A0A077ZC57_TRITR Loading...

Thioredoxin 6 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M32.8Very low48Very low246 Ų246100 Ų100100%1.21259%0.585SS**  0100.90-91.5172.2161.900107.7A3M1-A3 PolarHBondContact O-N 3.15Å
2H34.8Very low50Low190 Ų19098.7 Ų98.788%0.8858%0.579SS**PPolyproline II helixtrans-69.7122.6163.1-79.6-77.9000106.6V4H2-V4 PolarHBondContact O-N 2.89Å; H2-V4 VanDerWaalsContact O-N 3.14Å
3A37.8Very low52.3Low101 Ų10193.8 Ų93.884%0.83555%0.549SS*.PPolyproline II helixtrans-57.8118.917300000107.7M1 D5M1-A3 PolarHBondContact O-N 3.15Å; A3-D5 PolarHBondContact O-N 2.78Å
4V47.6Very low54Low91 Ų91100.3 Ų100.355%0.55257%0.567SS**PPolyproline II helixtrans-68.2120172.9179.90000106H2 D8 A10H2-V4 PolarHBondContact O-N 2.89Å; H2-V4 VanDerWaalsContact O-N 3.14Å; V4-D8 VanDerWaalsContact CG1-O 3.22Å; V4-D8 WeakPolarHBondContact CG1-O 3.15Å; V4-A10 HydrophobicContact CG1-CB 4.21Å; V4-A10 HydrophobicContact CG2-CB 4.19Å
5D44.9Very low55.9Low87 Ų87100.9 Ų100.947%0.46556%0.564SS.*PPolyproline II helixtrans-57.9130.2172.6-168.9-47000107.9A3 S7 D8A3-D5 PolarHBondContact O-N 2.78Å; D5-S7 PolarHBondContact O-N 2.96Å; D5-S7 PolarHBondContact OD1-N 3.04Å; D5-S7 VanDerWaalsContact OD1-N 3.08Å; D5-S7 PolarHBondContact OD1-OG 3.01Å; D5-D8 HydrophobicContact CB-CB 4.4Å; D5-D8 PolarHBondContact O-N 3.06Å; D5-D8 VanDerWaalsContact O-O 3.11Å
6P47.8Very low57.1Low138 Ų13896.4 Ų96.490%0.89654%0.543SS*.THydrogen-bonded Turntrans-57.5-14.8-178.622-33.9000114.1
7S44.4Very low58.3Low61 Ų61100.5 Ų100.543%0.42756%0.556SS.*THydrogen-bonded Turntrans-92.9-7.2175.661.90000115.1D5D5-S7 PolarHBondContact O-N 2.96Å; D5-S7 PolarHBondContact OD1-N 3.04Å; D5-S7 VanDerWaalsContact OD1-N 3.08Å; D5-S7 PolarHBondContact OD1-OG 3.01Å
8D51.7Low59.4Low45 Ų45104.8 Ų104.824%0.24156%0.563CS.*SBendtrans-114.2135.4177.2-85.4-15.7000110.8V4 D5 R39V4-D8 VanDerWaalsContact CG1-O 3.22Å; V4-D8 WeakPolarHBondContact CG1-O 3.15Å; D5-D8 HydrophobicContact CB-CB 4.4Å; D5-D8 PolarHBondContact O-N 3.06Å; D5-D8 VanDerWaalsContact O-O 3.11Å; D8-R39 IonicContact OD1-CZ 3.87Å; D8-R39 IonicContact OD1-NE 3.2Å; D8-R39 PolarHBondContact OD1-NE 3.05Å; D8-R39 IonicContact OD1-NH2 4Å; D8-R39 PolarHBondContact OD1-NH2 3.05Å
9V55.2Low60.3Low38 Ų3899.6 Ų99.623%0.2354%0.536CS..  trans-102.2131.3-175.1-176.30000111.3L40 R41 P42V9-L40 HydrophobicContact CB-CB 4.33Å; V9-L40 WeakPolarHBondContact CB-O 3.15Å; V9-L40 HydrophobicContact CG1-CB 3.89Å; V9-L40 VanDerWaalsContact CG1-O 3.26Å; V9-L40 WeakPolarHBondContact CG1-O 3.39Å; V9-L40 WeakPolarHBondContact CG2-O 3.17Å; V9-L40 PolarHBondContact O-N 3.22Å; V9-L40 VanDerWaalsContact O-N 3.13Å; V9-R41 VanDerWaalsContact CG1-C 3.41Å; V9-P42 HydrophobicContact CG1-CG 4.26Å; V9-P42 HydrophobicContact CG2-CG 3.97Å
10A63.8Low61.5Low53 Ų53104 Ų10444%0.43854%0.544SS..  trans-114.1138.2-178.300000111.6V4 V12V4-A10 HydrophobicContact CG1-CB 4.21Å; V4-A10 HydrophobicContact CG2-CB 4.19Å; A10-V12 HydrophobicContact CB-CG2 4.27Å
11L67.1Low62.5Low50 Ų50101.1 Ų101.126%0.26253%0.528SS..  trans-88.4122.7162.7179.372000107.5F29 L40 F55 I59L11-F29 HydrophobicContact CD2-CE2 3.79Å; L11-F29 HydrophobicContact CD2-CZ 4.46Å; L11-F29 HydrophobicContact CG-CE2 3.92Å; L11-F29 HydrophobicContact CG-CZ 4.33Å; L11-F29 WeakPolarHBondContact O-CZ 3.21Å; L11-L40 HydrophobicContact CB-CD1 3.3Å; L11-L40 HydrophobicContact CD2-CD1 4.4Å; L11-L40 HydrophobicContact CG-CD1 4.44Å; L11-F55 HydrophobicContact CD2-CD1 4.33Å; L11-F55 HydrophobicContact CD2-CE1 4.39Å; L11-I59 HydrophobicContact CD2-CD1 4.3Å; L11-I59 HydrophobicContact CD2-CG1 4.44Å
12V72.3Confident64.8Low84 Ų8490.1 Ų90.151%0.50948%0.475SS..  trans-114124.2-174.6-177.50000108.9A10 F14A10-V12 HydrophobicContact CB-CG2 4.27Å; V12-F14 HydrophobicContact CB-CE2 4.03Å; V12-F14 HydrophobicContact CB-CZ 4.38Å; V12-F14 HydrophobicContact CG1-CD2 4.26Å; V12-F14 HydrophobicContact CG1-CE1 4.31Å; V12-F14 HydrophobicContact CG1-CE2 3.89Å; V12-F14 HydrophobicContact CG1-CZ 3.91Å; V12-F14 PolarHBondContact O-N 3.3Å
13N79.7Confident67.2Low35 Ų3587.5 Ų87.519%0.18746%0.461CS..  trans-89.7100.9173.6-178.212.5000110H15 F29N13-H15 PolarHBondContact O-N 2.76Å; N13-H15 PolarHBondContact O-ND1 3.25Å; N13-F29 HydrophobicContact CB-CD1 4.06Å; N13-F29 HydrophobicContact CB-CD2 3.88Å; N13-F29 HydrophobicContact CB-CE1 3.96Å; N13-F29 HydrophobicContact CB-CE2 3.77Å; N13-F29 HydrophobicContact CB-CG 4.02Å; N13-F29 HydrophobicContact CB-CZ 3.81Å
14F76.2Confident69.5Low185 Ų18588.2 Ų88.281%0.81145%0.449SS*.  trans-75.6114.2170.6-65.1-85.3000109.2V12V12-F14 HydrophobicContact CB-CE2 4.03Å; V12-F14 HydrophobicContact CB-CZ 4.38Å; V12-F14 HydrophobicContact CG1-CD2 4.26Å; V12-F14 HydrophobicContact CG1-CE1 4.31Å; V12-F14 HydrophobicContact CG1-CE2 3.89Å; V12-F14 HydrophobicContact CG1-CZ 3.91Å; V12-F14 PolarHBondContact O-N 3.3Å
15H82.5Confident71.3Confident110 Ų11084.9 Ų84.951%0.50943%0.427SS..  trans-140.9157.4-170.980.9-72.9000111.5N13 S22N13-H15 PolarHBondContact O-N 2.76Å; N13-H15 PolarHBondContact O-ND1 3.25Å; H15-S22 WeakPolarHBondContact CA-OG 3.33Å
16A75.4Confident73.3Confident28 Ų2883.9 Ų83.923%0.23142%0.424CS..  trans-125.2138175.300000110.4W18 C19 S22A16-W18 HydrophobicContact CB-CD2 4.29Å; A16-W18 HydrophobicContact CB-CG 4.45Å; A16-W18 HydrophobicContact CB-CZ2 4.28Å; A16-W18 PolarHBondContact O-N 3.39Å; A16-C19 HydrophobicContact CB-CB 4.08Å; A16-C19 PolarHBondContact O-N 3.31Å; A16-S22 PolarHBondContact N-OG 3.18Å; A16-S22 WeakPolarHBondContact O-CB 3.32Å
17E77.8Confident75.2Confident166 Ų16680.5 Ų80.578%0.77640%0.402SS*.THydrogen-bonded Turntrans-63.3-23.8-177.9-69.8-170169.600113.7K23E17-K23 WeakPolarHBondContact O-CE 3.21Å; E17-K23 PolarHBondContact O-NZ 3.2Å
18W77.6Confident77.2Confident178 Ų17878.9 Ų78.967%0.67439%0.39SS*.THydrogen-bonded Turntrans-89-13.7177.753.8-96.3000112.8A16 R20 T291A16-W18 HydrophobicContact CB-CD2 4.29Å; A16-W18 HydrophobicContact CB-CG 4.45Å; A16-W18 HydrophobicContact CB-CZ2 4.28Å; A16-W18 PolarHBondContact O-N 3.39Å; W18-R20 PolarHBondContact O-N 3.31Å; W18-T291 HydrophobicContact CH2-CG2 3.49Å; W18-T291 VanDerWaalsContact CH2-CG2 3.49Å; W18-T291 HydrophobicContact CZ3-CG2 3.63Å
19C76.5Confident78.7Confident7 Ų779 Ų795%0.04739%0.388CS..  trans-80.9121.1-177.6174.40000111.4A16 F21 S22 K23 T291A16-C19 HydrophobicContact CB-CB 4.08Å; A16-C19 PolarHBondContact O-N 3.31Å; C19-F21 VanDerWaalsContact C-N 3.29Å; C19-F21 PolarHBondContact O-N 2.99Å; C19-F21 PolarHBondContact SG-N 3.42Å; C19-S22 WeakPolarHBondContact CB-OG 3.44Å; C19-S22 WeakPolarHBondContact O-CB 3.27Å; C19-S22 PolarHBondContact O-N 3.44Å; C19-S22 PolarHBondContact SG-N 3.18Å; C19-S22 VanDerWaalsContact SG-N 3.39Å; C19-K23 WeakPolarHBondContact O-CG 3.4Å; C19-K23 PolarHBondContact O-N 2.97Å; C19-T291 PolarHBondContact SG-OG1 3.2Å
20R83.3Confident80Confident186 Ų18680 Ų8070%0.70240%0.397SS*.Hα-helixtrans-57.7-41.3176.4-179.4-178.3175-168.1-0.4112.2W18 K23 M24W18-R20 PolarHBondContact O-N 3.31Å; R20-K23 PolarHBondContact O-N 2.98Å; R20-M24 PolarHBondContact O-N 3.16Å
21F83.7Confident81Confident45 Ų4581.7 Ų81.720%0.19740%0.398CS..Hα-helixtrans-68.6-39.5-178.6-61.2-58.9000112.4C19 M24 L25 N287 T288 R289C19-F21 VanDerWaalsContact C-N 3.29Å; C19-F21 PolarHBondContact O-N 2.99Å; C19-F21 PolarHBondContact SG-N 3.42Å; F21-M24 PolarHBondContact O-N 3.34Å; F21-L25 WeakPolarHBondContact O-CB 3.26Å; F21-L25 PolarHBondContact O-N 2.78Å; F21-N287 VanDerWaalsContact CE2-O 3.3Å; F21-N287 WeakPolarHBondContact CE2-O 3.4Å; F21-T288 WeakPolarHBondContact CE1-O 3.48Å; F21-T288 WeakPolarHBondContact CZ-O 3.31Å; F21-R289 WeakPolarHBondContact CB-O 3.45Å; F21-R289 WeakPolarHBondContact CD1-O 3.2Å; F21-R289 WeakPolarHBondContact CD2-O 3.44Å; F21-R289 WeakPolarHBondContact CG-O 3.46Å
22S80.8Confident81.5Confident15 Ų1579.4 Ų79.411%0.10539%0.387CS..Hα-helixtrans-57-50.3170.2-70.30000111H15 A16 C19 M24 L25 V26H15-S22 WeakPolarHBondContact CA-OG 3.33Å; A16-S22 PolarHBondContact N-OG 3.18Å; A16-S22 WeakPolarHBondContact O-CB 3.32Å; C19-S22 WeakPolarHBondContact CB-OG 3.44Å; C19-S22 WeakPolarHBondContact O-CB 3.27Å; C19-S22 PolarHBondContact O-N 3.44Å; C19-S22 PolarHBondContact SG-N 3.18Å; C19-S22 VanDerWaalsContact SG-N 3.39Å; S22-M24 VanDerWaalsContact C-N 3.29Å; S22-M24 PolarHBondContact O-N 2.8Å; S22-L25 PolarHBondContact O-N 3.33Å; S22-V26 WeakPolarHBondContact O-CG2 3.4Å; S22-V26 PolarHBondContact O-N 3.49Å
23K84.5Confident81.6Confident134 Ų13478.2 Ų78.258%0.58338%0.382SS*.Hα-helixtrans-57.6-39.8178.1-68.7-178.7-173.1-175.90113E17 C19 R20 L25 P27E17-K23 WeakPolarHBondContact O-CE 3.21Å; E17-K23 PolarHBondContact O-NZ 3.2Å; C19-K23 WeakPolarHBondContact O-CG 3.4Å; C19-K23 PolarHBondContact O-N 2.97Å; R20-K23 PolarHBondContact O-N 2.98Å; K23-L25 VanDerWaalsContact C-N 3.35Å; K23-P27 VanDerWaalsContact O-CD 3.31Å; K23-P27 WeakPolarHBondContact O-CD 3.33Å
24M86.6Confident81.5Confident117 Ų11782.6 Ų82.658%0.57641%0.406SS*.Hα-helixtrans-68.4-33.4176.7-74.6-177.863.200113R20 F21 S22 P27R20-M24 PolarHBondContact O-N 3.16Å; F21-M24 PolarHBondContact O-N 3.34Å; S22-M24 VanDerWaalsContact C-N 3.29Å; S22-M24 PolarHBondContact O-N 2.8Å; M24-P27 WeakPolarHBondContact O-CD 3.29Å
25L86.6Confident81.3Confident20 Ų2077.2 Ų77.211%0.10539%0.388CS..Hα-helixtrans-79.3-30-177.3-178.159.4000112.9F21 S22 K23 V28 F29 R50 F55F21-L25 WeakPolarHBondContact O-CB 3.26Å; F21-L25 PolarHBondContact O-N 2.78Å; S22-L25 PolarHBondContact O-N 3.33Å; K23-L25 VanDerWaalsContact C-N 3.35Å; L25-V28 HydrophobicContact CD1-CB 4.45Å; L25-V28 PolarHBondContact O-N 2.97Å; L25-F29 WeakPolarHBondContact O-CB 3.48Å; L25-F29 PolarHBondContact O-N 3.29Å; L25-R50 HydrophobicContact CD1-CB 4.19Å; L25-R50 HydrophobicContact CD1-CG 4.08Å; L25-F55 HydrophobicContact CD1-CE2 3.41Å; L25-F55 VanDerWaalsContact CD1-CE2 3.41Å; L25-F55 HydrophobicContact CD1-CZ 3.58Å
26V85.5Confident80.4Confident66 Ų6674.1 Ų74.140%0.437%0.373SS..Hα-helixtrans-49.1-53.5-178.9167.30000114S22 V28 F29 S30S22-V26 WeakPolarHBondContact O-CG2 3.4Å; S22-V26 PolarHBondContact O-N 3.49Å; V26-V28 PolarHBondContact O-N 3.44Å; V26-F29 PolarHBondContact O-N 3.42Å; V26-S30 WeakPolarHBondContact O-CB 3.43Å; V26-S30 PolarHBondContact O-N 3.38Å
27P88Confident79.2Confident68 Ų6878.4 Ų78.444%0.44240%0.398SS..Hα-helixtrans-64.6-42.4-179.223.6-33.2000112K23 M24 F29 S30 D31K23-P27 VanDerWaalsContact O-CD 3.31Å; K23-P27 WeakPolarHBondContact O-CD 3.33Å; M24-P27 WeakPolarHBondContact O-CD 3.29Å; P27-F29 VanDerWaalsContact C-N 3.31Å; P27-F29 PolarHBondContact O-N 3.12Å; P27-S30 PolarHBondContact O-N 3.42Å; P27-D31 WeakPolarHBondContact O-CB 3.33Å; P27-D31 VanDerWaalsContact O-CG 3.3Å; P27-D31 PolarHBondContact O-N 3.1Å
28V85.9Confident78.1Confident26 Ų2680 Ų8016%0.15840%0.397CS..Hα-helixtrans-60.7-42.7177.9178.80000111.4L25 V26 A32 S51 V52 F55L25-V28 HydrophobicContact CD1-CB 4.45Å; L25-V28 PolarHBondContact O-N 2.97Å; V26-V28 PolarHBondContact O-N 3.44Å; V28-A32 WeakPolarHBondContact O-CB 3.46Å; V28-A32 PolarHBondContact O-N 3.46Å; V28-S51 VanDerWaalsContact CG1-C 3.5Å; V28-V52 HydrophobicContact CG1-CG2 4.1Å; V28-F55 HydrophobicContact CG1-CD2 3.72Å; V28-F55 HydrophobicContact CG1-CE2 4.07Å
29F82.7Confident77Confident48 Ų4878.1 Ų78.121%0.21139%0.39CS..Hα-helixtrans-66.3-42.6178.5-169.6-93000111.5L11 N13 L25 V26 P27 S33 F55L11-F29 HydrophobicContact CD2-CE2 3.79Å; L11-F29 HydrophobicContact CD2-CZ 4.46Å; L11-F29 HydrophobicContact CG-CE2 3.92Å; L11-F29 HydrophobicContact CG-CZ 4.33Å; L11-F29 WeakPolarHBondContact O-CZ 3.21Å; N13-F29 HydrophobicContact CB-CD1 4.06Å; N13-F29 HydrophobicContact CB-CD2 3.88Å; N13-F29 HydrophobicContact CB-CE1 3.96Å; N13-F29 HydrophobicContact CB-CE2 3.77Å; N13-F29 HydrophobicContact CB-CG 4.02Å; N13-F29 HydrophobicContact CB-CZ 3.81Å; L25-F29 WeakPolarHBondContact O-CB 3.48Å; L25-F29 PolarHBondContact O-N 3.29Å; V26-F29 PolarHBondContact O-N 3.42Å; P27-F29 VanDerWaalsContact C-N 3.31Å; P27-F29 PolarHBondContact O-N 3.12Å; F29-S33 WeakPolarHBondContact O-CB 3.48Å; F29-S33 PolarHBondContact O-N 3.12Å; F29-F55 HydrophobicContact CD2-CE1 4.46Å
30S83.5Confident76Confident59 Ų5979.4 Ų79.441%0.41340%0.396SS..Hα-helixtrans-60.9-48.7175.2-175.20000111.4V26 P27 A32 S33 N34V26-S30 WeakPolarHBondContact O-CB 3.43Å; V26-S30 PolarHBondContact O-N 3.38Å; P27-S30 PolarHBondContact O-N 3.42Å; S30-A32 PolarHBondContact O-N 2.86Å; S30-S33 PolarHBondContact O-N 3.24Å; S30-S33 PolarHBondContact O-OG 2.99Å; S30-N34 PolarHBondContact O-N 2.87Å; S30-N34 PolarHBondContact O-ND2 3.37Å
31D83.8Confident74.6Confident88 Ų8872.1 Ų72.147%0.47137%0.369SS..Hα-helixtrans-62.4-44.8180-70.3-15.9000111.6P27 S33 N34 V52P27-D31 WeakPolarHBondContact O-CB 3.33Å; P27-D31 VanDerWaalsContact O-CG 3.3Å; P27-D31 PolarHBondContact O-N 3.1Å; D31-S33 VanDerWaalsContact C-N 3.31Å; D31-S33 PolarHBondContact O-N 3.3Å; D31-N34 PolarHBondContact O-N 3.19Å; D31-V52 HydrophobicContact CB-CG2 3.89Å
32A78.3Confident73.2Confident2 Ų273.5 Ų73.52%0.01738%0.382CS..Hα-helixtrans-63.6-36.6176.200000112.2V28 S30 N34 V35 F36 F55V28-A32 WeakPolarHBondContact O-CB 3.46Å; V28-A32 PolarHBondContact O-N 3.46Å; S30-A32 PolarHBondContact O-N 2.86Å; A32-N34 VanDerWaalsContact C-N 3.27Å; A32-N34 PolarHBondContact O-N 3.14Å; A32-V35 WeakPolarHBondContact O-CB 3.17Å; A32-V35 PolarHBondContact O-N 2.77Å; A32-V35 VanDerWaalsContact O-N 3.14Å; A32-F36 WeakPolarHBondContact O-CD2 3.05Å; A32-F55 HydrophobicContact CB-CB 3.85Å
33S74.8Confident72.1Confident59 Ų5976.1 Ų76.141%0.41341%0.412SS..Hα-helixtrans-63.9-32179.876.30000113.1F29 S30 D31 V35 F36F29-S33 WeakPolarHBondContact O-CB 3.48Å; F29-S33 PolarHBondContact O-N 3.12Å; S30-S33 PolarHBondContact O-N 3.24Å; S30-S33 PolarHBondContact O-OG 2.99Å; D31-S33 VanDerWaalsContact C-N 3.31Å; D31-S33 PolarHBondContact O-N 3.3Å; S33-V35 PolarHBondContact O-N 3.48Å; S33-F36 PolarHBondContact O-N 2.78Å
34N77.2Confident71.1Confident127 Ų12773.2 Ų73.268%0.67940%0.399SS*.THydrogen-bonded Turntrans-69.3-17.2177.9-69-34.1000113.1S30 D31 A32S30-N34 PolarHBondContact O-N 2.87Å; S30-N34 PolarHBondContact O-ND2 3.37Å; D31-N34 PolarHBondContact O-N 3.19Å; A32-N34 VanDerWaalsContact C-N 3.27Å; A32-N34 PolarHBondContact O-N 3.14Å
35V71.7Confident70.4Confident72 Ų7273.4 Ų73.444%0.43640%0.399SS..THydrogen-bonded Turntrans-84.2-16.4-177.1-1770000112.2A32 S33 T56A32-V35 WeakPolarHBondContact O-CB 3.17Å; A32-V35 PolarHBondContact O-N 2.77Å; A32-V35 VanDerWaalsContact O-N 3.14Å; S33-V35 PolarHBondContact O-N 3.48Å; V35-T56 HydrophobicContact CG1-CG2 4.16Å
36F63.5Low70.1Confident46 Ų4674.1 Ų74.120%0.20240%0.4CS..  trans-130.1119.2-168.7-63.3-76.4000114.6A32 S33 T56 I59 R60 L63A32-F36 WeakPolarHBondContact O-CD2 3.05Å; S33-F36 PolarHBondContact O-N 2.78Å; F36-T56 HydrophobicContact CE1-CG2 4.49Å; F36-T56 HydrophobicContact CE2-CG2 3.67Å; F36-T56 HydrophobicContact CZ-CG2 3.33Å; F36-T56 WeakPolarHBondContact CZ-O 3.44Å; F36-I59 HydrophobicContact CB-CG2 4.2Å; F36-I59 HydrophobicContact CD1-CG2 3.51Å; F36-I59 HydrophobicContact CD2-CB 4.14Å; F36-I59 HydrophobicContact CD2-CD1 3.74Å; F36-I59 HydrophobicContact CD2-CG2 3.59Å; F36-I59 HydrophobicContact CE1-CB 4.37Å; F36-I59 HydrophobicContact CE1-CG2 3.61Å; F36-I59 HydrophobicContact CE2-CB 3.89Å; F36-I59 HydrophobicContact CE2-CD1 3.91Å; F36-I59 HydrophobicContact CE2-CG1 4.5Å; F36-I59 HydrophobicContact CE2-CG2 3.71Å; F36-I59 HydrophobicContact CG-CB 4.49Å; F36-I59 HydrophobicContact CG-CG2 3.47Å; F36-I59 VanDerWaalsContact CG-CG2 3.47Å; F36-I59 HydrophobicContact CZ-CB 3.96Å; F36-I59 HydrophobicContact CZ-CG2 3.68Å; F36-R60 HydrophobicContact CE1-CG 3.87Å; F36-R60 HydrophobicContact CZ-CG 4.03Å; F36-L63 HydrophobicContact CD1-CD1 3.8Å; F36-L63 HydrophobicContact CE1-CD1 4.09Å
37P51.6Low69.7Low117 Ų11773.1 Ų73.176%0.7639%0.389SS*.  trans-95.199.7166.632.9-23.2000109.7
38R54.2Low69.4Low199 Ų19971.7 Ų71.775%0.75139%0.387SS*.SBendtrans78.9144156.9-55.5-175.7176.5-145.20.7119.2
39R53.7Low69.3Low140 Ų14074.1 Ų74.153%0.52841%0.405SS..  trans71.894170.5-62-168.1170.7-165.9-2.6117.3D8 L63D8-R39 IonicContact OD1-CZ 3.87Å; D8-R39 IonicContact OD1-NE 3.2Å; D8-R39 PolarHBondContact OD1-NE 3.05Å; D8-R39 IonicContact OD1-NH2 4Å; D8-R39 PolarHBondContact OD1-NH2 3.05Å; R39-L63 WeakPolarHBondContact O-CD2 3.39Å
40L55.6Low69.3Low33 Ų3375.6 Ų75.617%0.17341%0.409CS..  trans-91.8-170.1165-71.8164.6000111V9 L11 I59 Q62V9-L40 HydrophobicContact CB-CB 4.33Å; V9-L40 WeakPolarHBondContact CB-O 3.15Å; V9-L40 HydrophobicContact CG1-CB 3.89Å; V9-L40 VanDerWaalsContact CG1-O 3.26Å; V9-L40 WeakPolarHBondContact CG1-O 3.39Å; V9-L40 WeakPolarHBondContact CG2-O 3.17Å; V9-L40 PolarHBondContact O-N 3.22Å; V9-L40 VanDerWaalsContact O-N 3.13Å; L11-L40 HydrophobicContact CB-CD1 3.3Å; L11-L40 HydrophobicContact CD2-CD1 4.4Å; L11-L40 HydrophobicContact CG-CD1 4.44Å; L40-I59 HydrophobicContact CD1-CG1 4.35Å; L40-I59 HydrophobicContact CD2-CB 3.92Å; L40-I59 HydrophobicContact CD2-CG1 3.83Å; L40-I59 HydrophobicContact CD2-CG2 3.57Å; L40-Q62 HydrophobicContact CD2-CB 4.24Å
41R55.4Low69.4Low33 Ų3375 Ų7513%0.12541%0.405CS..  trans-117.9143.4173.7-69.6178.5-168.2-13956.9110.5V9 Q62 V64 T66V9-R41 VanDerWaalsContact CG1-C 3.41Å; R41-Q62 WeakPolarHBondContact CD-O 3.24Å; R41-Q62 PolarHBondContact NE-O 2.69Å; R41-V64 PolarHBondContact NH2-O 2.99Å; R41-T66 PolarHBondContact NH1-OG1 2.89Å; R41-T66 PolarHBondContact NH2-OG1 3.11Å
42P53.3Low69.3Low74 Ų7473.1 Ų73.148%0.48140%0.396SS..SBendtrans-76.1141.5-179.8-5.322.7000109.4V9V9-P42 HydrophobicContact CG1-CG 4.26Å; V9-P42 HydrophobicContact CG2-CG 3.97Å
43G57.9Low69.6Low71 Ų7178.7 Ų78.773%0.73243%0.426SS*.SBendtrans125.8-19.4152.900000117.4
44K63Low70.1Confident72 Ų7276.8 Ų76.831%0.31341%0.414SS..  trans-117.2126.4176.1-89.1-176178.5174.30112.8D87 E88K44-D87 WeakPolarHBondContact CD-OD2 3.45Å; K44-D87 VanDerWaalsContact NZ-CB 3.32Å; K44-D87 IonicContact NZ-OD2 3.76Å; K44-D87 PolarHBondContact NZ-OD2 3.34Å; K44-E88 IonicContact NZ-OE1 3.69Å; K44-E88 PolarHBondContact NZ-OE1 3.35Å
45E71.3Confident70.2Confident122 Ų12271.1 Ų71.157%0.5738%0.383SS*.  trans-70.3139.8171.8-172.1177.3-172.900110.4R47E45-R47 PolarHBondContact O-N 2.78Å; E45-R47 IonicContact OE2-CZ 2.91Å; E45-R47 IonicContact OE2-NE 2.77Å; E45-R47 IonicContact OE2-NH2 2.9Å; E45-R47 PolarHBondContact OE2-NH2 3.25Å
46Y80.4Confident70.5Confident34 Ų3468 Ų6813%0.13337%0.365CS..  trans-78.1110.1175.3179.3-104.7000111.1G48 S49 A54 F55 F58Y46-G48 VanDerWaalsContact CZ-CA 3.46Å; Y46-S49 WeakPolarHBondContact CE1-O 3.09Å; Y46-S49 PolarHBondContact OH-N 3.29Å; Y46-S49 PolarHBondContact OH-O 2.76Å; Y46-A54 VanDerWaalsContact OH-C 3.23Å; Y46-A54 WeakPolarHBondContact OH-CB 3.47Å; Y46-A54 PolarHBondContact OH-O 2.91Å; Y46-F55 AromaticContact CD1-CD1 3.87Å; Y46-F55 HydrophobicContact CD1-CD1 3.87Å; Y46-F55 AromaticContact CD1-CE1 3.24Å; Y46-F55 HydrophobicContact CD1-CE1 3.24Å; Y46-F55 AromaticContact CD1-CE2 4Å; Y46-F55 HydrophobicContact CD1-CE2 4Å; Y46-F55 HydrophobicContact CD1-CG 4.47Å; Y46-F55 AromaticContact CD1-CZ 3.3Å; Y46-F55 HydrophobicContact CD1-CZ 3.3Å; Y46-F55 AromaticContact CE1-CD1 3.95Å; Y46-F55 HydrophobicContact CE1-CD1 3.95Å; Y46-F55 AromaticContact CE1-CD2 3.96Å; Y46-F55 HydrophobicContact CE1-CD2 3.96Å; Y46-F55 AromaticContact CE1-CE1 3.64Å; Y46-F55 HydrophobicContact CE1-CE1 3.64Å; Y46-F55 AromaticContact CE1-CE2 3.65Å; Y46-F55 HydrophobicContact CE1-CE2 3.65Å; Y46-F55 HydrophobicContact CE1-CG 4.09Å; Y46-F55 AromaticContact CE1-CZ 3.48Å; Y46-F55 HydrophobicContact CE1-CZ 3.48Å; Y46-F55 VanDerWaalsContact CE1-CZ 3.48Å; Y46-F55 HydrophobicContact CG-CD1 4.29Å; Y46-F55 AromaticContact CG-CE1 3.85Å; Y46-F55 HydrophobicContact CG-CE1 3.85Å; Y46-F55 HydrophobicContact CG-CZ 4.34Å; Y46-F58 HydrophobicContact CD2-CB 3.67Å; Y46-F58 AromaticContact CD2-CD1 3.51Å; Y46-F58 HydrophobicContact CD2-CD1 3.51Å; Y46-F58 AromaticContact CD2-CD2 3.6Å; Y46-F58 HydrophobicContact CD2-CD2 3.6Å; Y46-F58 AromaticContact CD2-CE1 3.98Å; Y46-F58 HydrophobicContact CD2-CE1 3.98Å; Y46-F58 HydrophobicContact CD2-CE2 4.05Å; Y46-F58 AromaticContact CD2-CG 3.29Å; Y46-F58 HydrophobicContact CD2-CG 3.29Å; Y46-F58 HydrophobicContact CD2-CZ 4.22Å; Y46-F58 HydrophobicContact CE2-CB 3.47Å; Y46-F58 VanDerWaalsContact CE2-CB 3.47Å; Y46-F58 HydrophobicContact CE2-CD1 4.23Å; Y46-F58 HydrophobicContact CE2-CD2 4.05Å; Y46-F58 AromaticContact CE2-CG 3.67Å; Y46-F58 HydrophobicContact CE2-CG 3.67Å; Y46-F58 HydrophobicContact CG-CD1 4.16Å; Y46-F58 HydrophobicContact CG-CE1 4.38Å; Y46-F58 HydrophobicContact CG-CG 4.35Å
47R77.2Confident71.3Confident46 Ų4670.1 Ų70.117%0.17438%0.378CS..  trans-108.511.1177.5-60.2-172.1-177.1-103.3-3.5114.4E45 E142 E146E45-R47 PolarHBondContact O-N 2.78Å; E45-R47 IonicContact OE2-CZ 2.91Å; E45-R47 IonicContact OE2-NE 2.77Å; E45-R47 IonicContact OE2-NH2 2.9Å; E45-R47 PolarHBondContact OE2-NH2 3.25Å; R47-E142 IonicContact CZ-OE1 2.92Å; R47-E142 IonicContact NH1-OE1 3.31Å; R47-E142 PolarHBondContact NH1-OE1 2.99Å; R47-E146 IonicContact CZ-OE1 2.82Å; R47-E146 IonicContact CZ-OE2 2.79Å; R47-E146 IonicContact NH1-OE1 3.52Å; R47-E146 PolarHBondContact NH1-OE1 3.02Å; R47-E146 IonicContact NH1-OE2 3.99Å; R47-E146 IonicContact NH2-OE1 3.31Å; R47-E146 PolarHBondContact NH2-OE1 2.73Å; R47-E146 IonicContact NH2-OE2 3.66Å; R47-E146 PolarHBondContact NH2-OE2 2.89Å
48G82.5Confident72.6Confident38 Ų3866.4 Ų66.439%0.39235%0.35SS..SBendtrans-74.2-171.1178.800000113.8Y46Y46-G48 VanDerWaalsContact CZ-CA 3.46Å
49S82.8Confident73.6Confident76 Ų7657.4 Ų57.453%0.53132%0.317SS..  trans-67.3142.9177.651.60000112.1Y46 S51 A54Y46-S49 WeakPolarHBondContact CE1-O 3.09Å; Y46-S49 PolarHBondContact OH-N 3.29Å; Y46-S49 PolarHBondContact OH-O 2.76Å; S49-S51 PolarHBondContact O-N 3.46Å; S49-A54 WeakPolarHBondContact O-CB 3.45Å; S49-A54 WeakPolarHBondContact OG-CB 3.47Å
50R83.5Confident74.6Confident79 Ų7956.9 Ų56.930%0.29832%0.315SS..SBendtrans-84.361.1-178.6-62-178.4-179.4155.11.7112L25 R289L25-R50 HydrophobicContact CD1-CB 4.19Å; L25-R50 HydrophobicContact CD1-CG 4.08Å; R50-R289 PolarHBondContact NH1-O 2.66Å; R50-R289 PolarHBondContact NH2-O 2.69Å
51S85.9Confident75.5Confident47 Ų4757.9 Ų57.933%0.32932%0.324SS..SBendtrans-125.7155.517469.90000111.2V28 S49 D53 A54 F55V28-S51 VanDerWaalsContact CG1-C 3.5Å; S49-S51 PolarHBondContact O-N 3.46Å; S51-D53 VanDerWaalsContact C-N 3.29Å; S51-D53 PolarHBondContact O-N 3.39Å; S51-A54 PolarHBondContact O-N 3.37Å; S51-A54 WeakPolarHBondContact OG-CB 3.4Å; S51-A54 PolarHBondContact OG-N 3.03Å; S51-F55 WeakPolarHBondContact O-CD2 3.16Å; S51-F55 PolarHBondContact O-N 3.01Å
52V81.4Confident76.1Confident48 Ų4857.6 Ų57.629%0.29132%0.324SS..Hα-helixtrans-57.3-45.8-179.2179.60000110.3V28 D31 A54 F55 T56V28-V52 HydrophobicContact CG1-CG2 4.1Å; D31-V52 HydrophobicContact CB-CG2 3.89Å; V52-A54 VanDerWaalsContact C-N 3.33Å; V52-A54 PolarHBondContact O-N 3.46Å; V52-F55 PolarHBondContact O-N 3.29Å; V52-T56 WeakPolarHBondContact O-CB 3.32Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 3.3Å
53D85.6Confident76.6Confident119 Ų11957.1 Ų57.164%0.63632%0.317SS*.Hα-helixtrans-60.4-41.6179.5-63.9-39.7000112.8S51 T56 N57S51-D53 VanDerWaalsContact C-N 3.29Å; S51-D53 PolarHBondContact O-N 3.39Å; D53-T56 PolarHBondContact O-N 3.44Å; D53-N57 WeakPolarHBondContact O-CB 3.41Å; D53-N57 PolarHBondContact O-N 2.92Å; D53-N57 PolarHBondContact O-ND2 3.44Å
54A84.5Confident76.7Confident19 Ų1957.2 Ų57.216%0.15730%0.304CS..Hα-helixtrans-73.1-39.2-176.800000111.8Y46 S49 S51 V52 F58Y46-A54 VanDerWaalsContact OH-C 3.23Å; Y46-A54 WeakPolarHBondContact OH-CB 3.47Å; Y46-A54 PolarHBondContact OH-O 2.91Å; S49-A54 WeakPolarHBondContact O-CB 3.45Å; S49-A54 WeakPolarHBondContact OG-CB 3.47Å; S51-A54 PolarHBondContact O-N 3.37Å; S51-A54 WeakPolarHBondContact OG-CB 3.4Å; S51-A54 PolarHBondContact OG-N 3.03Å; V52-A54 VanDerWaalsContact C-N 3.33Å; V52-A54 PolarHBondContact O-N 3.46Å; A54-F58 WeakPolarHBondContact O-CB 3.22Å; A54-F58 PolarHBondContact O-N 3.21Å
55F80Confident76.2Confident9 Ų959.9 Ų59.94%0.03932%0.317CS..Hα-helixtrans-61.4-45.7169.3-90.6-75.4000111.4L11 L25 V28 F29 A32 Y46 S51 V52 N57 F58 I59L11-F55 HydrophobicContact CD2-CD1 4.33Å; L11-F55 HydrophobicContact CD2-CE1 4.39Å; L25-F55 HydrophobicContact CD1-CE2 3.41Å; L25-F55 VanDerWaalsContact CD1-CE2 3.41Å; L25-F55 HydrophobicContact CD1-CZ 3.58Å; V28-F55 HydrophobicContact CG1-CD2 3.72Å; V28-F55 HydrophobicContact CG1-CE2 4.07Å; F29-F55 HydrophobicContact CD2-CE1 4.46Å; A32-F55 HydrophobicContact CB-CB 3.85Å; Y46-F55 AromaticContact CD1-CD1 3.87Å; Y46-F55 HydrophobicContact CD1-CD1 3.87Å; Y46-F55 AromaticContact CD1-CE1 3.24Å; Y46-F55 HydrophobicContact CD1-CE1 3.24Å; Y46-F55 AromaticContact CD1-CE2 4Å; Y46-F55 HydrophobicContact CD1-CE2 4Å; Y46-F55 HydrophobicContact CD1-CG 4.47Å; Y46-F55 AromaticContact CD1-CZ 3.3Å; Y46-F55 HydrophobicContact CD1-CZ 3.3Å; Y46-F55 AromaticContact CE1-CD1 3.95Å; Y46-F55 HydrophobicContact CE1-CD1 3.95Å; Y46-F55 AromaticContact CE1-CD2 3.96Å; Y46-F55 HydrophobicContact CE1-CD2 3.96Å; Y46-F55 AromaticContact CE1-CE1 3.64Å; Y46-F55 HydrophobicContact CE1-CE1 3.64Å; Y46-F55 AromaticContact CE1-CE2 3.65Å; Y46-F55 HydrophobicContact CE1-CE2 3.65Å; Y46-F55 HydrophobicContact CE1-CG 4.09Å; Y46-F55 AromaticContact CE1-CZ 3.48Å; Y46-F55 HydrophobicContact CE1-CZ 3.48Å; Y46-F55 VanDerWaalsContact CE1-CZ 3.48Å; Y46-F55 HydrophobicContact CG-CD1 4.29Å; Y46-F55 AromaticContact CG-CE1 3.85Å; Y46-F55 HydrophobicContact CG-CE1 3.85Å; Y46-F55 HydrophobicContact CG-CZ 4.34Å; S51-F55 WeakPolarHBondContact O-CD2 3.16Å; S51-F55 PolarHBondContact O-N 3.01Å; V52-F55 PolarHBondContact O-N 3.29Å; F55-N57 VanDerWaalsContact C-N 3.33Å; F55-N57 PolarHBondContact O-N 2.82Å; F55-F58 PolarHBondContact O-N 3.33Å; F55-I59 WeakPolarHBondContact O-CB 3.47Å; F55-I59 VanDerWaalsContact O-CG1 3.3Å; F55-I59 WeakPolarHBondContact O-CG1 3.39Å; F55-I59 PolarHBondContact O-N 3.17Å
56T77.2Confident74.9Confident7 Ų755.5 Ų55.54%0.04330%0.299CS..Hα-helixtrans-61.6-43.1-179.2-59.10000111.1V35 F36 V52 D53 I59 R60V35-T56 HydrophobicContact CG1-CG2 4.16Å; F36-T56 HydrophobicContact CE1-CG2 4.49Å; F36-T56 HydrophobicContact CE2-CG2 3.67Å; F36-T56 HydrophobicContact CZ-CG2 3.33Å; F36-T56 WeakPolarHBondContact CZ-O 3.44Å; V52-T56 WeakPolarHBondContact O-CB 3.32Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 3.3Å; D53-T56 PolarHBondContact O-N 3.44Å; T56-I59 PolarHBondContact O-N 3.39Å; T56-R60 WeakPolarHBondContact O-CB 3.28Å; T56-R60 VanDerWaalsContact O-CG 3.29Å; T56-R60 WeakPolarHBondContact O-CG 3.21Å; T56-R60 PolarHBondContact O-N 3.39Å
57N80.8Confident73.2Confident90 Ų9056.5 Ų56.548%0.48131%0.306SS..Hα-helixtrans-69-37.3177.3-70.7-21.2000112.6D53 F55 R60 S61D53-N57 WeakPolarHBondContact O-CB 3.41Å; D53-N57 PolarHBondContact O-N 2.92Å; D53-N57 PolarHBondContact O-ND2 3.44Å; F55-N57 VanDerWaalsContact C-N 3.33Å; F55-N57 PolarHBondContact O-N 2.82Å; N57-R60 PolarHBondContact O-N 3.32Å; N57-R60 PolarHBondContact OD1-NH1 2.8Å; N57-S61 WeakPolarHBondContact O-CB 3.25Å; N57-S61 PolarHBondContact O-N 2.7Å
58F79Confident71.4Confident39 Ų3965 Ų6517%0.17134%0.338CS..Hα-helixtrans-64.6-46.6173.3174.9-102.8000111.9Y46 A54 F55 R60 S61 Q62Y46-F58 HydrophobicContact CD2-CB 3.67Å; Y46-F58 AromaticContact CD2-CD1 3.51Å; Y46-F58 HydrophobicContact CD2-CD1 3.51Å; Y46-F58 AromaticContact CD2-CD2 3.6Å; Y46-F58 HydrophobicContact CD2-CD2 3.6Å; Y46-F58 AromaticContact CD2-CE1 3.98Å; Y46-F58 HydrophobicContact CD2-CE1 3.98Å; Y46-F58 HydrophobicContact CD2-CE2 4.05Å; Y46-F58 AromaticContact CD2-CG 3.29Å; Y46-F58 HydrophobicContact CD2-CG 3.29Å; Y46-F58 HydrophobicContact CD2-CZ 4.22Å; Y46-F58 HydrophobicContact CE2-CB 3.47Å; Y46-F58 VanDerWaalsContact CE2-CB 3.47Å; Y46-F58 HydrophobicContact CE2-CD1 4.23Å; Y46-F58 HydrophobicContact CE2-CD2 4.05Å; Y46-F58 AromaticContact CE2-CG 3.67Å; Y46-F58 HydrophobicContact CE2-CG 3.67Å; Y46-F58 HydrophobicContact CG-CD1 4.16Å; Y46-F58 HydrophobicContact CG-CE1 4.38Å; Y46-F58 HydrophobicContact CG-CG 4.35Å; A54-F58 WeakPolarHBondContact O-CB 3.22Å; A54-F58 PolarHBondContact O-N 3.21Å; F55-F58 PolarHBondContact O-N 3.33Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 2.99Å; F58-S61 PolarHBondContact O-N 3.18Å; F58-S61 VanDerWaalsContact O-N 3.15Å; F58-S61 PolarHBondContact O-OG 3.4Å; F58-Q62 HydrophobicContact CD1-CG 4.37Å; F58-Q62 HydrophobicContact CD2-CG 4.44Å; F58-Q62 HydrophobicContact CE1-CG 4.01Å; F58-Q62 HydrophobicContact CE2-CG 4.1Å; F58-Q62 HydrophobicContact CZ-CG 3.87Å; F58-Q62 VanDerWaalsContact O-CG 3.32Å; F58-Q62 WeakPolarHBondContact O-CG 3.47Å; F58-Q62 PolarHBondContact O-N 2.85Å
59I73.8Confident69.2Low10 Ų1070.9 Ų70.95%0.05136%0.355CS..Hα-helixtrans-59.3-44.9176-69.6173000110.2L11 F36 L40 F55 T56 S61 Q62 L63L11-I59 HydrophobicContact CD2-CD1 4.3Å; L11-I59 HydrophobicContact CD2-CG1 4.44Å; F36-I59 HydrophobicContact CB-CG2 4.2Å; F36-I59 HydrophobicContact CD1-CG2 3.51Å; F36-I59 HydrophobicContact CD2-CB 4.14Å; F36-I59 HydrophobicContact CD2-CD1 3.74Å; F36-I59 HydrophobicContact CD2-CG2 3.59Å; F36-I59 HydrophobicContact CE1-CB 4.37Å; F36-I59 HydrophobicContact CE1-CG2 3.61Å; F36-I59 HydrophobicContact CE2-CB 3.89Å; F36-I59 HydrophobicContact CE2-CD1 3.91Å; F36-I59 HydrophobicContact CE2-CG1 4.5Å; F36-I59 HydrophobicContact CE2-CG2 3.71Å; F36-I59 HydrophobicContact CG-CB 4.49Å; F36-I59 HydrophobicContact CG-CG2 3.47Å; F36-I59 VanDerWaalsContact CG-CG2 3.47Å; F36-I59 HydrophobicContact CZ-CB 3.96Å; F36-I59 HydrophobicContact CZ-CG2 3.68Å; L40-I59 HydrophobicContact CD1-CG1 4.35Å; L40-I59 HydrophobicContact CD2-CB 3.92Å; L40-I59 HydrophobicContact CD2-CG1 3.83Å; L40-I59 HydrophobicContact CD2-CG2 3.57Å; F55-I59 WeakPolarHBondContact O-CB 3.47Å; F55-I59 VanDerWaalsContact O-CG1 3.3Å; F55-I59 WeakPolarHBondContact O-CG1 3.39Å; F55-I59 PolarHBondContact O-N 3.17Å; T56-I59 PolarHBondContact O-N 3.39Å; I59-S61 PolarHBondContact O-N 3Å; I59-Q62 PolarHBondContact O-N 2.85Å; I59-L63 HydrophobicContact CG2-CD1 3.63Å; I59-L63 HydrophobicContact CG2-CG 4.33Å; I59-L63 WeakPolarHBondContact O-CB 3.27Å; I59-L63 VanDerWaalsContact O-CG 3.3Å; I59-L63 WeakPolarHBondContact O-CG 3.39Å; I59-L63 PolarHBondContact O-N 3.5Å
60R75Confident67.2Low129 Ų12969.4 Ų69.449%0.48734%0.344SS..Hα-helixtrans-59.2-43.4174.3-76.2177.5-171.4134.20.4112.6F36 T56 N57 F58 Q62 L63 V64F36-R60 HydrophobicContact CE1-CG 3.87Å; F36-R60 HydrophobicContact CZ-CG 4.03Å; T56-R60 WeakPolarHBondContact O-CB 3.28Å; T56-R60 VanDerWaalsContact O-CG 3.29Å; T56-R60 WeakPolarHBondContact O-CG 3.21Å; T56-R60 PolarHBondContact O-N 3.39Å; N57-R60 PolarHBondContact O-N 3.32Å; N57-R60 PolarHBondContact OD1-NH1 2.8Å; F58-R60 VanDerWaalsContact C-N 3.31Å; F58-R60 PolarHBondContact O-N 2.99Å; R60-Q62 VanDerWaalsContact C-N 3.3Å; R60-Q62 PolarHBondContact O-N 3.29Å; R60-L63 PolarHBondContact O-N 2.86Å; R60-V64 WeakPolarHBondContact O-CG2 3.21Å; R60-V64 PolarHBondContact O-N 2.63Å
61S74.2Confident65.6Low53 Ų5373.8 Ų73.837%0.37137%0.374SS..Hα-helixtrans-66-36-179.974.40000111.7N57 F58 I59 R86N57-S61 WeakPolarHBondContact O-CB 3.25Å; N57-S61 PolarHBondContact O-N 2.7Å; F58-S61 PolarHBondContact O-N 3.18Å; F58-S61 VanDerWaalsContact O-N 3.15Å; F58-S61 PolarHBondContact O-OG 3.4Å; I59-S61 PolarHBondContact O-N 3Å; S61-R86 PolarHBondContact O-NH1 3.49Å
62Q68.9Low64.4Low27 Ų2775.4 Ų75.413%0.12638%0.382CS..Hα-helixtrans-69.4-34.5172.7-64.8-57.3-34.700112.2L40 R41 F58 I59 R60 V64L40-Q62 HydrophobicContact CD2-CB 4.24Å; R41-Q62 WeakPolarHBondContact CD-O 3.24Å; R41-Q62 PolarHBondContact NE-O 2.69Å; F58-Q62 HydrophobicContact CD1-CG 4.37Å; F58-Q62 HydrophobicContact CD2-CG 4.44Å; F58-Q62 HydrophobicContact CE1-CG 4.01Å; F58-Q62 HydrophobicContact CE2-CG 4.1Å; F58-Q62 HydrophobicContact CZ-CG 3.87Å; F58-Q62 VanDerWaalsContact O-CG 3.32Å; F58-Q62 WeakPolarHBondContact O-CG 3.47Å; F58-Q62 PolarHBondContact O-N 2.85Å; I59-Q62 PolarHBondContact O-N 2.85Å; R60-Q62 VanDerWaalsContact C-N 3.3Å; R60-Q62 PolarHBondContact O-N 3.29Å; Q62-V64 VanDerWaalsContact C-N 3.31Å; Q62-V64 PolarHBondContact O-N 3.05Å
63L64.8Low63.5Low65 Ų6580.7 Ų80.734%0.3440%0.403SS..Hα-helixtrans-72.1-15.8178.2-80164.5000114.7F36 R39 I59 R60 E65F36-L63 HydrophobicContact CD1-CD1 3.8Å; F36-L63 HydrophobicContact CE1-CD1 4.09Å; R39-L63 WeakPolarHBondContact O-CD2 3.39Å; I59-L63 HydrophobicContact CG2-CD1 3.63Å; I59-L63 HydrophobicContact CG2-CG 4.33Å; I59-L63 WeakPolarHBondContact O-CB 3.27Å; I59-L63 VanDerWaalsContact O-CG 3.3Å; I59-L63 WeakPolarHBondContact O-CG 3.39Å; I59-L63 PolarHBondContact O-N 3.5Å; R60-L63 PolarHBondContact O-N 2.86Å; L63-E65 PolarHBondContact O-N 2.78Å
64V59.4Low62.5Low73 Ų7378.2 Ų78.244%0.44239%0.388SS..SBendtrans-58.6103.7-179.1177.40000109.4R41 R60 Q62 T66R41-V64 PolarHBondContact NH2-O 2.99Å; R60-V64 WeakPolarHBondContact O-CG2 3.21Å; R60-V64 PolarHBondContact O-N 2.63Å; Q62-V64 VanDerWaalsContact C-N 3.31Å; Q62-V64 PolarHBondContact O-N 3.05Å; V64-T66 PolarHBondContact O-N 3.18Å; V64-T66 VanDerWaalsContact O-N 3.16Å
65E51.7Low61.5Low128 Ų12879.1 Ų79.160%0.59839%0.389SS*.  trans-54.8119.1-177.5-79.1179.7161.700111.7L63 H69L63-E65 PolarHBondContact O-N 2.78Å; E65-H69 IonicContact OE1-CD2 2.7Å; E65-H69 IonicContact OE1-CE1 2.89Å; E65-H69 IonicContact OE1-NE2 3.86Å; E65-H69 PolarHBondContact OE1-NE2 3.19Å; E65-H69 IonicContact OE2-NE2 3.37Å
66T45.4Very low60.8Low30 Ų3082.5 Ų82.518%0.18441%0.407CS..SBendtrans-98.4109.6164.4-40.40000105.8R41 V64R41-T66 PolarHBondContact NH1-OG1 2.89Å; R41-T66 PolarHBondContact NH2-OG1 3.11Å; V64-T66 PolarHBondContact O-N 3.18Å; V64-T66 VanDerWaalsContact O-N 3.16Å
67I44.5Very low60.3Low54 Ų5483.6 Ų83.628%0.27741%0.412SS..SBendtrans83.5119.4178.4-50.4160.6000113.9A82 A93I67-A82 HydrophobicContact CD1-CB 4.48Å; I67-A93 HydrophobicContact CD1-CB 3.88Å; I67-A93 HydrophobicContact CG1-CB 4.46Å
68R38.4Very low59.6Low226 Ų22680.1 Ų80.185%0.85339%0.393SS*.  trans-61.9136.4-176-69.1177.4173.2170.3-2.1111.4S70R68-S70 PolarHBondContact O-N 3.35Å
69H37.1Very low59Low161 Ų16180.1 Ų80.175%0.74540%0.396SS*.  trans-22.9121170.4-68.3-93.5000115.5E65E65-H69 IonicContact OE1-CD2 2.7Å; E65-H69 IonicContact OE1-CE1 2.89Å; E65-H69 IonicContact OE1-NE2 3.86Å; E65-H69 PolarHBondContact OE1-NE2 3.19Å; E65-H69 IonicContact OE2-NE2 3.37Å
70S41.2Very low58.8Low44 Ų4483.1 Ų83.131%0.30841%0.412SS..  trans-147.8146.1166.562.10000111.2R68 T72 E75R68-S70 PolarHBondContact O-N 3.35Å; S70-T72 PolarHBondContact O-N 3.2Å; S70-E75 WeakPolarHBondContact OG-CB 3.22Å; S70-E75 WeakPolarHBondContact OG-CG 3.23Å; S70-E75 PolarHBondContact OG-OE2 3.02Å
71N49.3Very low58.6Low172 Ų17277.3 Ų77.392%0.9239%0.391SS*.  trans-94.724.8-161.1-62.5-21.7000114.5
72T59.7Low58.4Low81 Ų8174.9 Ų74.950%0.49737%0.374SS..  trans-116.5139.2-177.449.10000111.5S70 E74 E75 L76S70-T72 PolarHBondContact O-N 3.2Å; T72-E74 PolarHBondContact O-N 3.33Å; T72-E75 PolarHBondContact O-N 3.47Å; T72-E75 VanDerWaalsContact OG1-CG 3.23Å; T72-E75 WeakPolarHBondContact OG1-CG 3.23Å; T72-L76 PolarHBondContact O-N 3.45Å; T72-L76 VanDerWaalsContact O-N 3.09Å
73E63.5Low58.4Low158 Ų15874.2 Ų74.274%0.73837%0.373SS*.Hα-helixtrans-57.6-33.8-177.4-166.8174.4-170.900112.6L76 N77E73-L76 PolarHBondContact O-N 3.27Å; E73-N77 PolarHBondContact O-N 3.34Å; E73-N77 VanDerWaalsContact O-N 3.14Å
74E64.1Low58.8Low67 Ų6773.6 Ų73.631%0.31337%0.373SS..Hα-helixtrans-66.1-39.3176.1-163.1-173.6166.300112.9T72 K78 L115 L116T72-E74 PolarHBondContact O-N 3.33Å; E74-K78 WeakPolarHBondContact O-CG 3.44Å; E74-K78 PolarHBondContact O-N 3.38Å; E74-L115 HydrophobicContact CG-CB 3.93Å; E74-L115 WeakPolarHBondContact OE1-CB 2.97Å; E74-L115 WeakPolarHBondContact OE1-CD1 3.39Å; E74-L116 HydrophobicContact CB-CD2 4.1Å; E74-L116 HydrophobicContact CG-CD2 4.14Å
75E64.4Low59.4Low38 Ų3870.8 Ų70.818%0.17836%0.356CS..Hα-helixtrans-73.2-37.1176.7-71.2-9711400111S70 T72 N77 K78 T79S70-E75 WeakPolarHBondContact OG-CB 3.22Å; S70-E75 WeakPolarHBondContact OG-CG 3.23Å; S70-E75 PolarHBondContact OG-OE2 3.02Å; T72-E75 PolarHBondContact O-N 3.47Å; T72-E75 VanDerWaalsContact OG1-CG 3.23Å; T72-E75 WeakPolarHBondContact OG1-CG 3.23Å; E75-N77 VanDerWaalsContact C-N 3.29Å; E75-N77 PolarHBondContact O-N 3.21Å; E75-K78 WeakPolarHBondContact O-CB 3.29Å; E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.17Å; E75-K78 IonicContact OE1-NZ 3.22Å; E75-K78 PolarHBondContact OE1-NZ 3.28Å; E75-T79 PolarHBondContact O-N 3.11Å; E75-T79 PolarHBondContact O-OG1 3.47Å
76L64.1Low60.5Low81 Ų8168.8 Ų68.842%0.42434%0.343SS..Hα-helixtrans-59.5-41.3175.5-155.288.6000111.5T72 E73 T79 N80T72-L76 PolarHBondContact O-N 3.45Å; T72-L76 VanDerWaalsContact O-N 3.09Å; E73-L76 PolarHBondContact O-N 3.27Å; L76-T79 PolarHBondContact O-N 3.48Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 VanDerWaalsContact O-CG 3.3Å; L76-N80 PolarHBondContact O-N 3.35Å; L76-N80 PolarHBondContact O-ND2 3.37Å
77N66.6Low61.7Low29 Ų2972 Ų7216%0.15536%0.359CS..Hα-helixtrans-62.2-43.4175.2-81.6-26.2000112.3E73 E75 N80 I81 N118E73-N77 PolarHBondContact O-N 3.34Å; E73-N77 VanDerWaalsContact O-N 3.14Å; E75-N77 VanDerWaalsContact C-N 3.29Å; E75-N77 PolarHBondContact O-N 3.21Å; N77-N80 PolarHBondContact O-N 2.96Å; N77-I81 WeakPolarHBondContact O-CG1 3.31Å; N77-I81 PolarHBondContact O-N 3.37Å; N77-I81 VanDerWaalsContact O-N 3.13Å; N77-N118 PolarHBondContact OD1-ND2 2.78Å
78K66.4Low63.1Low18 Ų1873.4 Ų73.48%0.07837%0.365CS..Hα-helixtrans-60.4-47174.4-65.1172.8-165168.10111.1E74 E75 N80 I81 A82 V98E74-K78 WeakPolarHBondContact O-CG 3.44Å; E74-K78 PolarHBondContact O-N 3.38Å; E75-K78 WeakPolarHBondContact O-CB 3.29Å; E75-K78 PolarHBondContact O-N 3.3Å; E75-K78 VanDerWaalsContact O-N 3.17Å; E75-K78 IonicContact OE1-NZ 3.22Å; E75-K78 PolarHBondContact OE1-NZ 3.28Å; K78-N80 VanDerWaalsContact C-N 3.35Å; K78-N80 PolarHBondContact O-N 2.98Å; K78-I81 PolarHBondContact O-N 2.77Å; K78-A82 VanDerWaalsContact O-CB 3.25Å; K78-A82 WeakPolarHBondContact O-CB 3.3Å; K78-A82 PolarHBondContact O-N 2.79Å; K78-V98 HydrophobicContact CD-CG2 4.4Å; K78-V98 HydrophobicContact CG-CG2 4.24Å
79T67.3Low64.7Low39 Ų3963.7 Ų63.724%0.23933%0.331CS..Hα-helixtrans-61.7-43.1-179.1-53.50000111.1E75 L76 S83E75-T79 PolarHBondContact O-N 3.11Å; E75-T79 PolarHBondContact O-OG1 3.47Å; L76-T79 PolarHBondContact O-N 3.48Å; T79-S83 WeakPolarHBondContact O-CB 3.43Å; T79-S83 PolarHBondContact O-N 2.88Å
80N68.9Low66.3Low72 Ų7263.8 Ų63.839%0.38533%0.332SS..Hα-helixtrans-62.6-44177.5-74.6-18.4000112.3L76 N77 K78 S83 S84L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 VanDerWaalsContact O-CG 3.3Å; L76-N80 PolarHBondContact O-N 3.35Å; L76-N80 PolarHBondContact O-ND2 3.37Å; N77-N80 PolarHBondContact O-N 2.96Å; K78-N80 VanDerWaalsContact C-N 3.35Å; K78-N80 PolarHBondContact O-N 2.98Å; N80-S83 WeakPolarHBondContact O-CB 3.34Å; N80-S83 PolarHBondContact O-N 2.92Å; N80-S83 PolarHBondContact O-OG 3.16Å; N80-S84 PolarHBondContact O-N 2.86Å; N80-S84 VanDerWaalsContact O-N 3.16Å
81I69.9Low67.5Low7 Ų763.8 Ų63.84%0.03633%0.326CS..Hα-helixtrans-72.7-43.2-179.6-57.3165.9000111.2N77 K78 S83 S84 L85 L121 K122 I125N77-I81 WeakPolarHBondContact O-CG1 3.31Å; N77-I81 PolarHBondContact O-N 3.37Å; N77-I81 VanDerWaalsContact O-N 3.13Å; K78-I81 PolarHBondContact O-N 2.77Å; I81-S83 PolarHBondContact O-N 3.43Å; I81-S84 PolarHBondContact O-N 3.39Å; I81-S84 VanDerWaalsContact O-N 3.09Å; I81-L85 HydrophobicContact CG2-CD1 4.21Å; I81-L85 PolarHBondContact O-N 2.9Å; I81-L121 HydrophobicContact CD1-CB 4.08Å; I81-L121 HydrophobicContact CD1-CD2 3.63Å; I81-L121 HydrophobicContact CD1-CG 3.64Å; I81-K122 HydrophobicContact CD1-CB 4.26Å; I81-I125 HydrophobicContact CB-CD1 4.1Å; I81-I125 HydrophobicContact CD1-CD1 4.35Å; I81-I125 HydrophobicContact CG2-CB 4.1Å; I81-I125 HydrophobicContact CG2-CD1 3.4Å; I81-I125 HydrophobicContact CG2-CG1 4.29Å; I81-I125 HydrophobicContact CG2-CG2 4.12Å
82A70.6Confident68.2Low3 Ų359.6 Ų59.63%0.02530%0.301CS..Hα-helixtrans-57.7-34.7173.400000111.5I67 K78 R86 F91I67-A82 HydrophobicContact CD1-CB 4.48Å; K78-A82 VanDerWaalsContact O-CB 3.25Å; K78-A82 WeakPolarHBondContact O-CB 3.3Å; K78-A82 PolarHBondContact O-N 2.79Å; A82-R86 WeakPolarHBondContact O-CA 2.98Å; A82-R86 WeakPolarHBondContact O-CB 3.43Å; A82-R86 PolarHBondContact O-N 2.91Å; A82-R86 VanDerWaalsContact O-N 3.13Å; A82-F91 HydrophobicContact CB-CB 3.91Å; A82-F91 HydrophobicContact CB-CD1 3.98Å; A82-F91 HydrophobicContact CB-CD2 3.93Å; A82-F91 HydrophobicContact CB-CE2 4.5Å; A82-F91 HydrophobicContact CB-CG 3.65Å
83S70Confident68Low13 Ų1358 Ų589%0.09130%0.296CS..Hα-helixtrans-65.8-41.117686.60000113.4T79 N80 I81T79-S83 WeakPolarHBondContact O-CB 3.43Å; T79-S83 PolarHBondContact O-N 2.88Å; N80-S83 WeakPolarHBondContact O-CB 3.34Å; N80-S83 PolarHBondContact O-N 2.92Å; N80-S83 PolarHBondContact O-OG 3.16Å; I81-S83 PolarHBondContact O-N 3.43Å
84S72.1Confident67.6Low51 Ų5156.3 Ų56.336%0.35729%0.287SS..Hα-helixtrans-75-26.3-176.3-178.90000112.9N80 I81N80-S84 PolarHBondContact O-N 2.86Å; N80-S84 VanDerWaalsContact O-N 3.16Å; I81-S84 PolarHBondContact O-N 3.39Å; I81-S84 VanDerWaalsContact O-N 3.09Å
85L72.6Confident67.3Low14 Ų1460.7 Ų60.77%0.07331%0.31CS..THydrogen-bonded Turntrans-116.713-173.7-70.3170.7000113.1I81 D87 E88 C89 F91 I125 I130I81-L85 HydrophobicContact CG2-CD1 4.21Å; I81-L85 PolarHBondContact O-N 2.9Å; L85-D87 PolarHBondContact O-N 3.47Å; L85-E88 HydrophobicContact CD2-CG 4.22Å; L85-E88 PolarHBondContact O-N 3.1Å; L85-C89 PolarHBondContact O-N 3.11Å; L85-F91 HydrophobicContact CB-CE2 3.88Å; L85-F91 HydrophobicContact CB-CZ 3.7Å; L85-I125 HydrophobicContact CD1-CB 4.08Å; L85-I125 HydrophobicContact CD1-CG2 3.37Å; L85-I130 HydrophobicContact CD2-CD1 4.45Å
86R73.6Confident67.3Low87 Ų8768.8 Ų68.833%0.32834%0.339SS..THydrogen-bonded Turntrans-53.6-37.4-177.5179.8-173.6175.6-158.51.7114S61 A82 E88 C89S61-R86 PolarHBondContact O-NH1 3.49Å; A82-R86 WeakPolarHBondContact O-CA 2.98Å; A82-R86 WeakPolarHBondContact O-CB 3.43Å; A82-R86 PolarHBondContact O-N 2.91Å; A82-R86 VanDerWaalsContact O-N 3.13Å; R86-E88 VanDerWaalsContact C-N 3.28Å; R86-C89 VanDerWaalsContact O-O 3.1Å
87D71.4Confident67.4Low98 Ų9870 Ų7052%0.52434%0.343SS..THydrogen-bonded Turntrans-77.1-19.9-178.5-59.8-24.3000112.3K44 L85K44-D87 WeakPolarHBondContact CD-OD2 3.45Å; K44-D87 VanDerWaalsContact NZ-CB 3.32Å; K44-D87 IonicContact NZ-OD2 3.76Å; K44-D87 PolarHBondContact NZ-OD2 3.34Å; L85-D87 PolarHBondContact O-N 3.47Å
88E73.3Confident67.5Low83 Ų8369.5 Ų69.539%0.38834%0.341SS..THydrogen-bonded Turntrans-97.7-22.4-177.8-49.3-60.5140.100111.8K44 L85 R86 C129K44-E88 IonicContact NZ-OE1 3.69Å; K44-E88 PolarHBondContact NZ-OE1 3.35Å; L85-E88 HydrophobicContact CD2-CG 4.22Å; L85-E88 PolarHBondContact O-N 3.1Å; R86-E88 VanDerWaalsContact C-N 3.28Å; E88-C129 HydrophobicContact CB-CB 4.32Å
89C72.8Confident67.8Low22 Ų2270.6 Ų70.615%0.14935%0.347CS..  trans-149.8143.5-171.9-101.10000113.1L85 R86 F91 C129L85-C89 PolarHBondContact O-N 3.11Å; R86-C89 VanDerWaalsContact O-O 3.1Å; C89-F91 HydrophobicContact CB-CD2 4.18Å; C89-F91 HydrophobicContact CB-CE2 3.48Å; C89-F91 VanDerWaalsContact CB-CE2 3.48Å; C89-F91 HydrophobicContact CB-CZ 3.67Å; C89-F91 VanDerWaalsContact O-CD2 3.28Å; C89-F91 WeakPolarHBondContact O-CD2 3.4Å; C89-F91 WeakPolarHBondContact O-CE2 3.4Å; C89-C129 HydrophobicContact CB-CB 3.84Å; C89-C129 WeakPolarHBondContact CB-SG 3.39Å; C89-C129 WeakPolarHBondContact SG-CA 3.47Å; C89-C129 WeakPolarHBondContact SG-CB 3.09Å; C89-C129 CovalentContact SG-SG 2.03Å; C89-C129 PolarHBondContact SG-SG 3.33Å
90E70Confident68.1Low163 Ų16370.7 Ų70.776%0.76234%0.344SS*.  trans-85124.8165.1-165.4174.5177.700110.1H92E90-H92 IonicContact OE1-CE1 3.92Å; E90-H92 PolarHBondContact OE1-CE1 3.35Å; E90-H92 IonicContact OE1-NE2 2.73Å; E90-H92 PolarHBondContact OE1-NE2 2.93Å
91F66.1Low68.2Low43 Ų4371.9 Ų71.919%0.18935%0.35CS..  trans-106.2122.8-177.1-69.8-88.7000111.4A82 L85 C89 I125A82-F91 HydrophobicContact CB-CB 3.91Å; A82-F91 HydrophobicContact CB-CD1 3.98Å; A82-F91 HydrophobicContact CB-CD2 3.93Å; A82-F91 HydrophobicContact CB-CE2 4.5Å; A82-F91 HydrophobicContact CB-CG 3.65Å; L85-F91 HydrophobicContact CB-CE2 3.88Å; L85-F91 HydrophobicContact CB-CZ 3.7Å; C89-F91 HydrophobicContact CB-CD2 4.18Å; C89-F91 HydrophobicContact CB-CE2 3.48Å; C89-F91 VanDerWaalsContact CB-CE2 3.48Å; C89-F91 HydrophobicContact CB-CZ 3.67Å; C89-F91 VanDerWaalsContact O-CD2 3.28Å; C89-F91 WeakPolarHBondContact O-CD2 3.4Å; C89-F91 WeakPolarHBondContact O-CE2 3.4Å; F91-I125 HydrophobicContact CE1-CD1 4.29Å; F91-I125 HydrophobicContact CE1-CG2 3.6Å; F91-I125 HydrophobicContact CZ-CG2 3.65Å
92H64.1Low68.2Low84 Ų8472.7 Ų72.739%0.38936%0.356SS..  trans-113.4122.2170.1-57.1-83.1000109.6E90 F94E90-H92 IonicContact OE1-CE1 3.92Å; E90-H92 PolarHBondContact OE1-CE1 3.35Å; E90-H92 IonicContact OE1-NE2 2.73Å; E90-H92 PolarHBondContact OE1-NE2 2.93Å; H92-F94 HydrophobicContact CB-CE2 4.05Å
93A56.2Low68.1Low48 Ų4880.7 Ų80.740%0.39739%0.393SS..EExtended strand (participates in β ladder)trans-96120.5174.600000110.1I67I67-A93 HydrophobicContact CD1-CB 3.88Å; I67-A93 HydrophobicContact CG1-CB 4.46Å
94F56.2Low67.9Low123 Ų12382.5 Ų82.554%0.53941%0.406SS..EExtended strand (participates in β ladder)trans-105.5147.5164.4-68.8-90.7000108.5H92 R96 Q97 L99H92-F94 HydrophobicContact CB-CE2 4.05Å; F94-R96 PolarHBondContact O-N 3.35Å; F94-Q97 PolarHBondContact O-N 3.08Å; F94-Q97 VanDerWaalsContact O-N 3.1Å; F94-L99 HydrophobicContact CD2-CD1 3.68Å; F94-L99 HydrophobicContact CE2-CD1 4.07Å; F94-L99 HydrophobicContact CG-CD1 4.45Å
95I57.6Low67.4Low158 Ų15885.8 Ų85.881%0.8143%0.426SS*.THydrogen-bonded Turntrans-46.7-17.9-159.5-66.6167.6000115.4
96R63.3Low66.9Low208 Ų20892.1 Ų92.179%0.78546%0.46SS*.THydrogen-bonded Turntrans-145.96.8177.4-65.6-168.8165.8-174.3-7.5116.9F94 L115F94-R96 PolarHBondContact O-N 3.35Å; R96-L115 WeakPolarHBondContact O-CD1 3.26Å
97Q65.8Low66.9Low106 Ų10692.8 Ų92.850%0.49547%0.467SS..EExtended strand (participates in β ladder)trans-143.7144.3-173.5-68.1-178.2-100111.4F94F94-Q97 PolarHBondContact O-N 3.08Å; F94-Q97 VanDerWaalsContact O-N 3.1Å
98V69.1Low67Low19 Ų1995.7 Ų95.712%0.11547%0.47CS..EExtended strand (participates in β ladder)trans-98.4126.4169.8176.30000107.6K78 Y111 L115 W124K78-V98 HydrophobicContact CD-CG2 4.4Å; K78-V98 HydrophobicContact CG-CG2 4.24Å; V98-Y111 PolarHBondContact O-N 3.32Å; V98-Y111 VanDerWaalsContact O-N 3.11Å; V98-L115 HydrophobicContact CB-CD2 4.06Å; V98-L115 HydrophobicContact CG2-CD2 3.5Å; V98-W124 HydrophobicContact CG1-CZ3 4.13Å
99L72.1Confident67.2Low42 Ų4294.6 Ų94.622%0.2247%0.467CS..EExtended strand (participates in β ladder)trans-115.4131.9179.7-65161.1000107.9F94 W108 V110F94-L99 HydrophobicContact CD2-CD1 3.68Å; F94-L99 HydrophobicContact CE2-CD1 4.07Å; F94-L99 HydrophobicContact CG-CD1 4.45Å; L99-W108 HydrophobicContact CD2-CB 4.42Å; L99-W108 HydrophobicContact CD2-CG 4.43Å; L99-V110 HydrophobicContact CD2-CB 4.43Å; L99-V110 HydrophobicContact CD2-CG2 3.69Å
100F73.9Confident67.5Low40 Ų4096.6 Ų96.618%0.17548%0.478CS..EExtended strand (participates in β ladder)trans-96.2118.2164.3176.3-101.7000108.2W108 I109 W124 K128F100-W108 CarbonylContact O-C 3.53Å; F100-W108 VanDerWaalsContact O-CA 3.28Å; F100-W108 WeakPolarHBondContact O-CA 3.42Å; F100-I109 HydrophobicContact CD1-CD1 4.29Å; F100-I109 PolarHBondContact N-O 2.81Å; F100-I109 PolarHBondContact O-N 3.43Å; F100-W124 HydrophobicContact CB-CH2 3.47Å; F100-W124 VanDerWaalsContact CB-CH2 3.47Å; F100-W124 HydrophobicContact CB-CZ2 4.17Å; F100-W124 HydrophobicContact CB-CZ3 4.1Å; F100-K128 HydrophobicContact CD1-CB 4.15Å; F100-K128 HydrophobicContact CD1-CD 4.46Å; F100-K128 HydrophobicContact CD1-CG 4.4Å; F100-K128 HydrophobicContact CD2-CB 3.62Å; F100-K128 HydrophobicContact CE1-CB 4.21Å; F100-K128 HydrophobicContact CE2-CB 3.69Å; F100-K128 WeakPolarHBondContact CE2-O 3.46Å; F100-K128 HydrophobicContact CG-CB 3.85Å; F100-K128 HydrophobicContact CG-CG 4.27Å; F100-K128 HydrophobicContact CZ-CB 3.99Å; F100-K128 VanDerWaalsContact CZ-O 3.26Å; F100-K128 WeakPolarHBondContact CZ-O 3.41Å
101I71.9Confident68Low97 Ų9789.8 Ų89.850%0.49745%0.445SS..EExtended strand (participates in β ladder)trans-93.9116.2175.1-57.8173.5000106.6
102S70.1Confident68.6Low25 Ų2593.1 Ų93.118%0.17547%0.471CS..PPolyproline II helixtrans-78.3172.8176.987.80000111.4S104 E107S102-S104 PolarHBondContact O-N 3.1Å; S102-S104 WeakPolarHBondContact OG-CB 3.42Å; S102-S104 PolarHBondContact OG-N 3.17Å; S102-S104 PolarHBondContact OG-OG 3.45Å; S102-E107 PolarHBondContact N-O 2.82Å; S102-E107 VanDerWaalsContact N-O 3.09Å
103E67.5Low69.3Low170 Ų17093.5 Ų93.579%0.79448%0.477SS*.SBendtrans-63.8-19.2171.6-66.9-170.8170.500113.4
104S65.5Low70.2Confident51 Ų5195.3 Ų95.336%0.35748%0.479SS..SBendtrans-71.5125.9175.9-37.90000109.5S102 N106 E107S102-S104 PolarHBondContact O-N 3.1Å; S102-S104 WeakPolarHBondContact OG-CB 3.42Å; S102-S104 PolarHBondContact OG-N 3.17Å; S102-S104 PolarHBondContact OG-OG 3.45Å; S104-N106 PolarHBondContact O-N 3.14Å; S104-E107 WeakPolarHBondContact CB-OE2 3.31Å; S104-E107 PolarHBondContact O-N 2.83Å; S104-E107 PolarHBondContact OG-OE2 3.12Å
105P63.3Low71Confident121 Ų12190 Ų9079%0.78646%0.457SS*.THydrogen-bonded Turntrans-58.5129.2175.823-31000110
106N61.9Low71.7Confident146 Ų14687.2 Ų87.278%0.78144%0.443SS*.THydrogen-bonded Turntrans69.317.1-180-57.1-22.2000117S104S104-N106 PolarHBondContact O-N 3.14Å
107E72.8Confident72.4Confident101 Ų10180.8 Ų80.847%0.47242%0.424SS..  trans-103.4105.5171.7-167.4176.1-175.100110.1S102 S104S102-E107 PolarHBondContact N-O 2.82Å; S102-E107 VanDerWaalsContact N-O 3.09Å; S104-E107 WeakPolarHBondContact CB-OE2 3.31Å; S104-E107 PolarHBondContact O-N 2.83Å; S104-E107 PolarHBondContact OG-OE2 3.12Å
108W74.6Confident72.8Confident159 Ų15978.4 Ų78.460%0.60242%0.415SS*.EExtended strand (participates in β ladder)trans-115.5138.5171.354.772.9000111L99 F100L99-W108 HydrophobicContact CD2-CB 4.42Å; L99-W108 HydrophobicContact CD2-CG 4.43Å; F100-W108 CarbonylContact O-C 3.53Å; F100-W108 VanDerWaalsContact O-CA 3.28Å; F100-W108 WeakPolarHBondContact O-CA 3.42Å
109I77.3Confident73.4Confident61 Ų6182.9 Ų82.931%0.31344%0.442SS..EExtended strand (participates in β ladder)trans-108.6118.9176-52.4176.2000107.3F100 W124F100-I109 HydrophobicContact CD1-CD1 4.29Å; F100-I109 PolarHBondContact N-O 2.81Å; F100-I109 PolarHBondContact O-N 3.43Å; I109-W124 HydrophobicContact CB-CZ2 4.33Å; I109-W124 HydrophobicContact CG2-CZ2 3.95Å
110V79Confident73.9Confident64 Ų6482.2 Ų82.239%0.38844%0.443SS..EExtended strand (participates in β ladder)trans-76.6132.1173.8-176.30000108.3L99 P112L99-V110 HydrophobicContact CD2-CB 4.43Å; L99-V110 HydrophobicContact CD2-CG2 3.69Å; V110-P112 WeakPolarHBondContact O-CD 3.31Å
111Y79.2Confident74.1Confident19 Ų1980.4 Ų80.48%0.07543%0.434CS..  trans-61.2121.1170.6179.9-115.1000109.8V98 D113 L115 A120 L121 W124V98-Y111 PolarHBondContact O-N 3.32Å; V98-Y111 VanDerWaalsContact O-N 3.11Å; Y111-D113 WeakPolarHBondContact CD1-O 3.17Å; Y111-D113 VanDerWaalsContact CE1-C 3.42Å; Y111-D113 HydrophobicContact CE1-CB 3.81Å; Y111-D113 WeakPolarHBondContact CE1-O 3.02Å; Y111-D113 HydrophobicContact CE2-CB 4.33Å; Y111-D113 PolarHBondContact O-N 3.1Å; Y111-L115 HydrophobicContact CD1-CD2 3.76Å; Y111-L115 HydrophobicContact CE1-CD2 4.28Å; Y111-A120 VanDerWaalsContact OH-C 3.28Å; Y111-A120 VanDerWaalsContact OH-CB 3.3Å; Y111-A120 WeakPolarHBondContact OH-CB 3.33Å; Y111-L121 HydrophobicContact CD1-CD1 3.92Å; Y111-L121 HydrophobicContact CD2-CD1 4.1Å; Y111-L121 HydrophobicContact CE1-CB 4.36Å; Y111-L121 HydrophobicContact CE1-CD1 3.9Å; Y111-L121 HydrophobicContact CE2-CD1 4.12Å; Y111-L121 HydrophobicContact CG-CD1 4Å; Y111-L121 WeakPolarHBondContact OH-CA 3.35Å; Y111-L121 PolarHBondContact OH-N 3.11Å; Y111-L121 VanDerWaalsContact OH-N 3.12Å; Y111-W124 HydrophobicContact CD2-CB 3.98Å; Y111-W124 AromaticContact CD2-CD2 3.48Å; Y111-W124 HydrophobicContact CD2-CD2 3.48Å; Y111-W124 VanDerWaalsContact CD2-CD2 3.48Å; Y111-W124 AromaticContact CD2-CE2 3.92Å; Y111-W124 AromaticContact CD2-CE3 3.74Å; Y111-W124 HydrophobicContact CD2-CE3 3.74Å; Y111-W124 AromaticContact CD2-CG 3.58Å; Y111-W124 HydrophobicContact CD2-CG 3.58Å; Y111-W124 HydrophobicContact CD2-CZ3 4.37Å; Y111-W124 HydrophobicContact CE2-CB 3.64Å; Y111-W124 HydrophobicContact CE2-CD2 4.12Å; Y111-W124 AromaticContact CE2-CG 3.74Å; Y111-W124 HydrophobicContact CE2-CG 3.74Å; Y111-W124 HydrophobicContact CG-CD2 4.47Å; Y111-W124 HydrophobicContact CG-CE3 4.43Å
112P79.8Confident74.5Confident113 Ų11381 Ų8173%0.73443%0.433SS*.  trans-81.3-14.1-168.530.7-35.8000114.5V110V110-P112 WeakPolarHBondContact O-CD 3.31Å
113D78.5Confident75.1Confident93 Ų9386.1 Ų86.150%0.49745%0.454SS..SBendtrans-111.6178.9-169.8-159-4.9000111.8Y111 L115Y111-D113 WeakPolarHBondContact CD1-O 3.17Å; Y111-D113 VanDerWaalsContact CE1-C 3.42Å; Y111-D113 HydrophobicContact CE1-CB 3.81Å; Y111-D113 WeakPolarHBondContact CE1-O 3.02Å; Y111-D113 HydrophobicContact CE2-CB 4.33Å; Y111-D113 PolarHBondContact O-N 3.1Å; D113-L115 PolarHBondContact O-N 3.16Å
114N74.5Confident75.7Confident85 Ų8579.5 Ų79.546%0.45542%0.422SS..  trans-71.5127.2-179-170.5-12000111.6L116 N117N114-L116 PolarHBondContact O-N 3.2Å; N114-L116 VanDerWaalsContact O-N 3.12Å; N114-L116 WeakPolarHBondContact OD1-CG 3.37Å; N114-L116 PolarHBondContact OD1-N 3.27Å; N114-N117 PolarHBondContact O-N 2.72Å
115L72.9Confident76.4Confident12 Ų1277.5 Ų77.56%0.06341%0.407CS..THydrogen-bonded Turntrans-62.6-17.1178.4-64.9172.7000114E74 R96 V98 Y111 D113 N117 L121E74-L115 HydrophobicContact CG-CB 3.93Å; E74-L115 WeakPolarHBondContact OE1-CB 2.97Å; E74-L115 WeakPolarHBondContact OE1-CD1 3.39Å; R96-L115 WeakPolarHBondContact O-CD1 3.26Å; V98-L115 HydrophobicContact CB-CD2 4.06Å; V98-L115 HydrophobicContact CG2-CD2 3.5Å; Y111-L115 HydrophobicContact CD1-CD2 3.76Å; Y111-L115 HydrophobicContact CE1-CD2 4.28Å; D113-L115 PolarHBondContact O-N 3.16Å; L115-N117 VanDerWaalsContact C-N 3.28Å; L115-N117 PolarHBondContact O-N 3.33Å; L115-L121 HydrophobicContact CD2-CD1 4.23Å; L115-L121 HydrophobicContact CD2-CD2 4.22Å
116L73.1Confident77.2Confident100 Ų10076.3 Ų76.352%0.52439%0.391SS..THydrogen-bonded Turntrans-70.5-22.9174.4-63.8176.3000113E74 N114 N118E74-L116 HydrophobicContact CB-CD2 4.1Å; E74-L116 HydrophobicContact CG-CD2 4.14Å; N114-L116 PolarHBondContact O-N 3.2Å; N114-L116 VanDerWaalsContact O-N 3.12Å; N114-L116 WeakPolarHBondContact OD1-CG 3.37Å; N114-L116 PolarHBondContact OD1-N 3.27Å; L116-N118 PolarHBondContact O-N 3.16Å
117N77.2Confident78.1Confident73 Ų7374.9 Ų74.939%0.3938%0.38SS..  trans-8384.4178.9-169.4-9.2000110.9N114 L115 V119 A120 L121N114-N117 PolarHBondContact O-N 2.72Å; L115-N117 VanDerWaalsContact C-N 3.28Å; L115-N117 PolarHBondContact O-N 3.33Å; N117-V119 PolarHBondContact O-N 2.99Å; N117-V119 VanDerWaalsContact O-N 3.16Å; N117-V119 PolarHBondContact OD1-N 2.82Å; N117-A120 HydrophobicContact CB-CB 4.13Å; N117-A120 WeakPolarHBondContact ND2-CB 3.48Å; N117-A120 PolarHBondContact O-N 3.05Å; N117-A120 PolarHBondContact OD1-N 2.97Å; N117-L121 WeakPolarHBondContact O-CB 3.41Å; N117-L121 PolarHBondContact O-N 3.19Å
118N75.2Confident78.5Confident55 Ų5573.2 Ų73.229%0.29437%0.371SS..Hα-helixtrans-53.9-36.7-179.2-170.6-57.3000112.4N77 L116 K122N77-N118 PolarHBondContact OD1-ND2 2.78Å; L116-N118 PolarHBondContact O-N 3.16Å; N118-K122 WeakPolarHBondContact O-CB 3.44Å; N118-K122 PolarHBondContact O-N 3.17Å
119V81.7Confident78.8Confident114 Ų11466 Ų6669%0.69134%0.344SS*.Hα-helixtrans-66.1-49.6-179.3-177.80000111.2N117 H123N117-V119 PolarHBondContact O-N 2.99Å; N117-V119 VanDerWaalsContact O-N 3.16Å; N117-V119 PolarHBondContact OD1-N 2.82Å; V119-H123 WeakPolarHBondContact O-CB 3.39Å; V119-H123 PolarHBondContact O-N 3.45Å
120A82.5Confident79Confident28 Ų2864.8 Ų64.823%0.23134%0.338CS..Hα-helixtrans-67.2-40.8179.300000111.5Y111 N117 H123 W124Y111-A120 VanDerWaalsContact OH-C 3.28Å; Y111-A120 VanDerWaalsContact OH-CB 3.3Å; Y111-A120 WeakPolarHBondContact OH-CB 3.33Å; N117-A120 HydrophobicContact CB-CB 4.13Å; N117-A120 WeakPolarHBondContact ND2-CB 3.48Å; N117-A120 PolarHBondContact O-N 3.05Å; N117-A120 PolarHBondContact OD1-N 2.97Å; A120-H123 PolarHBondContact O-N 2.88Å; A120-W124 WeakPolarHBondContact O-CB 3.44Å; A120-W124 PolarHBondContact O-N 2.95Å
121L78.7Confident79.3Confident1 Ų165 Ų651%0.00534%0.341CS..Hα-helixtrans-64.4-46.6178-178.660000111I81 Y111 L115 N117 H123 W124 I125I81-L121 HydrophobicContact CD1-CB 4.08Å; I81-L121 HydrophobicContact CD1-CD2 3.63Å; I81-L121 HydrophobicContact CD1-CG 3.64Å; Y111-L121 HydrophobicContact CD1-CD1 3.92Å; Y111-L121 HydrophobicContact CD2-CD1 4.1Å; Y111-L121 HydrophobicContact CE1-CB 4.36Å; Y111-L121 HydrophobicContact CE1-CD1 3.9Å; Y111-L121 HydrophobicContact CE2-CD1 4.12Å; Y111-L121 HydrophobicContact CG-CD1 4Å; Y111-L121 WeakPolarHBondContact OH-CA 3.35Å; Y111-L121 PolarHBondContact OH-N 3.11Å; Y111-L121 VanDerWaalsContact OH-N 3.12Å; L115-L121 HydrophobicContact CD2-CD1 4.23Å; L115-L121 HydrophobicContact CD2-CD2 4.22Å; N117-L121 WeakPolarHBondContact O-CB 3.41Å; N117-L121 PolarHBondContact O-N 3.19Å; L121-H123 VanDerWaalsContact C-N 3.33Å; L121-H123 PolarHBondContact O-N 2.88Å; L121-W124 PolarHBondContact O-N 3.42Å; L121-I125 HydrophobicContact CD1-CD1 3.75Å; L121-I125 HydrophobicContact CD1-CG1 4.09Å; L121-I125 HydrophobicContact CG-CD1 3.84Å; L121-I125 HydrophobicContact CG-CG1 4.46Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.19Å; L121-I125 PolarHBondContact O-N 3.32Å
122K79.4Confident79.8Confident109 Ų10966 Ų6647%0.47435%0.347SS..Hα-helixtrans-60.9-43.2177.1-174.9178.4-178.5179.20111.4I81 N118 H126I81-K122 HydrophobicContact CD1-CB 4.26Å; N118-K122 WeakPolarHBondContact O-CB 3.44Å; N118-K122 PolarHBondContact O-N 3.17Å; K122-H126 WeakPolarHBondContact O-CB 3.36Å; K122-H126 PolarHBondContact O-N 3.39Å
123H81.9Confident80.4Confident133 Ų13361 Ų6162%0.61632%0.315SS*.Hα-helixtrans-62.6-46.1177.8-167.374.4000111.6V119 A120 L121 H126 E127V119-H123 WeakPolarHBondContact O-CB 3.39Å; V119-H123 PolarHBondContact O-N 3.45Å; A120-H123 PolarHBondContact O-N 2.88Å; L121-H123 VanDerWaalsContact C-N 3.33Å; L121-H123 PolarHBondContact O-N 2.88Å; H123-H126 PolarHBondContact O-N 3.03Å; H123-E127 WeakPolarHBondContact O-CB 3.19Å; H123-E127 PolarHBondContact O-N 2.89Å
124W81.9Confident81Confident32 Ų3258.8 Ų58.812%0.12130%0.3CS..Hα-helixtrans-62.8-46.3178.3-176.588.2000112.3V98 F100 I109 Y111 A120 L121 H126 E127 K128V98-W124 HydrophobicContact CG1-CZ3 4.13Å; F100-W124 HydrophobicContact CB-CH2 3.47Å; F100-W124 VanDerWaalsContact CB-CH2 3.47Å; F100-W124 HydrophobicContact CB-CZ2 4.17Å; F100-W124 HydrophobicContact CB-CZ3 4.1Å; I109-W124 HydrophobicContact CB-CZ2 4.33Å; I109-W124 HydrophobicContact CG2-CZ2 3.95Å; Y111-W124 HydrophobicContact CD2-CB 3.98Å; Y111-W124 AromaticContact CD2-CD2 3.48Å; Y111-W124 HydrophobicContact CD2-CD2 3.48Å; Y111-W124 VanDerWaalsContact CD2-CD2 3.48Å; Y111-W124 AromaticContact CD2-CE2 3.92Å; Y111-W124 AromaticContact CD2-CE3 3.74Å; Y111-W124 HydrophobicContact CD2-CE3 3.74Å; Y111-W124 AromaticContact CD2-CG 3.58Å; Y111-W124 HydrophobicContact CD2-CG 3.58Å; Y111-W124 HydrophobicContact CD2-CZ3 4.37Å; Y111-W124 HydrophobicContact CE2-CB 3.64Å; Y111-W124 HydrophobicContact CE2-CD2 4.12Å; Y111-W124 AromaticContact CE2-CG 3.74Å; Y111-W124 HydrophobicContact CE2-CG 3.74Å; Y111-W124 HydrophobicContact CG-CD2 4.47Å; Y111-W124 HydrophobicContact CG-CE3 4.43Å; A120-W124 WeakPolarHBondContact O-CB 3.44Å; A120-W124 PolarHBondContact O-N 2.95Å; L121-W124 PolarHBondContact O-N 3.42Å; W124-H126 VanDerWaalsContact C-N 3.34Å; W124-H126 PolarHBondContact O-N 3.24Å; W124-E127 PolarHBondContact O-N 3.06Å; W124-K128 HydrophobicContact CD2-CG 4.19Å; W124-K128 HydrophobicContact CZ2-CG 4.23Å; W124-K128 WeakPolarHBondContact O-CG 3.27Å; W124-K128 PolarHBondContact O-N 3.33Å
125I80.2Confident81.8Confident8 Ų858 Ų584%0.04129%0.293CS..Hα-helixtrans-63.8-42.7177.9-61.9173.5000110I81 L85 F91 L121 E127 K128 C129I81-I125 HydrophobicContact CB-CD1 4.1Å; I81-I125 HydrophobicContact CD1-CD1 4.35Å; I81-I125 HydrophobicContact CG2-CB 4.1Å; I81-I125 HydrophobicContact CG2-CD1 3.4Å; I81-I125 HydrophobicContact CG2-CG1 4.29Å; I81-I125 HydrophobicContact CG2-CG2 4.12Å; L85-I125 HydrophobicContact CD1-CB 4.08Å; L85-I125 HydrophobicContact CD1-CG2 3.37Å; F91-I125 HydrophobicContact CE1-CD1 4.29Å; F91-I125 HydrophobicContact CE1-CG2 3.6Å; F91-I125 HydrophobicContact CZ-CG2 3.65Å; L121-I125 HydrophobicContact CD1-CD1 3.75Å; L121-I125 HydrophobicContact CD1-CG1 4.09Å; L121-I125 HydrophobicContact CG-CD1 3.84Å; L121-I125 HydrophobicContact CG-CG1 4.46Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.19Å; L121-I125 PolarHBondContact O-N 3.32Å; I125-E127 VanDerWaalsContact C-N 3.29Å; I125-E127 PolarHBondContact O-N 3.23Å; I125-K128 PolarHBondContact O-N 3.35Å; I125-C129 HydrophobicContact CG2-CB 4.5Å; I125-C129 WeakPolarHBondContact O-CB 3.37Å; I125-C129 PolarHBondContact O-N 3.07Å; I125-C129 PolarHBondContact O-SG 2.72Å
126H79.9Confident82.7Confident97 Ų9757.4 Ų57.445%0.44929%0.29SS..Hα-helixtrans-62.4-36177.3-170.5-73000112.5K122 H123 W124 I130K122-H126 WeakPolarHBondContact O-CB 3.36Å; K122-H126 PolarHBondContact O-N 3.39Å; H123-H126 PolarHBondContact O-N 3.03Å; W124-H126 VanDerWaalsContact C-N 3.34Å; W124-H126 PolarHBondContact O-N 3.24Å; H126-I130 VanDerWaalsContact CE1-CD1 3.45Å; H126-I130 WeakPolarHBondContact CE1-CD1 3.23Å; H126-I130 WeakPolarHBondContact NE2-CD1 2.69Å; H126-I130 WeakPolarHBondContact O-CB 2.97Å; H126-I130 PolarHBondContact O-N 2.83Å
127E80.8Confident83.4Confident116 Ų11654.7 Ų54.754%0.54228%0.278SS..Hα-helixtrans-69.5-37.3176.2-162.7-160141.800112.3H123 W124 I125H123-E127 WeakPolarHBondContact O-CB 3.19Å; H123-E127 PolarHBondContact O-N 2.89Å; W124-E127 PolarHBondContact O-N 3.06Å; I125-E127 VanDerWaalsContact C-N 3.29Å; I125-E127 PolarHBondContact O-N 3.23Å
128K81Confident83.7Confident66 Ų6657.1 Ų57.129%0.28729%0.285SS..Hα-helixtrans-82.6-36.6-178.6-62.8-55.6178-161.80113.6F100 W124 I125F100-K128 HydrophobicContact CD1-CB 4.15Å; F100-K128 HydrophobicContact CD1-CD 4.46Å; F100-K128 HydrophobicContact CD1-CG 4.4Å; F100-K128 HydrophobicContact CD2-CB 3.62Å; F100-K128 HydrophobicContact CE1-CB 4.21Å; F100-K128 HydrophobicContact CE2-CB 3.69Å; F100-K128 WeakPolarHBondContact CE2-O 3.46Å; F100-K128 HydrophobicContact CG-CB 3.85Å; F100-K128 HydrophobicContact CG-CG 4.27Å; F100-K128 HydrophobicContact CZ-CB 3.99Å; F100-K128 VanDerWaalsContact CZ-O 3.26Å; F100-K128 WeakPolarHBondContact CZ-O 3.41Å; W124-K128 HydrophobicContact CD2-CG 4.19Å; W124-K128 HydrophobicContact CZ2-CG 4.23Å; W124-K128 WeakPolarHBondContact O-CG 3.27Å; W124-K128 PolarHBondContact O-N 3.33Å; I125-K128 PolarHBondContact O-N 3.35Å
129C80.9Confident84Confident6 Ų662.9 Ų62.94%0.04131%0.31CS..Hα-helixtrans-84.3-25.3-175.6-710000114.1E88 C89 I125 P131E88-C129 HydrophobicContact CB-CB 4.32Å; C89-C129 HydrophobicContact CB-CB 3.84Å; C89-C129 WeakPolarHBondContact CB-SG 3.39Å; C89-C129 WeakPolarHBondContact SG-CA 3.47Å; C89-C129 WeakPolarHBondContact SG-CB 3.09Å; C89-C129 CovalentContact SG-SG 2.03Å; C89-C129 PolarHBondContact SG-SG 3.33Å; I125-C129 HydrophobicContact CG2-CB 4.5Å; I125-C129 WeakPolarHBondContact O-CB 3.37Å; I125-C129 PolarHBondContact O-N 3.07Å; I125-C129 PolarHBondContact O-SG 2.72Å; C129-P131 WeakPolarHBondContact O-CD 3.49Å
130I81.3Confident84.2Confident37 Ų3759.4 Ų59.419%0.1929%0.288CS..SBendtrans-101.899.9179.6-52.6-170.9000108.9L85 H126L85-I130 HydrophobicContact CD2-CD1 4.45Å; H126-I130 VanDerWaalsContact CE1-CD1 3.45Å; H126-I130 WeakPolarHBondContact CE1-CD1 3.23Å; H126-I130 WeakPolarHBondContact NE2-CD1 2.69Å; H126-I130 WeakPolarHBondContact O-CB 2.97Å; H126-I130 PolarHBondContact O-N 2.83Å
131P84.9Confident84.3Confident68 Ų6858.1 Ų58.144%0.44228%0.277SS..  trans-65.8155.2-178.528.5-35.4000111.2C129 V133 R134C129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-V133 WeakPolarHBondContact CB-O 3.44Å; P131-V133 WeakPolarHBondContact CG-O 3.38Å; P131-V133 PolarHBondContact O-N 3.1Å; P131-R134 HydrophobicContact CG-CG 4.3Å
132L88.6Confident84.6Confident39 Ų3959 Ų5920%0.20428%0.281CS..SBendtrans-59.7-39.4175.5177.562.7000111.8V171 K179 F184L132-V171 HydrophobicContact CD2-CG1 3.84Å; L132-V171 HydrophobicContact CG-CG1 4.15Å; L132-K179 HydrophobicContact CD1-CB 3.97Å; L132-K179 HydrophobicContact CD1-CD 3.62Å; L132-K179 HydrophobicContact CD1-CG 3.65Å; L132-F184 HydrophobicContact CD1-CD2 3.88Å; L132-F184 HydrophobicContact CD1-CE2 4.11Å; L132-F184 HydrophobicContact CG-CD2 4.07Å
133V92.8Very high84.8Confident10 Ų1057.7 Ų57.76%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-108.1120.1175.7-1680000108.1P131 Y167 A168 V171 F184 Y186P131-V133 WeakPolarHBondContact CB-O 3.44Å; P131-V133 WeakPolarHBondContact CG-O 3.38Å; P131-V133 PolarHBondContact O-N 3.1Å; V133-Y167 HydrophobicContact CG1-CD1 3.93Å; V133-Y167 HydrophobicContact CG1-CE1 3.52Å; V133-Y167 HydrophobicContact CG2-CE1 4.5Å; V133-A168 HydrophobicContact CB-CB 4.46Å; V133-A168 HydrophobicContact CG2-CB 4.17Å; V133-V171 HydrophobicContact CG2-CB 3.95Å; V133-V171 HydrophobicContact CG2-CG1 3.96Å; V133-V171 HydrophobicContact CG2-CG2 4.14Å; V133-F184 WeakPolarHBondContact CA-O 3.47Å; V133-F184 HydrophobicContact CB-CB 4.38Å; V133-F184 HydrophobicContact CG1-CB 4.21Å; V133-F184 HydrophobicContact CG2-CB 3.97Å; V133-Y186 HydrophobicContact CG1-CD1 3.81Å
134R91.9Very high85.1Confident46 Ų4651.6 Ų51.617%0.17425%0.249CC..EExtended strand (participates in β ladder)trans-106.2151.6-175.2-63.5178.9-79.7173.5-4.3111.4P131 E147 N183 F184 L185 Y186P131-R134 HydrophobicContact CG-CG 4.3Å; R134-E147 IonicContact CZ-OE1 3.24Å; R134-E147 VanDerWaalsContact CZ-OE1 3.31Å; R134-E147 IonicContact NH1-OE1 3.69Å; R134-E147 PolarHBondContact NH1-OE1 2.71Å; R134-E147 VanDerWaalsContact NH2-CD 3.31Å; R134-E147 IonicContact NH2-OE1 3.78Å; R134-E147 PolarHBondContact NH2-OE1 2.79Å; R134-E147 IonicContact NH2-OE2 2.79Å; R134-E147 PolarHBondContact NH2-OE2 3.3Å; R134-N183 PolarHBondContact NH2-OD1 3.29Å; R134-F184 PolarHBondContact N-O 2.76Å; R134-L185 HydrophobicContact CB-CD2 3.87Å; R134-L185 CarbonylContact O-C 3.47Å; R134-L185 WeakPolarHBondContact O-CA 3.31Å; R134-Y186 PolarHBondContact O-N 3.38Å
135E91.8Very high85.3Confident67 Ų6750.2 Ų50.231%0.31324%0.244SC..EExtended strand (participates in β ladder)trans-75.3131.8168.5-163.9163.3158.100109.7T137 N140 Y186E135-T137 HydrophobicContact CG-CG2 4.16Å; E135-N140 PolarHBondContact O-ND2 2.94Å; E135-Y186 WeakPolarHBondContact CA-O 3.44Å; E135-Y186 HydrophobicContact CB-CD2 4.34Å; E135-Y186 HydrophobicContact CB-CE1 4.19Å; E135-Y186 HydrophobicContact CB-CE2 3.61Å; E135-Y186 WeakPolarHBondContact CB-OH 3.43Å; E135-Y186 HydrophobicContact CG-CD2 4.06Å; E135-Y186 HydrophobicContact CG-CE2 3.48Å; E135-Y186 VanDerWaalsContact CG-CE2 3.48Å; E135-Y186 WeakPolarHBondContact OE2-CE2 3.48Å; E135-Y186 PolarHBondContact OE2-OH 3.46Å
136I91.2Very high85.5Confident1 Ų153.1 Ų53.11%0.00526%0.257CS..  trans-95.1129.6167.2-175.7162.3000109.7A141 L144 F151 I153 L185 Y186 A187 F192 F280I136-A141 HydrophobicContact CD1-CB 3.96Å; I136-A141 HydrophobicContact CG1-CB 3.99Å; I136-L144 HydrophobicContact CB-CD1 4.05Å; I136-L144 HydrophobicContact CD1-CD1 4.15Å; I136-L144 HydrophobicContact CG1-CD1 3.96Å; I136-F151 HydrophobicContact CD1-CD2 4.21Å; I136-F151 HydrophobicContact CD1-CE2 3.77Å; I136-I153 HydrophobicContact CG2-CG2 4.27Å; I136-L185 HydrophobicContact CB-CB 4.44Å; I136-L185 HydrophobicContact CB-CD1 4.19Å; I136-L185 HydrophobicContact CD1-CD1 3.97Å; I136-L185 HydrophobicContact CG2-CB 4.26Å; I136-Y186 PolarHBondContact N-O 2.88Å; I136-A187 HydrophobicContact CG2-CB 3.53Å; I136-F192 HydrophobicContact CG1-CZ 4.21Å; I136-F192 HydrophobicContact CG2-CZ 4.42Å; I136-F192 WeakPolarHBondContact O-CE2 3.47Å; I136-F192 WeakPolarHBondContact O-CZ 3.24Å; I136-F280 HydrophobicContact CD1-CD1 3.83Å; I136-F280 HydrophobicContact CD1-CE1 3.74Å
137T88.2Confident85.9Confident43 Ų4352 Ų5226%0.26425%0.252SS..  trans-130.7166176.469.60000108.4E135 Q139 N140 A141E135-T137 HydrophobicContact CG-CG2 4.16Å; T137-Q139 PolarHBondContact O-N 3.43Å; T137-Q139 VanDerWaalsContact O-N 3.15Å; T137-Q139 PolarHBondContact OG1-N 3.47Å; T137-N140 PolarHBondContact N-OD1 3.2Å; T137-N140 PolarHBondContact O-N 3.05Å; T137-N140 PolarHBondContact O-OD1 3.17Å; T137-N140 PolarHBondContact OG1-N 3.46Å; T137-N140 PolarHBondContact OG1-OD1 3.48Å; T137-A141 WeakPolarHBondContact O-CB 3.38Å; T137-A141 PolarHBondContact O-N 2.9Å
138F83.1Confident86.1Confident123 Ų12349 Ų4954%0.53925%0.253SS..THydrogen-bonded Turntrans-63.1-21175.9-66.7-66.7000113.8T191 F192F138-T191 HydrophobicContact CD2-CG2 3.99Å; F138-T191 HydrophobicContact CE2-CG2 3.45Å; F138-T191 VanDerWaalsContact CE2-CG2 3.45Å; F138-T191 HydrophobicContact CZ-CG2 4.35Å; F138-T191 WeakPolarHBondContact CZ-O 3.47Å; F138-F192 HydrophobicContact CD1-CE1 4.2Å; F138-F192 HydrophobicContact CE1-CD1 4.17Å; F138-F192 AromaticContact CE1-CE1 3.83Å; F138-F192 HydrophobicContact CE1-CE1 3.83Å; F138-F192 HydrophobicContact CE1-CZ 4.46Å; F138-F192 HydrophobicContact CZ-CD1 4.16Å; F138-F192 HydrophobicContact CZ-CE1 4.1Å
139Q82Confident86.6Confident176 Ų17650.1 Ų50.182%0.82226%0.255SS*.THydrogen-bonded Turntrans-78.9-40.2-178.4-64.7177.13.300111.8T137T137-Q139 PolarHBondContact O-N 3.43Å; T137-Q139 VanDerWaalsContact O-N 3.15Å; T137-Q139 PolarHBondContact OG1-N 3.47Å
140N84.9Confident87.2Confident42 Ų4251.3 Ų51.323%0.22526%0.263CS..THydrogen-bonded Turntrans-98.7-11.1-178.570.61000113.6E135 T137 E142 E143 L144E135-N140 PolarHBondContact O-ND2 2.94Å; T137-N140 PolarHBondContact N-OD1 3.2Å; T137-N140 PolarHBondContact O-N 3.05Å; T137-N140 PolarHBondContact O-OD1 3.17Å; T137-N140 PolarHBondContact OG1-N 3.46Å; T137-N140 PolarHBondContact OG1-OD1 3.48Å; N140-E142 VanDerWaalsContact C-N 3.3Å; N140-E142 PolarHBondContact O-N 3.45Å; N140-E143 WeakPolarHBondContact O-CB 3.41Å; N140-E143 PolarHBondContact O-N 3.41Å; N140-L144 WeakPolarHBondContact O-CG 3.4Å; N140-L144 PolarHBondContact O-N 3.14Å
141A85.5Confident87.8Confident1 Ų149.6 Ų49.61%0.00825%0.254CS..Hα-helixtrans-56.2-43.1-177.100000112.7I136 T137 E143 L144 T145 L283I136-A141 HydrophobicContact CD1-CB 3.96Å; I136-A141 HydrophobicContact CG1-CB 3.99Å; T137-A141 WeakPolarHBondContact O-CB 3.38Å; T137-A141 PolarHBondContact O-N 2.9Å; A141-E143 PolarHBondContact O-N 3.34Å; A141-L144 PolarHBondContact O-N 2.87Å; A141-T145 VanDerWaalsContact O-CG2 3.26Å; A141-T145 WeakPolarHBondContact O-CG2 3.45Å; A141-T145 PolarHBondContact O-N 3.08Å; A141-T145 PolarHBondContact O-OG1 2.73Å; A141-L283 HydrophobicContact CB-CB 4.21Å; A141-L283 HydrophobicContact CB-CD1 3.66Å; A141-L283 HydrophobicContact CB-CG 4.46Å
142E84.1Confident88.3Confident18 Ų1846.3 Ų46.38%0.08423%0.233CC..Hα-helixtrans-62.5-44.6-179.8-164.8175.9140.200111.2R47 N140 T145 E146 L283 P285 Y290R47-E142 IonicContact CZ-OE1 2.92Å; R47-E142 IonicContact NH1-OE1 3.31Å; R47-E142 PolarHBondContact NH1-OE1 2.99Å; N140-E142 VanDerWaalsContact C-N 3.3Å; N140-E142 PolarHBondContact O-N 3.45Å; E142-T145 PolarHBondContact O-N 2.93Å; E142-T145 PolarHBondContact O-OG1 2.92Å; E142-E146 PolarHBondContact O-N 2.9Å; E142-E146 VanDerWaalsContact O-N 3.16Å; E142-L283 WeakPolarHBondContact CA-O 3.3Å; E142-L283 WeakPolarHBondContact CG-O 3.4Å; E142-P285 HydrophobicContact CG-CG 4.07Å; E142-Y290 WeakPolarHBondContact OE1-CE2 3.36Å
143E84.3Confident88.6Confident83 Ų8344.5 Ų44.539%0.38822%0.223SC..Hα-helixtrans-60.5-46.9174.8-177.6-179.5175.700111.8N140 A141 T145 E146N140-E143 WeakPolarHBondContact O-CB 3.41Å; N140-E143 PolarHBondContact O-N 3.41Å; A141-E143 PolarHBondContact O-N 3.34Å; E143-T145 VanDerWaalsContact C-N 3.26Å; E143-T145 PolarHBondContact O-N 2.64Å; E143-E146 PolarHBondContact O-N 2.77Å; E143-E146 VanDerWaalsContact O-N 3.16Å
144L87.7Confident88.7Confident4 Ų444 Ų442%0.02122%0.22CC..Hα-helixtrans-61.1-35.8177.7-69.4171.8000112I136 N140 A141 E146 E147 F151 L185I136-L144 HydrophobicContact CB-CD1 4.05Å; I136-L144 HydrophobicContact CD1-CD1 4.15Å; I136-L144 HydrophobicContact CG1-CD1 3.96Å; N140-L144 WeakPolarHBondContact O-CG 3.4Å; N140-L144 PolarHBondContact O-N 3.14Å; A141-L144 PolarHBondContact O-N 2.87Å; L144-E146 VanDerWaalsContact C-N 3.35Å; L144-E147 WeakPolarHBondContact O-CB 3.37Å; L144-F151 HydrophobicContact CB-CE1 4.17Å; L144-F151 HydrophobicContact CB-CZ 3.71Å; L144-F151 WeakPolarHBondContact O-CE1 3.34Å; L144-L185 HydrophobicContact CD1-CD1 4.2Å; L144-L185 HydrophobicContact CD1-CD2 3.88Å; L144-L185 HydrophobicContact CD2-CD2 4.27Å
145T86.4Confident88.8Confident3 Ų341.9 Ų41.92%0.01821%0.212CC..Hα-helixtrans-73.8-26179.460.20000113.1A141 E142 E143 E147 G148 F151 F214 L283 K284A141-T145 VanDerWaalsContact O-CG2 3.26Å; A141-T145 WeakPolarHBondContact O-CG2 3.45Å; A141-T145 PolarHBondContact O-N 3.08Å; A141-T145 PolarHBondContact O-OG1 2.73Å; E142-T145 PolarHBondContact O-N 2.93Å; E142-T145 PolarHBondContact O-OG1 2.92Å; E143-T145 VanDerWaalsContact C-N 3.26Å; E143-T145 PolarHBondContact O-N 2.64Å; T145-E147 VanDerWaalsContact C-N 3.27Å; T145-E147 PolarHBondContact O-N 2.85Å; T145-G148 PolarHBondContact O-N 3.47Å; T145-G148 VanDerWaalsContact O-N 3.14Å; T145-F151 HydrophobicContact CG2-CE2 3.65Å; T145-F151 HydrophobicContact CG2-CZ 3.51Å; T145-F214 HydrophobicContact CG2-CE1 3.7Å; T145-F214 HydrophobicContact CG2-CZ 3.93Å; T145-L283 HydrophobicContact CG2-CB 4.42Å; T145-K284 HydrophobicContact CG2-CG 4.35Å; T145-K284 WeakPolarHBondContact OG1-CA 3.29Å
146E84.7Confident88.9Confident69 Ų6939.3 Ų39.332%0.32220%0.199SC..Hα-helixtrans-71.9-20.6176.5-78.5-171.3178.900113.9R47 E142 E143 L144 G148 P285 R294R47-E146 IonicContact CZ-OE1 2.82Å; R47-E146 IonicContact CZ-OE2 2.79Å; R47-E146 IonicContact NH1-OE1 3.52Å; R47-E146 PolarHBondContact NH1-OE1 3.02Å; R47-E146 IonicContact NH1-OE2 3.99Å; R47-E146 IonicContact NH2-OE1 3.31Å; R47-E146 PolarHBondContact NH2-OE1 2.73Å; R47-E146 IonicContact NH2-OE2 3.66Å; R47-E146 PolarHBondContact NH2-OE2 2.89Å; E142-E146 PolarHBondContact O-N 2.9Å; E142-E146 VanDerWaalsContact O-N 3.16Å; E143-E146 PolarHBondContact O-N 2.77Å; E143-E146 VanDerWaalsContact O-N 3.16Å; L144-E146 VanDerWaalsContact C-N 3.35Å; E146-G148 PolarHBondContact O-N 3.18Å; E146-P285 HydrophobicContact CG-CG 3.51Å; E146-P285 WeakPolarHBondContact OE1-CG 3.15Å; E146-R294 PolarHBondContact O-NH1 3.41Å; E146-R294 VanDerWaalsContact O-NH1 3.1Å
147E87Confident89Confident75 Ų7540.9 Ų40.935%0.3521%0.21SC..THydrogen-bonded Turntrans-61.2-19169.6-61-175.2-165.900111.9R134 L144 T145 R149 N183R134-E147 IonicContact CZ-OE1 3.24Å; R134-E147 VanDerWaalsContact CZ-OE1 3.31Å; R134-E147 IonicContact NH1-OE1 3.69Å; R134-E147 PolarHBondContact NH1-OE1 2.71Å; R134-E147 VanDerWaalsContact NH2-CD 3.31Å; R134-E147 IonicContact NH2-OE1 3.78Å; R134-E147 PolarHBondContact NH2-OE1 2.79Å; R134-E147 IonicContact NH2-OE2 2.79Å; R134-E147 PolarHBondContact NH2-OE2 3.3Å; L144-E147 WeakPolarHBondContact O-CB 3.37Å; T145-E147 VanDerWaalsContact C-N 3.27Å; T145-E147 PolarHBondContact O-N 2.85Å; E147-R149 VanDerWaalsContact C-N 3.28Å; E147-R149 PolarHBondContact O-N 2.7Å; E147-N183 VanDerWaalsContact OE2-CG 3.32Å; E147-N183 PolarHBondContact OE2-ND2 3.47Å; E147-N183 PolarHBondContact OE2-OD1 3.16Å; E147-N183 VanDerWaalsContact OE2-OD1 3.08Å
148G85.5Confident89Confident53 Ų5345.1 Ų45.155%0.54623%0.225SC..  trans7415.1171.600000114.5T145 E146T145-G148 PolarHBondContact O-N 3.47Å; T145-G148 VanDerWaalsContact O-N 3.14Å; E146-G148 PolarHBondContact O-N 3.18Å
149R91.4Very high89.2Confident89 Ų8946.8 Ų46.834%0.33624%0.24SC..  trans-105.1140.5-177.5-66.6170.6-172.1-155.1-7.4111.1E147 F151 K179 S180 F214E147-R149 VanDerWaalsContact C-N 3.28Å; E147-R149 PolarHBondContact O-N 2.7Å; R149-F151 VanDerWaalsContact O-CD1 3.31Å; R149-F151 WeakPolarHBondContact O-CD1 3.47Å; R149-K179 PolarHBondContact NH1-O 3.23Å; R149-K179 VanDerWaalsContact NH1-O 3.14Å; R149-S180 PolarHBondContact NE-O 3.39Å; R149-S180 PolarHBondContact NH1-O 3.26Å; R149-S180 PolarHBondContact NH2-O 3.49Å; R149-S180 VanDerWaalsContact NH2-O 3.16Å; R149-F214 WeakPolarHBondContact O-CE2 3.43Å
150P93.8Very high89.5Confident31 Ų3141.9 Ų41.920%0.20122%0.219CC..  trans-57.6148.5174.227-35.9000110.4S181 V182 N183 D212 L239P150-S181 WeakPolarHBondContact CD-O 3.18Å; P150-V182 HydrophobicContact CG-CG2 4.17Å; P150-V182 WeakPolarHBondContact O-CG1 3.31Å; P150-N183 PolarHBondContact O-N 3.24Å; P150-D212 CarbonylContact C-O 3.45Å; P150-D212 VanDerWaalsContact CA-O 3.28Å; P150-D212 WeakPolarHBondContact CA-O 3.49Å; P150-D212 WeakPolarHBondContact CB-O 3.34Å; P150-L239 HydrophobicContact CB-CD2 3.86Å; P150-L239 HydrophobicContact CG-CD2 3.97Å
151F94.9Very high89.6Confident0 Ų047.3 Ų47.30%024%0.237CC..EExtended strand (participates in β ladder)trans-96.9133.3-179.6-64.9-12.3000109.9I136 L144 T145 R149 I153 N183 L185 I211 D212 F214 F280I136-F151 HydrophobicContact CD1-CD2 4.21Å; I136-F151 HydrophobicContact CD1-CE2 3.77Å; L144-F151 HydrophobicContact CB-CE1 4.17Å; L144-F151 HydrophobicContact CB-CZ 3.71Å; L144-F151 WeakPolarHBondContact O-CE1 3.34Å; T145-F151 HydrophobicContact CG2-CE2 3.65Å; T145-F151 HydrophobicContact CG2-CZ 3.51Å; R149-F151 VanDerWaalsContact O-CD1 3.31Å; R149-F151 WeakPolarHBondContact O-CD1 3.47Å; F151-I153 HydrophobicContact CB-CD1 3.8Å; F151-I153 HydrophobicContact CB-CG1 3.57Å; F151-I153 HydrophobicContact CD2-CD1 3.96Å; F151-I153 HydrophobicContact CG-CD1 4.37Å; F151-I153 HydrophobicContact CG-CG1 4.48Å; F151-N183 HydrophobicContact CD1-CB 3.83Å; F151-N183 HydrophobicContact CE1-CB 4.19Å; F151-L185 HydrophobicContact CB-CD1 4Å; F151-L185 HydrophobicContact CD1-CD1 3.75Å; F151-L185 HydrophobicContact CD2-CD1 3.77Å; F151-L185 HydrophobicContact CE1-CD1 4.04Å; F151-L185 HydrophobicContact CE2-CD1 4.06Å; F151-L185 HydrophobicContact CG-CD1 3.59Å; F151-L185 HydrophobicContact CZ-CD1 4.17Å; F151-I211 CarbonylContact O-C 3.43Å; F151-I211 WeakPolarHBondContact O-CA 3.36Å; F151-D212 HydrophobicContact CB-CB 4.35Å; F151-D212 PolarHBondContact N-O 2.91Å; F151-D212 PolarHBondContact O-N 2.93Å; F151-F214 AromaticContact CD1-CZ 3.98Å; F151-F214 HydrophobicContact CD1-CZ 3.98Å; F151-F214 HydrophobicContact CD2-CE1 4.19Å; F151-F214 HydrophobicContact CD2-CZ 4.31Å; F151-F214 HydrophobicContact CE1-CE1 4.43Å; F151-F214 AromaticContact CE1-CZ 3.67Å; F151-F214 HydrophobicContact CE1-CZ 3.67Å; F151-F214 AromaticContact CE2-CE1 3.97Å; F151-F214 HydrophobicContact CE2-CE1 3.97Å; F151-F214 HydrophobicContact CE2-CZ 4.02Å; F151-F214 HydrophobicContact CG-CZ 4.32Å; F151-F214 HydrophobicContact CZ-CE1 4.11Å; F151-F214 AromaticContact CZ-CZ 3.71Å; F151-F214 HydrophobicContact CZ-CZ 3.71Å; F151-F280 HydrophobicContact CD2-CB 4.19Å; F151-F280 HydrophobicContact CD2-CD1 4.19Å; F151-F280 HydrophobicContact CD2-CG 4.25Å; F151-F280 HydrophobicContact CE2-CB 4.28Å; F151-F280 HydrophobicContact CE2-CD1 4.24Å
152L94.8Very high89.7Confident0 Ų049.3 Ų49.30%026%0.258CS..EExtended strand (participates in β ladder)trans-105.1103.4161.5-179.668.9000107.4Y167 L175 V182 N183 F184 L185 L209 I211 L232 F235 I236L152-Y167 HydrophobicContact CD2-CE2 4.29Å; L152-Y167 WeakPolarHBondContact CD2-OH 3.37Å; L152-Y167 VanDerWaalsContact CG-OH 3.31Å; L152-Y167 WeakPolarHBondContact CG-OH 3.43Å; L152-Y167 PolarHBondContact O-OH 3.3Å; L152-Y167 VanDerWaalsContact O-OH 3.12Å; L152-L175 HydrophobicContact CD2-CD1 4.29Å; L152-V182 HydrophobicContact CB-CG1 3.91Å; L152-N183 PolarHBondContact N-O 3.3Å; L152-F184 HydrophobicContact CB-CD1 4.16Å; L152-F184 HydrophobicContact CD2-CD1 3.86Å; L152-F184 HydrophobicContact CD2-CE1 4.16Å; L152-L185 PolarHBondContact O-N 2.93Å; L152-L185 VanDerWaalsContact O-O 3.11Å; L152-L209 HydrophobicContact CD1-CD1 3.89Å; L152-L209 HydrophobicContact CD1-CD2 4.17Å; L152-L209 HydrophobicContact CD1-CG 3.98Å; L152-L209 HydrophobicContact CG-CD1 4.01Å; L152-I211 HydrophobicContact CD1-CD1 4.11Å; L152-I211 HydrophobicContact CD1-CG1 3.41Å; L152-I211 VanDerWaalsContact CD1-CG1 3.41Å; L152-L232 HydrophobicContact CD2-CD1 4.15Å; L152-F235 HydrophobicContact CD1-CD1 4.31Å; L152-F235 HydrophobicContact CD1-CE1 4.35Å; L152-I236 HydrophobicContact CD2-CD1 4.16Å
153I94.7Very high90Very high1 Ų149.6 Ų49.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-110.3121.4-169.4-45.3177.7000109.9I136 F151 F155 L185 A187 A210 F280I136-I153 HydrophobicContact CG2-CG2 4.27Å; F151-I153 HydrophobicContact CB-CD1 3.8Å; F151-I153 HydrophobicContact CB-CG1 3.57Å; F151-I153 HydrophobicContact CD2-CD1 3.96Å; F151-I153 HydrophobicContact CG-CD1 4.37Å; F151-I153 HydrophobicContact CG-CG1 4.48Å; I153-F155 HydrophobicContact CB-CE2 4Å; I153-F155 HydrophobicContact CB-CZ 4.19Å; I153-F155 HydrophobicContact CD1-CZ 4.35Å; I153-F155 HydrophobicContact CG2-CD1 4.46Å; I153-F155 HydrophobicContact CG2-CD2 4.28Å; I153-F155 HydrophobicContact CG2-CE1 4.05Å; I153-F155 HydrophobicContact CG2-CE2 3.87Å; I153-F155 HydrophobicContact CG2-CZ 3.73Å; I153-L185 WeakPolarHBondContact CA-O 3.47Å; I153-L185 HydrophobicContact CG1-CB 4.31Å; I153-L185 HydrophobicContact CG1-CD1 4.48Å; I153-A187 HydrophobicContact CG2-CB 3.81Å; I153-A210 PolarHBondContact N-O 3.44Å; I153-A210 PolarHBondContact O-N 3.27Å; I153-F280 HydrophobicContact CD1-CD1 4.11Å; I153-F280 HydrophobicContact CD1-CD2 3.84Å; I153-F280 HydrophobicContact CD1-CE1 3.8Å; I153-F280 HydrophobicContact CD1-CE2 3.48Å; I153-F280 VanDerWaalsContact CD1-CE2 3.48Å; I153-F280 HydrophobicContact CD1-CG 4.16Å; I153-F280 HydrophobicContact CD1-CZ 3.46Å; I153-F280 VanDerWaalsContact CD1-CZ 3.46Å
154L95.1Very high90.4Very high0 Ų046.4 Ų46.40%025%0.246CC..EExtended strand (participates in β ladder)trans-89.9114.8165.7174.270.2000109.6I163 V164 Y167 L185 Y186 A187 L208 L209 I223L154-I163 HydrophobicContact CD2-CG2 4.23Å; L154-V164 HydrophobicContact CD2-CG2 4.27Å; L154-Y167 HydrophobicContact CB-CD1 3.85Å; L154-Y167 HydrophobicContact CB-CE1 3.84Å; L154-Y167 HydrophobicContact CB-CG 4.29Å; L154-Y167 HydrophobicContact CD2-CD1 3.64Å; L154-Y167 HydrophobicContact CD2-CE1 4.47Å; L154-Y167 HydrophobicContact CD2-CG 3.69Å; L154-Y167 HydrophobicContact CG-CD1 4.39Å; L154-L185 PolarHBondContact N-O 3.42Å; L154-Y186 CarbonylContact O-C 3.53Å; L154-Y186 WeakPolarHBondContact O-CA 3.26Å; L154-A187 PolarHBondContact O-N 3.06Å; L154-L208 CarbonylContact C-O 3.53Å; L154-L209 HydrophobicContact CB-CD1 4.12Å; L154-I223 HydrophobicContact CD1-CD1 4.02Å
155F94.2Very high90.5Very high0 Ų052.5 Ų52.50%027%0.272CS..EExtended strand (participates in β ladder)trans-88.2122.5168.9-61.1-85.5000109.5I153 A187 F192 L196 L206 P207 L208 A210 F280I153-F155 HydrophobicContact CB-CE2 4Å; I153-F155 HydrophobicContact CB-CZ 4.19Å; I153-F155 HydrophobicContact CD1-CZ 4.35Å; I153-F155 HydrophobicContact CG2-CD1 4.46Å; I153-F155 HydrophobicContact CG2-CD2 4.28Å; I153-F155 HydrophobicContact CG2-CE1 4.05Å; I153-F155 HydrophobicContact CG2-CE2 3.87Å; I153-F155 HydrophobicContact CG2-CZ 3.73Å; F155-A187 WeakPolarHBondContact CA-O 3.4Å; F155-A187 HydrophobicContact CD1-CB 3.78Å; F155-A187 HydrophobicContact CE1-CB 3.86Å; F155-F192 HydrophobicContact CD1-CB 4.27Å; F155-F192 HydrophobicContact CE1-CB 3.83Å; F155-F192 HydrophobicContact CE1-CG 4.49Å; F155-L196 HydrophobicContact CB-CD2 4.12Å; F155-L196 HydrophobicContact CD1-CD1 4.48Å; F155-L196 HydrophobicContact CD1-CD2 4.04Å; F155-L196 HydrophobicContact CD1-CG 4.23Å; F155-L196 HydrophobicContact CD2-CD2 3.82Å; F155-L196 HydrophobicContact CE1-CD2 4.43Å; F155-L196 HydrophobicContact CE2-CD2 4.22Å; F155-L196 HydrophobicContact CG-CD2 3.71Å; F155-L196 HydrophobicContact CG-CG 4.37Å; F155-L206 HydrophobicContact CB-CD2 3.49Å; F155-L206 VanDerWaalsContact CB-CD2 3.49Å; F155-P207 VanDerWaalsContact O-CA 3.27Å; F155-P207 WeakPolarHBondContact O-CA 3.42Å; F155-L208 HydrophobicContact CB-CB 4.4Å; F155-L208 PolarHBondContact N-O 3.01Å; F155-L208 PolarHBondContact O-N 2.85Å; F155-A210 HydrophobicContact CE2-CB 4.28Å; F155-F280 HydrophobicContact CE1-CZ 4.14Å; F155-F280 AromaticContact CZ-CE2 3.91Å; F155-F280 HydrophobicContact CZ-CE2 3.91Å; F155-F280 AromaticContact CZ-CZ 3.84Å; F155-F280 HydrophobicContact CZ-CZ 3.84Å
156Y93.9Very high90.7Very high13 Ų1355.5 Ų55.55%0.05129%0.29CS..EExtended strand (participates in β ladder)trans-116.8154.317972.6-79.9000111.2R161 V164 Y186 A187 D188 G189Y156-R161 HydrophobicContact CE2-CG 4.3Å; Y156-V164 HydrophobicContact CD1-CG2 3.82Å; Y156-V164 HydrophobicContact CD2-CG2 4.32Å; Y156-V164 HydrophobicContact CE1-CG2 4.32Å; Y156-V164 HydrophobicContact CG-CG2 3.84Å; Y156-Y186 HydrophobicContact CD1-CD2 4.17Å; Y156-Y186 AromaticContact CE1-CD2 3.67Å; Y156-Y186 HydrophobicContact CE1-CD2 3.67Å; Y156-Y186 HydrophobicContact CE1-CE2 4.28Å; Y156-A187 WeakPolarHBondContact CD1-O 3.34Å; Y156-A187 WeakPolarHBondContact CE1-O 3.47Å; Y156-A187 PolarHBondContact N-O 2.95Å; Y156-D188 HydrophobicContact CE1-CB 4.4Å; Y156-G189 PolarHBondContact O-N 3.36Å
157S92.9Very high91.2Very high34 Ų3452.2 Ų52.224%0.23828%0.275CS..  trans-87.6147.5167.7171.40000109.8D159 N160S157-D159 PolarHBondContact O-N 2.83Å; S157-D159 PolarHBondContact OG-N 2.92Å; S157-N160 CarbonylContact O-C 3.57Å; S157-N160 PolarHBondContact O-N 2.97Å
158K88.2Confident91.4Very high133 Ų13350.2 Ų50.258%0.57827%0.271SS*.G310 helixtrans-52.5-31.3177.5-67.7-175.8179175.60113N160 D188K158-N160 VanDerWaalsContact C-N 3.31Å; K158-N160 PolarHBondContact O-N 2.94Å; K158-D188 WeakPolarHBondContact CE-OD2 3.5Å; K158-D188 IonicContact NZ-OD2 3.03Å
159D87.7Confident91.7Very high158 Ų15852.3 Ų52.385%0.84527%0.27SS*.G310 helixtrans-73-22.9179.4-55.1-40000113.1S157S157-D159 PolarHBondContact O-N 2.83Å; S157-D159 PolarHBondContact OG-N 2.92Å
160N86.7Confident91.7Very high73 Ų7349.2 Ų49.239%0.3926%0.259SS..G310 helixtrans-122.553.3-174.7-164.7-0.1000112.4S157 K158 G162 I163S157-N160 CarbonylContact O-C 3.57Å; S157-N160 PolarHBondContact O-N 2.97Å; K158-N160 VanDerWaalsContact C-N 3.31Å; K158-N160 PolarHBondContact O-N 2.94Å; N160-G162 PolarHBondContact O-N 3.46Å; N160-I163 VanDerWaalsContact O-CG2 3.24Å; N160-I163 WeakPolarHBondContact O-CG2 3.21Å; N160-I163 PolarHBondContact O-N 3.38Å
161R87.2Confident91.7Very high155 Ų15547.7 Ų47.759%0.58525%0.25SC*.THydrogen-bonded Turntrans-64.7-19.2174-164.1175.2179.5148.83.4113.1Y156 I163 V164Y156-R161 HydrophobicContact CE2-CG 4.3Å; R161-I163 VanDerWaalsContact C-N 3.26Å; R161-I163 PolarHBondContact O-N 2.92Å; R161-V164 WeakPolarHBondContact O-CB 3.19Å; R161-V164 PolarHBondContact O-N 2.95Å
162G88.5Confident91.4Very high44 Ų4450.4 Ų50.445%0.45427%0.269SS..Hα-helixtrans-62.2-29179.500000114.1N160 V164 K165 T166N160-G162 PolarHBondContact O-N 3.46Å; G162-V164 PolarHBondContact O-N 3.4Å; G162-K165 PolarHBondContact O-N 3.24Å; G162-T166 PolarHBondContact O-N 3.06Å
163I90.7Very high91.2Very high24 Ų2458 Ų5812%0.12330%0.302CS..Hα-helixtrans-65.2-29.1178.5-163.6169.8000112.7L154 N160 R161 K165 T166 Y167 P207 I223L154-I163 HydrophobicContact CD2-CG2 4.23Å; N160-I163 VanDerWaalsContact O-CG2 3.24Å; N160-I163 WeakPolarHBondContact O-CG2 3.21Å; N160-I163 PolarHBondContact O-N 3.38Å; R161-I163 VanDerWaalsContact C-N 3.26Å; R161-I163 PolarHBondContact O-N 2.92Å; I163-K165 VanDerWaalsContact C-N 3.31Å; I163-K165 PolarHBondContact O-N 2.9Å; I163-T166 WeakPolarHBondContact O-CB 3.46Å; I163-T166 PolarHBondContact O-N 3.05Å; I163-T166 VanDerWaalsContact O-N 3.15Å; I163-Y167 WeakPolarHBondContact O-CB 3.17Å; I163-Y167 PolarHBondContact O-N 3.04Å; I163-P207 HydrophobicContact CD1-CB 3.71Å; I163-P207 HydrophobicContact CD1-CG 3.37Å; I163-P207 HydrophobicContact CG2-CB 4.24Å; I163-I223 HydrophobicContact CD1-CD1 4.31Å; I163-I223 HydrophobicContact CD1-CG1 3.88Å
164V92.1Very high91Very high16 Ų1659.4 Ų59.410%0.09731%0.308CS..Hα-helixtrans-61.4-40.7177.6-178.60000110.9L154 Y156 R161 G162 Y167 A168 Y186L154-V164 HydrophobicContact CD2-CG2 4.27Å; Y156-V164 HydrophobicContact CD1-CG2 3.82Å; Y156-V164 HydrophobicContact CD2-CG2 4.32Å; Y156-V164 HydrophobicContact CE1-CG2 4.32Å; Y156-V164 HydrophobicContact CG-CG2 3.84Å; R161-V164 WeakPolarHBondContact O-CB 3.19Å; R161-V164 PolarHBondContact O-N 2.95Å; G162-V164 PolarHBondContact O-N 3.4Å; V164-Y167 PolarHBondContact O-N 3.15Å; V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 3.04Å; V164-Y186 HydrophobicContact CG1-CD1 3.6Å; V164-Y186 HydrophobicContact CG1-CD2 3.94Å; V164-Y186 HydrophobicContact CG1-CE1 3.87Å; V164-Y186 HydrophobicContact CG1-CE2 4.2Å; V164-Y186 HydrophobicContact CG1-CG 3.65Å; V164-Y186 HydrophobicContact CG2-CD2 4.22Å; V164-Y186 HydrophobicContact CG2-CG 4.37Å
165K90.5Very high90.7Very high132 Ų13259.4 Ų59.457%0.57431%0.308SS*.Hα-helixtrans-64.8-41.2176-67.3-172.4175.7-170.80111.8G162 I163 A168 N169G162-K165 PolarHBondContact O-N 3.24Å; I163-K165 VanDerWaalsContact C-N 3.31Å; I163-K165 PolarHBondContact O-N 2.9Å; K165-A168 PolarHBondContact O-N 3.29Å; K165-N169 WeakPolarHBondContact O-CB 3.37Å; K165-N169 PolarHBondContact O-N 3.33Å; K165-N169 PolarHBondContact O-ND2 3.19Å
166T91.3Very high90.4Very high65 Ų6565.8 Ų65.840%0.39934%0.338SS..Hα-helixtrans-63.4-45.9177.1-54.40000110.7G162 I163 N169 E170 T227G162-T166 PolarHBondContact O-N 3.06Å; I163-T166 WeakPolarHBondContact O-CB 3.46Å; I163-T166 PolarHBondContact O-N 3.05Å; I163-T166 VanDerWaalsContact O-N 3.15Å; T166-N169 PolarHBondContact O-N 2.98Å; T166-E170 PolarHBondContact O-N 3.23Å; T166-T227 HydrophobicContact CG2-CG2 4.44Å
167Y93.5Very high90.2Very high0 Ų069.4 Ų69.40%036%0.358CS..Hα-helixtrans-61.2-48.1175.6173.6-119.6000112.4V133 L152 L154 I163 V164 N169 E170 V171 L209 L226V133-Y167 HydrophobicContact CG1-CD1 3.93Å; V133-Y167 HydrophobicContact CG1-CE1 3.52Å; V133-Y167 HydrophobicContact CG2-CE1 4.5Å; L152-Y167 HydrophobicContact CD2-CE2 4.29Å; L152-Y167 WeakPolarHBondContact CD2-OH 3.37Å; L152-Y167 VanDerWaalsContact CG-OH 3.31Å; L152-Y167 WeakPolarHBondContact CG-OH 3.43Å; L152-Y167 PolarHBondContact O-OH 3.3Å; L152-Y167 VanDerWaalsContact O-OH 3.12Å; L154-Y167 HydrophobicContact CB-CD1 3.85Å; L154-Y167 HydrophobicContact CB-CE1 3.84Å; L154-Y167 HydrophobicContact CB-CG 4.29Å; L154-Y167 HydrophobicContact CD2-CD1 3.64Å; L154-Y167 HydrophobicContact CD2-CE1 4.47Å; L154-Y167 HydrophobicContact CD2-CG 3.69Å; L154-Y167 HydrophobicContact CG-CD1 4.39Å; I163-Y167 WeakPolarHBondContact O-CB 3.17Å; I163-Y167 PolarHBondContact O-N 3.04Å; V164-Y167 PolarHBondContact O-N 3.15Å; Y167-N169 VanDerWaalsContact C-N 3.3Å; Y167-N169 PolarHBondContact O-N 3.34Å; Y167-E170 PolarHBondContact O-N 3.06Å; Y167-V171 HydrophobicContact CD1-CG2 4.46Å; Y167-V171 HydrophobicContact CD2-CG2 3.75Å; Y167-V171 HydrophobicContact CE1-CG2 4.15Å; Y167-V171 HydrophobicContact CE2-CG2 3.36Å; Y167-V171 HydrophobicContact CG-CG2 4.29Å; Y167-V171 VanDerWaalsContact O-CG2 3.29Å; Y167-V171 WeakPolarHBondContact O-CG2 3.37Å; Y167-V171 PolarHBondContact O-N 3.02Å; Y167-L209 HydrophobicContact CE2-CD1 3.86Å; Y167-L226 HydrophobicContact CD2-CD1 3.96Å; Y167-L226 HydrophobicContact CD2-CD2 4.21Å; Y167-L226 HydrophobicContact CE2-CD1 4.47Å
168A92.1Very high90Very high33 Ų3368.5 Ų68.527%0.27335%0.35SS..Hα-helixtrans-58.5-42.3178.100000112.2V133 V164 K165 E170 S172V133-A168 HydrophobicContact CB-CB 4.46Å; V133-A168 HydrophobicContact CG2-CB 4.17Å; V164-A168 WeakPolarHBondContact O-CB 3.48Å; V164-A168 PolarHBondContact O-N 3.04Å; K165-A168 PolarHBondContact O-N 3.29Å; A168-E170 VanDerWaalsContact C-N 3.33Å; A168-E170 PolarHBondContact O-N 3.24Å; A168-S172 VanDerWaalsContact O-CB 3.31Å; A168-S172 WeakPolarHBondContact O-CB 3.06Å; A168-S172 PolarHBondContact O-N 3.44Å
169N91.8Very high90Very high97 Ų9767.5 Ų67.552%0.51935%0.346SS..Hα-helixtrans-62.7-40.5175.1-72.2-21.7000111.9K165 T166 Y167 S172 K173K165-N169 WeakPolarHBondContact O-CB 3.37Å; K165-N169 PolarHBondContact O-N 3.33Å; K165-N169 PolarHBondContact O-ND2 3.19Å; T166-N169 PolarHBondContact O-N 2.98Å; Y167-N169 VanDerWaalsContact C-N 3.3Å; Y167-N169 PolarHBondContact O-N 3.34Å; N169-S172 PolarHBondContact O-N 2.99Å; N169-K173 VanDerWaalsContact O-CG 3.26Å; N169-K173 WeakPolarHBondContact O-CG 3.27Å; N169-K173 PolarHBondContact O-N 3.47Å
170E91.9Very high90Very high24 Ų2463.6 Ų63.611%0.11233%0.331CS..Hα-helixtrans-74.1-38.6-177.4-151.655.7-141.800112.9T166 Y167 A168 S172 K173 Q174 L226T166-E170 PolarHBondContact O-N 3.23Å; Y167-E170 PolarHBondContact O-N 3.06Å; A168-E170 VanDerWaalsContact C-N 3.33Å; A168-E170 PolarHBondContact O-N 3.24Å; E170-S172 VanDerWaalsContact C-N 3.33Å; E170-K173 PolarHBondContact O-N 2.79Å; E170-Q174 WeakPolarHBondContact O-CB 3.45Å; E170-Q174 PolarHBondContact O-N 3.07Å; E170-Q174 PolarHBondContact OE1-NE2 3.03Å; E170-L226 WeakPolarHBondContact CG-O 3.36Å
171V92.6Very high90.2Very high0 Ų062.2 Ų62.20%033%0.327CS..Hα-helixtrans-61-44.7170.9176.70000110.2L132 V133 Y167 K173 L175 Q176 F184 L232L132-V171 HydrophobicContact CD2-CG1 3.84Å; L132-V171 HydrophobicContact CG-CG1 4.15Å; V133-V171 HydrophobicContact CG2-CB 3.95Å; V133-V171 HydrophobicContact CG2-CG1 3.96Å; V133-V171 HydrophobicContact CG2-CG2 4.14Å; Y167-V171 HydrophobicContact CD1-CG2 4.46Å; Y167-V171 HydrophobicContact CD2-CG2 3.75Å; Y167-V171 HydrophobicContact CE1-CG2 4.15Å; Y167-V171 HydrophobicContact CE2-CG2 3.36Å; Y167-V171 HydrophobicContact CG-CG2 4.29Å; Y167-V171 VanDerWaalsContact O-CG2 3.29Å; Y167-V171 WeakPolarHBondContact O-CG2 3.37Å; Y167-V171 PolarHBondContact O-N 3.02Å; V171-K173 VanDerWaalsContact C-N 3.32Å; V171-K173 PolarHBondContact O-N 3.38Å; V171-L175 HydrophobicContact CB-CD1 4.48Å; V171-L175 HydrophobicContact CG1-CB 4.13Å; V171-L175 HydrophobicContact CG1-CD1 4.25Å; V171-L175 HydrophobicContact CG2-CD1 4.26Å; V171-L175 CarbonylContact O-C 3.49Å; V171-L175 WeakPolarHBondContact O-CA 3.35Å; V171-L175 WeakPolarHBondContact O-CB 3.46Å; V171-L175 PolarHBondContact O-N 3.35Å; V171-Q176 PolarHBondContact O-N 3.02Å; V171-F184 HydrophobicContact CG1-CB 3.98Å; V171-F184 HydrophobicContact CG1-CD1 3.81Å; V171-F184 HydrophobicContact CG1-CD2 3.42Å; V171-F184 VanDerWaalsContact CG1-CD2 3.42Å; V171-F184 HydrophobicContact CG1-CE1 4.15Å; V171-F184 HydrophobicContact CG1-CE2 3.77Å; V171-F184 HydrophobicContact CG1-CG 3.44Å; V171-F184 VanDerWaalsContact CG1-CG 3.44Å; V171-F184 HydrophobicContact CG1-CZ 4.12Å; V171-L232 HydrophobicContact CG2-CD2 4.38Å
172S90.1Very high90.5Very high57 Ų5754.9 Ų54.940%0.39930%0.3SS..Hα-helixtrans-62.1-38.9178.5-166.30000112.2A168 N169 E170A168-S172 VanDerWaalsContact O-CB 3.31Å; A168-S172 WeakPolarHBondContact O-CB 3.06Å; A168-S172 PolarHBondContact O-N 3.44Å; N169-S172 PolarHBondContact O-N 2.99Å; E170-S172 VanDerWaalsContact C-N 3.33Å
173K90.3Very high90.7Very high159 Ų15953.2 Ų53.269%0.69128%0.281SS*.Hα-helixtrans-73.5-43.4178.4-72.5171.5-173.2174.80113.8N169 E170 V171N169-K173 VanDerWaalsContact O-CG 3.26Å; N169-K173 WeakPolarHBondContact O-CG 3.27Å; N169-K173 PolarHBondContact O-N 3.47Å; E170-K173 PolarHBondContact O-N 2.79Å; V171-K173 VanDerWaalsContact C-N 3.32Å; V171-K173 PolarHBondContact O-N 3.38Å
174Q89.2Confident91Very high30 Ų3052.2 Ų52.214%0.1428%0.275CS..Hα-helixtrans-103.2-23.4-167.3-64.3-167.640.300114.9E170 R233E170-Q174 WeakPolarHBondContact O-CB 3.45Å; E170-Q174 PolarHBondContact O-N 3.07Å; E170-Q174 PolarHBondContact OE1-NE2 3.03Å; Q174-R233 PolarHBondContact O-NH1 2.92Å
175L90.7Very high91.1Very high0 Ų051.5 Ų51.50%027%0.271CS..  trans-128.410.2-162.6-55.9179.8000114.1L152 V171 D177 L178 K179 F184 L232 R233 I236L152-L175 HydrophobicContact CD2-CD1 4.29Å; V171-L175 HydrophobicContact CB-CD1 4.48Å; V171-L175 HydrophobicContact CG1-CB 4.13Å; V171-L175 HydrophobicContact CG1-CD1 4.25Å; V171-L175 HydrophobicContact CG2-CD1 4.26Å; V171-L175 CarbonylContact O-C 3.49Å; V171-L175 WeakPolarHBondContact O-CA 3.35Å; V171-L175 WeakPolarHBondContact O-CB 3.46Å; V171-L175 PolarHBondContact O-N 3.35Å; L175-D177 PolarHBondContact O-N 2.83Å; L175-L178 HydrophobicContact CD2-CD1 3.92Å; L175-L178 PolarHBondContact O-N 3.46Å; L175-K179 PolarHBondContact O-N 3.15Å; L175-F184 HydrophobicContact CB-CE1 4.13Å; L175-F184 HydrophobicContact CB-CE2 4.37Å; L175-F184 HydrophobicContact CB-CZ 3.71Å; L175-F184 HydrophobicContact CD1-CD1 4.36Å; L175-F184 HydrophobicContact CD1-CE1 3.71Å; L175-F184 HydrophobicContact CD1-CZ 4.16Å; L175-L232 HydrophobicContact CD1-CD2 3.49Å; L175-L232 VanDerWaalsContact CD1-CD2 3.49Å; L175-L232 HydrophobicContact CD1-CG 3.82Å; L175-L232 HydrophobicContact CG-CD2 4.28Å; L175-R233 HydrophobicContact CD2-CB 3.91Å; L175-R233 HydrophobicContact CD2-CG 4.25Å; L175-I236 HydrophobicContact CD1-CD1 3.67Å; L175-I236 HydrophobicContact CD2-CD1 3.86Å; L175-I236 HydrophobicContact CG-CD1 4.36Å
176Q87Confident91.3Very high134 Ų13446.9 Ų46.963%0.62625%0.25SS*.G310 helixtrans-58.6-32.7-179.1-165.8176.110.700112.3V171 L178 K179V171-Q176 PolarHBondContact O-N 3.02Å; Q176-L178 VanDerWaalsContact C-N 3.29Å; Q176-L178 PolarHBondContact O-N 3.39Å; Q176-K179 WeakPolarHBondContact O-CB 3.43Å; Q176-K179 PolarHBondContact O-N 3.45Å
177D89.7Confident91.5Very high90 Ų9043.8 Ų43.848%0.48123%0.231SC..G310 helixtrans-67.9-26.2175.364.6-45.2000113.3L175 R233L175-D177 PolarHBondContact O-N 2.83Å; D177-R233 IonicContact OD1-NH1 2.79Å; D177-R233 PolarHBondContact OD1-NH1 3.47Å; D177-R233 IonicContact OD2-CZ 3.11Å; D177-R233 VanDerWaalsContact OD2-CZ 3.24Å; D177-R233 IonicContact OD2-NH1 2.77Å; D177-R233 PolarHBondContact OD2-NH1 3.44Å; D177-R233 IonicContact OD2-NH2 3.24Å; D177-R233 PolarHBondContact OD2-NH2 3.15Å
178L89.6Confident91.4Very high14 Ų1444.5 Ų44.57%0.07324%0.235CC..G310 helixtrans-92.82.6-178.3-69168.3000113.8L175 Q176 S180 S181 V182 F184 R233 I236L175-L178 HydrophobicContact CD2-CD1 3.92Å; L175-L178 PolarHBondContact O-N 3.46Å; Q176-L178 VanDerWaalsContact C-N 3.29Å; Q176-L178 PolarHBondContact O-N 3.39Å; L178-S180 PolarHBondContact O-N 3.38Å; L178-S180 VanDerWaalsContact O-N 3.1Å; L178-S181 PolarHBondContact O-N 2.8Å; L178-V182 PolarHBondContact O-N 2.85Å; L178-V182 VanDerWaalsContact O-N 3.11Å; L178-F184 HydrophobicContact CB-CZ 4.33Å; L178-R233 HydrophobicContact CD1-CG 4.35Å; L178-I236 HydrophobicContact CD1-CB 4.49Å; L178-I236 HydrophobicContact CD1-CD1 4.36Å; L178-I236 HydrophobicContact CD1-CG2 4.11Å
179K86.9Confident91.3Very high113 Ų11343 Ų4349%0.49122%0.222SC..G310 helixtrans-53.5-30174.7-176.9-174.5-175.3176.30113L132 R149 L175 Q176 S181 F184L132-K179 HydrophobicContact CD1-CB 3.97Å; L132-K179 HydrophobicContact CD1-CD 3.62Å; L132-K179 HydrophobicContact CD1-CG 3.65Å; R149-K179 PolarHBondContact NH1-O 3.23Å; R149-K179 VanDerWaalsContact NH1-O 3.14Å; L175-K179 PolarHBondContact O-N 3.15Å; Q176-K179 WeakPolarHBondContact O-CB 3.43Å; Q176-K179 PolarHBondContact O-N 3.45Å; K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 PolarHBondContact O-N 3.32Å; K179-F184 HydrophobicContact CB-CE2 4.41Å
180S88.4Confident91.2Very high75 Ų7543.2 Ų43.252%0.52422%0.22SC..G310 helixtrans-76.6-12.3178.363.40000114R149 L178R149-S180 PolarHBondContact NE-O 3.39Å; R149-S180 PolarHBondContact NH1-O 3.26Å; R149-S180 PolarHBondContact NH2-O 3.49Å; R149-S180 VanDerWaalsContact NH2-O 3.16Å; L178-S180 PolarHBondContact O-N 3.38Å; L178-S180 VanDerWaalsContact O-N 3.1Å
181S90.6Very high91Very high44 Ų4445.1 Ų45.131%0.30823%0.233SC..THydrogen-bonded Turntrans-115.6-31.7-172-61.50000113.2P150 L178 K179P150-S181 WeakPolarHBondContact CD-O 3.18Å; L178-S181 PolarHBondContact O-N 2.8Å; K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 PolarHBondContact O-N 3.32Å
182V93Very high90.8Very high2 Ų245.3 Ų45.31%0.01223%0.234CC..  trans-132.6143.3-173.9-175.80000109.8P150 L152 L178 F184 I236P150-V182 HydrophobicContact CG-CG2 4.17Å; P150-V182 WeakPolarHBondContact O-CG1 3.31Å; L152-V182 HydrophobicContact CB-CG1 3.91Å; L178-V182 PolarHBondContact O-N 2.85Å; L178-V182 VanDerWaalsContact O-N 3.11Å; V182-F184 HydrophobicContact CB-CE1 4.12Å; V182-F184 HydrophobicContact CB-CZ 4.4Å; V182-F184 HydrophobicContact CG1-CD1 4.36Å; V182-F184 HydrophobicContact CG1-CE1 4.09Å; V182-I236 HydrophobicContact CG2-CG2 3.67Å
183N93.7Very high90.6Very high9 Ų944.2 Ų44.25%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-92.6119.6170.9-88.9-31.6000110.9R134 E147 P150 F151 L152 L185R134-N183 PolarHBondContact NH2-OD1 3.29Å; E147-N183 VanDerWaalsContact OE2-CG 3.32Å; E147-N183 PolarHBondContact OE2-ND2 3.47Å; E147-N183 PolarHBondContact OE2-OD1 3.16Å; E147-N183 VanDerWaalsContact OE2-OD1 3.08Å; P150-N183 PolarHBondContact O-N 3.24Å; F151-N183 HydrophobicContact CD1-CB 3.83Å; F151-N183 HydrophobicContact CE1-CB 4.19Å; L152-N183 PolarHBondContact N-O 3.3Å; N183-L185 HydrophobicContact CB-CG 4.41Å
184F95.5Very high90.3Very high3 Ų342.3 Ų42.31%0.01322%0.222CC..EExtended strand (participates in β ladder)trans-89.4117.3177.5-50-61.5000109.6L132 V133 R134 L152 V171 L175 L178 K179 V182 I236L132-F184 HydrophobicContact CD1-CD2 3.88Å; L132-F184 HydrophobicContact CD1-CE2 4.11Å; L132-F184 HydrophobicContact CG-CD2 4.07Å; V133-F184 WeakPolarHBondContact CA-O 3.47Å; V133-F184 HydrophobicContact CB-CB 4.38Å; V133-F184 HydrophobicContact CG1-CB 4.21Å; V133-F184 HydrophobicContact CG2-CB 3.97Å; R134-F184 PolarHBondContact N-O 2.76Å; L152-F184 HydrophobicContact CB-CD1 4.16Å; L152-F184 HydrophobicContact CD2-CD1 3.86Å; L152-F184 HydrophobicContact CD2-CE1 4.16Å; V171-F184 HydrophobicContact CG1-CB 3.98Å; V171-F184 HydrophobicContact CG1-CD1 3.81Å; V171-F184 HydrophobicContact CG1-CD2 3.42Å; V171-F184 VanDerWaalsContact CG1-CD2 3.42Å; V171-F184 HydrophobicContact CG1-CE1 4.15Å; V171-F184 HydrophobicContact CG1-CE2 3.77Å; V171-F184 HydrophobicContact CG1-CG 3.44Å; V171-F184 VanDerWaalsContact CG1-CG 3.44Å; V171-F184 HydrophobicContact CG1-CZ 4.12Å; L175-F184 HydrophobicContact CB-CE1 4.13Å; L175-F184 HydrophobicContact CB-CE2 4.37Å; L175-F184 HydrophobicContact CB-CZ 3.71Å; L175-F184 HydrophobicContact CD1-CD1 4.36Å; L175-F184 HydrophobicContact CD1-CE1 3.71Å; L175-F184 HydrophobicContact CD1-CZ 4.16Å; L178-F184 HydrophobicContact CB-CZ 4.33Å; K179-F184 HydrophobicContact CB-CE2 4.41Å; V182-F184 HydrophobicContact CB-CE1 4.12Å; V182-F184 HydrophobicContact CB-CZ 4.4Å; V182-F184 HydrophobicContact CG1-CD1 4.36Å; V182-F184 HydrophobicContact CG1-CE1 4.09Å; F184-I236 HydrophobicContact CE1-CD1 3.94Å
185L95.3Very high90.1Very high0 Ų041.3 Ų41.30%022%0.218CC..EExtended strand (participates in β ladder)trans-130.8156.3-172.6-56.7174.2000111.2R134 I136 L144 F151 L152 I153 L154 N183R134-L185 HydrophobicContact CB-CD2 3.87Å; R134-L185 CarbonylContact O-C 3.47Å; R134-L185 WeakPolarHBondContact O-CA 3.31Å; I136-L185 HydrophobicContact CB-CB 4.44Å; I136-L185 HydrophobicContact CB-CD1 4.19Å; I136-L185 HydrophobicContact CD1-CD1 3.97Å; I136-L185 HydrophobicContact CG2-CB 4.26Å; L144-L185 HydrophobicContact CD1-CD1 4.2Å; L144-L185 HydrophobicContact CD1-CD2 3.88Å; L144-L185 HydrophobicContact CD2-CD2 4.27Å; F151-L185 HydrophobicContact CB-CD1 4Å; F151-L185 HydrophobicContact CD1-CD1 3.75Å; F151-L185 HydrophobicContact CD2-CD1 3.77Å; F151-L185 HydrophobicContact CE1-CD1 4.04Å; F151-L185 HydrophobicContact CE2-CD1 4.06Å; F151-L185 HydrophobicContact CG-CD1 3.59Å; F151-L185 HydrophobicContact CZ-CD1 4.17Å; L152-L185 PolarHBondContact O-N 2.93Å; L152-L185 VanDerWaalsContact O-O 3.11Å; I153-L185 WeakPolarHBondContact CA-O 3.47Å; I153-L185 HydrophobicContact CG1-CB 4.31Å; I153-L185 HydrophobicContact CG1-CD1 4.48Å; L154-L185 PolarHBondContact N-O 3.42Å; N183-L185 HydrophobicContact CB-CG 4.41Å
186Y95.2Very high89.8Confident36 Ų3641.3 Ų41.314%0.14122%0.218CC..EExtended strand (participates in β ladder)trans-131.1149.8164.266.9-93.9000110V133 R134 E135 I136 L154 Y156 V164V133-Y186 HydrophobicContact CG1-CD1 3.81Å; R134-Y186 PolarHBondContact O-N 3.38Å; E135-Y186 WeakPolarHBondContact CA-O 3.44Å; E135-Y186 HydrophobicContact CB-CD2 4.34Å; E135-Y186 HydrophobicContact CB-CE1 4.19Å; E135-Y186 HydrophobicContact CB-CE2 3.61Å; E135-Y186 WeakPolarHBondContact CB-OH 3.43Å; E135-Y186 HydrophobicContact CG-CD2 4.06Å; E135-Y186 HydrophobicContact CG-CE2 3.48Å; E135-Y186 VanDerWaalsContact CG-CE2 3.48Å; E135-Y186 WeakPolarHBondContact OE2-CE2 3.48Å; E135-Y186 PolarHBondContact OE2-OH 3.46Å; I136-Y186 PolarHBondContact N-O 2.88Å; L154-Y186 CarbonylContact O-C 3.53Å; L154-Y186 WeakPolarHBondContact O-CA 3.26Å; Y156-Y186 HydrophobicContact CD1-CD2 4.17Å; Y156-Y186 AromaticContact CE1-CD2 3.67Å; Y156-Y186 HydrophobicContact CE1-CD2 3.67Å; Y156-Y186 HydrophobicContact CE1-CE2 4.28Å; V164-Y186 HydrophobicContact CG1-CD1 3.6Å; V164-Y186 HydrophobicContact CG1-CD2 3.94Å; V164-Y186 HydrophobicContact CG1-CE1 3.87Å; V164-Y186 HydrophobicContact CG1-CE2 4.2Å; V164-Y186 HydrophobicContact CG1-CG 3.65Å; V164-Y186 HydrophobicContact CG2-CD2 4.22Å; V164-Y186 HydrophobicContact CG2-CG 4.37Å
187A93.7Very high89.7Confident0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-140.8142.1-172.900000111I136 I153 L154 F155 Y156 G189 F192I136-A187 HydrophobicContact CG2-CB 3.53Å; I153-A187 HydrophobicContact CG2-CB 3.81Å; L154-A187 PolarHBondContact O-N 3.06Å; F155-A187 WeakPolarHBondContact CA-O 3.4Å; F155-A187 HydrophobicContact CD1-CB 3.78Å; F155-A187 HydrophobicContact CE1-CB 3.86Å; Y156-A187 WeakPolarHBondContact CD1-O 3.34Å; Y156-A187 WeakPolarHBondContact CE1-O 3.47Å; Y156-A187 PolarHBondContact N-O 2.95Å; A187-G189 PolarHBondContact O-N 2.85Å; A187-F192 HydrophobicContact CB-CD2 3.8Å; A187-F192 HydrophobicContact CB-CE2 4.13Å; A187-F192 HydrophobicContact CB-CG 4.35Å
188D92.5Very high89.3Confident15 Ų1541.4 Ų41.48%0.0822%0.215CC..EExtended strand (participates in β ladder)trans-67.3116.7169174.217.3000109.4Y156 K158 H190 T191 F192Y156-D188 HydrophobicContact CE1-CB 4.4Å; K158-D188 WeakPolarHBondContact CE-OD2 3.5Å; K158-D188 IonicContact NZ-OD2 3.03Å; D188-H190 PolarHBondContact O-N 3.49Å; D188-H190 PolarHBondContact OD1-N 3.38Å; D188-T191 PolarHBondContact O-N 3.22Å; D188-T191 PolarHBondContact OD2-OG1 3.37Å; D188-F192 WeakPolarHBondContact O-CD2 3.42Å; D188-F192 PolarHBondContact O-N 3.37Å
189G89.4Confident88.9Confident0 Ų041.6 Ų41.60%022%0.216CC..THydrogen-bonded Turntrans-62.8-26-178.100000113.4Y156 A187 F192 A193 L196Y156-G189 PolarHBondContact O-N 3.36Å; A187-G189 PolarHBondContact O-N 2.85Å; G189-F192 CarbonylContact O-C 3.57Å; G189-A193 WeakPolarHBondContact O-CA 3.45Å; G189-A193 PolarHBondContact O-N 2.78Å; G189-A193 VanDerWaalsContact O-N 3.1Å; G189-L196 WeakPolarHBondContact O-CD1 3.44Å
190H90.3Very high88.8Confident102 Ų10239.2 Ų39.247%0.47222%0.224SC..THydrogen-bonded Turntrans-71.9-47.3174.3-176.168.3000111.5D188 F192 A193 E203D188-H190 PolarHBondContact O-N 3.49Å; D188-H190 PolarHBondContact OD1-N 3.38Å; H190-F192 VanDerWaalsContact C-N 3.26Å; H190-F192 PolarHBondContact O-N 2.8Å; H190-A193 WeakPolarHBondContact O-CB 3.34Å; H190-A193 PolarHBondContact O-N 3.48Å; H190-E203 IonicContact CE1-OE1 2.92Å; H190-E203 IonicContact CG-OE1 3.32Å; H190-E203 VanDerWaalsContact ND1-CD 3.33Å; H190-E203 IonicContact ND1-OE1 3.48Å; H190-E203 PolarHBondContact ND1-OE1 3.41Å; H190-E203 IonicContact ND1-OE2 3.27Å; H190-E203 PolarHBondContact ND1-OE2 3.02Å
191T88.7Confident88.8Confident65 Ų6538.8 Ų38.840%0.39921%0.213SC..THydrogen-bonded Turntrans-62.8-34177.6-60.70000111.8F138 D188F138-T191 HydrophobicContact CD2-CG2 3.99Å; F138-T191 HydrophobicContact CE2-CG2 3.45Å; F138-T191 VanDerWaalsContact CE2-CG2 3.45Å; F138-T191 HydrophobicContact CZ-CG2 4.35Å; F138-T191 WeakPolarHBondContact CZ-O 3.47Å; D188-T191 PolarHBondContact O-N 3.22Å; D188-T191 PolarHBondContact OD2-OG1 3.37Å
192F88.3Confident88.8Confident3 Ų339.4 Ų39.41%0.01322%0.217CC..THydrogen-bonded Turntrans-106.734.4178.6-67.2-92000113.5I136 F138 F155 A187 D188 G189 H190 H194 P195 L196 F280I136-F192 HydrophobicContact CG1-CZ 4.21Å; I136-F192 HydrophobicContact CG2-CZ 4.42Å; I136-F192 WeakPolarHBondContact O-CE2 3.47Å; I136-F192 WeakPolarHBondContact O-CZ 3.24Å; F138-F192 HydrophobicContact CD1-CE1 4.2Å; F138-F192 HydrophobicContact CE1-CD1 4.17Å; F138-F192 AromaticContact CE1-CE1 3.83Å; F138-F192 HydrophobicContact CE1-CE1 3.83Å; F138-F192 HydrophobicContact CE1-CZ 4.46Å; F138-F192 HydrophobicContact CZ-CD1 4.16Å; F138-F192 HydrophobicContact CZ-CE1 4.1Å; F155-F192 HydrophobicContact CD1-CB 4.27Å; F155-F192 HydrophobicContact CE1-CB 3.83Å; F155-F192 HydrophobicContact CE1-CG 4.49Å; A187-F192 HydrophobicContact CB-CD2 3.8Å; A187-F192 HydrophobicContact CB-CE2 4.13Å; A187-F192 HydrophobicContact CB-CG 4.35Å; D188-F192 WeakPolarHBondContact O-CD2 3.42Å; D188-F192 PolarHBondContact O-N 3.37Å; G189-F192 CarbonylContact O-C 3.57Å; H190-F192 VanDerWaalsContact C-N 3.26Å; H190-F192 PolarHBondContact O-N 2.8Å; F192-H194 PolarHBondContact O-N 2.89Å; F192-P195 HydrophobicContact CB-CG 4.27Å; F192-P195 HydrophobicContact CD1-CG 4.15Å; F192-P195 VanDerWaalsContact O-CD 3.23Å; F192-P195 WeakPolarHBondContact O-CD 3.09Å; F192-L196 PolarHBondContact O-N 3.29Å; F192-F280 HydrophobicContact CD1-CE1 4.03Å; F192-F280 HydrophobicContact CD1-CZ 4.09Å; F192-F280 AromaticContact CE1-CE1 3.96Å; F192-F280 HydrophobicContact CE1-CE1 3.96Å; F192-F280 HydrophobicContact CE1-CZ 4.47Å
193A85.8Confident88.5Confident34 Ų3443.5 Ų43.528%0.28124%0.236SC..Hα-helixtrans-58.8-33.1177.800000113.3G189 H190 L196 H197G189-A193 WeakPolarHBondContact O-CA 3.45Å; G189-A193 PolarHBondContact O-N 2.78Å; G189-A193 VanDerWaalsContact O-N 3.1Å; H190-A193 WeakPolarHBondContact O-CB 3.34Å; H190-A193 PolarHBondContact O-N 3.48Å; A193-L196 WeakPolarHBondContact O-CB 3.41Å; A193-L196 PolarHBondContact O-N 3.26Å; A193-H197 PolarHBondContact O-N 2.82Å
194H83.6Confident88.2Confident119 Ų11947.6 Ų47.655%0.55127%0.271SS*.Hα-helixtrans-65.4-50.9179.4177.7-84.5000112.9F192 L196 H197 H198F192-H194 PolarHBondContact O-N 2.89Å; H194-L196 VanDerWaalsContact C-N 3.29Å; H194-L196 PolarHBondContact O-N 3.41Å; H194-H197 PolarHBondContact O-N 3.31Å; H194-H198 AromaticContact CE1-CD2 3.57Å; H194-H198 AromaticContact CE1-NE2 3.3Å; H194-H198 PolarHBondContact CE1-NE2 3.48Å; H194-H198 VanDerWaalsContact CE1-NE2 3.3Å; H194-H198 AromaticContact ND1-CD2 3.92Å; H194-H198 AromaticContact NE2-NE2 3.75Å; H194-H198 PolarHBondContact O-CD2 3.2Å; H194-H198 PolarHBondContact O-N 2.68Å
195P84.3Confident87.8Confident9 Ų950.4 Ų50.46%0.05829%0.286CS..Hα-helixtrans-54.2-39168.1-28.832.3000115.2F192 H197 H198 L199 V279 F280F192-P195 HydrophobicContact CB-CG 4.27Å; F192-P195 HydrophobicContact CD1-CG 4.15Å; F192-P195 VanDerWaalsContact O-CD 3.23Å; F192-P195 WeakPolarHBondContact O-CD 3.09Å; P195-H197 VanDerWaalsContact C-N 3.32Å; P195-H197 PolarHBondContact O-N 2.94Å; P195-H198 PolarHBondContact O-N 3.39Å; P195-L199 PolarHBondContact O-N 3.24Å; P195-V279 HydrophobicContact CB-CB 4.21Å; P195-V279 HydrophobicContact CB-CG1 4.11Å; P195-V279 HydrophobicContact CG-CB 4.43Å; P195-V279 HydrophobicContact CG-CG1 3.85Å; P195-F280 HydrophobicContact CB-CE2 3.85Å; P195-F280 HydrophobicContact CB-CZ 4.16Å; P195-F280 HydrophobicContact CG-CE2 4.26Å; P195-F280 HydrophobicContact CG-CZ 4.2Å
196L85.2Confident87.6Confident1 Ų151.7 Ų51.71%0.00529%0.293CS..Hα-helixtrans-63-39.9176.5-71.8175.2000112F155 G189 F192 A193 H194 H198 L199 G200 K201 L206 L208F155-L196 HydrophobicContact CB-CD2 4.12Å; F155-L196 HydrophobicContact CD1-CD1 4.48Å; F155-L196 HydrophobicContact CD1-CD2 4.04Å; F155-L196 HydrophobicContact CD1-CG 4.23Å; F155-L196 HydrophobicContact CD2-CD2 3.82Å; F155-L196 HydrophobicContact CE1-CD2 4.43Å; F155-L196 HydrophobicContact CE2-CD2 4.22Å; F155-L196 HydrophobicContact CG-CD2 3.71Å; F155-L196 HydrophobicContact CG-CG 4.37Å; G189-L196 WeakPolarHBondContact O-CD1 3.44Å; F192-L196 PolarHBondContact O-N 3.29Å; A193-L196 WeakPolarHBondContact O-CB 3.41Å; A193-L196 PolarHBondContact O-N 3.26Å; H194-L196 VanDerWaalsContact C-N 3.29Å; H194-L196 PolarHBondContact O-N 3.41Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 3.31Å; L196-L199 WeakPolarHBondContact O-CA 3.35Å; L196-L199 WeakPolarHBondContact O-CB 3.02Å; L196-L199 PolarHBondContact O-N 2.95Å; L196-G200 PolarHBondContact O-N 3.42Å; L196-K201 CarbonylContact C-O 3.44Å; L196-K201 PolarHBondContact O-N 2.99Å; L196-L206 HydrophobicContact CD1-CD2 3.95Å; L196-L208 HydrophobicContact CD2-CD1 3.6Å
197H84.7Confident87.4Confident147 Ų14751.3 Ų51.368%0.68130%0.295SS*.Hα-helixtrans-62.7-35.5178.9-166.968.1000112.6A193 H194 P195 L199 G200 K201A193-H197 PolarHBondContact O-N 2.82Å; H194-H197 PolarHBondContact O-N 3.31Å; P195-H197 VanDerWaalsContact C-N 3.32Å; P195-H197 PolarHBondContact O-N 2.94Å; H197-L199 PolarHBondContact O-N 2.85Å; H197-G200 WeakPolarHBondContact O-CA 3.49Å; H197-G200 PolarHBondContact O-N 3.23Å; H197-K201 WeakPolarHBondContact CA-O 3.21Å; H197-K201 PolarHBondContact N-O 3.18Å
198H80.2Confident87.4Confident78 Ų7852.2 Ų52.236%0.36130%0.3SS..Hα-helixtrans-64.4-28.8174-86-84.7000113.3H194 P195 L196 G200 A276 V279H194-H198 AromaticContact CE1-CD2 3.57Å; H194-H198 AromaticContact CE1-NE2 3.3Å; H194-H198 PolarHBondContact CE1-NE2 3.48Å; H194-H198 VanDerWaalsContact CE1-NE2 3.3Å; H194-H198 AromaticContact ND1-CD2 3.92Å; H194-H198 AromaticContact NE2-NE2 3.75Å; H194-H198 PolarHBondContact O-CD2 3.2Å; H194-H198 PolarHBondContact O-N 2.68Å; P195-H198 PolarHBondContact O-N 3.39Å; L196-H198 VanDerWaalsContact C-N 3.28Å; L196-H198 PolarHBondContact O-N 3.31Å; H198-G200 PolarHBondContact O-N 3.39Å; H198-A276 WeakPolarHBondContact O-CB 3.45Å; H198-V279 HydrophobicContact CB-CG2 3.38Å; H198-V279 VanDerWaalsContact CD2-CG2 3.43Å; H198-V279 WeakPolarHBondContact CD2-CG2 3.36Å
199L82.3Confident87.4Confident18 Ų1851.7 Ų51.79%0.09430%0.297CS..THydrogen-bonded Turntrans-77.90.3171.1-74.3171.8000113.1P195 L196 H197 K201 A210 M217 L219 A276P195-L199 PolarHBondContact O-N 3.24Å; L196-L199 WeakPolarHBondContact O-CA 3.35Å; L196-L199 WeakPolarHBondContact O-CB 3.02Å; L196-L199 PolarHBondContact O-N 2.95Å; H197-L199 PolarHBondContact O-N 2.85Å; L199-K201 HydrophobicContact CB-CB 4.43Å; L199-K201 HydrophobicContact CB-CG 4.27Å; L199-K201 PolarHBondContact O-N 3.23Å; L199-A210 HydrophobicContact CD1-CB 4.1Å; L199-M217 HydrophobicContact CD1-CE 3.54Å; L199-M217 HydrophobicContact CD2-CB 3.64Å; L199-M217 HydrophobicContact CD2-CE 4.3Å; L199-M217 HydrophobicContact CG-CB 4.42Å; L199-M217 HydrophobicContact CG-CE 3.86Å; L199-M217 HydrophobicContact CG-SD 4.42Å; L199-L219 HydrophobicContact CB-CD1 4.4Å; L199-L219 HydrophobicContact CD1-CD2 3.92Å; L199-L219 HydrophobicContact CD1-CG 4.39Å; L199-L219 HydrophobicContact CD2-CD1 4.34Å; L199-L219 HydrophobicContact CD2-CD2 4.41Å; L199-L219 HydrophobicContact CD2-CG 3.96Å; L199-A276 HydrophobicContact CD2-CB 4.2Å
200G84.2Confident87.6Confident64 Ų6451.8 Ų51.866%0.6630%0.297SS*.THydrogen-bonded Turntrans68.523.8-171.300000112.9L196 H197 H198L196-G200 PolarHBondContact O-N 3.42Å; H197-G200 WeakPolarHBondContact O-CA 3.49Å; H197-G200 PolarHBondContact O-N 3.23Å; H198-G200 PolarHBondContact O-N 3.39Å
201K88.8Confident87.8Confident66 Ų6647 Ų4729%0.28728%0.275SS..  trans-115.6155.9-178.3-65.9-59.8-172.4177.90111.5L196 H197 L199 D205 L208 L219L196-K201 CarbonylContact C-O 3.44Å; L196-K201 PolarHBondContact O-N 2.99Å; H197-K201 WeakPolarHBondContact CA-O 3.21Å; H197-K201 PolarHBondContact N-O 3.18Å; L199-K201 HydrophobicContact CB-CB 4.43Å; L199-K201 HydrophobicContact CB-CG 4.27Å; L199-K201 PolarHBondContact O-N 3.23Å; K201-D205 HydrophobicContact CB-CB 4.39Å; K201-D205 HydrophobicContact CD-CB 3.89Å; K201-D205 IonicContact NZ-OD1 2.7Å; K201-D205 PolarHBondContact NZ-OD1 2.98Å; K201-D205 VanDerWaalsContact NZ-OD1 3.11Å; K201-L208 HydrophobicContact CB-CD1 3.87Å; K201-L208 HydrophobicContact CG-CD1 4.2Å; K201-L219 HydrophobicContact CG-CD1 4.26Å; K201-L219 HydrophobicContact CG-CD2 4.48Å
202S89.2Confident87.9Confident57 Ų5743.9 Ų43.940%0.39926%0.256SS..  trans-124.5174.4-179.5690000111A204 D205S202-A204 PolarHBondContact O-N 3.36Å; S202-A204 PolarHBondContact OG-N 3.37Å; S202-D205 PolarHBondContact N-OD2 2.85Å; S202-D205 PolarHBondContact O-N 2.63Å; S202-D205 PolarHBondContact OG-OD2 3.2Å
203E87.2Confident88Confident88 Ų8845.3 Ų45.341%0.41127%0.266SS..G310 helixtrans-60-23.7173.9-63.7-179.7-168.500112.7H190 D205 L206H190-E203 IonicContact CE1-OE1 2.92Å; H190-E203 IonicContact CG-OE1 3.32Å; H190-E203 VanDerWaalsContact ND1-CD 3.33Å; H190-E203 IonicContact ND1-OE1 3.48Å; H190-E203 PolarHBondContact ND1-OE1 3.41Å; H190-E203 IonicContact ND1-OE2 3.27Å; H190-E203 PolarHBondContact ND1-OE2 3.02Å; E203-D205 VanDerWaalsContact C-N 3.27Å; E203-D205 PolarHBondContact O-N 3.37Å; E203-L206 HydrophobicContact CB-CD1 4.24Å; E203-L206 WeakPolarHBondContact O-CB 3.38Å; E203-L206 WeakPolarHBondContact O-CD1 3.43Å; E203-L206 WeakPolarHBondContact O-CG 3.45Å; E203-L206 PolarHBondContact O-N 3.24Å
204A87.4Confident88Confident95 Ų9544.7 Ų44.779%0.78526%0.257SS*.G310 helixtrans-72.2-19.8176.800000113.3S202 L206S202-A204 PolarHBondContact O-N 3.36Å; S202-A204 PolarHBondContact OG-N 3.37Å; A204-L206 VanDerWaalsContact C-N 3.32Å
205D88Confident88Confident62 Ų6248.6 Ų48.633%0.33227%0.267SS..G310 helixtrans-86.7-3.7179.4-63-91.5000112.7K201 S202 E203 L208K201-D205 HydrophobicContact CB-CB 4.39Å; K201-D205 HydrophobicContact CD-CB 3.89Å; K201-D205 IonicContact NZ-OD1 2.7Å; K201-D205 PolarHBondContact NZ-OD1 2.98Å; K201-D205 VanDerWaalsContact NZ-OD1 3.11Å; S202-D205 PolarHBondContact N-OD2 2.85Å; S202-D205 PolarHBondContact O-N 2.63Å; S202-D205 PolarHBondContact OG-OD2 3.2Å; E203-D205 VanDerWaalsContact C-N 3.27Å; E203-D205 PolarHBondContact O-N 3.37Å; D205-L208 HydrophobicContact CB-CD1 4.01Å; D205-L208 HydrophobicContact CB-CD2 3.99Å; D205-L208 HydrophobicContact CB-CG 4.33Å; D205-L208 WeakPolarHBondContact O-CD2 3.19Å; D205-L208 VanDerWaalsContact O-CG 3.27Å; D205-L208 WeakPolarHBondContact O-CG 3.43Å
206L89.8Confident88.1Confident27 Ų2749.5 Ų49.514%0.14127%0.271CS..  trans-68.3143.2-179.1-64.5170.2000111.6F155 L196 E203 A204 L208F155-L206 HydrophobicContact CB-CD2 3.49Å; F155-L206 VanDerWaalsContact CB-CD2 3.49Å; L196-L206 HydrophobicContact CD1-CD2 3.95Å; E203-L206 HydrophobicContact CB-CD1 4.24Å; E203-L206 WeakPolarHBondContact O-CB 3.38Å; E203-L206 WeakPolarHBondContact O-CD1 3.43Å; E203-L206 WeakPolarHBondContact O-CG 3.45Å; E203-L206 PolarHBondContact O-N 3.24Å; A204-L206 VanDerWaalsContact C-N 3.32Å; L206-L208 HydrophobicContact CD2-CD1 3.97Å; L206-L208 HydrophobicContact CD2-CG 4.29Å
207P92.9Very high88.3Confident27 Ų2749.5 Ų49.518%0.17527%0.27CS..SBendcis-87.4145.54.431.5-31.4000114.4F155 I163 I223F155-P207 VanDerWaalsContact O-CA 3.27Å; F155-P207 WeakPolarHBondContact O-CA 3.42Å; I163-P207 HydrophobicContact CD1-CB 3.71Å; I163-P207 HydrophobicContact CD1-CG 3.37Å; I163-P207 HydrophobicContact CG2-CB 4.24Å; P207-I223 HydrophobicContact CG-CG1 4.25Å
208L92.2Very high88.5Confident20 Ų2042.7 Ų42.711%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-129.2142.5-174.5-60.2160000110.5L154 F155 L196 K201 D205 L206L154-L208 CarbonylContact C-O 3.53Å; F155-L208 HydrophobicContact CB-CB 4.4Å; F155-L208 PolarHBondContact N-O 3.01Å; F155-L208 PolarHBondContact O-N 2.85Å; L196-L208 HydrophobicContact CD2-CD1 3.6Å; K201-L208 HydrophobicContact CB-CD1 3.87Å; K201-L208 HydrophobicContact CG-CD1 4.2Å; D205-L208 HydrophobicContact CB-CD1 4.01Å; D205-L208 HydrophobicContact CB-CD2 3.99Å; D205-L208 HydrophobicContact CB-CG 4.33Å; D205-L208 WeakPolarHBondContact O-CD2 3.19Å; D205-L208 VanDerWaalsContact O-CG 3.27Å; D205-L208 WeakPolarHBondContact O-CG 3.43Å; L206-L208 HydrophobicContact CD2-CD1 3.97Å; L206-L208 HydrophobicContact CD2-CG 4.29Å
209L93.7Very high89.1Confident4 Ų439.7 Ų39.72%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-114.4131.4171.9-176.473.5000109.2L152 L154 Y167 F220 I223 L226 L232L152-L209 HydrophobicContact CD1-CD1 3.89Å; L152-L209 HydrophobicContact CD1-CD2 4.17Å; L152-L209 HydrophobicContact CD1-CG 3.98Å; L152-L209 HydrophobicContact CG-CD1 4.01Å; L154-L209 HydrophobicContact CB-CD1 4.12Å; Y167-L209 HydrophobicContact CE2-CD1 3.86Å; L209-F220 HydrophobicContact CB-CB 3.83Å; L209-F220 HydrophobicContact CB-CD1 4.43Å; L209-F220 HydrophobicContact CB-CG 4.39Å; L209-F220 HydrophobicContact CD2-CB 4.02Å; L209-F220 HydrophobicContact CD2-CD1 3.97Å; L209-F220 HydrophobicContact CD2-CD2 4.31Å; L209-F220 HydrophobicContact CD2-CE1 4.49Å; L209-F220 HydrophobicContact CD2-CG 3.85Å; L209-F220 HydrophobicContact CG-CB 4.13Å; L209-F220 HydrophobicContact CG-CG 4.5Å; L209-F220 VanDerWaalsContact O-CB 3.25Å; L209-F220 WeakPolarHBondContact O-CB 3.21Å; L209-F220 PolarHBondContact O-N 3.23Å; L209-I223 HydrophobicContact CB-CD1 4.04Å; L209-L226 HydrophobicContact CD2-CD1 4.04Å; L209-L232 HydrophobicContact CD2-CD1 3.38Å
210A93.3Very high89.5Confident1 Ų139.8 Ų39.81%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-139.3150.1178.600000111.4I153 F155 L199 Y218 L219I153-A210 PolarHBondContact N-O 3.44Å; I153-A210 PolarHBondContact O-N 3.27Å; F155-A210 HydrophobicContact CE2-CB 4.28Å; L199-A210 HydrophobicContact CD1-CB 4.1Å; A210-Y218 CarbonylContact C-O 3.59Å; A210-Y218 VanDerWaalsContact CA-O 3.23Å; A210-Y218 WeakPolarHBondContact CA-O 3.46Å; A210-L219 HydrophobicContact CB-CD2 4.4Å
211I93.7Very high89.5Confident1 Ų142.1 Ų42.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-100.3129.9167.1-76.1174.2000108.4F151 L152 M217 Y218 F235 I236 L239F151-I211 CarbonylContact O-C 3.43Å; F151-I211 WeakPolarHBondContact O-CA 3.36Å; L152-I211 HydrophobicContact CD1-CD1 4.11Å; L152-I211 HydrophobicContact CD1-CG1 3.41Å; L152-I211 VanDerWaalsContact CD1-CG1 3.41Å; I211-M217 CarbonylContact O-C 3.46Å; I211-M217 WeakPolarHBondContact O-CA 3.37Å; I211-Y218 HydrophobicContact CG2-CD2 4.3Å; I211-Y218 PolarHBondContact N-O 3.41Å; I211-Y218 PolarHBondContact O-N 2.81Å; I211-F235 HydrophobicContact CB-CE1 4.11Å; I211-F235 HydrophobicContact CB-CZ 4.32Å; I211-F235 HydrophobicContact CD1-CD1 3.34Å; I211-F235 HydrophobicContact CD1-CD2 4.44Å; I211-F235 HydrophobicContact CD1-CE1 3.38Å; I211-F235 HydrophobicContact CD1-CE2 4.45Å; I211-F235 HydrophobicContact CD1-CG 3.92Å; I211-F235 HydrophobicContact CD1-CZ 3.95Å; I211-F235 HydrophobicContact CG1-CD1 3.87Å; I211-F235 HydrophobicContact CG1-CE1 3.45Å; I211-F235 VanDerWaalsContact CG1-CE1 3.45Å; I211-F235 HydrophobicContact CG1-CZ 4.1Å; I211-I236 HydrophobicContact CD1-CG1 4.34Å; I211-L239 HydrophobicContact CD1-CB 4.31Å; I211-L239 HydrophobicContact CD1-CD2 4.4Å; I211-L239 HydrophobicContact CG2-CD1 3.88Å; I211-L239 HydrophobicContact CG2-CD2 3.5Å; I211-L239 VanDerWaalsContact CG2-CD2 3.5Å; I211-L239 HydrophobicContact CG2-CG 4.16Å
212D91.7Very high89.3Confident1 Ų140.9 Ų40.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.9116164.6-165.3-30.4000109.9P150 F151 F214 M217 S278 F280P150-D212 CarbonylContact C-O 3.45Å; P150-D212 VanDerWaalsContact CA-O 3.28Å; P150-D212 WeakPolarHBondContact CA-O 3.49Å; P150-D212 WeakPolarHBondContact CB-O 3.34Å; F151-D212 HydrophobicContact CB-CB 4.35Å; F151-D212 PolarHBondContact N-O 2.91Å; F151-D212 PolarHBondContact O-N 2.93Å; D212-F214 VanDerWaalsContact C-N 3.35Å; D212-F214 WeakPolarHBondContact OD1-CA 3.42Å; D212-F214 PolarHBondContact OD1-N 2.92Å; D212-M217 HydrophobicContact CB-CG 3.79Å; D212-M217 VanDerWaalsContact CG-CG 3.43Å; D212-M217 VanDerWaalsContact OD2-CG 3.23Å; D212-M217 WeakPolarHBondContact OD2-CG 3.38Å; D212-S278 WeakPolarHBondContact OD1-CB 3.5Å; D212-S278 PolarHBondContact OD1-OG 2.92Å; D212-S278 PolarHBondContact OD2-OG 3.44Å; D212-F280 HydrophobicContact CB-CD2 4.23Å; D212-F280 VanDerWaalsContact OD2-CB 3.29Å; D212-F280 WeakPolarHBondContact OD2-CB 3.3Å; D212-F280 VanDerWaalsContact OD2-CD2 3.22Å; D212-F280 WeakPolarHBondContact OD2-CD2 3.47Å; D212-F280 PolarHBondContact OD2-N 2.9Å
213S90.3Very high89.2Confident32 Ų3240 Ų4022%0.22422%0.219CC..  trans-893.1179.464.60000114.5R215 H216S213-R215 PolarHBondContact O-N 3.47Å; S213-R215 PolarHBondContact OG-N 3.02Å; S213-H216 PolarHBondContact N-O 3.25Å; S213-H216 PolarHBondContact OG-N 3.31Å; S213-H216 PolarHBondContact OG-O 2.96Å
214F85.2Confident89Confident22 Ų2241.9 Ų41.910%0.09623%0.232CC..SBendtrans62.25.6-164.5-53.6-54.2000115.7T145 R149 F151 D212 S278 F280 V281 K284T145-F214 HydrophobicContact CG2-CE1 3.7Å; T145-F214 HydrophobicContact CG2-CZ 3.93Å; R149-F214 WeakPolarHBondContact O-CE2 3.43Å; F151-F214 AromaticContact CD1-CZ 3.98Å; F151-F214 HydrophobicContact CD1-CZ 3.98Å; F151-F214 HydrophobicContact CD2-CE1 4.19Å; F151-F214 HydrophobicContact CD2-CZ 4.31Å; F151-F214 HydrophobicContact CE1-CE1 4.43Å; F151-F214 AromaticContact CE1-CZ 3.67Å; F151-F214 HydrophobicContact CE1-CZ 3.67Å; F151-F214 AromaticContact CE2-CE1 3.97Å; F151-F214 HydrophobicContact CE2-CE1 3.97Å; F151-F214 HydrophobicContact CE2-CZ 4.02Å; F151-F214 HydrophobicContact CG-CZ 4.32Å; F151-F214 HydrophobicContact CZ-CE1 4.11Å; F151-F214 AromaticContact CZ-CZ 3.71Å; F151-F214 HydrophobicContact CZ-CZ 3.71Å; D212-F214 VanDerWaalsContact C-N 3.35Å; D212-F214 WeakPolarHBondContact OD1-CA 3.42Å; D212-F214 PolarHBondContact OD1-N 2.92Å; F214-S278 VanDerWaalsContact C-CB 3.48Å; F214-S278 WeakPolarHBondContact CA-OG 3.2Å; F214-F280 HydrophobicContact CE1-CB 4.32Å; F214-V281 HydrophobicContact CB-CB 4.4Å; F214-V281 HydrophobicContact CB-CG2 4.26Å; F214-V281 WeakPolarHBondContact O-CG2 3.33Å; F214-K284 VanDerWaalsContact CG-CE 3.45Å
215R84.4Confident88.9Confident200 Ų20039.2 Ų39.276%0.75520%0.204SC*.SBendtrans-116.5-59.3167.4-66.4-174.1178.8-159.6-0.6109.6S213 S278S213-R215 PolarHBondContact O-N 3.47Å; S213-R215 PolarHBondContact OG-N 3.02Å; R215-S278 WeakPolarHBondContact O-CB 3.25Å; R215-S278 PolarHBondContact O-N 3.34Å
216H85.8Confident88.8Confident29 Ų2936.5 Ų36.513%0.13419%0.19CC..EExtended strand (participates in β ladder)trans-126.5150.9175.5-55.593.7000110.9S213 Y218 H245 A276 D277S213-H216 PolarHBondContact N-O 3.25Å; S213-H216 PolarHBondContact OG-N 3.31Å; S213-H216 PolarHBondContact OG-O 2.96Å; H216-Y218 HydrophobicContact CB-CE1 4.19Å; H216-Y218 HydrophobicContact CB-CE2 3.99Å; H216-H245 AromaticContact CE1-CE1 3.33Å; H216-H245 PolarHBondContact CE1-CE1 2.9Å; H216-H245 AromaticContact CE1-ND1 3.49Å; H216-H245 PolarHBondContact CE1-ND1 2.73Å; H216-H245 AromaticContact ND1-CE1 3.75Å; H216-H245 AromaticContact ND1-ND1 3.44Å; H216-H245 PolarHBondContact ND1-ND1 2.92Å; H216-A276 CarbonylContact C-O 3.54Å; H216-A276 WeakPolarHBondContact CA-O 3.19Å; H216-A276 WeakPolarHBondContact CB-O 3.12Å; H216-D277 IonicContact CD2-OD1 3.89Å
217M88.6Confident88.5Confident0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-96.5131.9166-73.1173.578.200109.9L199 I211 D212 A275 A276 V279 F280L199-M217 HydrophobicContact CD1-CE 3.54Å; L199-M217 HydrophobicContact CD2-CB 3.64Å; L199-M217 HydrophobicContact CD2-CE 4.3Å; L199-M217 HydrophobicContact CG-CB 4.42Å; L199-M217 HydrophobicContact CG-CE 3.86Å; L199-M217 HydrophobicContact CG-SD 4.42Å; I211-M217 CarbonylContact O-C 3.46Å; I211-M217 WeakPolarHBondContact O-CA 3.37Å; D212-M217 HydrophobicContact CB-CG 3.79Å; D212-M217 VanDerWaalsContact CG-CG 3.43Å; D212-M217 VanDerWaalsContact OD2-CG 3.23Å; D212-M217 WeakPolarHBondContact OD2-CG 3.38Å; M217-A275 CarbonylContact O-C 3.16Å; M217-A275 WeakPolarHBondContact O-CA 3.43Å; M217-A275 WeakPolarHBondContact O-CB 3.16Å; M217-A276 PolarHBondContact N-O 3.37Å; M217-A276 PolarHBondContact O-N 3.46Å; M217-V279 HydrophobicContact SD-CB 4.11Å; M217-V279 HydrophobicContact SD-CG2 3.98Å; M217-F280 HydrophobicContact CE-CD2 4.16Å; M217-F280 HydrophobicContact CE-CE2 3.92Å; M217-F280 HydrophobicContact SD-CD2 4.31Å
218Y90.5Very high88.2Confident5 Ų540.8 Ų40.82%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-116.1131.1178.4-56.8-78.4000109.9A210 I211 H216 L239 L244 H245 F248 A275A210-Y218 CarbonylContact C-O 3.59Å; A210-Y218 VanDerWaalsContact CA-O 3.23Å; A210-Y218 WeakPolarHBondContact CA-O 3.46Å; I211-Y218 HydrophobicContact CG2-CD2 4.3Å; I211-Y218 PolarHBondContact N-O 3.41Å; I211-Y218 PolarHBondContact O-N 2.81Å; H216-Y218 HydrophobicContact CB-CE1 4.19Å; H216-Y218 HydrophobicContact CB-CE2 3.99Å; Y218-L239 HydrophobicContact CD2-CD1 3.93Å; Y218-L239 HydrophobicContact CE2-CD1 3.7Å; Y218-L244 HydrophobicContact CD1-CB 3.68Å; Y218-L244 HydrophobicContact CD1-CD1 4.41Å; Y218-L244 HydrophobicContact CD2-CB 4.21Å; Y218-L244 HydrophobicContact CD2-CD1 3.95Å; Y218-L244 HydrophobicContact CE1-CB 3.69Å; Y218-L244 WeakPolarHBondContact CE1-O 3.3Å; Y218-L244 HydrophobicContact CE2-CB 4.21Å; Y218-L244 HydrophobicContact CG-CB 3.95Å; Y218-L244 HydrophobicContact CG-CD1 3.86Å; Y218-L244 HydrophobicContact CG-CG 4.47Å; Y218-H245 WeakPolarHBondContact OH-CA 3.39Å; Y218-H245 VanDerWaalsContact OH-CB 3.27Å; Y218-H245 WeakPolarHBondContact OH-CB 3.28Å; Y218-F248 HydrophobicContact CE1-CB 4.49Å; Y218-A275 HydrophobicContact CD1-CB 3.54Å; Y218-A275 HydrophobicContact CE1-CB 3.76Å; Y218-A275 HydrophobicContact CG-CB 4.46Å
219L90.8Very high87.8Confident14 Ų1445 Ų457%0.07325%0.245CC..EExtended strand (participates in β ladder)trans-83.1139.3175-78.5164.3000111.4L199 K201 A210 P274L199-L219 HydrophobicContact CB-CD1 4.4Å; L199-L219 HydrophobicContact CD1-CD2 3.92Å; L199-L219 HydrophobicContact CD1-CG 4.39Å; L199-L219 HydrophobicContact CD2-CD1 4.34Å; L199-L219 HydrophobicContact CD2-CD2 4.41Å; L199-L219 HydrophobicContact CD2-CG 3.96Å; K201-L219 HydrophobicContact CG-CD1 4.26Å; K201-L219 HydrophobicContact CG-CD2 4.48Å; A210-L219 HydrophobicContact CB-CD2 4.4Å; L219-P274 HydrophobicContact CB-CG 4.17Å; L219-P274 HydrophobicContact CD1-CB 4.14Å; L219-P274 HydrophobicContact CD1-CG 4.13Å; L219-P274 PolarHBondContact N-O 2.92Å
220F91.4Very high87.5Confident20 Ų2046.5 Ų46.59%0.08826%0.261CS..  trans-72.3135.6168.7-168.7-118.3000109.8L209 S222 D225 K231 F235L209-F220 HydrophobicContact CB-CB 3.83Å; L209-F220 HydrophobicContact CB-CD1 4.43Å; L209-F220 HydrophobicContact CB-CG 4.39Å; L209-F220 HydrophobicContact CD2-CB 4.02Å; L209-F220 HydrophobicContact CD2-CD1 3.97Å; L209-F220 HydrophobicContact CD2-CD2 4.31Å; L209-F220 HydrophobicContact CD2-CE1 4.49Å; L209-F220 HydrophobicContact CD2-CG 3.85Å; L209-F220 HydrophobicContact CG-CB 4.13Å; L209-F220 HydrophobicContact CG-CG 4.5Å; L209-F220 VanDerWaalsContact O-CB 3.25Å; L209-F220 WeakPolarHBondContact O-CB 3.21Å; L209-F220 PolarHBondContact O-N 3.23Å; F220-S222 VanDerWaalsContact CD1-O 3.22Å; F220-S222 WeakPolarHBondContact CD1-O 3.26Å; F220-S222 WeakPolarHBondContact CE1-O 3.37Å; F220-S222 PolarHBondContact O-N 3.14Å; F220-D225 HydrophobicContact CE1-CB 3.98Å; F220-D225 HydrophobicContact CZ-CB 4.14Å; F220-K231 HydrophobicContact CZ-CB 4.33Å; F220-F235 HydrophobicContact CB-CD1 4.42Å; F220-F235 HydrophobicContact CB-CE1 3.95Å; F220-F235 HydrophobicContact CB-CZ 4.26Å; F220-F235 HydrophobicContact CD2-CB 4.01Å; F220-F235 AromaticContact CD2-CD1 3.51Å; F220-F235 HydrophobicContact CD2-CD1 3.51Å; F220-F235 HydrophobicContact CD2-CD2 4.12Å; F220-F235 AromaticContact CD2-CE1 3.88Å; F220-F235 HydrophobicContact CD2-CE1 3.88Å; F220-F235 HydrophobicContact CD2-CE2 4.47Å; F220-F235 AromaticContact CD2-CG 3.64Å; F220-F235 HydrophobicContact CD2-CG 3.64Å; F220-F235 HydrophobicContact CD2-CZ 4.36Å; F220-F235 HydrophobicContact CE2-CB 3.92Å; F220-F235 HydrophobicContact CE2-CD1 4.22Å; F220-F235 HydrophobicContact CE2-CG 4.08Å; F220-F235 HydrophobicContact CG-CD1 4.37Å; F220-F235 HydrophobicContact CG-CE1 4.39Å
221P84.5Confident87.3Confident113 Ų11350.8 Ų50.873%0.73428%0.28SS*.SBendtrans-59.7-39.5-170.2-26.634.5000115.2
222S85Confident87.1Confident41 Ų4150.8 Ų50.829%0.28728%0.28SS..  trans-154.8124.1-178.3178.20000110.5F220 N224 D225F220-S222 VanDerWaalsContact CD1-O 3.22Å; F220-S222 WeakPolarHBondContact CD1-O 3.26Å; F220-S222 WeakPolarHBondContact CE1-O 3.37Å; F220-S222 PolarHBondContact O-N 3.14Å; S222-N224 PolarHBondContact O-N 3.33Å; S222-N224 PolarHBondContact OG-N 3.09Å; S222-D225 WeakPolarHBondContact O-CB 3.22Å; S222-D225 PolarHBondContact O-N 3.17Å; S222-D225 VanDerWaalsContact O-N 3.1Å
223I85.9Confident87.1Confident39 Ų3954.5 Ų54.520%0.229%0.294CS..G310 helixtrans-63.2-24.8178.7-166.261.4000112.7L154 I163 P207 L209 D225 L226L154-I223 HydrophobicContact CD1-CD1 4.02Å; I163-I223 HydrophobicContact CD1-CD1 4.31Å; I163-I223 HydrophobicContact CD1-CG1 3.88Å; P207-I223 HydrophobicContact CG-CG1 4.25Å; L209-I223 HydrophobicContact CB-CD1 4.04Å; I223-D225 PolarHBondContact O-N 3.16Å; I223-L226 WeakPolarHBondContact O-CB 2.92Å; I223-L226 PolarHBondContact O-N 2.97Å; I223-L226 VanDerWaalsContact O-N 3.11Å
224N84Confident87.1Confident127 Ų12757.5 Ų57.568%0.67930%0.304SS*.G310 helixtrans-66.3-24177.9-62.4-30.6000112.3S222 L226S222-N224 PolarHBondContact O-N 3.33Å; S222-N224 PolarHBondContact OG-N 3.09Å; N224-L226 PolarHBondContact O-N 3.19Å
225D85.6Confident87.4Confident38 Ų3856.9 Ų56.920%0.20330%0.301CS..G310 helixtrans-77.7-0.9177.2-77.1-38.2000113.2F220 S222 I223 T227 V228 K231F220-D225 HydrophobicContact CE1-CB 3.98Å; F220-D225 HydrophobicContact CZ-CB 4.14Å; S222-D225 WeakPolarHBondContact O-CB 3.22Å; S222-D225 PolarHBondContact O-N 3.17Å; S222-D225 VanDerWaalsContact O-N 3.1Å; I223-D225 PolarHBondContact O-N 3.16Å; D225-T227 VanDerWaalsContact C-N 3.27Å; D225-T227 PolarHBondContact O-N 2.03Å; D225-V228 WeakPolarHBondContact O-CB 2.96Å; D225-V228 PolarHBondContact O-N 2.98Å; D225-V228 VanDerWaalsContact O-N 3.08Å; D225-K231 HydrophobicContact CB-CD 3.59Å; D225-K231 IonicContact OD1-NZ 3.52Å; D225-K231 PolarHBondContact OD1-NZ 3.35Å; D225-K231 IonicContact OD2-NZ 2.8Å; D225-K231 PolarHBondContact OD2-NZ 3.42Å
226L84.8Confident87.7Confident6 Ų647.4 Ų47.43%0.03127%0.266CS..G310 helixtrans-59.6-40-179.8-170.573.6000111.8Y167 E170 L209 I223 N224 V228 L232Y167-L226 HydrophobicContact CD2-CD1 3.96Å; Y167-L226 HydrophobicContact CD2-CD2 4.21Å; Y167-L226 HydrophobicContact CE2-CD1 4.47Å; E170-L226 WeakPolarHBondContact CG-O 3.36Å; L209-L226 HydrophobicContact CD2-CD1 4.04Å; I223-L226 WeakPolarHBondContact O-CB 2.92Å; I223-L226 PolarHBondContact O-N 2.97Å; I223-L226 VanDerWaalsContact O-N 3.11Å; N224-L226 PolarHBondContact O-N 3.19Å; L226-V228 VanDerWaalsContact C-N 3.25Å; L226-V228 PolarHBondContact O-N 3.13Å; L226-L232 HydrophobicContact CD1-CD1 3.95Å; L226-L232 HydrophobicContact CD1-CD2 4.09Å
227T84.8Confident88Confident88 Ų8848.8 Ų48.854%0.5427%0.274SS..G310 helixtrans-78.5-8.6179.455.10000113.3T166 D225 P229T166-T227 HydrophobicContact CG2-CG2 4.44Å; D225-T227 VanDerWaalsContact C-N 3.27Å; D225-T227 PolarHBondContact O-N 2.03Å; T227-P229 WeakPolarHBondContact O-CD 3.26Å
228V86.8Confident88.1Confident56 Ų5649.7 Ų49.734%0.33928%0.278SS..SBendtrans-79.6118.1179.3-178.90000108.6D225 L226 G230 K231D225-V228 WeakPolarHBondContact O-CB 2.96Å; D225-V228 PolarHBondContact O-N 2.98Å; D225-V228 VanDerWaalsContact O-N 3.08Å; L226-V228 VanDerWaalsContact C-N 3.25Å; L226-V228 PolarHBondContact O-N 3.13Å; V228-G230 PolarHBondContact O-N 3.46Å; V228-K231 HydrophobicContact CB-CD 4.22Å; V228-K231 HydrophobicContact CB-CG 4.43Å; V228-K231 HydrophobicContact CG1-CD 4.18Å; V228-K231 HydrophobicContact CG1-CG 4.18Å; V228-K231 PolarHBondContact O-N 2.95Å
229P83.6Confident88.1Confident108 Ų10850.7 Ų50.770%0.70128%0.284SS*.THydrogen-bonded Turntrans-61.4132.1-176.923.1-31.6000111.2T227 K231T227-P229 WeakPolarHBondContact O-CD 3.26Å; P229-K231 PolarHBondContact O-N 3.34Å
230G86.6Confident88Confident35 Ų3554.7 Ų54.736%0.36130%0.302SS..THydrogen-bonded Turntrans92.4-23.8174.700000115.3V228 R233 Q234V228-G230 PolarHBondContact O-N 3.46Å; G230-R233 PolarHBondContact O-N 3.27Å; G230-Q234 WeakPolarHBondContact O-CB 2.9Å; G230-Q234 PolarHBondContact O-N 2.88Å
231K89.5Confident87.9Confident92 Ų9257.8 Ų57.840%0.433%0.327SS..Hα-helixtrans-65.6-44.2179.3-82.8-166.8170.4-179.80112.5F220 D225 V228 P229 R233 Q234 F235F220-K231 HydrophobicContact CZ-CB 4.33Å; D225-K231 HydrophobicContact CB-CD 3.59Å; D225-K231 IonicContact OD1-NZ 3.52Å; D225-K231 PolarHBondContact OD1-NZ 3.35Å; D225-K231 IonicContact OD2-NZ 2.8Å; D225-K231 PolarHBondContact OD2-NZ 3.42Å; V228-K231 HydrophobicContact CB-CD 4.22Å; V228-K231 HydrophobicContact CB-CG 4.43Å; V228-K231 HydrophobicContact CG1-CD 4.18Å; V228-K231 HydrophobicContact CG1-CG 4.18Å; V228-K231 PolarHBondContact O-N 2.95Å; P229-K231 PolarHBondContact O-N 3.34Å; K231-R233 VanDerWaalsContact C-N 3.34Å; K231-R233 PolarHBondContact O-N 3.27Å; K231-Q234 PolarHBondContact O-N 3.4Å; K231-F235 PolarHBondContact O-N 3.44Å
232L89.3Confident88Confident0 Ų054 Ų540%031%0.308CS..Hα-helixtrans-63-42.8177.4-170.165.9000111.4L152 V171 L175 L209 L226 F235 I236L152-L232 HydrophobicContact CD2-CD1 4.15Å; V171-L232 HydrophobicContact CG2-CD2 4.38Å; L175-L232 HydrophobicContact CD1-CD2 3.49Å; L175-L232 VanDerWaalsContact CD1-CD2 3.49Å; L175-L232 HydrophobicContact CD1-CG 3.82Å; L175-L232 HydrophobicContact CG-CD2 4.28Å; L209-L232 HydrophobicContact CD2-CD1 3.38Å; L226-L232 HydrophobicContact CD1-CD1 3.95Å; L226-L232 HydrophobicContact CD1-CD2 4.09Å; L232-F235 WeakPolarHBondContact O-CB 3.32Å; L232-F235 PolarHBondContact O-N 2.87Å; L232-I236 PolarHBondContact O-N 3.07Å
233R91.1Very high88.1Confident80 Ų8055.4 Ų55.430%0.30231%0.309SS..Hα-helixtrans-61.6-45.9174.3-173.4-179.3-177.281.13111.7Q174 L175 D177 L178 G230 K231 F235 I236 L237Q174-R233 PolarHBondContact O-NH1 2.92Å; L175-R233 HydrophobicContact CD2-CB 3.91Å; L175-R233 HydrophobicContact CD2-CG 4.25Å; D177-R233 IonicContact OD1-NH1 2.79Å; D177-R233 PolarHBondContact OD1-NH1 3.47Å; D177-R233 IonicContact OD2-CZ 3.11Å; D177-R233 VanDerWaalsContact OD2-CZ 3.24Å; D177-R233 IonicContact OD2-NH1 2.77Å; D177-R233 PolarHBondContact OD2-NH1 3.44Å; D177-R233 IonicContact OD2-NH2 3.24Å; D177-R233 PolarHBondContact OD2-NH2 3.15Å; L178-R233 HydrophobicContact CD1-CG 4.35Å; G230-R233 PolarHBondContact O-N 3.27Å; K231-R233 VanDerWaalsContact C-N 3.34Å; K231-R233 PolarHBondContact O-N 3.27Å; R233-F235 PolarHBondContact O-N 3.42Å; R233-I236 PolarHBondContact O-N 3.14Å; R233-I236 VanDerWaalsContact O-N 3.17Å; R233-L237 HydrophobicContact CG-CD1 4.14Å; R233-L237 HydrophobicContact CG-CG 4.48Å; R233-L237 WeakPolarHBondContact O-CG 3.34Å; R233-L237 PolarHBondContact O-N 3.33Å
234Q91.4Very high88.1Confident94 Ų9453.8 Ų53.844%0.43930%0.3SS..Hα-helixtrans-60.3-37.5178.6-169.662.443.300111.4G230 K231 I236 L237 D238G230-Q234 WeakPolarHBondContact O-CB 2.9Å; G230-Q234 PolarHBondContact O-N 2.88Å; K231-Q234 PolarHBondContact O-N 3.4Å; Q234-I236 VanDerWaalsContact C-N 3.31Å; Q234-I236 PolarHBondContact O-N 3.4Å; Q234-L237 PolarHBondContact O-N 3.2Å; Q234-D238 PolarHBondContact NE2-OD1 2.93Å; Q234-D238 VanDerWaalsContact O-CB 3.29Å; Q234-D238 WeakPolarHBondContact O-CB 3.48Å; Q234-D238 PolarHBondContact O-N 2.95Å
235F91.5Very high87.9Confident10 Ų1051.5 Ų51.54%0.04429%0.286CS..Hα-helixtrans-61.6-39177.5-171.4-133.9000112.7L152 I211 F220 K231 L232 R233 L239 L244L152-F235 HydrophobicContact CD1-CD1 4.31Å; L152-F235 HydrophobicContact CD1-CE1 4.35Å; I211-F235 HydrophobicContact CB-CE1 4.11Å; I211-F235 HydrophobicContact CB-CZ 4.32Å; I211-F235 HydrophobicContact CD1-CD1 3.34Å; I211-F235 HydrophobicContact CD1-CD2 4.44Å; I211-F235 HydrophobicContact CD1-CE1 3.38Å; I211-F235 HydrophobicContact CD1-CE2 4.45Å; I211-F235 HydrophobicContact CD1-CG 3.92Å; I211-F235 HydrophobicContact CD1-CZ 3.95Å; I211-F235 HydrophobicContact CG1-CD1 3.87Å; I211-F235 HydrophobicContact CG1-CE1 3.45Å; I211-F235 VanDerWaalsContact CG1-CE1 3.45Å; I211-F235 HydrophobicContact CG1-CZ 4.1Å; F220-F235 HydrophobicContact CB-CD1 4.42Å; F220-F235 HydrophobicContact CB-CE1 3.95Å; F220-F235 HydrophobicContact CB-CZ 4.26Å; F220-F235 HydrophobicContact CD2-CB 4.01Å; F220-F235 AromaticContact CD2-CD1 3.51Å; F220-F235 HydrophobicContact CD2-CD1 3.51Å; F220-F235 HydrophobicContact CD2-CD2 4.12Å; F220-F235 AromaticContact CD2-CE1 3.88Å; F220-F235 HydrophobicContact CD2-CE1 3.88Å; F220-F235 HydrophobicContact CD2-CE2 4.47Å; F220-F235 AromaticContact CD2-CG 3.64Å; F220-F235 HydrophobicContact CD2-CG 3.64Å; F220-F235 HydrophobicContact CD2-CZ 4.36Å; F220-F235 HydrophobicContact CE2-CB 3.92Å; F220-F235 HydrophobicContact CE2-CD1 4.22Å; F220-F235 HydrophobicContact CE2-CG 4.08Å; F220-F235 HydrophobicContact CG-CD1 4.37Å; F220-F235 HydrophobicContact CG-CE1 4.39Å; K231-F235 PolarHBondContact O-N 3.44Å; L232-F235 WeakPolarHBondContact O-CB 3.32Å; L232-F235 PolarHBondContact O-N 2.87Å; R233-F235 PolarHBondContact O-N 3.42Å; F235-L239 PolarHBondContact O-N 3.47Å; F235-L239 VanDerWaalsContact O-N 3.14Å; F235-L244 HydrophobicContact CD2-CD1 4.02Å; F235-L244 HydrophobicContact CD2-CD2 4.05Å; F235-L244 HydrophobicContact CE2-CD1 3.72Å; F235-L244 HydrophobicContact CE2-CD2 3.87Å; F235-L244 HydrophobicContact CE2-CG 4.48Å; F235-L244 HydrophobicContact CZ-CD1 4.4Å
236I91Very high87.8Confident0 Ų056.3 Ų56.30%030%0.301CS..Hα-helixtrans-70.6-40.9174.5-63.6173.6000111.4L152 L175 L178 V182 F184 I211 L232 R233 Q234 D238 L239 Q240L152-I236 HydrophobicContact CD2-CD1 4.16Å; L175-I236 HydrophobicContact CD1-CD1 3.67Å; L175-I236 HydrophobicContact CD2-CD1 3.86Å; L175-I236 HydrophobicContact CG-CD1 4.36Å; L178-I236 HydrophobicContact CD1-CB 4.49Å; L178-I236 HydrophobicContact CD1-CD1 4.36Å; L178-I236 HydrophobicContact CD1-CG2 4.11Å; V182-I236 HydrophobicContact CG2-CG2 3.67Å; F184-I236 HydrophobicContact CE1-CD1 3.94Å; I211-I236 HydrophobicContact CD1-CG1 4.34Å; L232-I236 PolarHBondContact O-N 3.07Å; R233-I236 PolarHBondContact O-N 3.14Å; R233-I236 VanDerWaalsContact O-N 3.17Å; Q234-I236 VanDerWaalsContact C-N 3.31Å; Q234-I236 PolarHBondContact O-N 3.4Å; I236-D238 VanDerWaalsContact C-N 3.3Å; I236-D238 PolarHBondContact O-N 2.83Å; I236-L239 WeakPolarHBondContact O-CB 3.37Å; I236-L239 PolarHBondContact O-N 3.13Å; I236-Q240 WeakPolarHBondContact O-CG 3.29Å; I236-Q240 PolarHBondContact O-N 3.44Å
237L91.5Very high87.6Confident58 Ų5857.5 Ų57.530%0.30431%0.307SS..Hα-helixtrans-65.5-35.4176.5-66.1174000111.8R233 Q234 L239 Q240 S241R233-L237 HydrophobicContact CG-CD1 4.14Å; R233-L237 HydrophobicContact CG-CG 4.48Å; R233-L237 WeakPolarHBondContact O-CG 3.34Å; R233-L237 PolarHBondContact O-N 3.33Å; Q234-L237 PolarHBondContact O-N 3.2Å; L237-L239 VanDerWaalsContact C-N 3.29Å; L237-L239 PolarHBondContact O-N 3.12Å; L237-Q240 PolarHBondContact O-N 3.16Å; L237-S241 WeakPolarHBondContact O-CB 3.44Å; L237-S241 PolarHBondContact O-N 2.88Å; L237-S241 PolarHBondContact O-OG 3.04Å
238D91.1Very high87Confident19 Ų1955.5 Ų55.510%0.10229%0.291CS..Hα-helixtrans-66.8-32.1175-75.3-1.5000111.2Q234 I236 S241 G242 K243 L244Q234-D238 PolarHBondContact NE2-OD1 2.93Å; Q234-D238 VanDerWaalsContact O-CB 3.29Å; Q234-D238 WeakPolarHBondContact O-CB 3.48Å; Q234-D238 PolarHBondContact O-N 2.95Å; I236-D238 VanDerWaalsContact C-N 3.3Å; I236-D238 PolarHBondContact O-N 2.83Å; D238-S241 WeakPolarHBondContact CA-OG 3.49Å; D238-S241 PolarHBondContact O-OG 2.9Å; D238-G242 PolarHBondContact O-N 3.08Å; D238-K243 HydrophobicContact CB-CB 4.32Å; D238-K243 HydrophobicContact CB-CD 4.36Å; D238-K243 PolarHBondContact O-N 3.31Å; D238-K243 IonicContact OD1-NZ 2.71Å; D238-K243 IonicContact OD2-NZ 2.78Å; D238-K243 PolarHBondContact OD2-NZ 3.24Å; D238-L244 HydrophobicContact CB-CD2 3.96Å; D238-L244 HydrophobicContact CB-CG 3.89Å; D238-L244 PolarHBondContact O-N 3.13Å
239L89.6Confident86.5Confident26 Ų2657.8 Ų57.814%0.13630%0.298CS..Hα-helixtrans-65.8-52.9169.1178.371.5000111P150 I211 Y218 F235 I236 L237 S241 G242 L244P150-L239 HydrophobicContact CB-CD2 3.86Å; P150-L239 HydrophobicContact CG-CD2 3.97Å; I211-L239 HydrophobicContact CD1-CB 4.31Å; I211-L239 HydrophobicContact CD1-CD2 4.4Å; I211-L239 HydrophobicContact CG2-CD1 3.88Å; I211-L239 HydrophobicContact CG2-CD2 3.5Å; I211-L239 VanDerWaalsContact CG2-CD2 3.5Å; I211-L239 HydrophobicContact CG2-CG 4.16Å; Y218-L239 HydrophobicContact CD2-CD1 3.93Å; Y218-L239 HydrophobicContact CE2-CD1 3.7Å; F235-L239 PolarHBondContact O-N 3.47Å; F235-L239 VanDerWaalsContact O-N 3.14Å; I236-L239 WeakPolarHBondContact O-CB 3.37Å; I236-L239 PolarHBondContact O-N 3.13Å; L237-L239 VanDerWaalsContact C-N 3.29Å; L237-L239 PolarHBondContact O-N 3.12Å; L239-S241 VanDerWaalsContact C-N 3.29Å; L239-S241 PolarHBondContact O-N 2.78Å; L239-G242 PolarHBondContact O-N 2.93Å; L239-L244 HydrophobicContact CB-CD1 3.85Å; L239-L244 HydrophobicContact CD1-CD1 4.29Å
240Q88.3Confident85.7Confident99 Ų9956.8 Ų56.846%0.46329%0.287SS..Hα-helixtrans-64.1-34.4-175.2-71.4179.4-26.200112.8I236 L237 G242I236-Q240 WeakPolarHBondContact O-CG 3.29Å; I236-Q240 PolarHBondContact O-N 3.44Å; L237-Q240 PolarHBondContact O-N 3.16Å; Q240-G242 PolarHBondContact O-N 3.09Å
241S91Very high84Confident85 Ų8559 Ų5959%0.59429%0.293SS*.THydrogen-bonded Turntrans-76.3-7.2174.560.60000113.8L237 D238 L239 K243L237-S241 WeakPolarHBondContact O-CB 3.44Å; L237-S241 PolarHBondContact O-N 2.88Å; L237-S241 PolarHBondContact O-OG 3.04Å; D238-S241 WeakPolarHBondContact CA-OG 3.49Å; D238-S241 PolarHBondContact O-OG 2.9Å; L239-S241 VanDerWaalsContact C-N 3.29Å; L239-S241 PolarHBondContact O-N 2.78Å; S241-K243 PolarHBondContact O-N 3.2Å
242G85.9Confident82Confident33 Ų3357.5 Ų57.534%0.3429%0.293SS..THydrogen-bonded Turntrans735.8-175.200000114.1D238 L239 Q240 L244 H245 R246D238-G242 PolarHBondContact O-N 3.08Å; L239-G242 PolarHBondContact O-N 2.93Å; Q240-G242 PolarHBondContact O-N 3.09Å; G242-L244 VanDerWaalsContact C-N 3.33Å; G242-L244 PolarHBondContact O-N 2.88Å; G242-H245 PolarHBondContact O-N 2.68Å; G242-R246 PolarHBondContact O-N 2.61Å
243K87.7Confident79.5Confident70 Ų7063.1 Ų63.130%0.30433%0.329SS..Hα-helixtrans-59.4-42.3179.1175.9179162.6-145.70111.6D238 S241 H245 R246 D247D238-K243 HydrophobicContact CB-CB 4.32Å; D238-K243 HydrophobicContact CB-CD 4.36Å; D238-K243 PolarHBondContact O-N 3.31Å; D238-K243 IonicContact OD1-NZ 2.71Å; D238-K243 IonicContact OD2-NZ 2.78Å; D238-K243 PolarHBondContact OD2-NZ 3.24Å; S241-K243 PolarHBondContact O-N 3.2Å; K243-H245 VanDerWaalsContact C-N 3.29Å; K243-H245 PolarHBondContact O-N 3.36Å; K243-R246 PolarHBondContact O-N 3.45Å; K243-R246 VanDerWaalsContact O-N 3.16Å; K243-D247 WeakPolarHBondContact CE-OD2 3.41Å; K243-D247 VanDerWaalsContact CG-OD2 3.31Å; K243-D247 WeakPolarHBondContact CG-OD2 3.41Å; K243-D247 WeakPolarHBondContact O-CB 3.48Å; K243-D247 PolarHBondContact O-N 2.86Å
244L84.2Confident77Confident5 Ų564.2 Ų64.23%0.02635%0.349CS..Hα-helixtrans-59.3-40.6177.6-63.9179.4000112.3Y218 F235 D238 L239 G242 F248 T273Y218-L244 HydrophobicContact CD1-CB 3.68Å; Y218-L244 HydrophobicContact CD1-CD1 4.41Å; Y218-L244 HydrophobicContact CD2-CB 4.21Å; Y218-L244 HydrophobicContact CD2-CD1 3.95Å; Y218-L244 HydrophobicContact CE1-CB 3.69Å; Y218-L244 WeakPolarHBondContact CE1-O 3.3Å; Y218-L244 HydrophobicContact CE2-CB 4.21Å; Y218-L244 HydrophobicContact CG-CB 3.95Å; Y218-L244 HydrophobicContact CG-CD1 3.86Å; Y218-L244 HydrophobicContact CG-CG 4.47Å; F235-L244 HydrophobicContact CD2-CD1 4.02Å; F235-L244 HydrophobicContact CD2-CD2 4.05Å; F235-L244 HydrophobicContact CE2-CD1 3.72Å; F235-L244 HydrophobicContact CE2-CD2 3.87Å; F235-L244 HydrophobicContact CE2-CG 4.48Å; F235-L244 HydrophobicContact CZ-CD1 4.4Å; D238-L244 HydrophobicContact CB-CD2 3.96Å; D238-L244 HydrophobicContact CB-CG 3.89Å; D238-L244 PolarHBondContact O-N 3.13Å; L239-L244 HydrophobicContact CB-CD1 3.85Å; L239-L244 HydrophobicContact CD1-CD1 4.29Å; G242-L244 VanDerWaalsContact C-N 3.33Å; G242-L244 PolarHBondContact O-N 2.88Å; L244-F248 WeakPolarHBondContact O-CB 3.48Å; L244-F248 PolarHBondContact O-N 3.24Å; L244-F248 VanDerWaalsContact O-N 3.1Å; L244-T273 HydrophobicContact CD2-CG2 3.96Å; L244-T273 PolarHBondContact O-OG1 3.23Å
245H80.4Confident74.5Confident79 Ų7965.6 Ų65.637%0.36636%0.364SS..Hα-helixtrans-68.5-41.4176.8-174.160.4000111.8H216 Y218 G242 K243 F248 H249H216-H245 AromaticContact CE1-CE1 3.33Å; H216-H245 PolarHBondContact CE1-CE1 2.9Å; H216-H245 AromaticContact CE1-ND1 3.49Å; H216-H245 PolarHBondContact CE1-ND1 2.73Å; H216-H245 AromaticContact ND1-CE1 3.75Å; H216-H245 AromaticContact ND1-ND1 3.44Å; H216-H245 PolarHBondContact ND1-ND1 2.92Å; Y218-H245 WeakPolarHBondContact OH-CA 3.39Å; Y218-H245 VanDerWaalsContact OH-CB 3.27Å; Y218-H245 WeakPolarHBondContact OH-CB 3.28Å; G242-H245 PolarHBondContact O-N 2.68Å; K243-H245 VanDerWaalsContact C-N 3.29Å; K243-H245 PolarHBondContact O-N 3.36Å; H245-F248 PolarHBondContact O-N 3.27Å; H245-H249 AromaticContact CE1-CD2 3.22Å; H245-H249 PolarHBondContact CE1-CD2 2.78Å; H245-H249 AromaticContact CE1-NE2 2.97Å; H245-H249 PolarHBondContact CE1-NE2 3.4Å; H245-H249 AromaticContact ND1-CD2 3.58Å; H245-H249 AromaticContact ND1-NE2 3.56Å; H245-H249 AromaticContact NE2-CD2 3.54Å; H245-H249 AromaticContact NE2-NE2 3.64Å; H245-H249 PolarHBondContact O-CD2 2.87Å; H245-H249 VanDerWaalsContact O-CD2 3.3Å; H245-H249 PolarHBondContact O-N 3.4Å
246R83.5Confident71.8Confident139 Ų13974.4 Ų74.453%0.52541%0.405SS..Hα-helixtrans-63.2-46.3176.5-176.3-178.168.7-159.3-0.7111.6G242 K243 F248 H249 N250G242-R246 PolarHBondContact O-N 2.61Å; K243-R246 PolarHBondContact O-N 3.45Å; K243-R246 VanDerWaalsContact O-N 3.16Å; R246-F248 PolarHBondContact O-N 2.58Å; R246-H249 PolarHBondContact O-N 3.25Å; R246-N250 WeakPolarHBondContact CG-ND2 3.39Å; R246-N250 WeakPolarHBondContact O-CB 3.4Å; R246-N250 VanDerWaalsContact O-CG 3.24Å; R246-N250 PolarHBondContact O-N 3.48Å
247D81.2Confident68.9Low31 Ų3179.8 Ų79.817%0.16644%0.438CS..Hα-helixtrans-69.9-24.7-177.9-64.8-5.5000111.7K243 L272K243-D247 WeakPolarHBondContact CE-OD2 3.41Å; K243-D247 VanDerWaalsContact CG-OD2 3.31Å; K243-D247 WeakPolarHBondContact CG-OD2 3.41Å; K243-D247 WeakPolarHBondContact O-CB 3.48Å; K243-D247 PolarHBondContact O-N 2.86Å; D247-L272 HydrophobicContact CB-CB 4.31Å
248F71.9Confident66Low46 Ų4682.4 Ų82.420%0.20246%0.457CS..Hα-helixtrans-70.5-43.8170.6176-115.4000112.5Y218 L244 H245 R246 P271 T273 A275Y218-F248 HydrophobicContact CE1-CB 4.49Å; L244-F248 WeakPolarHBondContact O-CB 3.48Å; L244-F248 PolarHBondContact O-N 3.24Å; L244-F248 VanDerWaalsContact O-N 3.1Å; H245-F248 PolarHBondContact O-N 3.27Å; R246-F248 PolarHBondContact O-N 2.58Å; F248-P271 HydrophobicContact CD2-CB 4.06Å; F248-P271 HydrophobicContact CD2-CG 4.21Å; F248-P271 HydrophobicContact CE2-CG 4.25Å; F248-T273 WeakPolarHBondContact CD2-O 3.28Å; F248-T273 PolarHBondContact N-OG1 3.14Å; F248-A275 HydrophobicContact CB-CB 4.29Å; F248-A275 HydrophobicContact CD1-CB 4.34Å; F248-A275 HydrophobicContact CD2-CB 3.45Å; F248-A275 VanDerWaalsContact CD2-CB 3.45Å; F248-A275 HydrophobicContact CE2-CB 3.71Å; F248-A275 VanDerWaalsContact CE2-O 3.26Å; F248-A275 WeakPolarHBondContact CE2-O 3.2Å; F248-A275 HydrophobicContact CG-CB 3.78Å; F248-A275 HydrophobicContact CZ-CB 4.26Å
249H75.4Confident63.2Low105 Ų10588 Ų8849%0.48649%0.494SS..Hα-helixtrans-82.9-29.5-179.9-74.7-61.4000113.9H245 R246 V251H245-H249 AromaticContact CE1-CD2 3.22Å; H245-H249 PolarHBondContact CE1-CD2 2.78Å; H245-H249 AromaticContact CE1-NE2 2.97Å; H245-H249 PolarHBondContact CE1-NE2 3.4Å; H245-H249 AromaticContact ND1-CD2 3.58Å; H245-H249 AromaticContact ND1-NE2 3.56Å; H245-H249 AromaticContact NE2-CD2 3.54Å; H245-H249 AromaticContact NE2-NE2 3.64Å; H245-H249 PolarHBondContact O-CD2 2.87Å; H245-H249 VanDerWaalsContact O-CD2 3.3Å; H245-H249 PolarHBondContact O-N 3.4Å; R246-H249 PolarHBondContact O-N 3.25Å; H249-V251 PolarHBondContact O-N 3.19Å
250N67.1Low60.5Low86 Ų8693 Ų9346%0.4653%0.526SS..  trans-81.389.2178.4-71.4-6000109.2R246R246-N250 WeakPolarHBondContact CG-ND2 3.39Å; R246-N250 WeakPolarHBondContact O-CB 3.4Å; R246-N250 VanDerWaalsContact O-CG 3.24Å; R246-N250 PolarHBondContact O-N 3.48Å
251V52.5Low57.6Low83 Ų8394.9 Ų94.950%0.50355%0.548SS..PPolyproline II helixtrans-59.6123.2155.6-175.10000106.1H249H249-V251 PolarHBondContact O-N 3.19Å
252P45.8Very low54.7Low60 Ų6093.5 Ų93.539%0.3955%0.547SS..PPolyproline II helixtrans-56.8132.5177.7-6.413.5000107.8S254 L272P252-S254 PolarHBondContact O-N 3.05Å; P252-L272 HydrophobicContact CG-CD1 4.15Å; P252-L272 HydrophobicContact CG-CG 4.29Å
253P37.1Very low52Low117 Ų11798.5 Ų98.576%0.7657%0.571SS**PPolyproline II helixtrans-59.6118.3167.825.3-29.1000105.5V255P253-V255 PolarHBondContact O-N 3.06Å
254S38.3Very low49.1Very low103 Ų103103.7 Ų103.772%0.7260%0.597SS**  trans-43.2117.2171.2-52.10000107.1P252 E256P252-S254 PolarHBondContact O-N 3.05Å; S254-E256 PolarHBondContact O-N 3.12Å
255V40.6Very low46.5Very low124 Ų124109.3 Ų109.375%0.75264%0.636SS**  trans-52.9113.5176178.60000105.9P253 T257P253-V255 PolarHBondContact O-N 3.06Å; V255-T257 VanDerWaalsContact C-N 3.3Å; V255-T257 PolarHBondContact O-N 3.49Å; V255-T257 PolarHBondContact O-OG1 3.49Å; V255-T257 VanDerWaalsContact O-OG1 3.04Å
256E32.9Very low44.2Very low194 Ų194109.9 Ų109.991%0.90766%0.655SS**  trans-52.797.6176.7-70.9-179.6162.200108.1S254S254-E256 PolarHBondContact O-N 3.12Å
257T31.3Very low41.9Very low114 Ų114109 Ų10970%0.69967%0.667SS**  trans-121.485.6168.4-22.80000105.7V255V255-T257 VanDerWaalsContact C-N 3.3Å; V255-T257 PolarHBondContact O-N 3.49Å; V255-T257 PolarHBondContact O-OG1 3.49Å; V255-T257 VanDerWaalsContact O-OG1 3.04Å
258T29.7Very low39.9Very low112 Ų112119.2 Ų119.269%0.68770%0.703SS**  trans54132.4156.550.20000119.2V260T258-V260 PolarHBondContact O-N 3.11Å; T258-V260 VanDerWaalsContact O-N 3.15Å
259P32.1Very low38.6Very low137 Ų137120.2 Ų120.289%0.8972%0.716SS**  trans-74.7112.1175.932.1-29.7000109.2
260V33.3Very low37.5Very low132 Ų132119.2 Ų119.280%0.873%0.726SS**  trans-116.3121159.6-175.10000108T258T258-V260 PolarHBondContact O-N 3.11Å; T258-V260 VanDerWaalsContact O-N 3.15Å
261C28.9Very low36.9Very low137 Ų137117.6 Ų117.693%0.92672%0.72SS**  trans-57.4132.4179.8-175.10000112
262G29.3Very low37.2Very low57 Ų57119 Ų11959%0.58872%0.724SS**  trans135.8103.3157.100000115.8
263T28Very low37.9Very low137 Ų137117 Ų11784%0.8471%0.711SS**  trans63.1137.5143.46.90000121
264E28.3Very low39.2Very low180 Ų180115 Ų11584%0.84170%0.697SS**  trans90.5124.1161.9-61.4179.7176.500117.9A266E264-A266 PolarHBondContact O-N 2.95Å
265S28.2Very low40.8Very low122 Ų122111 Ų11185%0.85367%0.671SS**  trans-49.6102.8177.946.10000112.3
266A32.2Very low42.5Very low91 Ų91105.9 Ų105.975%0.75264%0.641SS**PPolyproline II helixtrans-66.1135.5171.600000110.6E264E264-A266 PolarHBondContact O-N 2.95Å
267P35.7Very low44.8Very low120 Ų120102.2 Ų102.278%0.77963%0.628SS**PPolyproline II helixtrans-70.5133.6177.130.9-32000108.6S269P267-S269 PolarHBondContact O-N 3.17Å
268R38.8Very low47.1Very low246 Ų24697.1 Ų97.193%0.92860%0.597SS**PPolyproline II helixtrans-49.2118.2172-80.4178.4164.1-177.6-5.5108.8A270R268-A270 PolarHBondContact O-N 3.32Å
269S45.6Very low49.4Very low67 Ų6792.2 Ų92.247%0.46957%0.567SS.*PPolyproline II helixtrans-55.8126.2174.935.20000109.4P267P267-S269 PolarHBondContact O-N 3.17Å
270A51.1Low51.6Low84 Ų8485.7 Ų85.769%0.69453%0.525SS*.PPolyproline II helixtrans-62.8142.6-179.800000110.4R268R268-A270 PolarHBondContact O-N 3.32Å
271P55Low53.8Low52 Ų5281.9 Ų81.934%0.33850%0.502SS..PPolyproline II helixtrans-56.9145.2177.420.9-30.3000111.3F248 T273F248-P271 HydrophobicContact CD2-CB 4.06Å; F248-P271 HydrophobicContact CD2-CG 4.21Å; F248-P271 HydrophobicContact CE2-CG 4.25Å; P271-T273 PolarHBondContact O-N 3.38Å; P271-T273 VanDerWaalsContact O-N 3.12Å
272L58.8Low56.1Low114 Ų11481.6 Ų81.660%0.59749%0.485SS*.SBendtrans-59-27.1-176.2-75.7161.3000112.7D247 P252D247-L272 HydrophobicContact CB-CB 4.31Å; P252-L272 HydrophobicContact CG-CD1 4.15Å; P252-L272 HydrophobicContact CG-CG 4.29Å
273T60.2Low58.4Low17 Ų1781 Ų8110%0.10447%0.468CS..SBendtrans-122.8119170.925.80000109L244 F248 P271 A275L244-T273 HydrophobicContact CD2-CG2 3.96Å; L244-T273 PolarHBondContact O-OG1 3.23Å; F248-T273 WeakPolarHBondContact CD2-O 3.28Å; F248-T273 PolarHBondContact N-OG1 3.14Å; P271-T273 PolarHBondContact O-N 3.38Å; P271-T273 VanDerWaalsContact O-N 3.12Å; T273-A275 PolarHBondContact O-N 3.33Å; T273-A275 VanDerWaalsContact O-N 3.12Å
274P64.2Low60.9Low74 Ų7478 Ų7848%0.48144%0.443SS..  trans-69.9111.9172.522.9-24.3000108.5L219L219-P274 HydrophobicContact CB-CG 4.17Å; L219-P274 HydrophobicContact CD1-CB 4.14Å; L219-P274 HydrophobicContact CD1-CG 4.13Å; L219-P274 PolarHBondContact N-O 2.92Å
275A71.8Confident63.1Low19 Ų1970.8 Ų70.816%0.15741%0.412CS..EExtended strand (participates in β ladder)trans-129.3154.5178.600000111M217 Y218 F248 T273M217-A275 CarbonylContact O-C 3.16Å; M217-A275 WeakPolarHBondContact O-CA 3.43Å; M217-A275 WeakPolarHBondContact O-CB 3.16Å; Y218-A275 HydrophobicContact CD1-CB 3.54Å; Y218-A275 HydrophobicContact CE1-CB 3.76Å; Y218-A275 HydrophobicContact CG-CB 4.46Å; F248-A275 HydrophobicContact CB-CB 4.29Å; F248-A275 HydrophobicContact CD1-CB 4.34Å; F248-A275 HydrophobicContact CD2-CB 3.45Å; F248-A275 VanDerWaalsContact CD2-CB 3.45Å; F248-A275 HydrophobicContact CE2-CB 3.71Å; F248-A275 VanDerWaalsContact CE2-O 3.26Å; F248-A275 WeakPolarHBondContact CE2-O 3.2Å; F248-A275 HydrophobicContact CG-CB 3.78Å; F248-A275 HydrophobicContact CZ-CB 4.26Å; T273-A275 PolarHBondContact O-N 3.33Å; T273-A275 VanDerWaalsContact O-N 3.12Å
276A78Confident65.3Low17 Ų1766 Ų6614%0.1438%0.38CS..EExtended strand (participates in β ladder)trans-134169.1175.900000110.1H198 L199 H216 M217H198-A276 WeakPolarHBondContact O-CB 3.45Å; L199-A276 HydrophobicContact CD2-CB 4.2Å; H216-A276 CarbonylContact C-O 3.54Å; H216-A276 WeakPolarHBondContact CA-O 3.19Å; H216-A276 WeakPolarHBondContact CB-O 3.12Å; M217-A276 PolarHBondContact N-O 3.37Å; M217-A276 PolarHBondContact O-N 3.46Å
277D80Confident67.4Low117 Ų11767 Ų6763%0.62637%0.372SS*.EExtended strand (participates in β ladder)trans-62.6144.9170.9-66.6-26.4000110.7H216 V279H216-D277 IonicContact CD2-OD1 3.89Å; D277-V279 PolarHBondContact O-N 2.94Å
278S79.4Confident69.2Low7 Ų766.4 Ų66.45%0.04937%0.367CS..  trans-59.1127.4178.3175.90000111.7D212 F214 R215 V281D212-S278 WeakPolarHBondContact OD1-CB 3.5Å; D212-S278 PolarHBondContact OD1-OG 2.92Å; D212-S278 PolarHBondContact OD2-OG 3.44Å; F214-S278 VanDerWaalsContact C-CB 3.48Å; F214-S278 WeakPolarHBondContact CA-OG 3.2Å; R215-S278 WeakPolarHBondContact O-CB 3.25Å; R215-S278 PolarHBondContact O-N 3.34Å; S278-V281 VanDerWaalsContact O-CG1 3.24Å; S278-V281 WeakPolarHBondContact O-CG1 3.4Å; S278-V281 WeakPolarHBondContact OG-CB 3.28Å; S278-V281 PolarHBondContact OG-N 3.21Å
279V79.2Confident70.8Confident9 Ų960.3 Ų60.36%0.05534%0.344CS..SBendtrans-92.5-35.2171.9-1750000110.5P195 H198 M217 D277 V281 K282P195-V279 HydrophobicContact CB-CB 4.21Å; P195-V279 HydrophobicContact CB-CG1 4.11Å; P195-V279 HydrophobicContact CG-CB 4.43Å; P195-V279 HydrophobicContact CG-CG1 3.85Å; H198-V279 HydrophobicContact CB-CG2 3.38Å; H198-V279 VanDerWaalsContact CD2-CG2 3.43Å; H198-V279 WeakPolarHBondContact CD2-CG2 3.36Å; M217-V279 HydrophobicContact SD-CB 4.11Å; M217-V279 HydrophobicContact SD-CG2 3.98Å; D277-V279 PolarHBondContact O-N 2.94Å; V279-V281 PolarHBondContact O-N 3.16Å; V279-K282 VanDerWaalsContact O-CB 3.31Å; V279-K282 WeakPolarHBondContact O-CB 3.09Å; V279-K282 PolarHBondContact O-N 2.86Å
280F78.7Confident72Confident0 Ų059.1 Ų59.10%033%0.33CS..G310 helixtrans-70.5-17.6-179-68.1-96.1000112.3I136 F151 I153 F155 F192 P195 D212 F214 M217 K282 L283I136-F280 HydrophobicContact CD1-CD1 3.83Å; I136-F280 HydrophobicContact CD1-CE1 3.74Å; F151-F280 HydrophobicContact CD2-CB 4.19Å; F151-F280 HydrophobicContact CD2-CD1 4.19Å; F151-F280 HydrophobicContact CD2-CG 4.25Å; F151-F280 HydrophobicContact CE2-CB 4.28Å; F151-F280 HydrophobicContact CE2-CD1 4.24Å; I153-F280 HydrophobicContact CD1-CD1 4.11Å; I153-F280 HydrophobicContact CD1-CD2 3.84Å; I153-F280 HydrophobicContact CD1-CE1 3.8Å; I153-F280 HydrophobicContact CD1-CE2 3.48Å; I153-F280 VanDerWaalsContact CD1-CE2 3.48Å; I153-F280 HydrophobicContact CD1-CG 4.16Å; I153-F280 HydrophobicContact CD1-CZ 3.46Å; I153-F280 VanDerWaalsContact CD1-CZ 3.46Å; F155-F280 HydrophobicContact CE1-CZ 4.14Å; F155-F280 AromaticContact CZ-CE2 3.91Å; F155-F280 HydrophobicContact CZ-CE2 3.91Å; F155-F280 AromaticContact CZ-CZ 3.84Å; F155-F280 HydrophobicContact CZ-CZ 3.84Å; F192-F280 HydrophobicContact CD1-CE1 4.03Å; F192-F280 HydrophobicContact CD1-CZ 4.09Å; F192-F280 AromaticContact CE1-CE1 3.96Å; F192-F280 HydrophobicContact CE1-CE1 3.96Å; F192-F280 HydrophobicContact CE1-CZ 4.47Å; P195-F280 HydrophobicContact CB-CE2 3.85Å; P195-F280 HydrophobicContact CB-CZ 4.16Å; P195-F280 HydrophobicContact CG-CE2 4.26Å; P195-F280 HydrophobicContact CG-CZ 4.2Å; D212-F280 HydrophobicContact CB-CD2 4.23Å; D212-F280 VanDerWaalsContact OD2-CB 3.29Å; D212-F280 WeakPolarHBondContact OD2-CB 3.3Å; D212-F280 VanDerWaalsContact OD2-CD2 3.22Å; D212-F280 WeakPolarHBondContact OD2-CD2 3.47Å; D212-F280 PolarHBondContact OD2-N 2.9Å; F214-F280 HydrophobicContact CE1-CB 4.32Å; M217-F280 HydrophobicContact CE-CD2 4.16Å; M217-F280 HydrophobicContact CE-CE2 3.92Å; M217-F280 HydrophobicContact SD-CD2 4.31Å; F280-K282 PolarHBondContact O-N 3.05Å; F280-L283 HydrophobicContact CD1-CD1 3.65Å; F280-L283 HydrophobicContact CE1-CD1 4.13Å; F280-L283 HydrophobicContact CG-CD1 4.46Å; F280-L283 WeakPolarHBondContact O-CB 2.95Å; F280-L283 PolarHBondContact O-N 3.21Å
281V78.3Confident72.9Confident53 Ų5358.1 Ų58.132%0.32132%0.315SS..G310 helixtrans-57.5-29.616877.50000112.2F214 S278 V279 L283 K284F214-V281 HydrophobicContact CB-CB 4.4Å; F214-V281 HydrophobicContact CB-CG2 4.26Å; F214-V281 WeakPolarHBondContact O-CG2 3.33Å; S278-V281 VanDerWaalsContact O-CG1 3.24Å; S278-V281 WeakPolarHBondContact O-CG1 3.4Å; S278-V281 WeakPolarHBondContact OG-CB 3.28Å; S278-V281 PolarHBondContact OG-N 3.21Å; V279-V281 PolarHBondContact O-N 3.16Å; V281-L283 PolarHBondContact O-N 3.48Å; V281-K284 HydrophobicContact CG2-CD 3.91Å; V281-K284 VanDerWaalsContact O-CB 3.27Å; V281-K284 WeakPolarHBondContact O-CB 3.43Å; V281-K284 WeakPolarHBondContact O-CG 3.14Å; V281-K284 PolarHBondContact O-N 3.32Å
282K78.3Confident73.5Confident131 Ų13157.6 Ų57.657%0.5731%0.31SS*.G310 helixtrans-72.4-15.7177-59.6178.2-179.1173.10112.8V279 F280V279-K282 VanDerWaalsContact O-CB 3.31Å; V279-K282 WeakPolarHBondContact O-CB 3.09Å; V279-K282 PolarHBondContact O-N 2.86Å; F280-K282 PolarHBondContact O-N 3.05Å
283L77.7Confident73.6Confident45 Ų4558.8 Ų58.824%0.23632%0.317CS..G310 helixtrans-88.8-5.8174.8-57178.4000112.3A141 E142 T145 F280 V281A141-L283 HydrophobicContact CB-CB 4.21Å; A141-L283 HydrophobicContact CB-CD1 3.66Å; A141-L283 HydrophobicContact CB-CG 4.46Å; E142-L283 WeakPolarHBondContact CA-O 3.3Å; E142-L283 WeakPolarHBondContact CG-O 3.4Å; T145-L283 HydrophobicContact CG2-CB 4.42Å; F280-L283 HydrophobicContact CD1-CD1 3.65Å; F280-L283 HydrophobicContact CE1-CD1 4.13Å; F280-L283 HydrophobicContact CG-CD1 4.46Å; F280-L283 WeakPolarHBondContact O-CB 2.95Å; F280-L283 PolarHBondContact O-N 3.21Å; V281-L283 PolarHBondContact O-N 3.48Å
284K79Confident73.5Confident74 Ų7467 Ų6732%0.32235%0.346SS..SBendtrans-58.8156.9167.4-72.1-176.9177.3-177.30110.8T145 F214 V281 A286T145-K284 HydrophobicContact CG2-CG 4.35Å; T145-K284 WeakPolarHBondContact OG1-CA 3.29Å; F214-K284 VanDerWaalsContact CG-CE 3.45Å; V281-K284 HydrophobicContact CG2-CD 3.91Å; V281-K284 VanDerWaalsContact O-CB 3.27Å; V281-K284 WeakPolarHBondContact O-CB 3.43Å; V281-K284 WeakPolarHBondContact O-CG 3.14Å; V281-K284 PolarHBondContact O-N 3.32Å; K284-A286 PolarHBondContact O-N 3.09Å
285P75.6Confident73.1Confident27 Ų2769.7 Ų69.718%0.17536%0.356CS..  trans-49.6110.7171.2-25.833.5000110E142 E146 Y290 V292E142-P285 HydrophobicContact CG-CG 4.07Å; E146-P285 HydrophobicContact CG-CG 3.51Å; E146-P285 WeakPolarHBondContact OE1-CG 3.15Å; P285-Y290 HydrophobicContact CB-CD2 4.1Å; P285-V292 HydrophobicContact CB-CG2 4.43Å
286A74.1Confident71.6Confident23 Ų2377.2 Ų77.219%0.1939%0.388CS..  trans-79.8135.3-171.200000110.4K284 T288 R289 Y290K284-A286 PolarHBondContact O-N 3.09Å; A286-T288 WeakPolarHBondContact CB-OG1 3.46Å; A286-T288 PolarHBondContact O-N 3.06Å; A286-R289 PolarHBondContact O-N 3.03Å; A286-Y290 PolarHBondContact O-N 3.43Å
287N76.3Confident69.5Low110 Ų11086.9 Ų86.959%0.58844%0.436SS*.THydrogen-bonded Turntrans-59.1-18.2172.6-70.3-7.9000113.1F21 R289 Y290 V292F21-N287 VanDerWaalsContact CE2-O 3.3Å; F21-N287 WeakPolarHBondContact CE2-O 3.4Å; N287-R289 PolarHBondContact O-N 3.1Å; N287-Y290 CarbonylContact C-O 3.51Å; N287-Y290 WeakPolarHBondContact CA-O 3.23Å; N287-V292 WeakPolarHBondContact OD1-CG2 3.18Å
288T73.4Confident68.9Low109 Ų10985.4 Ų85.467%0.66943%0.427SS*.THydrogen-bonded Turntrans-74.7-11.417456.90000113.7F21 A286F21-T288 WeakPolarHBondContact CE1-O 3.48Å; F21-T288 WeakPolarHBondContact CZ-O 3.31Å; A286-T288 WeakPolarHBondContact CB-OG1 3.46Å; A286-T288 PolarHBondContact O-N 3.06Å
289R71.3Confident68.4Low118 Ų11889.5 Ų89.545%0.44545%0.447SS..THydrogen-bonded Turntrans-127.4-30179.8-71.3-173-80166.1-0112.7F21 R50 A286 N287F21-R289 WeakPolarHBondContact CB-O 3.45Å; F21-R289 WeakPolarHBondContact CD1-O 3.2Å; F21-R289 WeakPolarHBondContact CD2-O 3.44Å; F21-R289 WeakPolarHBondContact CG-O 3.46Å; R50-R289 PolarHBondContact NH1-O 2.66Å; R50-R289 PolarHBondContact NH2-O 2.69Å; A286-R289 PolarHBondContact O-N 3.03Å; N287-R289 PolarHBondContact O-N 3.1Å
290Y70.8Confident67.8Low42 Ų4294 Ų9417%0.16547%0.469CS..  trans-126.2159.4-176.8-55.9-81000110.8E142 P285 A286 N287E142-Y290 WeakPolarHBondContact OE1-CE2 3.36Å; P285-Y290 HydrophobicContact CB-CD2 4.1Å; A286-Y290 PolarHBondContact O-N 3.43Å; N287-Y290 CarbonylContact C-O 3.51Å; N287-Y290 WeakPolarHBondContact CA-O 3.23Å
291T70.1Confident67.1Low62 Ų6299.5 Ų99.538%0.3850%0.496SS..  trans-99.8111.9164.4-56.80000107.5W18 C19W18-T291 HydrophobicContact CH2-CG2 3.49Å; W18-T291 VanDerWaalsContact CH2-CG2 3.49Å; W18-T291 HydrophobicContact CZ3-CG2 3.63Å; C19-T291 PolarHBondContact SG-OG1 3.2Å
292V68.9Low66.4Low41 Ų41102.4 Ų102.425%0.24851%0.507CS..  trans-86.5117.2-174.1-179.30000109.3P285 N287 R294P285-V292 HydrophobicContact CB-CG2 4.43Å; N287-V292 WeakPolarHBondContact OD1-CG2 3.18Å; V292-R294 HydrophobicContact CG1-CB 4.41Å
293L60.6Low65.7Low140 Ų140100.5 Ų100.573%0.73350%0.503SS*.SBendtrans-76.6-20-178.2-71.2167.6000113.9
294R58.5Low64.8Low189 Ų189104.5 Ų104.571%0.71352%0.522SS*.THydrogen-bonded Turntrans-80-20.2-169.7-76.9-172.2178.5166.11.9115E146 V292E146-R294 PolarHBondContact O-NH1 3.41Å; E146-R294 VanDerWaalsContact O-NH1 3.1Å; V292-R294 HydrophobicContact CG1-CB 4.41Å
295D54Low63.7Low130 Ų130106.8 Ų106.870%0.69554%0.537SS*.THydrogen-bonded Turntrans-92.6-2.6-175.3-72-16.6000113.4
296E41.6Very low62.7Low178 Ų178113.5 Ų113.583%0.83257%0.568SS**  trans-105.520.6-177.8-62.4-149.8168.600114.9
297L32.8Very low61.7Low220 Ų220121.7 Ų121.7100%1.15260%0.602SS**  trans-125.60174.9-90.3150.5000110.9

Retrieved 297 of 297 residues in 725.7 ms (Link to these results)

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