; Y235-F278 HydrophobicContact CD1-CE2 3.63Å; Y235-F278 AromaticContact CD1-CZ 3.54Å; Y235-F278 HydrophobicContact CD1-CZ 3.54Å; Y235-F278 HydrophobicContact CE1-CD2 4.45Å; Y235-F278 AromaticContact CE1-CE2 3.96Å; Y235-F278 HydrophobicContact CE1-CE2 3.96Å; Y235-F278 HydrophobicContact CE1-CZ 4.32Å; Y235-F278 HydrophobicContact CG-CZ 4.37Å; L237-F278 HydrophobicContact CB-CD1 4.11Å; L237-F278 HydrophobicContact CB-CE1 4.2Å; L237-F278 HydrophobicContact CD1-CD1 4.16Å; K254-F278 HydrophobicContact CD-CE2 3.97Å; K254-F278 HydrophobicContact CG-CE2 4.1Å; K254-F278 HydrophobicContact CG-CZ 4.35Å; K256-F278 HydrophobicContact CB-CD1 3.82Å; K256-F278 HydrophobicContact CB-CD2 4.06Å; K256-F278 HydrophobicContact CB-CE1 3.68Å; K256-F278 HydrophobicContact CB-CE2 3.91Å; K256-F278 HydrophobicContact CB-CG 4.01Å; K256-F278 HydrophobicContact CB-CZ 3.71Å; K256-F278 HydrophobicContact CD-CB 3.9Å; K256-F278 HydrophobicContact CD-CD1 4.3Å; K256-F278 HydrophobicContact CD-CD2 4.27Å; K256-F278 HydrophobicContact CD-CG 3.92Å; E274-F278 WeakPolarHBondContact O-CB 3.4Å; E274-F278 PolarHBondContact O-N 3.2Å; E274-F278 VanDerWaalsContact O-N 3.08Å; A275-F278 PolarHBondContact O-N 3.1Å; I276-F278 VanDerWaalsContact C-N 3.33Å; I276-F278 PolarHBondContact O-N 3.34Å; F278-E281 PolarHBondContact O-N 3.41Å; F278-A282 PolarHBondContact O-N 2.62Å; F278-I289 HydrophobicContact CD1-CD1 3.6Å; F278-I289 HydrophobicContact CE1-CD1 3.82Å
279I98.8Very high98.2Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-62.8-46.5172.7-65.8160.8000110.6L214 L237 A275 I276 E281 A282 R283 I289 V291 V303 Y307L214-I279 HydrophobicContact CD1-CG2 3.98Å; L214-I279 HydrophobicContact CD2-CG2 4.49Å; L237-I279 HydrophobicContact CD2-CD1 4.37Å; L237-I279 HydrophobicContact CD2-CG1 4.38Å; A275-I279 VanDerWaalsContact O-CG1 3.28Å; A275-I279 WeakPolarHBondContact O-CG1 3.46Å; A275-I279 PolarHBondContact O-N 3.25Å; I276-I279 PolarHBondContact O-N 3Å; I279-E281 VanDerWaalsContact C-N 3.33Å; I279-E281 PolarHBondContact O-N 3.34Å; I279-A282 PolarHBondContact O-N 3.25Å; I279-R283 HydrophobicContact CG2-CG 4.28Å; I279-R283 VanDerWaalsContact O-CG 3.31Å; I279-R283 WeakPolarHBondContact O-CG 3.3Å; I279-R283 PolarHBondContact O-N 2.99Å; I279-I289 HydrophobicContact CB-CD1 4.32Å; I279-I289 HydrophobicContact CG1-CD1 3.84Å; I279-I289 HydrophobicContact CG2-CG2 4.15Å; I279-V291 HydrophobicContact CD1-CG2 4Å; I279-V291 HydrophobicContact CG1-CG2 4.07Å; I279-V303 HydrophobicContact CD1-CG1 4.19Å; I279-Y307 HydrophobicContact CB-CD2 3.86Å; I279-Y307 HydrophobicContact CB-CE2 3.77Å; I279-Y307 HydrophobicContact CD1-CD2 3.85Å; I279-Y307 HydrophobicContact CD1-CG 3.93Å; I279-Y307 HydrophobicContact CG1-CD2 4.48Å; I279-Y307 HydrophobicContact CG2-CD1 4.12Å; I279-Y307 HydrophobicContact CG2-CD2 3.68Å; I279-Y307 HydrophobicContact CG2-CE1 3.82Å; I279-Y307 HydrophobicContact CG2-CE2 3.36Å; I279-Y307 HydrophobicContact CG2-CG 4.05Å; I279-Y307 VanDerWaalsContact CG2-CZ 3.43Å
280D98.4Very high98.2Very high45 Ų4544 Ų4424%0.24123%0.229CC..Hα-helixtrans-63.8-37.9178.6-91.2-10.2000112.4I276 S277 A282 R283 S284 Y307 K311I276-D280 WeakPolarHBondContact O-CB 3.46Å; I276-D280 PolarHBondContact O-N 3.4Å; S277-D280 PolarHBondContact O-N 2.78Å; D280-A282 PolarHBondContact O-N 2.94Å; D280-R283 PolarHBondContact O-N 3.38Å; D280-S284 VanDerWaalsContact O-CB 3.22Å; D280-S284 WeakPolarHBondContact O-CB 3.42Å; D280-S284 PolarHBondContact O-N 3.11Å; D280-S284 PolarHBondContact O-OG 3.37Å; D280-Y307 WeakPolarHBondContact OD1-CE2 3.12Å; D280-Y307 PolarHBondContact OD1-OH 3.25Å; D280-K311 WeakPolarHBondContact OD1-CE 3.38Å; D280-K311 IonicContact OD1-NZ 3.68Å; D280-K311 PolarHBondContact OD1-NZ 3.38Å; D280-K311 IonicContact OD2-NZ 2.76Å; D280-K311 PolarHBondContact OD2-NZ 3.42Å
281E98.4Very high98.3Very high51 Ų5138.5 Ų38.524%0.23820%0.203CC..Hα-helixtrans-56.2-51.4175-167.9-161.7145.500110.9Y235 K254 S277 F278 I279 S284 K285Y235-E281 HydrophobicContact CE1-CB 4.35Å; Y235-E281 HydrophobicContact CE1-CG 4.17Å; Y235-E281 WeakPolarHBondContact CE1-OE1 3.42Å; Y235-E281 PolarHBondContact OH-OE1 3.28Å; K254-E281 IonicContact NZ-OE1 2.94Å; K254-E281 PolarHBondContact NZ-OE1 3.34Å; K254-E281 IonicContact NZ-OE2 3.93Å; K254-E281 PolarHBondContact NZ-OE2 3.31Å; S277-E281 PolarHBondContact O-N 3.29Å; F278-E281 PolarHBondContact O-N 3.41Å; I279-E281 VanDerWaalsContact C-N 3.33Å; I279-E281 PolarHBondContact O-N 3.34Å; E281-S284 PolarHBondContact O-OG 2.88Å; E281-K285 PolarHBondContact O-N 3.01Å; E281-K285 IonicContact OE1-NZ 2.86Å; E281-K285 PolarHBondContact OE1-NZ 2.8Å
282A98.2Very high98.3Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-61.4-49.9-179.900000112Y235 F278 I279 D280 S284 K285 K286 C287 I289Y235-A282 HydrophobicContact CD1-CB 3.62Å; Y235-A282 HydrophobicContact CD2-CB 3.69Å; Y235-A282 HydrophobicContact CE1-CB 4.13Å; Y235-A282 HydrophobicContact CE2-CB 4.24Å; Y235-A282 HydrophobicContact CG-CB 3.39Å; F278-A282 PolarHBondContact O-N 2.62Å; I279-A282 PolarHBondContact O-N 3.25Å; D280-A282 PolarHBondContact O-N 2.94Å; A282-S284 VanDerWaalsContact C-N 3.34Å; A282-S284 PolarHBondContact O-N 3.3Å; A282-K285 PolarHBondContact O-N 2.9Å; A282-K285 VanDerWaalsContact O-N 3.16Å; A282-K286 PolarHBondContact O-N 2.65Å; A282-C287 CarbonylContact C-O 3.48Å; A282-C287 PolarHBondContact O-N 2.71Å; A282-C287 VanDerWaalsContact O-N 3.1Å; A282-I289 HydrophobicContact CB-CB 3.64Å; A282-I289 HydrophobicContact CB-CD1 4.25Å; A282-I289 HydrophobicContact CB-CG1 4.46Å; A282-I289 HydrophobicContact CB-CG2 3.93Å
283R97.9Very high98.2Very high52 Ų5236.3 Ų36.320%0.19619%0.194CC..Hα-helixtrans-66.3-35.2-176.8-65.7-176.274.7-143.6-5112.2P212 I279 D280 K285 K286 I289 Y307P212-R283 PolarHBondContact O-NE 2.87Å; P212-R283 PolarHBondContact O-NH2 2.85Å; I279-R283 HydrophobicContact CG2-CG 4.28Å; I279-R283 VanDerWaalsContact O-CG 3.31Å; I279-R283 WeakPolarHBondContact O-CG 3.3Å; I279-R283 PolarHBondContact O-N 2.99Å; D280-R283 PolarHBondContact O-N 3.38Å; R283-K285 PolarHBondContact O-N 3.05Å; R283-K286 PolarHBondContact O-N 2.78Å; R283-I289 HydrophobicContact CG-CG2 4.27Å; R283-Y307 WeakPolarHBondContact CD-OH 3.45Å; R283-Y307 PolarHBondContact NH1-OH 3.36Å
284S97.8Very high97.9Very high93 Ų9337.1 Ų37.165%0.6519%0.193SC*.Hα-helixtrans-62.2-31.7176740000112.6D280 E281 A282 K286D280-S284 VanDerWaalsContact O-CB 3.22Å; D280-S284 WeakPolarHBondContact O-CB 3.42Å; D280-S284 PolarHBondContact O-N 3.11Å; D280-S284 PolarHBondContact O-OG 3.37Å; E281-S284 PolarHBondContact O-OG 2.88Å; A282-S284 VanDerWaalsContact C-N 3.34Å; A282-S284 PolarHBondContact O-N 3.3Å; S284-K286 VanDerWaalsContact C-N 3.3Å
285K97.5Very high97.4Very high114 Ų11436.8 Ų36.850%0.49620%0.201SC..THydrogen-bonded Turntrans-85.61.3176.3-66.1171.2178.2174.70113.3Y235 E281 A282 R283 C287Y235-K285 WeakPolarHBondContact OH-CD 3.46Å; Y235-K285 PolarHBondContact OH-NZ 3Å; E281-K285 PolarHBondContact O-N 3.01Å; E281-K285 IonicContact OE1-NZ 2.86Å; E281-K285 PolarHBondContact OE1-NZ 2.8Å; A282-K285 PolarHBondContact O-N 2.9Å; A282-K285 VanDerWaalsContact O-N 3.16Å; R283-K285 PolarHBondContact O-N 3.05Å; K285-C287 PolarHBondContact O-N 2.79Å
286K97.4Very high97.2Very high139 Ų13936.8 Ų36.860%0.60420%0.201SC*.THydrogen-bonded Turntrans55.130.9-172.3-56.7179.2-178.7177.10112.7Y213 A282 R283 S284Y213-K286 WeakPolarHBondContact CD1-O 3.45Å; Y213-K286 HydrophobicContact CE1-CB 3.94Å; Y213-K286 VanDerWaalsContact CE1-O 3.29Å; Y213-K286 WeakPolarHBondContact CE1-O 2.94Å; Y213-K286 HydrophobicContact CE2-CB 4.19Å; Y213-K286 HydrophobicContact CE2-CG 4.21Å; A282-K286 PolarHBondContact O-N 2.65Å; R283-K286 PolarHBondContact O-N 2.78Å; S284-K286 VanDerWaalsContact C-N 3.3Å
287C96.6Very high97Very high24 Ų2438.5 Ų38.516%0.16221%0.21CC..  trans-97.5139.6171.3-67.70000109.1K234 Y235 A282 K285K234-C287 HydrophobicContact CB-CB 4.41Å; Y235-C287 HydrophobicContact CD2-CB 4.15Å; Y235-C287 HydrophobicContact CE2-CB 4.28Å; A282-C287 CarbonylContact C-O 3.48Å; A282-C287 PolarHBondContact O-N 2.71Å; A282-C287 VanDerWaalsContact O-N 3.1Å; K285-C287 PolarHBondContact O-N 2.79Å
288G98.1Very high96.9Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-63.4137.8173.100000111.2Y213 N232 I233 K234 Y235Y213-G288 CarbonylContact O-C 3.35Å; Y213-G288 WeakPolarHBondContact O-CA 3.38Å; N232-G288 WeakPolarHBondContact O-CA 3.47Å; N232-G288 PolarHBondContact O-N 3.49Å; I233-G288 WeakPolarHBondContact CA-O 3.41Å; K234-G288 PolarHBondContact N-O 3.3Å; Y235-G288 PolarHBondContact N-O 3.41Å
289I98.8Very high96.9Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-116.8131.8166.3-178.5165.6000110.9Y213 L214 Y215 Y235 L237 F278 I279 A282 R283Y213-I289 WeakPolarHBondContact O-CG2 3.45Å; Y213-I289 PolarHBondContact O-N 3.4Å; L214-I289 HydrophobicContact CD1-CG2 3.9Å; Y215-I289 PolarHBondContact N-O 2.89Å; Y235-I289 CarbonylContact O-C 3.56Å; Y235-I289 VanDerWaalsContact O-CA 3.27Å; Y235-I289 WeakPolarHBondContact O-CA 3.49Å; L237-I289 HydrophobicContact CB-CD1 4.35Å; F278-I289 HydrophobicContact CD1-CD1 3.6Å; F278-I289 HydrophobicContact CE1-CD1 3.82Å; I279-I289 HydrophobicContact CB-CD1 4.32Å; I279-I289 HydrophobicContact CG1-CD1 3.84Å; I279-I289 HydrophobicContact CG2-CG2 4.15Å; A282-I289 HydrophobicContact CB-CB 3.64Å; A282-I289 HydrophobicContact CB-CD1 4.25Å; A282-I289 HydrophobicContact CB-CG1 4.46Å; A282-I289 HydrophobicContact CB-CG2 3.93Å; R283-I289 HydrophobicContact CG-CG2 4.27Å
290L98.8Very high96.8Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-99.3119.8169.1177.762.9000109.9P207 Y215 D221 L228 I233 Y235 I236 L237 H292P207-L290 HydrophobicContact CB-CD1 3.69Å; P207-L290 HydrophobicContact CG-CD1 4.2Å; Y215-L290 WeakPolarHBondContact O-CA 3.48Å; D221-L290 HydrophobicContact CB-CD2 4.24Å; L228-L290 HydrophobicContact CD2-CD2 3.94Å; I233-L290 HydrophobicContact CD1-CB 4.31Å; I233-L290 HydrophobicContact CG2-CB 3.85Å; Y235-L290 PolarHBondContact O-N 2.89Å; I236-L290 WeakPolarHBondContact CA-O 3.5Å; I236-L290 HydrophobicContact CG1-CB 4.5Å; L237-L290 PolarHBondContact N-O 2.81Å; L290-H292 HydrophobicContact CD2-CB 4.43Å; L290-H292 HydrophobicContact CG-CB 4.21Å
291V98.8Very high96.9Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-97.6116.3166.6-1740000107.7L214 Y215 G217 L237 V239 I279 V303L214-V291 HydrophobicContact CD1-CG2 3.84Å; Y215-V291 PolarHBondContact O-N 2.85Å; G217-V291 PolarHBondContact N-O 3.33Å; G217-V291 VanDerWaalsContact N-O 3.1Å; L237-V291 HydrophobicContact CB-CG1 4.5Å; L237-V291 HydrophobicContact CB-CG2 4.28Å; L237-V291 HydrophobicContact CD2-CG1 4.1Å; L237-V291 HydrophobicContact CD2-CG2 4.18Å; L237-V291 HydrophobicContact CG-CG1 4.42Å; V239-V291 HydrophobicContact CG2-CG1 4.23Å; I279-V291 HydrophobicContact CD1-CG2 4Å; I279-V291 HydrophobicContact CG1-CG2 4.07Å; V291-V303 HydrophobicContact CG1-CB 4.25Å; V291-V303 HydrophobicContact CG1-CG1 4.09Å
292H98.5Very high96.9Very high1 Ų131 Ų311%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-133.4159.1-177.582.799.2000113G217 S222 L237 N238 V239 L290G217-H292 WeakPolarHBondContact O-CA 3.3Å; S222-H292 PolarHBondContact OG-CE1 3.14Å; S222-H292 PolarHBondContact OG-ND1 3.49Å; L237-H292 PolarHBondContact O-CD2 2.84Å; L237-H292 PolarHBondContact O-N 3.5Å; N238-H292 WeakPolarHBondContact CA-NE2 3.22Å; N238-H292 WeakPolarHBondContact CB-NE2 3.3Å; V239-H292 PolarHBondContact N-O 2.84Å; L290-H292 HydrophobicContact CD2-CB 4.43Å; L290-H292 HydrophobicContact CG-CB 4.21Å
293C97.1Very high96.9Very high1 Ų131.1 Ų31.11%0.00717%0.165CC..  trans-133.9-154.9163.769.60000108.1C218 A219 T240 G296 R299 S300C218-C293 CarbonylContact C-O 3.59Å; A219-C293 PolarHBondContact N-O 2.91Å; T240-C293 HydrophobicContact CG2-CB 4.02Å; C293-G296 PolarHBondContact SG-N 3.37Å; C293-R299 HydrophobicContact CB-CB 3.85Å; C293-S300 PolarHBondContact SG-OG 3.35Å; C293-S300 VanDerWaalsContact SG-OG 3.32Å
294L91.3Very high97Very high101 Ų10128.6 Ų28.653%0.52916%0.156SC..SBendtrans-65-63.9177.4-177.161.9000111.9C218 A219 L243C218-L294 WeakPolarHBondContact CB-O 3.26Å; A219-L294 HydrophobicContact CB-CD1 4.16Å; A219-L294 PolarHBondContact N-O 3.07Å; L243-L294 HydrophobicContact CD1-CD1 4.2Å; L243-L294 HydrophobicContact CD2-CD1 4.27Å
295A89.2Confident97Very high57 Ų5724.2 Ų24.247%0.47113%0.125SC..SBendtrans-95.8-12.5-175.100000114.2I297A295-I297 VanDerWaalsContact C-N 3.31Å; A295-I297 HydrophobicContact CB-CB 4.39Å; A295-I297 HydrophobicContact CB-CD1 3.94Å; A295-I297 HydrophobicContact CB-CG1 4.12Å; A295-I297 PolarHBondContact O-N 3.36Å
296G94.1Very high97.1Very high0 Ų018.8 Ų18.80%010%0.101CC..SBendtrans70.623.7-174.300000114.4G217 C293 S300 K327G217-G296 WeakPolarHBondContact O-CA 3.48Å; C293-G296 PolarHBondContact SG-N 3.37Å; G296-S300 WeakPolarHBondContact CA-OG 3.04Å; G296-K327 WeakPolarHBondContact O-CE 3.45Å
297I93.5Very high97.1Very high44 Ų4412.1 Ų12.123%0.2267%0.073CC..SBendtrans-110.2-39.4-171.3-68.7173000113A295 V301 S331A295-I297 VanDerWaalsContact C-N 3.31Å; A295-I297 HydrophobicContact CB-CB 4.39Å; A295-I297 HydrophobicContact CB-CD1 3.94Å; A295-I297 HydrophobicContact CB-CG1 4.12Å; A295-I297 PolarHBondContact O-N 3.36Å; I297-V301 WeakPolarHBondContact O-CG2 3.43Å; I297-S331 CarbonylContact O-C 3.47Å; I297-S331 PolarHBondContact O-N 3.24Å
298S96.4Very high97.2Very high7 Ų711 Ų115%0.0497%0.065CC..SBendtrans-117-80.3-171.8167.90000112.7D262 S300 V301 T302 S331 N333D262-S298 VanDerWaalsContact OD1-CB 3.29Å; D262-S298 WeakPolarHBondContact OD1-CB 3.41Å; D262-S298 PolarHBondContact OD1-OG 2.85Å; D262-S298 VanDerWaalsContact OD2-CB 3.26Å; D262-S298 WeakPolarHBondContact OD2-CB 3.42Å; D262-S298 PolarHBondContact OD2-OG 3.01Å; S298-S300 PolarHBondContact O-N 2.96Å; S298-V301 WeakPolarHBondContact O-CB 3.45Å; S298-V301 PolarHBondContact O-N 3.32Å; S298-V301 VanDerWaalsContact O-N 3.12Å; S298-T302 PolarHBondContact O-N 3.01Å; S298-T302 PolarHBondContact O-OG1 3.29Å; S298-S331 WeakPolarHBondContact CB-O 3.44Å; S298-N333 PolarHBondContact OG-N 3.08Å
299R98.6Very high97.3Very high19 Ų1911 Ų117%0.0727%0.065CC..Hα-helixtrans-52.9-52.2-174.8-71.7163.7-74.7171.5-3.3115.6V239 I260 D262 C293 V301 T302 V303 F336V239-R299 HydrophobicContact CB-CB 4.21Å; V239-R299 HydrophobicContact CG1-CB 3.85Å; V239-R299 WeakPolarHBondContact O-CD 2.95Å; V239-R299 PolarHBondContact O-NH1 3.42Å; I260-R299 WeakPolarHBondContact O-CD 3.4Å; I260-R299 PolarHBondContact O-NH1 2.91Å; I260-R299 VanDerWaalsContact O-NH1 3.14Å; D262-R299 HydrophobicContact CB-CG 4.36Å; D262-R299 IonicContact OD2-CZ 2.9Å; D262-R299 IonicContact OD2-NE 2.67Å; D262-R299 PolarHBondContact OD2-NE 2.85Å; D262-R299 IonicContact OD2-NH2 2.72Å; C293-R299 HydrophobicContact CB-CB 3.85Å; R299-V301 VanDerWaalsContact C-N 3.3Å; R299-V301 PolarHBondContact O-N 2.8Å; R299-T302 WeakPolarHBondContact O-CB 3.44Å; R299-T302 PolarHBondContact O-N 2.79Å; R299-V303 PolarHBondContact O-N 2.87Å; R299-V303 VanDerWaalsContact O-N 3.14Å; R299-F336 HydrophobicContact CG-CD2 4.46Å; R299-F336 HydrophobicContact CG-CE2 3.58Å; R299-F336 HydrophobicContact CG-CZ 4.1Å
300S98.6Very high97.2Very high0 Ų015 Ų150%08%0.083CC..Hα-helixtrans-67.2-32.9179.953.10000112.4L216 C293 G296 S298 T304L216-S300 WeakPolarHBondContact CD1-OG 3.25Å; C293-S300 PolarHBondContact SG-OG 3.35Å; C293-S300 VanDerWaalsContact SG-OG 3.32Å; G296-S300 WeakPolarHBondContact CA-OG 3.04Å; S298-S300 PolarHBondContact O-N 2.96Å; S300-T304 WeakPolarHBondContact O-CB 3.47Å; S300-T304 PolarHBondContact O-N 2.82Å; S300-T304 PolarHBondContact O-OG1 2.88Å
301V98.7Very high97.2Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-63.6-48.6171.8174.40000110.1L216 I297 S298 R299 V303 T304 V305 V323 I330 P332L216-V301 HydrophobicContact CD1-CG2 4.28Å; L216-V301 HydrophobicContact CD2-CG2 3.88Å; I297-V301 WeakPolarHBondContact O-CG2 3.43Å; S298-V301 WeakPolarHBondContact O-CB 3.45Å; S298-V301 PolarHBondContact O-N 3.32Å; S298-V301 VanDerWaalsContact O-N 3.12Å; R299-V301 VanDerWaalsContact C-N 3.3Å; R299-V301 PolarHBondContact O-N 2.8Å; V301-V303 VanDerWaalsContact C-N 3.32Å; V301-V303 PolarHBondContact O-N 3.07Å; V301-T304 CarbonylContact O-C 3.17Å; V301-T304 WeakPolarHBondContact O-CA 3.42Å; V301-T304 WeakPolarHBondContact O-CB 3.32Å; V301-T304 PolarHBondContact O-N 3.3Å; V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CG2 3.48Å; V301-V305 PolarHBondContact O-N 3Å; V301-V323 HydrophobicContact CG1-CG1 4.43Å; V301-I330 HydrophobicContact CB-CG2 4.41Å; V301-I330 HydrophobicContact CG1-CB 3.91Å; V301-I330 HydrophobicContact CG1-CD1 3.99Å; V301-I330 HydrophobicContact CG1-CG2 4.03Å; V301-I330 HydrophobicContact CG2-CB 3.9Å; V301-I330 HydrophobicContact CG2-CG2 3.45Å; V301-I330 VanDerWaalsContact CG2-CG2 3.45Å; V301-P332 HydrophobicContact CB-CG 4.26Å; V301-P332 HydrophobicContact CG1-CG 3.69Å
302T98.8Very high97Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-54.5-49.2179-54.10000111.4L268 F272 S298 R299 T304 V305 A306 F336 L340L268-T302 HydrophobicContact CD2-CG2 3.88Å; F272-T302 HydrophobicContact CE1-CG2 4.01Å; F272-T302 HydrophobicContact CZ-CG2 3.83Å; S298-T302 PolarHBondContact O-N 3.01Å; S298-T302 PolarHBondContact O-OG1 3.29Å; R299-T302 WeakPolarHBondContact O-CB 3.44Å; R299-T302 PolarHBondContact O-N 2.79Å; T302-T304 VanDerWaalsContact C-N 3.31Å; T302-T304 PolarHBondContact O-N 2.49Å; T302-V305 PolarHBondContact O-N 2.98Å; T302-A306 WeakPolarHBondContact O-CB 3.45Å; T302-A306 PolarHBondContact O-N 3.36Å; T302-F336 HydrophobicContact CG2-CB 3.77Å; T302-F336 HydrophobicContact CG2-CG 4.37Å; T302-F336 WeakPolarHBondContact OG1-CB 3.17Å; T302-L340 HydrophobicContact CG2-CD1 3.86Å; T302-L340 HydrophobicContact CG2-CD2 4.06Å; T302-L340 HydrophobicContact CG2-CG 3.83Å
303V98.9Very high96.9Very high1 Ų128.6 Ų28.61%0.00615%0.152CC..Hα-helixtrans-61.7-40.9177.6172.20000111.4L237 V239 L268 A275 I279 V291 R299 V301 A306 Y307L237-V303 HydrophobicContact CD2-CG1 3.88Å; V239-V303 HydrophobicContact CG1-CG2 4.26Å; V239-V303 HydrophobicContact CG2-CG2 4.11Å; L268-V303 HydrophobicContact CD1-CG2 4.21Å; L268-V303 HydrophobicContact CD2-CG2 4.25Å; L268-V303 HydrophobicContact CG-CG2 4.4Å; A275-V303 HydrophobicContact CB-CG1 3.67Å; I279-V303 HydrophobicContact CD1-CG1 4.19Å; V291-V303 HydrophobicContact CG1-CB 4.25Å; V291-V303 HydrophobicContact CG1-CG1 4.09Å; R299-V303 PolarHBondContact O-N 2.87Å; R299-V303 VanDerWaalsContact O-N 3.14Å; V301-V303 VanDerWaalsContact C-N 3.32Å; V301-V303 PolarHBondContact O-N 3.07Å; V303-A306 PolarHBondContact O-N 3.36Å; V303-Y307 WeakPolarHBondContact O-CB 3.49Å; V303-Y307 PolarHBondContact O-N 2.8Å
304T98.9Very high96.9Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-65.1-43.1178.2-590000111.7I210 S300 V301 T302 Y307 L308 V323I210-T304 HydrophobicContact CB-CG2 4.36Å; I210-T304 HydrophobicContact CG1-CG2 4.06Å; I210-T304 HydrophobicContact CG2-CG2 3.9Å; S300-T304 WeakPolarHBondContact O-CB 3.47Å; S300-T304 PolarHBondContact O-N 2.82Å; S300-T304 PolarHBondContact O-OG1 2.88Å; V301-T304 CarbonylContact O-C 3.17Å; V301-T304 WeakPolarHBondContact O-CA 3.42Å; V301-T304 WeakPolarHBondContact O-CB 3.32Å; V301-T304 PolarHBondContact O-N 3.3Å; T302-T304 VanDerWaalsContact C-N 3.31Å; T302-T304 PolarHBondContact O-N 2.49Å; T304-Y307 WeakPolarHBondContact O-CB 3.23Å; T304-Y307 PolarHBondContact O-N 3.15Å; T304-L308 WeakPolarHBondContact O-CG 3.3Å; T304-L308 PolarHBondContact O-N 3.44Å; T304-V323 HydrophobicContact CG2-CG2 4.1Å
305V98.8Very high97.1Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-64.2-47177171.90000110.3V301 T302 Y307 L308 M309 L316 A319 V323 L340V301-V305 HydrophobicContact CG1-CG2 4.05Å; V301-V305 WeakPolarHBondContact O-CG2 3.48Å; V301-V305 PolarHBondContact O-N 3Å; T302-V305 PolarHBondContact O-N 2.98Å; V305-Y307 VanDerWaalsContact C-N 3.26Å; V305-Y307 PolarHBondContact O-N 2.97Å; V305-L308 PolarHBondContact O-N 3.31Å; V305-L308 VanDerWaalsContact O-N 3.09Å; V305-M309 HydrophobicContact CG1-CG 4.38Å; V305-M309 HydrophobicContact CG1-SD 3.9Å; V305-M309 VanDerWaalsContact O-CG 3.29Å; V305-M309 WeakPolarHBondContact O-CG 3.21Å; V305-M309 PolarHBondContact O-N 3.25Å; V305-L316 HydrophobicContact CG1-CD1 3.7Å; V305-A319 HydrophobicContact CG1-CB 3.92Å; V305-V323 HydrophobicContact CG2-CB 4.5Å; V305-V323 HydrophobicContact CG2-CG2 3.96Å; V305-L340 HydrophobicContact CB-CD1 4.22Å; V305-L340 HydrophobicContact CB-CD2 4.45Å; V305-L340 HydrophobicContact CG1-CD1 3.93Å; V305-L340 HydrophobicContact CG1-CD2 4.18Å
306A98.8Very high97.5Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-56.3-42.2174.700000111.8F272 T302 V303 M309 Q310 L340 F343F272-A306 HydrophobicContact CD1-CB 3.88Å; F272-A306 HydrophobicContact CD2-CB 3.83Å; F272-A306 HydrophobicContact CE1-CB 3.91Å; F272-A306 HydrophobicContact CE2-CB 3.87Å; F272-A306 HydrophobicContact CG-CB 3.84Å; F272-A306 HydrophobicContact CZ-CB 3.92Å; T302-A306 WeakPolarHBondContact O-CB 3.45Å; T302-A306 PolarHBondContact O-N 3.36Å; V303-A306 PolarHBondContact O-N 3.36Å; A306-M309 PolarHBondContact O-N 3Å; A306-Q310 PolarHBondContact O-N 3.3Å; A306-L340 HydrophobicContact CB-CD2 3.77Å; A306-F343 HydrophobicContact CB-CD1 4.08Å; A306-F343 HydrophobicContact CB-CE1 3.93Å
307Y98.9Very high97.5Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-60.3-46.2174.9178.7-98.2000112.5L211 L214 I276 I279 D280 R283 V303 T304 V305 Q310 K311L211-Y307 HydrophobicContact CD1-CE1 4.22Å; L214-Y307 HydrophobicContact CD2-CD1 3.64Å; L214-Y307 HydrophobicContact CD2-CE1 3.81Å; I276-Y307 HydrophobicContact CB-CD2 4.17Å; I276-Y307 HydrophobicContact CG1-CD2 4.04Å; I276-Y307 HydrophobicContact CG2-CD2 3.87Å; I276-Y307 HydrophobicContact CG2-CE2 4.17Å; I279-Y307 HydrophobicContact CB-CD2 3.86Å; I279-Y307 HydrophobicContact CB-CE2 3.77Å; I279-Y307 HydrophobicContact CD1-CD2 3.85Å; I279-Y307 HydrophobicContact CD1-CG 3.93Å; I279-Y307 HydrophobicContact CG1-CD2 4.48Å; I279-Y307 HydrophobicContact CG2-CD1 4.12Å; I279-Y307 HydrophobicContact CG2-CD2 3.68Å; I279-Y307 HydrophobicContact CG2-CE1 3.82Å; I279-Y307 HydrophobicContact CG2-CE2 3.36Å; I279-Y307 HydrophobicContact CG2-CG 4.05Å; I279-Y307 VanDerWaalsContact CG2-CZ 3.43Å; D280-Y307 WeakPolarHBondContact OD1-CE2 3.12Å; D280-Y307 PolarHBondContact OD1-OH 3.25Å; R283-Y307 WeakPolarHBondContact CD-OH 3.45Å; R283-Y307 PolarHBondContact NH1-OH 3.36Å; V303-Y307 WeakPolarHBondContact O-CB 3.49Å; V303-Y307 PolarHBondContact O-N 2.8Å; T304-Y307 WeakPolarHBondContact O-CB 3.23Å; T304-Y307 PolarHBondContact O-N 3.15Å; V305-Y307 VanDerWaalsContact C-N 3.26Å; V305-Y307 PolarHBondContact O-N 2.97Å; Y307-Q310 PolarHBondContact O-N 3.07Å; Y307-K311 HydrophobicContact CD1-CB 4.44Å; Y307-K311 HydrophobicContact CE1-CB 4.05Å; Y307-K311 HydrophobicContact CE1-CG 4.14Å; Y307-K311 HydrophobicContact CE2-CB 4.21Å; Y307-K311 HydrophobicContact CE2-CG 4.35Å; Y307-K311 WeakPolarHBondContact O-CB 3.44Å; Y307-K311 PolarHBondContact O-N 2.85Å
308L98.7Very high97.6Very high0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-64.4-41.8178.6-66.7176.9000112I210 L211 T304 V305 Q310 L312 L314 A319 F322 V323I210-L308 HydrophobicContact CG2-CD1 4Å; I210-L308 HydrophobicContact CG2-CD2 4.24Å; L211-L308 HydrophobicContact CD1-CD2 3.53Å; L211-L308 HydrophobicContact CG-CD2 3.98Å; T304-L308 WeakPolarHBondContact O-CG 3.3Å; T304-L308 PolarHBondContact O-N 3.44Å; V305-L308 PolarHBondContact O-N 3.31Å; V305-L308 VanDerWaalsContact O-N 3.09Å; L308-Q310 PolarHBondContact O-N 2.95Å; L308-L312 HydrophobicContact CD2-CD1 3.87Å; L308-L312 WeakPolarHBondContact O-CB 3.27Å; L308-L312 PolarHBondContact O-N 2.92Å; L308-L314 HydrophobicContact CB-CD1 4.49Å; L308-A319 HydrophobicContact CB-CB 3.99Å; L308-F322 HydrophobicContact CD1-CB 4.44Å; L308-F322 HydrophobicContact CD1-CD1 3.66Å; L308-F322 HydrophobicContact CD1-CE1 4.31Å; L308-F322 HydrophobicContact CD1-CG 4.31Å; L308-V323 HydrophobicContact CD1-CG2 3.54Å
309M98.5Very high97.7Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-57.8-50.7176.5-66.5163.764.200111.1V305 A306 N313 L314 L316 A319 L340 F343 E344 L347 L349V305-M309 HydrophobicContact CG1-CG 4.38Å; V305-M309 HydrophobicContact CG1-SD 3.9Å; V305-M309 VanDerWaalsContact O-CG 3.29Å; V305-M309 WeakPolarHBondContact O-CG 3.21Å; V305-M309 PolarHBondContact O-N 3.25Å; A306-M309 PolarHBondContact O-N 3Å; M309-N313 WeakPolarHBondContact O-CA 3.14Å; M309-N313 PolarHBondContact O-N 2.95Å; M309-L314 WeakPolarHBondContact CA-O 3.36Å; M309-L314 WeakPolarHBondContact CB-O 3.14Å; M309-L314 WeakPolarHBondContact CG-O 3.47Å; M309-L314 PolarHBondContact O-N 2.91Å; M309-L316 HydrophobicContact CE-CB 4.15Å; M309-L316 HydrophobicContact SD-CB 4.3Å; M309-L316 HydrophobicContact SD-CD1 3.96Å; M309-A319 HydrophobicContact CG-CB 3.58Å; M309-L340 HydrophobicContact SD-CD2 4.01Å; M309-F343 HydrophobicContact CE-CD1 4.07Å; M309-F343 HydrophobicContact SD-CD1 4.45Å; M309-E344 HydrophobicContact CE-CB 3.47Å; M309-E344 VanDerWaalsContact CE-CB 3.47Å; M309-E344 HydrophobicContact CE-CG 4.01Å; M309-L347 HydrophobicContact CB-CD1 4.01Å; M309-L349 HydrophobicContact CB-CD1 4.36Å
310Q98Very high97.6Very high83 Ų8330.2 Ų30.239%0.38815%0.151SC..Hα-helixtrans-71.8-41.5-178.8-175.2169-6.200112.6I276 A306 Y307 L308 F343 L347I276-Q310 HydrophobicContact CD1-CB 4.07Å; A306-Q310 PolarHBondContact O-N 3.3Å; Y307-Q310 PolarHBondContact O-N 3.07Å; L308-Q310 PolarHBondContact O-N 2.95Å; Q310-F343 HydrophobicContact CB-CE1 4.38Å; Q310-F343 HydrophobicContact CB-CZ 4.27Å; Q310-L347 HydrophobicContact CB-CD1 4.14Å; Q310-L347 HydrophobicContact CB-CD2 4.4Å; Q310-L347 HydrophobicContact CG-CD2 4.21Å
311K97.4Very high97.5Very high93 Ų9333.7 Ų33.740%0.40417%0.17SC..Hα-helixtrans-80.2-33.8-171.4-168.463.1171-168.20113.6D280 Y307D280-K311 WeakPolarHBondContact OD1-CE 3.38Å; D280-K311 IonicContact OD1-NZ 3.68Å; D280-K311 PolarHBondContact OD1-NZ 3.38Å; D280-K311 IonicContact OD2-NZ 2.76Å; D280-K311 PolarHBondContact OD2-NZ 3.42Å; Y307-K311 HydrophobicContact CD1-CB 4.44Å; Y307-K311 HydrophobicContact CE1-CB 4.05Å; Y307-K311 HydrophobicContact CE1-CG 4.14Å; Y307-K311 HydrophobicContact CE2-CB 4.21Å; Y307-K311 HydrophobicContact CE2-CG 4.35Å; Y307-K311 WeakPolarHBondContact O-CB 3.44Å; Y307-K311 PolarHBondContact O-N 2.85Å
312L96.3Very high97.4Very high75 Ų7536 Ų3639%0.39318%0.18SC..Hα-helixtrans-111.65.2-175.8-57-177.1000112.6L211 L308 L314L211-L312 HydrophobicContact CD1-CD1 4.21Å; L211-L312 HydrophobicContact CD2-CD1 4.36Å; L308-L312 HydrophobicContact CD2-CD1 3.87Å; L308-L312 WeakPolarHBondContact O-CB 3.27Å; L308-L312 PolarHBondContact O-N 2.92Å; L312-L314 HydrophobicContact CB-CD1 4.05Å; L312-L314 HydrophobicContact CB-CG 3.81Å; L312-L314 HydrophobicContact CD1-CD1 4.09Å; L312-L314 PolarHBondContact O-N 3.04Å
313N96.2Very high97.4Very high120 Ų12036 Ų3664%0.64218%0.18SC*.  trans53.437.5-176.9-6297.3000112.7M309 L349M309-N313 WeakPolarHBondContact O-CA 3.14Å; M309-N313 PolarHBondContact O-N 2.95Å; N313-L349 HydrophobicContact CB-CD2 4.23Å
314L96.1Very high97.1Very high42 Ų4239.5 Ų39.522%0.2220%0.195CC..  trans-87.6140.1179.3-66.6179.1000110.9L308 M309 L312 D318 A319 L349L308-L314 HydrophobicContact CB-CD1 4.49Å; M309-L314 WeakPolarHBondContact CA-O 3.36Å; M309-L314 WeakPolarHBondContact CB-O 3.14Å; M309-L314 WeakPolarHBondContact CG-O 3.47Å; M309-L314 PolarHBondContact O-N 2.91Å; L312-L314 HydrophobicContact CB-CD1 4.05Å; L312-L314 HydrophobicContact CB-CG 3.81Å; L312-L314 HydrophobicContact CD1-CD1 4.09Å; L312-L314 PolarHBondContact O-N 3.04Å; L314-D318 HydrophobicContact CB-CB 4.2Å; L314-D318 HydrophobicContact CD2-CB 4.22Å; L314-A319 HydrophobicContact CB-CB 4.02Å; L314-A319 HydrophobicContact CD1-CB 4.47Å; L314-L349 VanDerWaalsContact O-CD1 3.27Å; L314-L349 WeakPolarHBondContact O-CD1 3.43Å
315S96.7Very high96.9Very high7 Ų748 Ų485%0.04923%0.227CC..  trans-56.2159.7166.173.30000110.5N317 D318 A319 E344S315-N317 PolarHBondContact O-N 3.07Å; S315-D318 PolarHBondContact O-N 3.34Å; S315-D318 WeakPolarHBondContact OG-CB 3.16Å; S315-D318 PolarHBondContact OG-N 2.8Å; S315-D318 VanDerWaalsContact OG-N 3.09Å; S315-D318 PolarHBondContact OG-OD2 2.79Å; S315-A319 VanDerWaalsContact O-CB 3.3Å; S315-A319 WeakPolarHBondContact O-CB 3.4Å; S315-A319 PolarHBondContact O-N 3.43Å; S315-E344 VanDerWaalsContact CA-OE1 3.23Å; S315-E344 WeakPolarHBondContact CA-OE1 3.28Å; S315-E344 VanDerWaalsContact CB-OE1 3.26Å; S315-E344 WeakPolarHBondContact CB-OE1 2.93Å
316L97.6Very high96.7Very high4 Ų451.7 Ų51.72%0.02124%0.243CC..Hα-helixtrans-54.8-45.4174.7171.255.5000110.8V305 M309 A319 Y320 M337 L340 L341 E344V305-L316 HydrophobicContact CG1-CD1 3.7Å; M309-L316 HydrophobicContact CE-CB 4.15Å; M309-L316 HydrophobicContact SD-CB 4.3Å; M309-L316 HydrophobicContact SD-CD1 3.96Å; L316-A319 PolarHBondContact O-N 2.87Å; L316-Y320 WeakPolarHBondContact O-CB 3.47Å; L316-Y320 PolarHBondContact O-N 2.99Å; L316-M337 HydrophobicContact CD1-SD 4.17Å; L316-M337 HydrophobicContact CD2-SD 3.94Å; L316-M337 HydrophobicContact CG-SD 4.38Å; L316-L340 HydrophobicContact CD1-CB 3.66Å; L316-L340 HydrophobicContact CD1-CD1 3.89Å; L316-L340 HydrophobicContact CD1-CG 4.28Å; L316-L340 HydrophobicContact CD2-CB 4.03Å; L316-L340 HydrophobicContact CG-CB 4.49Å; L316-L341 HydrophobicContact CD2-CB 4.35Å; L316-L341 HydrophobicContact CD2-CD2 3.54Å; L316-L341 HydrophobicContact CD2-CG 3.55Å; L316-E344 HydrophobicContact CB-CG 4.49Å; L316-E344 PolarHBondContact N-OE1 3.44Å
317N93.7Very high96.4Very high82 Ų8251.9 Ų51.944%0.43924%0.244SC..Hα-helixtrans-61-48.3-179.9-67.1-41.5000111.2S315 A319 Y320 D321 S351S315-N317 PolarHBondContact O-N 3.07Å; N317-A319 PolarHBondContact O-N 3.29Å; N317-Y320 PolarHBondContact O-N 3.24Å; N317-D321 WeakPolarHBondContact O-CB 3.26Å; N317-D321 PolarHBondContact O-N 2.88Å; N317-S351 PolarHBondContact ND2-OG 3.02Å
318D95.4Very high95.9Very high80 Ų8056.4 Ų56.443%0.42828%0.275SS..Hα-helixtrans-65.3-42.1-179.6-65.7-44.7000112.1L314 S315 F322L314-D318 HydrophobicContact CB-CB 4.2Å; L314-D318 HydrophobicContact CD2-CB 4.22Å; S315-D318 PolarHBondContact O-N 3.34Å; S315-D318 WeakPolarHBondContact OG-CB 3.16Å; S315-D318 PolarHBondContact OG-N 2.8Å; S315-D318 VanDerWaalsContact OG-N 3.09Å; S315-D318 PolarHBondContact OG-OD2 2.79Å; D318-F322 WeakPolarHBondContact O-CB 3.38Å; D318-F322 PolarHBondContact O-N 3.31Å
319A98Very high95.4Very high0 Ų060.1 Ų60.10%030%0.296CS..Hα-helixtrans-66.2-42.3177.800000111.7V305 L308 M309 L314 S315 L316 N317 F322 V323V305-A319 HydrophobicContact CG1-CB 3.92Å; L308-A319 HydrophobicContact CB-CB 3.99Å; M309-A319 HydrophobicContact CG-CB 3.58Å; L314-A319 HydrophobicContact CB-CB 4.02Å; L314-A319 HydrophobicContact CD1-CB 4.47Å; S315-A319 VanDerWaalsContact O-CB 3.3Å; S315-A319 WeakPolarHBondContact O-CB 3.4Å; S315-A319 PolarHBondContact O-N 3.43Å; L316-A319 PolarHBondContact O-N 2.87Å; N317-A319 PolarHBondContact O-N 3.29Å; A319-F322 WeakPolarHBondContact O-CB 3.26Å; A319-F322 PolarHBondContact O-N 3.46Å; A319-V323 WeakPolarHBondContact O-CG2 3.2Å; A319-V323 PolarHBondContact O-N 3.5Å
320Y97.3Very high95.1Very high47 Ų4760.2 Ų60.218%0.18430%0.296CS..Hα-helixtrans-63.1-50.1175.9-178-94.1000111.3L316 N317 F322 V323 K324 I330 P332 M337L316-Y320 WeakPolarHBondContact O-CB 3.47Å; L316-Y320 PolarHBondContact O-N 2.99Å; N317-Y320 PolarHBondContact O-N 3.24Å; Y320-F322 VanDerWaalsContact C-N 3.26Å; Y320-F322 PolarHBondContact O-N 3.39Å; Y320-V323 PolarHBondContact O-N 3.02Å; Y320-V323 VanDerWaalsContact O-N 3.1Å; Y320-K324 HydrophobicContact CE1-CB 4.49Å; Y320-K324 HydrophobicContact CE1-CD 4.46Å; Y320-K324 WeakPolarHBondContact O-CB 3.34Å; Y320-K324 PolarHBondContact O-N 2.96Å; Y320-I330 HydrophobicContact CD2-CD1 4.01Å; Y320-I330 HydrophobicContact CE1-CD1 4.35Å; Y320-I330 HydrophobicContact CE2-CD1 3.66Å; Y320-I330 HydrophobicContact CE2-CG1 4.19Å; Y320-I330 HydrophobicContact CG-CD1 4.48Å; Y320-I330 PolarHBondContact OH-O 2.87Å; Y320-P332 HydrophobicContact CE2-CG 3.98Å; Y320-M337 HydrophobicContact CD2-CE 3.83Å; Y320-M337 HydrophobicContact CE2-CE 3.73Å
321D95.6Very high94.8Very high74 Ų7459.3 Ų59.340%0.39630%0.299SS..Hα-helixtrans-64.3-33.8179.6-76.8-12.2000111.9N317 V323 K324 R325N317-D321 WeakPolarHBondContact O-CB 3.26Å; N317-D321 PolarHBondContact O-N 2.88Å; D321-V323 VanDerWaalsContact C-N 3.33Å; D321-V323 PolarHBondContact O-N 2.9Å; D321-K324 PolarHBondContact O-N 3.33Å; D321-R325 WeakPolarHBondContact O-CG 3.45Å; D321-R325 PolarHBondContact O-N 3.02Å
322F97.5Very high94.5Very high49 Ų4955.4 Ų55.422%0.21528%0.283CS..Hα-helixtrans-57.9-46.1172.5-174.5-79.6000111.7I210 L211 L308 D318 A319 Y320 K326I210-F322 HydrophobicContact CG2-CD1 4.26Å; I210-F322 HydrophobicContact CG2-CE1 3.9Å; I210-F322 VanDerWaalsContact O-CE1 3.32Å; I210-F322 WeakPolarHBondContact O-CE1 3.13Å; L211-F322 HydrophobicContact CD2-CE1 4.27Å; L211-F322 HydrophobicContact CD2-CZ 3.91Å; L308-F322 HydrophobicContact CD1-CB 4.44Å; L308-F322 HydrophobicContact CD1-CD1 3.66Å; L308-F322 HydrophobicContact CD1-CE1 4.31Å; L308-F322 HydrophobicContact CD1-CG 4.31Å; D318-F322 WeakPolarHBondContact O-CB 3.38Å; D318-F322 PolarHBondContact O-N 3.31Å; A319-F322 WeakPolarHBondContact O-CB 3.26Å; A319-F322 PolarHBondContact O-N 3.46Å; Y320-F322 VanDerWaalsContact C-N 3.26Å; Y320-F322 PolarHBondContact O-N 3.39Å; F322-K326 HydrophobicContact CE1-CD 4.15Å
323V97.7Very high94.2Very high0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-70.6-41.2176.2-175.50000110.5I210 L216 V301 T304 V305 L308 A319 Y320 D321 R325 K326 K327 I330I210-V323 HydrophobicContact CD1-CG1 4.05Å; I210-V323 HydrophobicContact CG2-CG2 4.45Å; L216-V323 HydrophobicContact CD2-CG1 3.8Å; V301-V323 HydrophobicContact CG1-CG1 4.43Å; T304-V323 HydrophobicContact CG2-CG2 4.1Å; V305-V323 HydrophobicContact CG2-CB 4.5Å; V305-V323 HydrophobicContact CG2-CG2 3.96Å; L308-V323 HydrophobicContact CD1-CG2 3.54Å; A319-V323 WeakPolarHBondContact O-CG2 3.2Å; A319-V323 PolarHBondContact O-N 3.5Å; Y320-V323 PolarHBondContact O-N 3.02Å; Y320-V323 VanDerWaalsContact O-N 3.1Å; D321-V323 VanDerWaalsContact C-N 3.33Å; D321-V323 PolarHBondContact O-N 2.9Å; V323-R325 VanDerWaalsContact C-N 3.34Å; V323-R325 PolarHBondContact O-N 3.02Å; V323-K326 PolarHBondContact O-N 2.54Å; V323-K327 PolarHBondContact O-N 3Å; V323-I330 HydrophobicContact CB-CD1 3.9Å; V323-I330 HydrophobicContact CG1-CD1 3.89Å; V323-I330 HydrophobicContact CG1-CG2 3.91Å
324K94Very high93.5Very high74 Ų7452.4 Ų52.432%0.32226%0.263SS..Hα-helixtrans-59.2-41.1-178.9-168.866.7164.8-175.20112.8Y320 D321 K326 K327 S328 I330Y320-K324 HydrophobicContact CE1-CB 4.49Å; Y320-K324 HydrophobicContact CE1-CD 4.46Å; Y320-K324 WeakPolarHBondContact O-CB 3.34Å; Y320-K324 PolarHBondContact O-N 2.96Å; D321-K324 PolarHBondContact O-N 3.33Å; K324-K326 PolarHBondContact O-N 2.86Å; K324-K327 CarbonylContact O-C 3.59Å; K324-K327 PolarHBondContact O-N 3.27Å; K324-S328 WeakPolarHBondContact CD-O 3.48Å; K324-S328 WeakPolarHBondContact CE-O 3.31Å; K324-S328 PolarHBondContact NZ-O 3.02Å; K324-S328 WeakPolarHBondContact O-CA 3.22Å; K324-S328 PolarHBondContact O-N 3.38Å; K324-I330 HydrophobicContact CB-CD1 3.9Å; K324-I330 HydrophobicContact CB-CG1 4.24Å; K324-I330 HydrophobicContact CD-CD1 4.05Å; K324-I330 HydrophobicContact CD-CG1 3.44Å; K324-I330 VanDerWaalsContact CD-CG1 3.44Å; K324-I330 HydrophobicContact CG-CG1 4.46Å; K324-I330 PolarHBondContact NZ-O 3.46Å
325R94.2Very high93.2Very high178 Ų17852.2 Ų52.267%0.67226%0.262SS*.Hα-helixtrans-62.5-27.5176.3-75.8-173.3-63.7-912.9113.1D321 V323D321-R325 WeakPolarHBondContact O-CG 3.45Å; D321-R325 PolarHBondContact O-N 3.02Å; V323-R325 VanDerWaalsContact C-N 3.34Å; V323-R325 PolarHBondContact O-N 3.02Å
326K94.8Very high93.2Very high77 Ų7751.9 Ų51.934%0.33526%0.26SS..Hα-helixtrans-92.9-29.5178.5-65.6-172.5163.3-153.30113V208 Q209 I210 F322 V323 K324V208-K326 HydrophobicContact CG1-CB 3.87Å; Q209-K326 WeakPolarHBondContact O-CD 3.41Å; Q209-K326 PolarHBondContact O-NZ 3.44Å; I210-K326 HydrophobicContact CD1-CB 4.27Å; I210-K326 HydrophobicContact CD1-CD 4.22Å; I210-K326 PolarHBondContact O-NZ 3.24Å; F322-K326 HydrophobicContact CE1-CD 4.15Å; V323-K326 PolarHBondContact O-N 2.54Å; K324-K326 PolarHBondContact O-N 2.86Å
327K91.1Very high93.1Very high5 Ų554 Ų542%0.02227%0.27CS..  trans-140.399.6179.1-177.9170.9168.457.10109.4F206 V208 L216 G296 V323 K324 N329 I330F206-K327 HydrophobicContact CE1-CD 4.2Å; F206-K327 VanDerWaalsContact CE1-NZ 3.33Å; V208-K327 HydrophobicContact CG2-CB 4.39Å; V208-K327 HydrophobicContact CG2-CD 4.37Å; L216-K327 HydrophobicContact CD2-CD 3.93Å; L216-K327 HydrophobicContact CG-CD 4.45Å; G296-K327 WeakPolarHBondContact O-CE 3.45Å; V323-K327 PolarHBondContact O-N 3Å; K324-K327 CarbonylContact O-C 3.59Å; K324-K327 PolarHBondContact O-N 3.27Å; K327-N329 VanDerWaalsContact C-N 3.29Å; K327-N329 WeakPolarHBondContact CE-OD1 3.22Å; K327-N329 VanDerWaalsContact CG-OD1 3.23Å; K327-N329 WeakPolarHBondContact CG-OD1 3.41Å; K327-N329 PolarHBondContact NZ-OD1 3.3Å; K327-N329 PolarHBondContact O-N 2.9Å; K327-I330 HydrophobicContact CB-CG2 3.95Å; K327-I330 HydrophobicContact CD-CG2 3.92Å; K327-I330 HydrophobicContact CG-CG2 3.78Å; K327-I330 WeakPolarHBondContact O-CG2 3.38Å; K327-I330 PolarHBondContact O-N 2.62Å
328S90.3Very high92.7Very high94 Ų9451.4 Ų51.466%0.65726%0.263SS*.THydrogen-bonded Turntrans-68.2-24-17257.80000114.1K324K324-S328 WeakPolarHBondContact CD-O 3.48Å; K324-S328 WeakPolarHBondContact CE-O 3.31Å; K324-S328 PolarHBondContact NZ-O 3.02Å; K324-S328 WeakPolarHBondContact O-CA 3.22Å; K324-S328 PolarHBondContact O-N 3.38Å
329N86.7Confident92.7Very high79 Ų7948.5 Ų48.542%0.42225%0.247SC..THydrogen-bonded Turntrans-92.315.6-178.372.8-24.2000114.4K327K327-N329 VanDerWaalsContact C-N 3.29Å; K327-N329 WeakPolarHBondContact CE-OD1 3.22Å; K327-N329 VanDerWaalsContact CG-OD1 3.23Å; K327-N329 WeakPolarHBondContact CG-OD1 3.41Å; K327-N329 PolarHBondContact NZ-OD1 3.3Å; K327-N329 PolarHBondContact O-N 2.9Å
330I93.7Very high92.7Very high1 Ų148.5 Ų48.51%0.00525%0.247CC..  trans-64.2140.3172.166.3167.6000111.3V301 Y320 V323 K324 K327V301-I330 HydrophobicContact CB-CG2 4.41Å; V301-I330 HydrophobicContact CG1-CB 3.91Å; V301-I330 HydrophobicContact CG1-CD1 3.99Å; V301-I330 HydrophobicContact CG1-CG2 4.03Å; V301-I330 HydrophobicContact CG2-CB 3.9Å; V301-I330 HydrophobicContact CG2-CG2 3.45Å; V301-I330 VanDerWaalsContact CG2-CG2 3.45Å; Y320-I330 HydrophobicContact CD2-CD1 4.01Å; Y320-I330 HydrophobicContact CE1-CD1 4.35Å; Y320-I330 HydrophobicContact CE2-CD1 3.66Å; Y320-I330 HydrophobicContact CE2-CG1 4.19Å; Y320-I330 HydrophobicContact CG-CD1 4.48Å; Y320-I330 PolarHBondContact OH-O 2.87Å; V323-I330 HydrophobicContact CB-CD1 3.9Å; V323-I330 HydrophobicContact CG1-CD1 3.89Å; V323-I330 HydrophobicContact CG1-CG2 3.91Å; K324-I330 HydrophobicContact CB-CD1 3.9Å; K324-I330 HydrophobicContact CB-CG1 4.24Å; K324-I330 HydrophobicContact CD-CD1 4.05Å; K324-I330 HydrophobicContact CD-CG1 3.44Å; K324-I330 VanDerWaalsContact CD-CG1 3.44Å; K324-I330 HydrophobicContact CG-CG1 4.46Å; K324-I330 PolarHBondContact NZ-O 3.46Å; K327-I330 HydrophobicContact CB-CG2 3.95Å; K327-I330 HydrophobicContact CD-CG2 3.92Å; K327-I330 HydrophobicContact CG-CG2 3.78Å; K327-I330 WeakPolarHBondContact O-CG2 3.38Å; K327-I330 PolarHBondContact O-N 2.62Å
331S89.9Confident92.6Very high65 Ų6550.3 Ų50.346%0.45526%0.259SS..  trans-160.378.3179.3-167.50000110.2I297 S298I297-S331 CarbonylContact O-C 3.47Å; I297-S331 PolarHBondContact O-N 3.24Å; S298-S331 WeakPolarHBondContact CB-O 3.44Å
332P91.9Very high92.6Very high11 Ų1150.8 Ų50.87%0.07126%0.262CS..  trans-54.5137.2168.3-23.735.4000111.5V301 Y320 F334 M337V301-P332 HydrophobicContact CB-CG 4.26Å; V301-P332 HydrophobicContact CG1-CG 3.69Å; Y320-P332 HydrophobicContact CE2-CG 3.98Å; P332-F334 PolarHBondContact O-N 3.28Å; P332-M337 HydrophobicContact CB-CE 4.21Å; P332-M337 HydrophobicContact CG-CE 4.14Å
333N89.9Confident92.6Very high33 Ų3349.6 Ų49.618%0.17626%0.257CS..  trans-55.2142171.4-176-29.6000110.2S298 N335 F336 M337S298-N333 PolarHBondContact OG-N 3.08Å; N333-N335 PolarHBondContact O-N 2.87Å; N333-N335 PolarHBondContact OD1-N 3.46Å; N333-F336 HydrophobicContact CB-CD2 3.97Å; N333-F336 HydrophobicContact CB-CE2 4.4Å; N333-F336 WeakPolarHBondContact O-CA 3.36Å; N333-F336 WeakPolarHBondContact O-CB 3.47Å; N333-F336 PolarHBondContact O-N 3.44Å; N333-M337 PolarHBondContact O-N 3.37Å
334F81.3Confident92.5Very high98 Ų9850.5 Ų50.543%0.4326%0.261SS..Hα-helixtrans-49.3-35.6-179.570.5-92.6000113.7W264 P332 M337 G338W264-F334 HydrophobicContact CB-CE1 4.08Å; W264-F334 HydrophobicContact CB-CE2 4.21Å; W264-F334 HydrophobicContact CB-CZ 3.44Å; W264-F334 VanDerWaalsContact CB-CZ 3.44Å; W264-F334 HydrophobicContact CG-CZ 4.34Å; P332-F334 PolarHBondContact O-N 3.28Å; F334-M337 WeakPolarHBondContact O-CB 3.46Å; F334-M337 PolarHBondContact O-N 3.08Å; F334-G338 PolarHBondContact O-N 3.23Å
335N89.9Confident92.5Very high38 Ų3855.5 Ų55.520%0.20328%0.277CS..Hα-helixtrans-65.7-41.6176.9172.455.6000111.7W264 Q266 N333 M337 G338 Q339W264-N335 HydrophobicContact CB-CB 4.3Å; W264-N335 PolarHBondContact O-ND2 2.95Å; W264-N335 VanDerWaalsContact O-ND2 3.07Å; W264-N335 PolarHBondContact O-OD1 3.37Å; Q266-N335 PolarHBondContact O-ND2 3.48Å; N333-N335 PolarHBondContact O-N 2.87Å; N333-N335 PolarHBondContact OD1-N 3.46Å; N335-M337 VanDerWaalsContact C-N 3.34Å; N335-G338 PolarHBondContact O-N 2.98Å; N335-Q339 PolarHBondContact ND2-NE2 2.91Å; N335-Q339 WeakPolarHBondContact O-CG 3.25Å; N335-Q339 PolarHBondContact O-N 3.29Å; N335-Q339 PolarHBondContact OD1-NE2 2.91Å
336F96.9Very high92.6Very high0 Ų052.2 Ų52.20%028%0.277CS..Hα-helixtrans-69.9-33175.2-63.1-30.8000112.2I260 D262 Q266 L268 R299 T302 N333 G338 Q339 L340I260-F336 HydrophobicContact CG2-CE1 4.38Å; I260-F336 HydrophobicContact CG2-CZ 3.95Å; D262-F336 WeakPolarHBondContact OD1-CE2 3.12Å; Q266-F336 HydrophobicContact CB-CE1 4.15Å; Q266-F336 HydrophobicContact CB-CZ 4.28Å; L268-F336 HydrophobicContact CB-CD1 3.75Å; L268-F336 HydrophobicContact CB-CE1 3.57Å; L268-F336 HydrophobicContact CB-CZ 4.32Å; L268-F336 HydrophobicContact CD2-CD1 4.14Å; L268-F336 HydrophobicContact CD2-CD2 4.36Å; L268-F336 HydrophobicContact CD2-CE1 4.14Å; L268-F336 HydrophobicContact CD2-CE2 4.35Å; L268-F336 HydrophobicContact CD2-CG 4.27Å; L268-F336 HydrophobicContact CD2-CZ 4.24Å; R299-F336 HydrophobicContact CG-CD2 4.46Å; R299-F336 HydrophobicContact CG-CE2 3.58Å; R299-F336 HydrophobicContact CG-CZ 4.1Å; T302-F336 HydrophobicContact CG2-CB 3.77Å; T302-F336 HydrophobicContact CG2-CG 4.37Å; T302-F336 WeakPolarHBondContact OG1-CB 3.17Å; N333-F336 HydrophobicContact CB-CD2 3.97Å; N333-F336 HydrophobicContact CB-CE2 4.4Å; N333-F336 WeakPolarHBondContact O-CA 3.36Å; N333-F336 WeakPolarHBondContact O-CB 3.47Å; N333-F336 PolarHBondContact O-N 3.44Å; F336-G338 VanDerWaalsContact C-N 3.35Å; F336-Q339 PolarHBondContact O-N 2.98Å; F336-L340 WeakPolarHBondContact O-CG 3.38Å; F336-L340 PolarHBondContact O-N 3.3Å
337M96.1Very high92.6Very high49 Ų4951.1 Ų51.124%0.24128%0.275CS..Hα-helixtrans-62.1-42.8170.7-167.759.86900111.6L316 Y320 P332 N333 F334 N335 Q339 L340 L341L316-M337 HydrophobicContact CD1-SD 4.17Å; L316-M337 HydrophobicContact CD2-SD 3.94Å; L316-M337 HydrophobicContact CG-SD 4.38Å; Y320-M337 HydrophobicContact CD2-CE 3.83Å; Y320-M337 HydrophobicContact CE2-CE 3.73Å; P332-M337 HydrophobicContact CB-CE 4.21Å; P332-M337 HydrophobicContact CG-CE 4.14Å; N333-M337 PolarHBondContact O-N 3.37Å; F334-M337 WeakPolarHBondContact O-CB 3.46Å; F334-M337 PolarHBondContact O-N 3.08Å; N335-M337 VanDerWaalsContact C-N 3.34Å; M337-Q339 VanDerWaalsContact C-N 3.33Å; M337-Q339 PolarHBondContact O-N 2.92Å; M337-L340 PolarHBondContact O-N 2.89Å; M337-L340 HydrophobicContact SD-CD1 4.41Å; M337-L341 PolarHBondContact O-N 3.45Å
338G84.5Confident92.6Very high28 Ų2853.6 Ų53.629%0.28930%0.302SS..Hα-helixtrans-61-40.5173.200000113F334 N335 F336 L340 L341 D342F334-G338 PolarHBondContact O-N 3.23Å; N335-G338 PolarHBondContact O-N 2.98Å; F336-G338 VanDerWaalsContact C-N 3.35Å; G338-L340 VanDerWaalsContact C-N 3.34Å; G338-L340 PolarHBondContact O-N 3.01Å; G338-L341 WeakPolarHBondContact O-CB 3.43Å; G338-L341 PolarHBondContact O-N 3Å; G338-D342 PolarHBondContact O-N 2.89Å
339Q96.6Very high92.4Very high18 Ų1850.4 Ų50.48%0.08428%0.277CS..Hα-helixtrans-66.1-34.3175.2-74.4171.937.300113.2Q266 N335 F336 M337 F343Q266-Q339 PolarHBondContact O-NE2 2.91Å; N335-Q339 PolarHBondContact ND2-NE2 2.91Å; N335-Q339 WeakPolarHBondContact O-CG 3.25Å; N335-Q339 PolarHBondContact O-N 3.29Å; N335-Q339 PolarHBondContact OD1-NE2 2.91Å; F336-Q339 PolarHBondContact O-N 2.98Å; M337-Q339 VanDerWaalsContact C-N 3.33Å; M337-Q339 PolarHBondContact O-N 2.92Å; Q339-F343 WeakPolarHBondContact O-CB 3.3Å; Q339-F343 PolarHBondContact O-N 3.24Å
340L97.9Very high91.6Very high0 Ų053.1 Ų53.10%029%0.292CS..Hα-helixtrans-68.3-39172.9-74.2169.6000111.9F272 T302 V305 A306 M309 L316 F336 M337 G338 F343 E344F272-L340 HydrophobicContact CE2-CD2 4.06Å; F272-L340 HydrophobicContact CZ-CD2 3.89Å; F272-L340 HydrophobicContact CZ-CG 4.46Å; T302-L340 HydrophobicContact CG2-CD1 3.86Å; T302-L340 HydrophobicContact CG2-CD2 4.06Å; T302-L340 HydrophobicContact CG2-CG 3.83Å; V305-L340 HydrophobicContact CB-CD1 4.22Å; V305-L340 HydrophobicContact CB-CD2 4.45Å; V305-L340 HydrophobicContact CG1-CD1 3.93Å; V305-L340 HydrophobicContact CG1-CD2 4.18Å; A306-L340 HydrophobicContact CB-CD2 3.77Å; M309-L340 HydrophobicContact SD-CD2 4.01Å; L316-L340 HydrophobicContact CD1-CB 3.66Å; L316-L340 HydrophobicContact CD1-CD1 3.89Å; L316-L340 HydrophobicContact CD1-CG 4.28Å; L316-L340 HydrophobicContact CD2-CB 4.03Å; L316-L340 HydrophobicContact CG-CB 4.49Å; F336-L340 WeakPolarHBondContact O-CG 3.38Å; F336-L340 PolarHBondContact O-N 3.3Å; M337-L340 PolarHBondContact O-N 2.89Å; M337-L340 HydrophobicContact SD-CD1 4.41Å; G338-L340 VanDerWaalsContact C-N 3.34Å; G338-L340 PolarHBondContact O-N 3.01Å; L340-F343 WeakPolarHBondContact O-CB 3.35Å; L340-F343 PolarHBondContact O-N 2.83Å; L340-E344 PolarHBondContact O-N 2.97Å
341L95Very high90.1Very high86 Ų8653.7 Ų53.745%0.4530%0.296SS..Hα-helixtrans-60.8-44.7173.4-76.7164.2000111.6L316 M337 G338 F343 E344 R345L316-L341 HydrophobicContact CD2-CB 4.35Å; L316-L341 HydrophobicContact CD2-CD2 3.54Å; L316-L341 HydrophobicContact CD2-CG 3.55Å; M337-L341 PolarHBondContact O-N 3.45Å; G338-L341 WeakPolarHBondContact O-CB 3.43Å; G338-L341 PolarHBondContact O-N 3Å; L341-F343 VanDerWaalsContact C-N 3.31Å; L341-F343 PolarHBondContact O-N 3.22Å; L341-E344 WeakPolarHBondContact O-CB 3.28Å; L341-E344 PolarHBondContact O-N 3.39Å; L341-R345 PolarHBondContact O-N 2.92Å
342D93.9Very high88.4Confident84 Ų8456.3 Ų56.345%0.44931%0.311SS..Hα-helixtrans-65-38.3175.1-74.3-33.5000111.3G338 R345 T346G338-D342 PolarHBondContact O-N 2.89Å; D342-R345 WeakPolarHBondContact O-CB 3.32Å; D342-R345 PolarHBondContact O-N 3.32Å; D342-R345 IonicContact OD1-CZ 3.61Å; D342-R345 IonicContact OD1-NH1 3.63Å; D342-R345 PolarHBondContact OD1-NH1 2.89Å; D342-R345 IonicContact OD1-NH2 3.44Å; D342-T346 WeakPolarHBondContact O-CG2 3.45Å; D342-T346 PolarHBondContact O-N 3.44Å; D342-T346 VanDerWaalsContact O-N 3.08Å
343F97.8Very high86.4Confident24 Ų2460.4 Ų60.411%0.10534%0.339CS..Hα-helixtrans-64.2-42.2175.8-173.8-121.5000112.6F272 I276 A306 M309 Q310 Q339 L340 L341 R345 T346 L347F272-F343 HydrophobicContact CB-CE2 4.42Å; F272-F343 HydrophobicContact CB-CZ 4.4Å; F272-F343 HydrophobicContact CD2-CB 4.13Å; F272-F343 AromaticContact CD2-CD1 3.85Å; F272-F343 HydrophobicContact CD2-CD1 3.85Å; F272-F343 AromaticContact CD2-CD2 3.82Å; F272-F343 HydrophobicContact CD2-CD2 3.82Å; F272-F343 HydrophobicContact CD2-CE1 4.15Å; F272-F343 HydrophobicContact CD2-CE2 4.14Å; F272-F343 AromaticContact CD2-CG 3.67Å; F272-F343 HydrophobicContact CD2-CG 3.67Å; F272-F343 HydrophobicContact CD2-CZ 4.29Å; F272-F343 HydrophobicContact CE2-CB 3.94Å; F272-F343 HydrophobicContact CE2-CD1 4.1Å; F272-F343 HydrophobicContact CE2-CD2 4.48Å; F272-F343 AromaticContact CE2-CG 3.94Å; F272-F343 HydrophobicContact CE2-CG 3.94Å; I276-F343 HydrophobicContact CD1-CE1 4.39Å; I276-F343 HydrophobicContact CD1-CZ 4.06Å; A306-F343 HydrophobicContact CB-CD1 4.08Å; A306-F343 HydrophobicContact CB-CE1 3.93Å; M309-F343 HydrophobicContact CE-CD1 4.07Å; M309-F343 HydrophobicContact SD-CD1 4.45Å; Q310-F343 HydrophobicContact CB-CE1 4.38Å; Q310-F343 HydrophobicContact CB-CZ 4.27Å; Q339-F343 WeakPolarHBondContact O-CB 3.3Å; Q339-F343 PolarHBondContact O-N 3.24Å; L340-F343 WeakPolarHBondContact O-CB 3.35Å; L340-F343 PolarHBondContact O-N 2.83Å; L341-F343 VanDerWaalsContact C-N 3.31Å; L341-F343 PolarHBondContact O-N 3.22Å; F343-R345 VanDerWaalsContact C-N 3.27Å; F343-R345 PolarHBondContact O-N 3.01Å; F343-T346 WeakPolarHBondContact CA-OG1 3.46Å; F343-T346 WeakPolarHBondContact CD2-OG1 3.25Å; F343-T346 PolarHBondContact O-N 3.24Å; F343-T346 PolarHBondContact O-OG1 3.16Å; F343-L347 HydrophobicContact CD1-CD1 3.98Å; F343-L347 HydrophobicContact CE1-CD1 3.59Å; F343-L347 HydrophobicContact CE1-CG 4.22Å; F343-L347 HydrophobicContact CE2-CD2 4.22Å; F343-L347 HydrophobicContact CE2-CG 4.3Å; F343-L347 HydrophobicContact CZ-CD1 3.91Å; F343-L347 HydrophobicContact CZ-CD2 4.03Å; F343-L347 HydrophobicContact CZ-CG 4.12Å; F343-L347 WeakPolarHBondContact O-CG 3.43Å; F343-L347 PolarHBondContact O-N 3.43Å
344E97.1Very high84.5Confident18 Ų1863.6 Ų63.68%0.08436%0.356CS..Hα-helixtrans-53.2-46173-168.8178.9-147.500111.3M309 S315 L316 L340 L341 T346 L347 G348 L349 S351M309-E344 HydrophobicContact CE-CB 3.47Å; M309-E344 VanDerWaalsContact CE-CB 3.47Å; M309-E344 HydrophobicContact CE-CG 4.01Å; S315-E344 VanDerWaalsContact CA-OE1 3.23Å; S315-E344 WeakPolarHBondContact CA-OE1 3.28Å; S315-E344 VanDerWaalsContact CB-OE1 3.26Å; S315-E344 WeakPolarHBondContact CB-OE1 2.93Å; L316-E344 HydrophobicContact CB-CG 4.49Å; L316-E344 PolarHBondContact N-OE1 3.44Å; L340-E344 PolarHBondContact O-N 2.97Å; L341-E344 WeakPolarHBondContact O-CB 3.28Å; L341-E344 PolarHBondContact O-N 3.39Å; E344-T346 VanDerWaalsContact C-N 3.35Å; E344-T346 PolarHBondContact O-N 2.66Å; E344-L347 PolarHBondContact O-N 3.36Å; E344-L347 VanDerWaalsContact O-N 3.14Å; E344-G348 PolarHBondContact O-N 3.23Å; E344-L349 HydrophobicContact CG-CB 3.87Å; E344-L349 PolarHBondContact O-N 2.98Å; E344-S351 PolarHBondContact OE1-OG 3.19Å
345R93.9Very high82.6Confident179 Ų17966.3 Ų66.368%0.67538%0.375SS*.Hα-helixtrans-61.1-41.7176.1-167.3-172.3-61.1126.17.7111.8L341 D342 F343 L347 G348L341-R345 PolarHBondContact O-N 2.92Å; D342-R345 WeakPolarHBondContact O-CB 3.32Å; D342-R345 PolarHBondContact O-N 3.32Å; D342-R345 IonicContact OD1-CZ 3.61Å; D342-R345 IonicContact OD1-NH1 3.63Å; D342-R345 PolarHBondContact OD1-NH1 2.89Å; D342-R345 IonicContact OD1-NH2 3.44Å; F343-R345 VanDerWaalsContact C-N 3.27Å; F343-R345 PolarHBondContact O-N 3.01Å; R345-L347 VanDerWaalsContact C-N 3.26Å; R345-L347 PolarHBondContact O-N 2.84Å; R345-G348 PolarHBondContact O-N 3.1Å; R345-G348 VanDerWaalsContact O-N 3.16Å
346T96.1Very high80.6Confident109 Ų10975 Ų7567%0.66941%0.405SS*.Hα-helixtrans-66.5-27.7177.264.90000113.4D342 F343 E344 G348D342-T346 WeakPolarHBondContact O-CG2 3.45Å; D342-T346 PolarHBondContact O-N 3.44Å; D342-T346 VanDerWaalsContact O-N 3.08Å; F343-T346 WeakPolarHBondContact CA-OG1 3.46Å; F343-T346 WeakPolarHBondContact CD2-OG1 3.25Å; F343-T346 PolarHBondContact O-N 3.24Å; F343-T346 PolarHBondContact O-OG1 3.16Å; E344-T346 VanDerWaalsContact C-N 3.35Å; E344-T346 PolarHBondContact O-N 2.66Å; T346-G348 VanDerWaalsContact C-N 3.3Å
347L94.4Very high77.8Confident55 Ų5578.8 Ų78.829%0.28844%0.436SS..Hα-helixtrans-81.3-9.9175.6-64.7178.6000112.9M309 Q310 F343 E344 R345 L349M309-L347 HydrophobicContact CB-CD1 4.01Å; Q310-L347 HydrophobicContact CB-CD1 4.14Å; Q310-L347 HydrophobicContact CB-CD2 4.4Å; Q310-L347 HydrophobicContact CG-CD2 4.21Å; F343-L347 HydrophobicContact CD1-CD1 3.98Å; F343-L347 HydrophobicContact CE1-CD1 3.59Å; F343-L347 HydrophobicContact CE1-CG 4.22Å; F343-L347 HydrophobicContact CE2-CD2 4.22Å; F343-L347 HydrophobicContact CE2-CG 4.3Å; F343-L347 HydrophobicContact CZ-CD1 3.91Å; F343-L347 HydrophobicContact CZ-CD2 4.03Å; F343-L347 HydrophobicContact CZ-CG 4.12Å; F343-L347 WeakPolarHBondContact O-CG 3.43Å; F343-L347 PolarHBondContact O-N 3.43Å; E344-L347 PolarHBondContact O-N 3.36Å; E344-L347 VanDerWaalsContact O-N 3.14Å; R345-L347 VanDerWaalsContact C-N 3.26Å; R345-L347 PolarHBondContact O-N 2.84Å; L347-L349 VanDerWaalsContact C-N 3.28Å; L347-L349 HydrophobicContact CB-CD1 3.83Å; L347-L349 HydrophobicContact CB-CG 3.78Å; L347-L349 HydrophobicContact CD1-CD1 3.78Å; L347-L349 HydrophobicContact CG-CD1 4.49Å; L347-L349 PolarHBondContact O-N 2.9Å
348G90.4Very high75.2Confident56 Ų5683.2 Ų83.258%0.57747%0.466SS*.THydrogen-bonded Turntrans67.628-176.300000113.4E344 R345 T346E344-G348 PolarHBondContact O-N 3.23Å; R345-G348 PolarHBondContact O-N 3.1Å; R345-G348 VanDerWaalsContact O-N 3.16Å; T346-G348 VanDerWaalsContact C-N 3.3Å
349L85.6Confident72.7Confident28 Ų2885.8 Ų85.815%0.14748%0.48CS..PPolyproline II helixtrans-88.3129.4178.2-59.7173.3000108.9M309 N313 L314 E344 L347M309-L349 HydrophobicContact CB-CD1 4.36Å; N313-L349 HydrophobicContact CB-CD2 4.23Å; L314-L349 VanDerWaalsContact O-CD1 3.27Å; L314-L349 WeakPolarHBondContact O-CD1 3.43Å; E344-L349 HydrophobicContact CG-CB 3.87Å; E344-L349 PolarHBondContact O-N 2.98Å; L347-L349 VanDerWaalsContact C-N 3.28Å; L347-L349 HydrophobicContact CB-CD1 3.83Å; L347-L349 HydrophobicContact CB-CG 3.78Å; L347-L349 HydrophobicContact CD1-CD1 3.78Å; L347-L349 HydrophobicContact CG-CD1 4.49Å; L347-L349 PolarHBondContact O-N 2.9Å
350N71.7Confident70.1Confident136 Ų13691.3 Ų91.373%0.72752%0.517SS*.PPolyproline II helixtrans-103.3128.4178.8-65.8-21.7000109.7
351S61.3Low67.3Low13 Ų1399.2 Ų99.29%0.09155%0.554CS.*PPolyproline II helixtrans-74.9142.7167.5-82.30000109.9N317 E344 C353 D354N317-S351 PolarHBondContact ND2-OG 3.02Å; E344-S351 PolarHBondContact OE1-OG 3.19Å; S351-C353 PolarHBondContact O-N 3.26Å; S351-D354 VanDerWaalsContact O-CB 3.32Å; S351-D354 WeakPolarHBondContact O-CB 3.3Å; S351-D354 PolarHBondContact O-N 3.23Å
352P55.2Low65Low120 Ų120103.7 Ų103.778%0.77957%0.572SS**THydrogen-bonded Turntrans-58.4-19177.9-24.332.6000114.7D354P352-D354 VanDerWaalsContact C-N 3.34Å
353C49.5Very low62.3Low96 Ų96106.5 Ų106.565%0.64959%0.588SS**THydrogen-bonded Turntrans-85.5-2.7175.652.20000114.1S351 N355S351-C353 PolarHBondContact O-N 3.26Å; C353-N355 VanDerWaalsContact C-N 3.31Å; C353-N355 PolarHBondContact O-N 2.81Å
354D49.1Very low59.7Low101 Ų101111.2 Ų111.254%0.5461%0.61SS.*  trans-84.476.2177.4-134.7-6.9000109.3S351 P352 R356S351-D354 VanDerWaalsContact O-CB 3.32Å; S351-D354 WeakPolarHBondContact O-CB 3.3Å; S351-D354 PolarHBondContact O-N 3.23Å; P352-D354 VanDerWaalsContact C-N 3.34Å; D354-R356 PolarHBondContact O-N 3.33Å
355N40.8Very low56.9Low155 Ų155117.2 Ų117.283%0.82964%0.642SS**  trans-67.118.9174.9-83.8-28.8000113.7C353 A357C353-N355 VanDerWaalsContact C-N 3.31Å; C353-N355 PolarHBondContact O-N 2.81Å; N355-A357 PolarHBondContact O-N 2.8Å; N355-A357 VanDerWaalsContact O-N 3.15Å
356R48.2Very low54.6Low220 Ų220113.9 Ų113.983%0.8363%0.632SS**  trans-85.566.9162.3-78.3-178.7169.1178-3.1109D354 T358D354-R356 PolarHBondContact O-N 3.33Å; R356-T358 PolarHBondContact O-N 3.1Å
357A38.4Very low51.7Low80 Ų80115 Ų11566%0.66163%0.628SS**  trans-58.1108.3156.400000107N355 S359N355-A357 PolarHBondContact O-N 2.8Å; N355-A357 VanDerWaalsContact O-N 3.15Å; A357-S359 PolarHBondContact O-N 2.99Å
358T40.8Very low49.3Very low141 Ų141117.2 Ų117.287%0.86564%0.644SS**  trans-57.589.6164.135.60000108.5R356R356-T358 PolarHBondContact O-N 3.1Å
359S33.8Very low46.8Very low82 Ų82118 Ų11857%0.57364%0.638SS**  trans-87.7124.1160-56.80000106.4A357 Q361A357-S359 PolarHBondContact O-N 2.99Å; S359-Q361 PolarHBondContact O-N 3.04Å
360P40.5Very low44.9Very low134 Ų134122.9 Ų122.987%0.8767%0.671SS**  trans-80.265.2175.833.3-32000108.8
361Q38.9Very low43.8Very low167 Ų167122.3 Ų122.378%0.7867%0.672SS**SBendtrans-142.1147.1168-68.9-169.1000109.7S359 D363S359-Q361 PolarHBondContact O-N 3.04Å; Q361-D363 PolarHBondContact O-N 2.95Å
362H47.3Very low43Very low179 Ų179127.6 Ų127.683%0.82970%0.7SS**  trans-76.880.8-156-145.9-64.8000111.5Q364H362-Q364 PolarHBondContact O-N 2.83Å
363D37.9Very low42.6Very low144 Ų144131.2 Ų131.277%0.7771%0.706SS**  trans-84.6102-178.3-80.5-14.9000112.1Q361Q361-D363 PolarHBondContact O-N 2.95Å
364Q41.8Very low42.2Very low123 Ų123131.6 Ų131.658%0.57570%0.701SS**  trans-66.3124.5169-70.5177.2-22.700110.1H362 F366H362-Q364 PolarHBondContact O-N 2.83Å; Q364-F366 HydrophobicContact CB-CE2 3.89Å; Q364-F366 HydrophobicContact CB-CZ 4.3Å
365L39.3Very low42Very low143 Ų143131.3 Ų131.375%0.74970%0.703SS**  trans-85.2123.9-179.4-65.8168.5000110.8
366F45Very low42.2Very low109 Ų109131 Ų13148%0.47870%0.695SS.*EExtended strand (participates in β ladder)trans-114.5143.3172.4-64.4-82.6000110.8Q364 V375 Q377Q364-F366 HydrophobicContact CB-CE2 3.89Å; Q364-F366 HydrophobicContact CB-CZ 4.3Å; F366-V375 HydrophobicContact CB-CG1 4.09Å; F366-V375 HydrophobicContact CD1-CG1 3.54Å; F366-V375 HydrophobicContact CE1-CG1 4.27Å; F366-V375 HydrophobicContact CG-CG1 4.03Å; F366-Q377 HydrophobicContact CD1-CB 4.46Å; F366-Q377 HydrophobicContact CE1-CB 3.98Å; F366-Q377 HydrophobicContact CE1-CG 4.08Å
367F36.3Very low41.8Very low134 Ų134126.1 Ų126.159%0.58868%0.681SS**EExtended strand (participates in β ladder)trans-104.7139.4172.1-163.9-91.2000110.1T369F367-T369 HydrophobicContact CD1-CG2 4.13Å; F367-T369 HydrophobicContact CE1-CG2 3.63Å
368T42.9Very low42Very low101 Ų101128.1 Ų128.162%0.6268%0.681SS**  trans-122.7130.716646.40000109.4
369T38.5Very low42.1Very low73 Ų73127.8 Ų127.845%0.44867%0.673SS.*  trans-87.2153.1173.635.40000110.8F367 T371F367-T369 HydrophobicContact CD1-CG2 4.13Å; F367-T369 HydrophobicContact CE1-CG2 3.63Å; T369-T371 PolarHBondContact O-N 3.11Å
370P46.6Very low42.5Very low130 Ų130130.4 Ų130.484%0.84469%0.686SS**THydrogen-bonded Turntrans-69.4-0.1-172.8-17.631.5000115.9
371T48.3Very low42.4Very low123 Ų123132 Ų13276%0.75569%0.687SS**THydrogen-bonded Turntrans-13912.3-168.929.10000116.7T369T369-T371 PolarHBondContact O-N 3.11Å
372N43.3Very low42.5Very low125 Ų125132.9 Ų132.967%0.66869%0.691SS**  trans-161.6132.8162.5-97-44.6000111.3N374N372-N374 PolarHBondContact O-N 3.46Å
373H47.8Very low42Very low196 Ų196130.3 Ų130.391%0.90769%0.692SS**  trans-71.653.9177.7-76.8-64.7000113.3
374N41.4Very low41.9Very low103 Ų103133.7 Ų133.755%0.55172%0.719SS**  trans-114.6121.6168.8-74.6-30.8000109.3N372 F376N372-N374 PolarHBondContact O-N 3.46Å; N374-F376 HydrophobicContact CB-CE2 3.82Å; N374-F376 HydrophobicContact CB-CZ 4.26Å
375V43.3Very low41.9Very low96 Ų96134.3 Ų134.358%0.58273%0.726SS**  trans-88.6124.9179.2-1730000108.2F366F366-V375 HydrophobicContact CB-CG1 4.09Å; F366-V375 HydrophobicContact CD1-CG1 3.54Å; F366-V375 HydrophobicContact CE1-CG1 4.27Å; F366-V375 HydrophobicContact CG-CG1 4.03Å
376F45.8Very low42.1Very low148 Ų148133.8 Ų133.865%0.64973%0.725SS**EExtended strand (participates in β ladder)trans-113.8129.2174.6-67.9-84.1000110.1N374N374-F376 HydrophobicContact CB-CE2 3.82Å; N374-F376 HydrophobicContact CB-CZ 4.26Å
377Q40.8Very low41.9Very low117 Ų117135.2 Ų135.255%0.54774%0.739SS.*EExtended strand (participates in β ladder)trans-81.7132.9176.2-172.8173.7-12.600109.7F366F366-Q377 HydrophobicContact CD1-CB 4.46Å; F366-Q377 HydrophobicContact CE1-CB 3.98Å; F366-Q377 HydrophobicContact CE1-CG 4.08Å
378L42Very low42.2Very low123 Ų123135.2 Ų135.264%0.64475%0.748SS**  trans-90.3107.2172.2-89.2151.6000108.7
379D43.2Very low42.2Very low133 Ų133137.4 Ų137.471%0.71176%0.756SS**  trans-76.7123.3165.7-78.5-25.4000109.2L381D379-L381 PolarHBondContact O-N 3.1Å; D379-L381 VanDerWaalsContact O-N 3.11Å
380T41.1Very low42.4Very low137 Ų137141.7 Ų141.784%0.8478%0.776SS**  trans-60.7110.7170.61.40000108.7E382T380-E382 PolarHBondContact O-N 2.89Å; T380-E382 VanDerWaalsContact O-N 3.1Å
381L39.5Very low42.1Very low169 Ų169142.5 Ų142.589%0.88577%0.771SS**  trans-58.3114.4169.3-77.4163.1000108.8D379 S383D379-L381 PolarHBondContact O-N 3.1Å; D379-L381 VanDerWaalsContact O-N 3.11Å; L381-S383 PolarHBondContact O-N 3.41Å
382E39.6Very low41.7Very low185 Ų185144 Ų14486%0.86477%0.772SS**  trans-59.6129.7163.9-79.2-176.6142.200109.2T380 T384T380-E382 PolarHBondContact O-N 2.89Å; T380-E382 VanDerWaalsContact O-N 3.1Å; E382-T384 PolarHBondContact O-N 3.03Å
383S38Very low41.5Very low124 Ų124145.6 Ų145.687%0.86778%0.781SS**  trans-54.6129171.8-62.90000111.1L381L381-S383 PolarHBondContact O-N 3.41Å
384T35.7Very low40.9Very low216 Ų216141 Ų141100%1.32577%0.77SS**  trans-124.50153.243.10000109.6E382E382-T384 PolarHBondContact O-N 3.03Å

Retrieved 384 of 384 residues in 569.3 ms (Link to these results)

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