A0A087YKB4_POEFO Loading...

WW domain binding protein 2

AlphaFold DB , UniProt , Accession A0A087YKB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M89.4Confident92.7Very high1 Ų162.2 Ų62.21%0.00536%0.356CS..  0127.30161.360.771.600109.8F70 M71 M72 P73 L76 V96 E99 G102 W104M1-F70 HydrophobicContact CE-CE1 4.21Å; M1-F70 HydrophobicContact CE-CE2 3.93Å; M1-F70 HydrophobicContact CE-CZ 3.59Å; M1-F70 HydrophobicContact SD-CD2 4.08Å; M1-F70 HydrophobicContact SD-CE2 3.41Å; M1-F70 WeakPolarHBondContact SD-CE2 3.2Å; M1-F70 HydrophobicContact SD-CZ 3.75Å; M1-M71 VanDerWaalsContact CA-O 3.28Å; M1-M71 WeakPolarHBondContact CA-O 3.43Å; M1-M71 VanDerWaalsContact CE-O 3.31Å; M1-M71 WeakPolarHBondContact CE-O 3.19Å; M1-M71 VanDerWaalsContact N-CE 3.32Å; M1-M72 HydrophobicContact CE-CB 4.23Å; M1-M72 HydrophobicContact CE-CG 3.87Å; M1-P73 HydrophobicContact CB-CG 4.21Å; M1-L76 HydrophobicContact CB-CD1 3.47Å; M1-L76 VanDerWaalsContact CB-CD1 3.47Å; M1-V96 HydrophobicContact CE-CB 4.27Å; M1-V96 HydrophobicContact CE-CG1 4.09Å; M1-V96 HydrophobicContact CE-CG2 3.22Å; M1-E99 HydrophobicContact CB-CB 4.42Å; M1-E99 HydrophobicContact CB-CG 3.9Å; M1-E99 PolarHBondContact N-OE1 3.47Å; M1-E99 PolarHBondContact N-OE2 3.43Å; M1-G102 WeakPolarHBondContact O-CA 3.27Å; M1-W104 HydrophobicContact CE-CZ2 4.26Å; M1-W104 HydrophobicContact SD-CZ2 4.43Å; M1-W104 PolarHBondContact SD-NE1 3.21Å
2T94.3Very high92.6Very high28 Ų2859.3 Ų59.317%0.17235%0.351CS..EExtended strand (participates in β ladder)trans-143.7137177.748.80000110.9Q5 N6 M71 G102T2-Q5 HydrophobicContact CG2-CB 4.31Å; T2-Q5 HydrophobicContact CG2-CG 4.29Å; T2-N6 PolarHBondContact OG1-OD1 3.35Å; T2-M71 HydrophobicContact CG2-CE 4.03Å; T2-M71 PolarHBondContact N-O 3.09Å; T2-M71 PolarHBondContact O-N 3.23Å; T2-M71 WeakPolarHBondContact OG1-CB 3.25Å; T2-M71 VanDerWaalsContact OG1-CE 3.3Å; T2-M71 WeakPolarHBondContact OG1-CE 3.49Å; T2-G102 CarbonylContact C-O 3.56Å; T2-G102 WeakPolarHBondContact CA-O 3.46Å
3L96.5Very high92.9Very high16 Ų1657.5 Ų57.58%0.08434%0.34CS..EExtended strand (participates in β ladder)trans-97.2128.4168.6179.166.8000109.3Q5 P41 F42 L67 F70 G102 W104L3-Q5 PolarHBondContact O-N 3.45Å; L3-P41 HydrophobicContact CD2-CB 4.24Å; L3-P41 HydrophobicContact CD2-CG 4.31Å; L3-F42 HydrophobicContact CD1-CE2 4.42Å; L3-F42 HydrophobicContact CD1-CZ 4.17Å; L3-F42 HydrophobicContact CD2-CE2 3.85Å; L3-F42 HydrophobicContact CD2-CZ 4.19Å; L3-L67 HydrophobicContact CD1-CD1 4.11Å; L3-L67 HydrophobicContact CD1-CG 3.91Å; L3-F70 HydrophobicContact CD1-CD2 3.97Å; L3-G102 PolarHBondContact N-O 2.93Å; L3-W104 HydrophobicContact CD2-CB 4.37Å
4N96.3Very high93Very high43 Ų4359.2 Ų59.223%0.2335%0.346CS..SBendtrans57.638.9174.5-65.7-12.4000114.9H7 A66 Q68 S69N4-H7 VanDerWaalsContact C-CE1 3.49Å; N4-H7 PolarHBondContact O-CE1 3.39Å; N4-A66 PolarHBondContact ND2-O 3.22Å; N4-Q68 PolarHBondContact OD1-N 2.88Å; N4-S69 PolarHBondContact N-O 3.5Å; N4-S69 PolarHBondContact OD1-N 3.13Å; N4-S69 PolarHBondContact OD1-O 2.85Å
5Q95.2Very high92.9Very high134 Ų13457.7 Ų57.763%0.62634%0.335SS*.  trans-122.6-3177.1-60.1-62.1-23.200114T2 L3 S69T2-Q5 HydrophobicContact CG2-CB 4.31Å; T2-Q5 HydrophobicContact CG2-CG 4.29Å; L3-Q5 PolarHBondContact O-N 3.45Å; Q5-S69 PolarHBondContact N-OG 3.36Å
6N95.8Very high92.6Very high12 Ų1259.9 Ų59.96%0.06435%0.345CS..SBendtrans-116.831.3-175.1-70.991.6000113.1T2 I14 I58 S69 M71T2-N6 PolarHBondContact OG1-OD1 3.35Å; N6-I14 PolarHBondContact ND2-O 3.02Å; N6-I14 PolarHBondContact O-N 2.98Å; N6-I58 HydrophobicContact CB-CG2 3.84Å; N6-S69 PolarHBondContact N-OG 2.97Å; N6-M71 WeakPolarHBondContact OD1-CB 3.27Å
7H95.4Very high92Very high43 Ų4366.4 Ų66.420%0.19938%0.378CS..BIsolated β-bridgetrans-129.7147176.364.3-91.4000110.3N4 G12 I14 L60 Q68 S69N4-H7 VanDerWaalsContact C-CE1 3.49Å; N4-H7 PolarHBondContact O-CE1 3.39Å; H7-G12 CarbonylContact C-O 3.57Å; H7-G12 VanDerWaalsContact CA-O 3.27Å; H7-G12 WeakPolarHBondContact CA-O 3.39Å; H7-I14 VanDerWaalsContact C-CD1 3.5Å; H7-I14 WeakPolarHBondContact O-CD1 3.44Å; H7-L60 HydrophobicContact CB-CD1 3.54Å; H7-Q68 PolarHBondContact CD2-OE1 3.42Å; H7-Q68 PolarHBondContact CE1-OE1 2.95Å; H7-Q68 PolarHBondContact NE2-OE1 3.39Å; H7-S69 PolarHBondContact N-OG 2.82Å; H7-S69 PolarHBondContact ND1-OG 3.13Å
8S93.8Very high91.6Very high30 Ų3068.4 Ų68.421%0.2140%0.397CS..  trans-93.3160.4171.169.50000111S10 G11 G12S8-S10 PolarHBondContact O-N 3.42Å; S8-S10 PolarHBondContact OG-N 2.89Å; S8-S10 PolarHBondContact OG-OG 3.37Å; S8-G11 PolarHBondContact O-N 3.09Å; S8-G11 PolarHBondContact OG-N 2.97Å; S8-G12 PolarHBondContact N-O 2.75Å; S8-G12 WeakPolarHBondContact OG-CA 3.02Å; S8-G12 PolarHBondContact OG-N 3.05Å; S8-G12 PolarHBondContact OG-O 3.41Å
9E89Confident91.4Very high210 Ų21066.1 Ų66.198%0.98138%0.382SS*.THydrogen-bonded Turntrans-60.5-27.1173.1-62.1-176.9171.700112.6G11E9-G11 PolarHBondContact O-N 2.84Å
10S87.8Confident91.3Very high113 Ų11364.3 Ų64.379%0.7937%0.374SS*.THydrogen-bonded Turntrans-77.4-0.6174.156.90000114.2S8S8-S10 PolarHBondContact O-N 3.42Å; S8-S10 PolarHBondContact OG-N 2.89Å; S8-S10 PolarHBondContact OG-OG 3.37Å
11G86.5Confident91.4Very high54 Ų5462.8 Ų62.856%0.55737%0.365SS*.SBendtrans83.117.6178.200000114.8S8 E9S8-G11 PolarHBondContact O-N 3.09Å; S8-G11 PolarHBondContact OG-N 2.97Å; E9-G11 PolarHBondContact O-N 2.84Å
12G91.9Very high91.5Very high28 Ų2863.4 Ų63.429%0.28937%0.369SS..PPolyproline II helixtrans-91.8163.7173.900000112.6H7 S8H7-G12 CarbonylContact C-O 3.57Å; H7-G12 VanDerWaalsContact CA-O 3.27Å; H7-G12 WeakPolarHBondContact CA-O 3.39Å; S8-G12 PolarHBondContact N-O 2.75Å; S8-G12 WeakPolarHBondContact OG-CA 3.02Å; S8-G12 PolarHBondContact OG-N 3.05Å; S8-G12 PolarHBondContact OG-O 3.41Å
13V95.5Very high91.6Very high36 Ų3662.8 Ų62.822%0.21836%0.364CS..BIsolated β-bridgetrans-80.2137.8171.165.50000110.3I15 Y51 I58 L60V13-I15 HydrophobicContact CG1-CD1 3.93Å; V13-I15 HydrophobicContact CG1-CG1 4.17Å; V13-I15 HydrophobicContact CG2-CD1 4.35Å; V13-I15 HydrophobicContact CG2-CG1 4Å; V13-Y51 HydrophobicContact CB-CD2 4.08Å; V13-Y51 HydrophobicContact CB-CE2 3.83Å; V13-Y51 HydrophobicContact CG1-CD1 3.98Å; V13-Y51 HydrophobicContact CG1-CD2 4.18Å; V13-Y51 HydrophobicContact CG1-CE1 3.75Å; V13-Y51 HydrophobicContact CG1-CE2 3.94Å; V13-Y51 HydrophobicContact CG1-CG 4.2Å; V13-Y51 HydrophobicContact CG2-CD2 3.99Å; V13-Y51 HydrophobicContact CG2-CE2 4.25Å; V13-Y51 HydrophobicContact CG2-CG 4.37Å; V13-I58 HydrophobicContact CG2-CB 4.45Å; V13-I58 HydrophobicContact CG2-CD1 4.34Å; V13-I58 HydrophobicContact CG2-CG2 3.88Å; V13-L60 HydrophobicContact CB-CD2 4.18Å
14I94.9Very high91.6Very high81 Ų8164.3 Ų64.342%0.41538%0.376SS..PPolyproline II helixtrans-99.3120.8171.8-61.2177.4000109N6 H7N6-I14 PolarHBondContact ND2-O 3.02Å; N6-I14 PolarHBondContact O-N 2.98Å; H7-I14 VanDerWaalsContact C-CD1 3.5Å; H7-I14 WeakPolarHBondContact O-CD1 3.44Å
15I91.8Very high91.6Very high36 Ų3664.3 Ų64.319%0.18538%0.375CS..  trans-121.7143.7179.9-59.2178.3000108.1V13 E19 V21 I58V13-I15 HydrophobicContact CG1-CD1 3.93Å; V13-I15 HydrophobicContact CG1-CG1 4.17Å; V13-I15 HydrophobicContact CG2-CD1 4.35Å; V13-I15 HydrophobicContact CG2-CG1 4Å; I15-E19 HydrophobicContact CG2-CB 3.9Å; I15-E19 HydrophobicContact CG2-CG 4.06Å; I15-E19 WeakPolarHBondContact CG2-O 3.41Å; I15-V21 HydrophobicContact CD1-CG2 3.07Å; I15-I58 HydrophobicContact CG1-CD1 4.26Å
16N87.8Confident91.7Very high93 Ų9362.7 Ų62.750%0.49737%0.37SS..  trans-64139.8179.4-170.4-23.2000109.4S18 E19N16-S18 PolarHBondContact O-N 3.4Å; N16-S18 PolarHBondContact OD1-N 3.26Å; N16-S18 PolarHBondContact OD1-OG 2.86Å; N16-E19 HydrophobicContact CB-CB 4.29Å; N16-E19 WeakPolarHBondContact O-CA 3.26Å; N16-E19 WeakPolarHBondContact O-CB 3.13Å; N16-E19 PolarHBondContact O-N 3.05Å; N16-E19 VanDerWaalsContact O-O 3.11Å
17N82.8Confident91.7Very high170 Ų17067.3 Ų67.391%0.90940%0.395SS*.THydrogen-bonded Turntrans-57.9-22.5-179.3-67-12.6000113.6E19N17-E19 VanDerWaalsContact C-N 3.3Å
18S85.1Confident91.9Very high103 Ų10365.3 Ų65.372%0.7239%0.386SS*.THydrogen-bonded Turntrans-86.44.1175.168.10000114.1N16N16-S18 PolarHBondContact O-N 3.4Å; N16-S18 PolarHBondContact OD1-N 3.26Å; N16-S18 PolarHBondContact OD1-OG 2.86Å
19E87.1Confident92.1Very high24 Ų2466.6 Ų66.611%0.11239%0.388CS..  trans-127.5137.3-173-172.8177.3-140.200110.6I15 N16 N17 T53 R56I15-E19 HydrophobicContact CG2-CB 3.9Å; I15-E19 HydrophobicContact CG2-CG 4.06Å; I15-E19 WeakPolarHBondContact CG2-O 3.41Å; N16-E19 HydrophobicContact CB-CB 4.29Å; N16-E19 WeakPolarHBondContact O-CA 3.26Å; N16-E19 WeakPolarHBondContact O-CB 3.13Å; N16-E19 PolarHBondContact O-N 3.05Å; N16-E19 VanDerWaalsContact O-O 3.11Å; N17-E19 VanDerWaalsContact C-N 3.3Å; E19-T53 HydrophobicContact CG-CG2 4.14Å; E19-T53 WeakPolarHBondContact OE1-CB 3.21Å; E19-T53 PolarHBondContact OE1-OG1 3.38Å; E19-R56 IonicContact OE1-NE 3.13Å; E19-R56 PolarHBondContact OE1-NE 2.9Å; E19-R56 IonicContact OE2-CZ 2.68Å; E19-R56 IonicContact OE2-NE 2.74Å; E19-R56 PolarHBondContact OE2-NE 2.95Å; E19-R56 IonicContact OE2-NH2 2.99Å; E19-R56 PolarHBondContact OE2-NH2 3.35Å
20S88.9Confident92.5Very high31 Ų3156.6 Ų56.622%0.21734%0.342CS..  trans-106.1156.4175.159.20000111.9P54S20-P54 VanDerWaalsContact O-CD 3.31Å; S20-P54 WeakPolarHBondContact O-CD 3.41Å
21V93.8Very high93Very high32 Ų3253.2 Ų53.219%0.19432%0.316CS..  trans-78.7126.1166-179.70000108.3I15 M23 Y51I15-V21 HydrophobicContact CD1-CG2 3.07Å; V21-M23 WeakPolarHBondContact CG1-O 3.34Å; V21-Y51 HydrophobicContact CG1-CD1 4.23Å; V21-Y51 HydrophobicContact CG2-CD1 4.31Å
22L92.4Very high93.6Very high14 Ų1451 Ų517%0.07329%0.291CS..  trans-85.2-42.1173.1-57.8176.6000111.1L52 P54 A129 L139L22-L52 HydrophobicContact CB-CG 4.39Å; L22-L52 HydrophobicContact CD1-CG 4.3Å; L22-L52 PolarHBondContact N-O 2.8Å; L22-P54 HydrophobicContact CD1-CG 4.32Å; L22-P54 HydrophobicContact CD2-CG 4.23Å; L22-P54 HydrophobicContact CG-CG 4.36Å; L22-A129 HydrophobicContact CD1-CB 4.39Å; L22-L139 HydrophobicContact CD1-CD1 3.32Å; L22-L139 HydrophobicContact CD2-CD1 4.03Å; L22-L139 HydrophobicContact CG-CD1 4.3Å
23M94.9Very high93.8Very high16 Ų1652.8 Ų52.88%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-158149.3-175.5-176170.1-78.700109.7V21 L52 E121 F122 F125V21-M23 WeakPolarHBondContact CG1-O 3.34Å; M23-L52 HydrophobicContact CB-CB 4.21Å; M23-L52 HydrophobicContact CB-CD2 4.47Å; M23-L52 PolarHBondContact N-O 2.95Å; M23-L52 PolarHBondContact O-N 3.08Å; M23-E121 HydrophobicContact CE-CG 3.66Å; M23-E121 WeakPolarHBondContact CE-OE1 3.33Å; M23-E121 HydrophobicContact SD-CG 4.04Å; M23-F122 HydrophobicContact CG-CD2 4.21Å; M23-F122 HydrophobicContact SD-CB 4.25Å; M23-F122 HydrophobicContact SD-CD2 4.21Å; M23-F125 HydrophobicContact CE-CD2 3.74Å; M23-F125 HydrophobicContact CE-CE2 3.92Å; M23-F125 HydrophobicContact CE-CG 4.36Å; M23-F125 HydrophobicContact SD-CD2 4.36Å
24S96.6Very high93.7Very high48 Ų4853.2 Ų53.234%0.33630%0.3SS..EExtended strand (participates in β ladder)trans-142.7146.5172.557.50000111.3V50S24-V50 CarbonylContact C-O 3.52Å; S24-V50 WeakPolarHBondContact CA-O 3.31Å
25H97.8Very high93.6Very high43 Ų4350.2 Ų50.220%0.19929%0.287CS..EExtended strand (participates in β ladder)trans-131.3135.1170.4-73.5-77000110.8V28 S49 V50 F114 F122H25-V28 HydrophobicContact CB-CG2 3.95Å; H25-S49 CarbonylContact O-C 3.58Å; H25-S49 VanDerWaalsContact O-CA 3.26Å; H25-S49 WeakPolarHBondContact O-CA 3.49Å; H25-V50 HydrophobicContact CB-CG1 4.18Å; H25-V50 PolarHBondContact N-O 2.77Å; H25-V50 PolarHBondContact O-N 3.45Å; H25-F114 HydrophobicContact CB-CD1 4.21Å; H25-F114 HydrophobicContact CB-CE1 3.96Å; H25-F114 AromaticContact CD2-CE1 3.93Å; H25-F122 AromaticContact CD2-CD2 3.72Å
26D96.7Very high93.6Very high99 Ų9955 Ų5553%0.52931%0.313SS..EExtended strand (participates in β ladder)trans-86.5169170.6-61.7-39.8000111.3V28 S49D26-V28 PolarHBondContact O-N 2.82Å; D26-S49 WeakPolarHBondContact OD1-CB 2.99Å; D26-S49 PolarHBondContact OD1-OG 3.06Å
27N96.1Very high93.9Very high109 Ų10961.5 Ų61.558%0.58333%0.331SS*.EExtended strand (participates in β ladder)trans57.535176-57.8-11.5000113.3G48N27-G48 PolarHBondContact N-O 3.26Å
28V98.4Very high94.4Very high1 Ų153.9 Ų53.91%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-90.2139.7172.8178.30000109.3H25 D26 G48 V50 L112 V113 F114H25-V28 HydrophobicContact CB-CG2 3.95Å; D26-V28 PolarHBondContact O-N 2.82Å; V28-G48 PolarHBondContact N-O 2.73Å; V28-G48 PolarHBondContact O-N 3.37Å; V28-V50 HydrophobicContact CB-CG1 4.32Å; V28-V50 HydrophobicContact CG1-CB 4.46Å; V28-V50 HydrophobicContact CG1-CG1 4.34Å; V28-V50 HydrophobicContact CG2-CB 4.49Å; V28-V50 HydrophobicContact CG2-CG1 3.78Å; V28-L112 HydrophobicContact CG1-CB 4.11Å; V28-L112 HydrophobicContact CG1-CD2 4.11Å; V28-V113 WeakPolarHBondContact CA-O 3.36Å; V28-F114 HydrophobicContact CG1-CE2 4.4Å; V28-F114 HydrophobicContact CG1-CZ 4.35Å; V28-F114 HydrophobicContact CG2-CD1 3.59Å; V28-F114 HydrophobicContact CG2-CE1 3.61Å; V28-F114 HydrophobicContact CG2-CG 4.21Å; V28-F114 HydrophobicContact CG2-CZ 4.25Å
29E98.3Very high94.9Very high57 Ų5751.8 Ų51.827%0.26627%0.274SS..EExtended strand (participates in β ladder)trans-106.3120.4174.8-176.6174.1-146.300110.5V31 S45 K46 K47 V113E29-V31 HydrophobicContact CG-CG2 3.99Å; E29-S45 WeakPolarHBondContact OE1-CB 3.44Å; E29-S45 PolarHBondContact OE1-OG 3.29Å; E29-K46 CarbonylContact C-O 3.57Å; E29-K46 VanDerWaalsContact CA-O 3.27Å; E29-K46 WeakPolarHBondContact CA-O 3.13Å; E29-K47 HydrophobicContact CG-CG 4.44Å; E29-V113 HydrophobicContact CB-CB 4.24Å; E29-V113 PolarHBondContact N-O 2.79Å; E29-V113 PolarHBondContact O-N 2.83Å
30L98.6Very high95.2Very high0 Ų056.7 Ų56.70%030%0.297CS..EExtended strand (participates in β ladder)trans-91.6125.4172.917463.2000109.5F32 S45 K46 F59 L67 F70 F110 K111 L112L30-F32 HydrophobicContact CD1-CE1 4.37Å; L30-F32 HydrophobicContact CD1-CE2 4.43Å; L30-F32 HydrophobicContact CD1-CZ 4.09Å; L30-F32 HydrophobicContact CD2-CE2 3.84Å; L30-F32 HydrophobicContact CD2-CZ 3.69Å; L30-F32 HydrophobicContact CG-CE2 3.9Å; L30-F32 HydrophobicContact CG-CZ 3.95Å; L30-S45 CarbonylContact O-C 3.5Å; L30-S45 WeakPolarHBondContact O-CA 3.21Å; L30-K46 HydrophobicContact CB-CB 4.3Å; L30-K46 PolarHBondContact N-O 2.87Å; L30-K46 PolarHBondContact O-N 3.22Å; L30-F59 HydrophobicContact CB-CD1 4.14Å; L30-F59 HydrophobicContact CB-CD2 3.81Å; L30-F59 HydrophobicContact CB-CE1 3.95Å; L30-F59 HydrophobicContact CB-CE2 3.61Å; L30-F59 HydrophobicContact CB-CG 4.06Å; L30-F59 HydrophobicContact CB-CZ 3.69Å; L30-F59 HydrophobicContact CD2-CB 4.03Å; L30-F59 HydrophobicContact CD2-CD1 3.54Å; L30-F59 HydrophobicContact CD2-CD2 4.27Å; L30-F59 HydrophobicContact CD2-CE1 4.02Å; L30-F59 HydrophobicContact CD2-CG 3.67Å; L30-F59 HydrophobicContact CG-CG 4.48Å; L30-L67 HydrophobicContact CD2-CD1 4.45Å; L30-F70 HydrophobicContact CD2-CD1 4.34Å; L30-F110 HydrophobicContact CD1-CB 4Å; L30-K111 WeakPolarHBondContact CA-O 3.4Å; L30-L112 HydrophobicContact CB-CD2 4.27Å; L30-L112 HydrophobicContact CD1-CD2 3.83Å
31V98.1Very high95.5Very high42 Ų4256.4 Ų56.426%0.25529%0.294SS..EExtended strand (participates in β ladder)trans-128.2134.2178.9-171.80000109.5E29 F110 K111 V113E29-V31 HydrophobicContact CG-CG2 3.99Å; V31-F110 CarbonylContact O-C 3.6Å; V31-F110 WeakPolarHBondContact O-CA 3.47Å; V31-K111 HydrophobicContact CB-CB 4.35Å; V31-K111 PolarHBondContact N-O 3.41Å; V31-K111 PolarHBondContact O-N 2.93Å; V31-V113 HydrophobicContact CG2-CG2 4.42Å
32F98.1Very high95.7Very high7 Ų754.9 Ų54.93%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-101121170.1-60.6-78.1000109.5L30 D34 A35 L38 F42 L67 F70 A108 T109 F110L30-F32 HydrophobicContact CD1-CE1 4.37Å; L30-F32 HydrophobicContact CD1-CE2 4.43Å; L30-F32 HydrophobicContact CD1-CZ 4.09Å; L30-F32 HydrophobicContact CD2-CE2 3.84Å; L30-F32 HydrophobicContact CD2-CZ 3.69Å; L30-F32 HydrophobicContact CG-CE2 3.9Å; L30-F32 HydrophobicContact CG-CZ 3.95Å; F32-D34 PolarHBondContact O-N 2.82Å; F32-A35 HydrophobicContact CB-CB 4.29Å; F32-A35 WeakPolarHBondContact O-CB 3.34Å; F32-A35 PolarHBondContact O-N 2.92Å; F32-L38 HydrophobicContact CB-CD1 3.76Å; F32-L38 HydrophobicContact CD1-CD1 4.17Å; F32-L38 HydrophobicContact CG-CD1 4.03Å; F32-F42 AromaticContact CD1-CD1 3.98Å; F32-F42 HydrophobicContact CD1-CD1 3.98Å; F32-F42 HydrophobicContact CD2-CB 3.88Å; F32-F42 AromaticContact CD2-CD1 3.78Å; F32-F42 HydrophobicContact CD2-CD1 3.78Å; F32-F42 HydrophobicContact CD2-CG 4.33Å; F32-F42 WeakPolarHBondContact CD2-O 3.41Å; F32-F42 AromaticContact CE1-CD1 3.65Å; F32-F42 HydrophobicContact CE1-CD1 3.65Å; F32-F42 AromaticContact CE1-CE1 3.97Å; F32-F42 HydrophobicContact CE1-CE1 3.97Å; F32-F42 HydrophobicContact CE2-CB 4.21Å; F32-F42 AromaticContact CE2-CD1 3.45Å; F32-F42 HydrophobicContact CE2-CD1 3.45Å; F32-F42 VanDerWaalsContact CE2-CD1 3.45Å; F32-F42 HydrophobicContact CE2-CE1 4.22Å; F32-F42 HydrophobicContact CE2-CG 4.23Å; F32-F42 HydrophobicContact CG-CB 4.3Å; F32-F42 HydrophobicContact CG-CD1 4.02Å; F32-F42 AromaticContact CZ-CD1 3.36Å; F32-F42 HydrophobicContact CZ-CD1 3.36Å; F32-F42 AromaticContact CZ-CE1 3.72Å; F32-F42 HydrophobicContact CZ-CE1 3.72Å; F32-L67 HydrophobicContact CE2-CD1 3.83Å; F32-L67 HydrophobicContact CZ-CD1 4.17Å; F32-F70 HydrophobicContact CE1-CD1 4.42Å; F32-F70 AromaticContact CE1-CE1 3.9Å; F32-F70 HydrophobicContact CE1-CE1 3.9Å; F32-F70 HydrophobicContact CE1-CZ 4.4Å; F32-F70 HydrophobicContact CZ-CD1 4Å; F32-F70 AromaticContact CZ-CE1 3.91Å; F32-F70 HydrophobicContact CZ-CE1 3.91Å; F32-F70 HydrophobicContact CZ-CZ 4.46Å; F32-A108 HydrophobicContact CD1-CB 3.75Å; F32-A108 HydrophobicContact CE1-CB 4.1Å; F32-T109 CarbonylContact C-O 3.51Å; F32-T109 WeakPolarHBondContact CA-O 3.23Å; F32-F110 HydrophobicContact CD1-CB 4.09Å; F32-F110 HydrophobicContact CE1-CB 4.03Å
33C96.1Very high95.7Very high67 Ų6758.3 Ų58.345%0.45330%0.297SS..THydrogen-bonded Turntrans-71.4-23.8-174.2-57.90000112.5T109 K111C33-T109 HydrophobicContact CB-CG2 4.11Å; C33-T109 PolarHBondContact N-O 2.68Å; C33-K111 VanDerWaalsContact SG-CE 3.52Å
34D94Very high95.7Very high44 Ų4466 Ų6624%0.23533%0.33CS..THydrogen-bonded Turntrans-111.726.2-178.149.5-18.2000111.5F32 D36 R37 T109F32-D34 PolarHBondContact O-N 2.82Å; D34-D36 PolarHBondContact O-N 2.79Å; D34-R37 PolarHBondContact O-N 2.89Å; D34-T109 PolarHBondContact OD1-N 2.85Å; D34-T109 PolarHBondContact OD2-N 2.84Å
35A91.9Very high95.7Very high18 Ų1866.3 Ų66.315%0.14933%0.332CS..G310 helixtrans-48.3-34.2-178.400000113.1F32 R37 L38 R43F32-A35 HydrophobicContact CB-CB 4.29Å; F32-A35 WeakPolarHBondContact O-CB 3.34Å; F32-A35 PolarHBondContact O-N 2.92Å; A35-R37 PolarHBondContact O-N 2.58Å; A35-R37 VanDerWaalsContact O-N 3.13Å; A35-L38 PolarHBondContact O-N 2.98Å; A35-R43 VanDerWaalsContact O-CD 3.27Å; A35-R43 WeakPolarHBondContact O-CD 3.19Å; A35-R43 PolarHBondContact O-NE 3.33Å; A35-R43 PolarHBondContact O-NH2 3.41Å
36D92.6Very high95.7Very high137 Ų13764.6 Ų64.673%0.73332%0.324SS*.G310 helixtrans-63-20.6-178.3-68.9-35.9000115.3D34 R43D34-D36 PolarHBondContact O-N 2.79Å; D36-R43 VanDerWaalsContact C-NH2 3.26Å; D36-R43 VanDerWaalsContact CA-NH1 3.28Å; D36-R43 PolarHBondContact O-NH1 2.9Å; D36-R43 PolarHBondContact O-NH2 2.76Å; D36-R43 IonicContact OD1-NH1 3.42Å; D36-R43 PolarHBondContact OD1-NH1 3.43Å
37R93.1Very high95.7Very high230 Ų23066.8 Ų66.887%0.86833%0.329SS*.G310 helixtrans-102.8-5.9179.1-58.4-179.5-178.5-165.1-1.2112.7D34 A35D34-R37 PolarHBondContact O-N 2.89Å; A35-R37 PolarHBondContact O-N 2.58Å; A35-R37 VanDerWaalsContact O-N 3.13Å
38L94.6Very high95.8Very high9 Ų961.7 Ų61.75%0.04730%0.302CS..SBendtrans-97.2158.9-177.3-63.2173.8000111.5F32 A35 F42 R43 W104 A108F32-L38 HydrophobicContact CB-CD1 3.76Å; F32-L38 HydrophobicContact CD1-CD1 4.17Å; F32-L38 HydrophobicContact CG-CD1 4.03Å; A35-L38 PolarHBondContact O-N 2.98Å; L38-F42 HydrophobicContact CB-CB 3.56Å; L38-F42 HydrophobicContact CB-CD2 4.32Å; L38-F42 HydrophobicContact CB-CG 3.97Å; L38-F42 HydrophobicContact CD1-CB 3.81Å; L38-F42 HydrophobicContact CD1-CD1 4.04Å; L38-F42 HydrophobicContact CD1-CG 4.08Å; L38-F42 HydrophobicContact CG-CB 4.33Å; L38-R43 PolarHBondContact O-NE 3.39Å; L38-R43 VanDerWaalsContact O-NE 3.09Å; L38-R43 PolarHBondContact O-NH2 2.96Å; L38-W104 HydrophobicContact CD2-CZ3 4.05Å; L38-A108 HydrophobicContact CD1-CB 3.56Å; L38-A108 HydrophobicContact CD2-CB 4.01Å; L38-A108 HydrophobicContact CG-CB 4.45Å
39P94.3Very high95.8Very high59 Ų5962.6 Ų62.638%0.38331%0.309SS..  trans-55.4161.5172.9-25.535.4000113.2P41 F42P39-P41 VanDerWaalsContact C-CD 3.44Å; P39-P41 VanDerWaalsContact C-N 3.34Å; P39-F42 HydrophobicContact CB-CD2 4.16Å; P39-F42 HydrophobicContact CG-CD2 4.36Å; P39-F42 HydrophobicContact CG-CE2 4.45Å; P39-F42 WeakPolarHBondContact O-CB 3.45Å; P39-F42 PolarHBondContact O-N 2.9Å
40E94.8Very high95.8Very high127 Ų12759.9 Ų59.959%0.59330%0.296SS*.G310 helixtrans-50.1-41-175.8-171.4-78.8154.900114.9F42 R43 A66E40-F42 PolarHBondContact O-N 3.13Å; E40-R43 VanDerWaalsContact O-CB 3.25Å; E40-R43 WeakPolarHBondContact O-CB 3.33Å; E40-R43 WeakPolarHBondContact O-CG 2.81Å; E40-R43 PolarHBondContact O-N 2.99Å; E40-A66 WeakPolarHBondContact OE2-CB 3.01Å
41P95.4Very high95.8Very high26 Ų2661.8 Ų61.817%0.16930%0.303CS..G310 helixtrans-57.5-26.8178.4-29.436.9000114.8L3 P39 R43 K46 A66 L67L3-P41 HydrophobicContact CD2-CB 4.24Å; L3-P41 HydrophobicContact CD2-CG 4.31Å; P39-P41 VanDerWaalsContact C-CD 3.44Å; P39-P41 VanDerWaalsContact C-N 3.34Å; P41-R43 VanDerWaalsContact C-N 3.31Å; P41-K46 WeakPolarHBondContact O-CE 3.46Å; P41-K46 PolarHBondContact O-NZ 2.74Å; P41-A66 HydrophobicContact CB-CB 4.31Å; P41-A66 HydrophobicContact CG-CB 4.4Å; P41-L67 HydrophobicContact CB-CB 4.11Å; P41-L67 VanDerWaalsContact O-CB 3.26Å; P41-L67 WeakPolarHBondContact O-CB 3.41Å
42F96.3Very high95.7Very high0 Ų059.8 Ų59.80%029%0.291CS..G310 helixtrans-86.1-2.7-178.3-63.5-96.9000113.2L3 F32 L38 P39 E40 F70 W104L3-F42 HydrophobicContact CD1-CE2 4.42Å; L3-F42 HydrophobicContact CD1-CZ 4.17Å; L3-F42 HydrophobicContact CD2-CE2 3.85Å; L3-F42 HydrophobicContact CD2-CZ 4.19Å; F32-F42 AromaticContact CD1-CD1 3.98Å; F32-F42 HydrophobicContact CD1-CD1 3.98Å; F32-F42 HydrophobicContact CD2-CB 3.88Å; F32-F42 AromaticContact CD2-CD1 3.78Å; F32-F42 HydrophobicContact CD2-CD1 3.78Å; F32-F42 HydrophobicContact CD2-CG 4.33Å; F32-F42 WeakPolarHBondContact CD2-O 3.41Å; F32-F42 AromaticContact CE1-CD1 3.65Å; F32-F42 HydrophobicContact CE1-CD1 3.65Å; F32-F42 AromaticContact CE1-CE1 3.97Å; F32-F42 HydrophobicContact CE1-CE1 3.97Å; F32-F42 HydrophobicContact CE2-CB 4.21Å; F32-F42 AromaticContact CE2-CD1 3.45Å; F32-F42 HydrophobicContact CE2-CD1 3.45Å; F32-F42 VanDerWaalsContact CE2-CD1 3.45Å; F32-F42 HydrophobicContact CE2-CE1 4.22Å; F32-F42 HydrophobicContact CE2-CG 4.23Å; F32-F42 HydrophobicContact CG-CB 4.3Å; F32-F42 HydrophobicContact CG-CD1 4.02Å; F32-F42 AromaticContact CZ-CD1 3.36Å; F32-F42 HydrophobicContact CZ-CD1 3.36Å; F32-F42 AromaticContact CZ-CE1 3.72Å; F32-F42 HydrophobicContact CZ-CE1 3.72Å; L38-F42 HydrophobicContact CB-CB 3.56Å; L38-F42 HydrophobicContact CB-CD2 4.32Å; L38-F42 HydrophobicContact CB-CG 3.97Å; L38-F42 HydrophobicContact CD1-CB 3.81Å; L38-F42 HydrophobicContact CD1-CD1 4.04Å; L38-F42 HydrophobicContact CD1-CG 4.08Å; L38-F42 HydrophobicContact CG-CB 4.33Å; P39-F42 HydrophobicContact CB-CD2 4.16Å; P39-F42 HydrophobicContact CG-CD2 4.36Å; P39-F42 HydrophobicContact CG-CE2 4.45Å; P39-F42 WeakPolarHBondContact O-CB 3.45Å; P39-F42 PolarHBondContact O-N 2.9Å; E40-F42 PolarHBondContact O-N 3.13Å; F42-F70 HydrophobicContact CE1-CD2 4.21Å; F42-F70 HydrophobicContact CE1-CE1 4.46Å; F42-F70 AromaticContact CE1-CE2 3.62Å; F42-F70 HydrophobicContact CE1-CE2 3.62Å; F42-F70 AromaticContact CE1-CZ 3.78Å; F42-F70 HydrophobicContact CE1-CZ 3.78Å; F42-F70 HydrophobicContact CZ-CD2 4.35Å; F42-F70 AromaticContact CZ-CE2 3.79Å; F42-F70 HydrophobicContact CZ-CE2 3.79Å; F42-F70 HydrophobicContact CZ-CZ 4.35Å; F42-W104 HydrophobicContact CE1-CD2 4.35Å; F42-W104 HydrophobicContact CE1-CE3 4.46Å; F42-W104 HydrophobicContact CE2-CB 3.94Å; F42-W104 HydrophobicContact CE2-CD2 4.19Å; F42-W104 HydrophobicContact CE2-CE3 4.32Å; F42-W104 HydrophobicContact CE2-CG 4.03Å; F42-W104 HydrophobicContact CZ-CB 4.1Å; F42-W104 AromaticContact CZ-CD2 3.61Å; F42-W104 HydrophobicContact CZ-CD2 3.61Å; F42-W104 AromaticContact CZ-CE3 3.95Å; F42-W104 HydrophobicContact CZ-CE3 3.95Å; F42-W104 AromaticContact CZ-CG 3.67Å; F42-W104 HydrophobicContact CZ-CG 3.67Å
43R93.9Very high95.6Very high85 Ų8559.4 Ų59.432%0.32129%0.29SS..SBendtrans-76.7145.6-178.7-58.4-68.3174142.1-8.2110.7A35 D36 L38 E40 P41 K46A35-R43 VanDerWaalsContact O-CD 3.27Å; A35-R43 WeakPolarHBondContact O-CD 3.19Å; A35-R43 PolarHBondContact O-NE 3.33Å; A35-R43 PolarHBondContact O-NH2 3.41Å; D36-R43 VanDerWaalsContact C-NH2 3.26Å; D36-R43 VanDerWaalsContact CA-NH1 3.28Å; D36-R43 PolarHBondContact O-NH1 2.9Å; D36-R43 PolarHBondContact O-NH2 2.76Å; D36-R43 IonicContact OD1-NH1 3.42Å; D36-R43 PolarHBondContact OD1-NH1 3.43Å; L38-R43 PolarHBondContact O-NE 3.39Å; L38-R43 VanDerWaalsContact O-NE 3.09Å; L38-R43 PolarHBondContact O-NH2 2.96Å; E40-R43 VanDerWaalsContact O-CB 3.25Å; E40-R43 WeakPolarHBondContact O-CB 3.33Å; E40-R43 WeakPolarHBondContact O-CG 2.81Å; E40-R43 PolarHBondContact O-N 2.99Å; P41-R43 VanDerWaalsContact C-N 3.31Å; R43-K46 WeakPolarHBondContact O-CE 3.4Å; R43-K46 PolarHBondContact O-NZ 2.77Å
44K94.1Very high95.5Very high179 Ų17957 Ų5778%0.77827%0.273SS*.SBendtrans61.3166.4-177.5-52.3174-179.6172.90112
45S96.2Very high95.5Very high53 Ų5361.3 Ų61.337%0.37129%0.287SS..  trans-75.5150.2174.662.80000111.5E29 L30E29-S45 WeakPolarHBondContact OE1-CB 3.44Å; E29-S45 PolarHBondContact OE1-OG 3.29Å; L30-S45 CarbonylContact O-C 3.5Å; L30-S45 WeakPolarHBondContact O-CA 3.21Å
46K97.5Very high95.7Very high8 Ų862.1 Ų62.14%0.03529%0.286CS..EExtended strand (participates in β ladder)trans-117.4126.7-179.2-48-63.9169.6178.90108.6E29 L30 P41 R43 F59 D65 L67E29-K46 CarbonylContact C-O 3.57Å; E29-K46 VanDerWaalsContact CA-O 3.27Å; E29-K46 WeakPolarHBondContact CA-O 3.13Å; L30-K46 HydrophobicContact CB-CB 4.3Å; L30-K46 PolarHBondContact N-O 2.87Å; L30-K46 PolarHBondContact O-N 3.22Å; P41-K46 WeakPolarHBondContact O-CE 3.46Å; P41-K46 PolarHBondContact O-NZ 2.74Å; R43-K46 WeakPolarHBondContact O-CE 3.4Å; R43-K46 PolarHBondContact O-NZ 2.77Å; K46-F59 HydrophobicContact CB-CE1 3.67Å; K46-F59 HydrophobicContact CB-CZ 3.88Å; K46-F59 WeakPolarHBondContact O-CZ 3.25Å; K46-D65 VanDerWaalsContact CD-CG 3.45Å; K46-D65 WeakPolarHBondContact CD-OD1 3.23Å; K46-D65 WeakPolarHBondContact CD-OD2 3.24Å; K46-D65 WeakPolarHBondContact CE-OD1 3.1Å; K46-D65 IonicContact NZ-OD1 2.82Å; K46-D65 PolarHBondContact NZ-OD1 2.86Å; K46-D65 IonicContact NZ-OD2 2.66Å; K46-D65 PolarHBondContact NZ-OD2 3.34Å; K46-L67 HydrophobicContact CD-CB 4.39Å; K46-L67 HydrophobicContact CG-CD2 4.47Å
47K97.6Very high96Very high144 Ų14455.6 Ų55.663%0.62625%0.252SS*.EExtended strand (participates in β ladder)trans-96.9139.4173.9-66.7-175178.7-177.50109.4E29 K62E29-K47 HydrophobicContact CG-CG 4.44Å; K47-K62 WeakPolarHBondContact O-CB 3.26Å; K47-K62 PolarHBondContact O-N 3.06Å
48G97.6Very high96.2Very high3 Ų344.7 Ų44.73%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-178.8-157.9-172.700000113.6N27 V28 L60N27-G48 PolarHBondContact N-O 3.26Å; V28-G48 PolarHBondContact N-O 2.73Å; V28-G48 PolarHBondContact O-N 3.37Å; G48-L60 CarbonylContact C-O 3.48Å; G48-L60 WeakPolarHBondContact CA-O 3.33Å
49S98.1Very high96.4Very high20 Ų2044.2 Ų44.214%0.1421%0.208CC..EExtended strand (participates in β ladder)trans-118.7149.5175.7-55.50000109.4H25 D26 L60H25-S49 CarbonylContact O-C 3.58Å; H25-S49 VanDerWaalsContact O-CA 3.26Å; H25-S49 WeakPolarHBondContact O-CA 3.49Å; D26-S49 WeakPolarHBondContact OD1-CB 2.99Å; D26-S49 PolarHBondContact OD1-OG 3.06Å; S49-L60 PolarHBondContact N-O 2.79Å; S49-L60 PolarHBondContact O-N 2.91Å
50V98.6Very high96.6Very high0 Ų042 Ų420%019%0.193CC..EExtended strand (participates in β ladder)trans-118.313717671.10000109.7S24 H25 V28 V57 I58 L112 F114 F122S24-V50 CarbonylContact C-O 3.52Å; S24-V50 WeakPolarHBondContact CA-O 3.31Å; H25-V50 HydrophobicContact CB-CG1 4.18Å; H25-V50 PolarHBondContact N-O 2.77Å; H25-V50 PolarHBondContact O-N 3.45Å; V28-V50 HydrophobicContact CB-CG1 4.32Å; V28-V50 HydrophobicContact CG1-CB 4.46Å; V28-V50 HydrophobicContact CG1-CG1 4.34Å; V28-V50 HydrophobicContact CG2-CB 4.49Å; V28-V50 HydrophobicContact CG2-CG1 3.78Å; V50-V57 HydrophobicContact CG2-CG1 3.37Å; V50-I58 CarbonylContact C-O 3.54Å; V50-I58 WeakPolarHBondContact CA-O 3.28Å; V50-L112 HydrophobicContact CG2-CD1 4.13Å; V50-L112 HydrophobicContact CG2-CD2 4.41Å; V50-F114 HydrophobicContact CG1-CE1 3.91Å; V50-F114 HydrophobicContact CG1-CZ 3.97Å; V50-F122 HydrophobicContact CB-CE2 4.48Å; V50-F122 HydrophobicContact CB-CZ 4.31Å; V50-F122 HydrophobicContact CG1-CD2 4.18Å; V50-F122 HydrophobicContact CG1-CE1 4.43Å; V50-F122 HydrophobicContact CG1-CE2 3.66Å; V50-F122 HydrophobicContact CG1-CZ 3.81Å; V50-F122 HydrophobicContact CG2-CE1 4.22Å; V50-F122 HydrophobicContact CG2-CE2 4.15Å; V50-F122 HydrophobicContact CG2-CZ 3.55Å
51Y98.2Very high96.8Very high39 Ų3936.7 Ų36.715%0.15317%0.17CC..EExtended strand (participates in β ladder)trans-120.4129.3-179.8-59.6-93.3000109.2V13 V21 V57 I58 L60V13-Y51 HydrophobicContact CB-CD2 4.08Å; V13-Y51 HydrophobicContact CB-CE2 3.83Å; V13-Y51 HydrophobicContact CG1-CD1 3.98Å; V13-Y51 HydrophobicContact CG1-CD2 4.18Å; V13-Y51 HydrophobicContact CG1-CE1 3.75Å; V13-Y51 HydrophobicContact CG1-CE2 3.94Å; V13-Y51 HydrophobicContact CG1-CG 4.2Å; V13-Y51 HydrophobicContact CG2-CD2 3.99Å; V13-Y51 HydrophobicContact CG2-CE2 4.25Å; V13-Y51 HydrophobicContact CG2-CG 4.37Å; V21-Y51 HydrophobicContact CG1-CD1 4.23Å; V21-Y51 HydrophobicContact CG2-CD1 4.31Å; Y51-V57 CarbonylContact O-C 3.56Å; Y51-V57 WeakPolarHBondContact O-CA 3.38Å; Y51-I58 PolarHBondContact N-O 3.4Å; Y51-I58 PolarHBondContact O-N 2.86Å; Y51-L60 HydrophobicContact CD2-CB 4.46Å; Y51-L60 HydrophobicContact CE2-CB 3.91Å; Y51-L60 HydrophobicContact CE2-CD2 4.07Å
52L97.6Very high96.7Very high0 Ų043.1 Ų43.10%020%0.196CC..EExtended strand (participates in β ladder)trans-99.8133.9172-175.663.9000109.2L22 M23 V57 F74 F122 F125 M126L22-L52 HydrophobicContact CB-CG 4.39Å; L22-L52 HydrophobicContact CD1-CG 4.3Å; L22-L52 PolarHBondContact N-O 2.8Å; M23-L52 HydrophobicContact CB-CB 4.21Å; M23-L52 HydrophobicContact CB-CD2 4.47Å; M23-L52 PolarHBondContact N-O 2.95Å; M23-L52 PolarHBondContact O-N 3.08Å; L52-V57 HydrophobicContact CD1-CG2 4.1Å; L52-F74 HydrophobicContact CD1-CE1 4.1Å; L52-F74 HydrophobicContact CD1-CZ 3.66Å; L52-F122 HydrophobicContact CB-CD2 4.39Å; L52-F122 HydrophobicContact CB-CE2 3.63Å; L52-F122 HydrophobicContact CB-CZ 3.92Å; L52-F122 HydrophobicContact CD1-CZ 4.49Å; L52-F125 HydrophobicContact CD2-CB 3.68Å; L52-M126 HydrophobicContact CD1-CB 3.95Å; L52-M126 HydrophobicContact CD1-CG 4.01Å; L52-M126 HydrophobicContact CD2-CB 4.4Å
53T95.4Very high96.4Very high0 Ų046.1 Ų46.10%023%0.226CC..  trans-129.9171.517665.20000108.9E19 Y55 R56E19-T53 HydrophobicContact CG-CG2 4.14Å; E19-T53 WeakPolarHBondContact OE1-CB 3.21Å; E19-T53 PolarHBondContact OE1-OG1 3.38Å; T53-Y55 PolarHBondContact O-N 2.87Å; T53-Y55 VanDerWaalsContact O-N 3.09Å; T53-R56 PolarHBondContact N-O 2.85Å; T53-R56 WeakPolarHBondContact OG1-CG 3.39Å; T53-R56 PolarHBondContact OG1-N 3.1Å; T53-R56 VanDerWaalsContact OG1-N 3.13Å; T53-R56 PolarHBondContact OG1-O 2.84Å
54P93.8Very high96Very high17 Ų1754.2 Ų54.211%0.1126%0.257CS..SBendtrans-57.8-21.8178.4-26.133.5000115.9S20 L22 F74 L139S20-P54 VanDerWaalsContact O-CD 3.31Å; S20-P54 WeakPolarHBondContact O-CD 3.41Å; L22-P54 HydrophobicContact CD1-CG 4.32Å; L22-P54 HydrophobicContact CD2-CG 4.23Å; L22-P54 HydrophobicContact CG-CG 4.36Å; P54-F74 WeakPolarHBondContact O-CE2 3.45Å; P54-L139 HydrophobicContact CB-CD1 3.7Å; P54-L139 HydrophobicContact CB-CG 4.29Å; P54-L139 HydrophobicContact CG-CD1 3.98Å
55Y94.3Very high95.9Very high133 Ų13348 Ų4852%0.52223%0.232SC..SBendtrans-124.8-12.9-171.9-51.7-64.3000114.5T53 F74 A133T53-Y55 PolarHBondContact O-N 2.87Å; T53-Y55 VanDerWaalsContact O-N 3.09Å; Y55-F74 VanDerWaalsContact C-CE2 3.4Å; Y55-F74 VanDerWaalsContact O-CD2 3.29Å; Y55-F74 WeakPolarHBondContact O-CD2 3.27Å; Y55-F74 WeakPolarHBondContact O-CG 3.35Å; Y55-F74 PolarHBondContact O-N 2.86Å; Y55-A133 HydrophobicContact CD1-CB 4.27Å
56R96.3Very high95.8Very high36 Ų3647.2 Ų47.214%0.13623%0.229CC..EExtended strand (participates in β ladder)trans-158.8159.4-16853.7-171.1179.3166.64.3113.8E19 T53 I58 M71 M72 P73E19-R56 IonicContact OE1-NE 3.13Å; E19-R56 PolarHBondContact OE1-NE 2.9Å; E19-R56 IonicContact OE2-CZ 2.68Å; E19-R56 IonicContact OE2-NE 2.74Å; E19-R56 PolarHBondContact OE2-NE 2.95Å; E19-R56 IonicContact OE2-NH2 2.99Å; E19-R56 PolarHBondContact OE2-NH2 3.35Å; T53-R56 PolarHBondContact N-O 2.85Å; T53-R56 WeakPolarHBondContact OG1-CG 3.39Å; T53-R56 PolarHBondContact OG1-N 3.1Å; T53-R56 VanDerWaalsContact OG1-N 3.13Å; T53-R56 PolarHBondContact OG1-O 2.84Å; R56-I58 HydrophobicContact CG-CG1 4.39Å; R56-M71 HydrophobicContact CB-CG 4.39Å; R56-M71 HydrophobicContact CB-SD 4.16Å; R56-M71 VanDerWaalsContact CD-SD 3.56Å; R56-M71 HydrophobicContact CG-CG 4.39Å; R56-M71 HydrophobicContact CG-SD 4.48Å; R56-M72 WeakPolarHBondContact CA-O 3.3Å; R56-M72 WeakPolarHBondContact CB-O 3.41Å; R56-P73 HydrophobicContact CB-CB 4.35Å
57V98.3Very high95.7Very high0 Ų046.9 Ų46.90%023%0.228CC..EExtended strand (participates in β ladder)trans-102135.7163.5-179.30000108.4V50 Y51 L52 M72 F74 M77 L112 F122 M126V50-V57 HydrophobicContact CG2-CG1 3.37Å; Y51-V57 CarbonylContact O-C 3.56Å; Y51-V57 WeakPolarHBondContact O-CA 3.38Å; L52-V57 HydrophobicContact CD1-CG2 4.1Å; V57-M72 HydrophobicContact CB-CB 4.49Å; V57-M72 HydrophobicContact CB-CE 4.14Å; V57-M72 HydrophobicContact CG1-CE 3.86Å; V57-M72 PolarHBondContact N-O 3.34Å; V57-M72 PolarHBondContact O-N 2.64Å; V57-F74 HydrophobicContact CG2-CE1 3.86Å; V57-M77 HydrophobicContact CG2-CE 4.15Å; V57-M77 HydrophobicContact CG2-SD 4.37Å; V57-L112 HydrophobicContact CG1-CD1 4.24Å; V57-F122 HydrophobicContact CG1-CZ 4.13Å; V57-M126 HydrophobicContact CG2-CG 3.88Å; V57-M126 HydrophobicContact CG2-SD 3.77Å
58I98.4Very high95.7Very high0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-120.1120.4173.2-53.4172.8000107.9N6 V13 I15 V50 Y51 R56 M71N6-I58 HydrophobicContact CB-CG2 3.84Å; V13-I58 HydrophobicContact CG2-CB 4.45Å; V13-I58 HydrophobicContact CG2-CD1 4.34Å; V13-I58 HydrophobicContact CG2-CG2 3.88Å; I15-I58 HydrophobicContact CG1-CD1 4.26Å; V50-I58 CarbonylContact C-O 3.54Å; V50-I58 WeakPolarHBondContact CA-O 3.28Å; Y51-I58 PolarHBondContact N-O 3.4Å; Y51-I58 PolarHBondContact O-N 2.86Å; R56-I58 HydrophobicContact CG-CG1 4.39Å; I58-M71 HydrophobicContact CG1-CB 4.37Å; I58-M71 HydrophobicContact CG1-CG 3.98Å
59F98.6Very high95.7Very high0 Ų043.4 Ų43.40%021%0.213CC..EExtended strand (participates in β ladder)trans-91.9133.7166.2-178.6-94.8000109.3L30 K46 A61 L67 S69 F70 L112L30-F59 HydrophobicContact CB-CD1 4.14Å; L30-F59 HydrophobicContact CB-CD2 3.81Å; L30-F59 HydrophobicContact CB-CE1 3.95Å; L30-F59 HydrophobicContact CB-CE2 3.61Å; L30-F59 HydrophobicContact CB-CG 4.06Å; L30-F59 HydrophobicContact CB-CZ 3.69Å; L30-F59 HydrophobicContact CD2-CB 4.03Å; L30-F59 HydrophobicContact CD2-CD1 3.54Å; L30-F59 HydrophobicContact CD2-CD2 4.27Å; L30-F59 HydrophobicContact CD2-CE1 4.02Å; L30-F59 HydrophobicContact CD2-CG 3.67Å; L30-F59 HydrophobicContact CG-CG 4.48Å; K46-F59 HydrophobicContact CB-CE1 3.67Å; K46-F59 HydrophobicContact CB-CZ 3.88Å; K46-F59 WeakPolarHBondContact O-CZ 3.25Å; F59-A61 HydrophobicContact CE1-CB 3.97Å; F59-L67 HydrophobicContact CD1-CD2 3.91Å; F59-L67 HydrophobicContact CE1-CD2 4.16Å; F59-S69 CarbonylContact O-C 3.48Å; F59-S69 WeakPolarHBondContact O-CA 3.33Å; F59-F70 HydrophobicContact CB-CB 4.47Å; F59-F70 PolarHBondContact N-O 2.79Å; F59-F70 PolarHBondContact O-N 2.86Å; F59-L112 HydrophobicContact CD2-CD2 4.17Å
60L98.3Very high95.7Very high13 Ų1342.5 Ų42.57%0.06821%0.206CC..EExtended strand (participates in β ladder)trans-118.8116.1174.9179.870.1000108.1H7 V13 G48 S49 Y51H7-L60 HydrophobicContact CB-CD1 3.54Å; V13-L60 HydrophobicContact CB-CD2 4.18Å; G48-L60 CarbonylContact C-O 3.48Å; G48-L60 WeakPolarHBondContact CA-O 3.33Å; S49-L60 PolarHBondContact N-O 2.79Å; S49-L60 PolarHBondContact O-N 2.91Å; Y51-L60 HydrophobicContact CD2-CB 4.46Å; Y51-L60 HydrophobicContact CE2-CB 3.91Å; Y51-L60 HydrophobicContact CE2-CD2 4.07Å
61A97.6Very high95.7Very high14 Ų1443.2 Ų43.212%0.11621%0.21CC..EExtended strand (participates in β ladder)trans-72.2147178.500000111.2F59 D65 L67 Q68F59-A61 HydrophobicContact CE1-CB 3.97Å; A61-D65 HydrophobicContact CB-CB 4.46Å; A61-L67 HydrophobicContact CB-CD2 4.48Å; A61-L67 WeakPolarHBondContact CB-O 3.4Å; A61-Q68 PolarHBondContact N-O 2.97Å
62K94.9Very high95.7Very high161 Ų16141.3 Ų41.370%0.720%0.203SC*.SBendtrans-89.7129.9174-176176.7-177172.90110K47K47-K62 WeakPolarHBondContact O-CB 3.26Å; K47-K62 PolarHBondContact O-N 3.06Å
63G88.8Confident95.6Very high63 Ų6341.7 Ų41.765%0.64921%0.205SC*.SBendtrans82.2-156.617700000112.7
64R85.7Confident95.7Very high256 Ų25642.6 Ų42.697%0.96621%0.209SC*.SBendtrans-98.3101.4179.7-67.2-175.3-177173.30.5109.6
65D91.3Very high95.8Very high47 Ų4749.6 Ų49.625%0.25123%0.234SC..  trans-124.1156.4172.1-167.8-68.6000109.3K46 A61 L67 Q68K46-D65 VanDerWaalsContact CD-CG 3.45Å; K46-D65 WeakPolarHBondContact CD-OD1 3.23Å; K46-D65 WeakPolarHBondContact CD-OD2 3.24Å; K46-D65 WeakPolarHBondContact CE-OD1 3.1Å; K46-D65 IonicContact NZ-OD1 2.82Å; K46-D65 PolarHBondContact NZ-OD1 2.86Å; K46-D65 IonicContact NZ-OD2 2.66Å; K46-D65 PolarHBondContact NZ-OD2 3.34Å; A61-D65 HydrophobicContact CB-CB 4.46Å; D65-L67 WeakPolarHBondContact CB-O 3.39Å; D65-L67 PolarHBondContact O-N 3.17Å; D65-L67 PolarHBondContact OD1-N 2.9Å; D65-Q68 WeakPolarHBondContact O-CG 3.46Å
66A94.1Very high96Very high38 Ų3844.5 Ų44.531%0.31422%0.216SC..SBendtrans-60.6-33.8173.100000111.9N4 E40 P41N4-A66 PolarHBondContact ND2-O 3.22Å; E40-A66 WeakPolarHBondContact OE2-CB 3.01Å; P41-A66 HydrophobicContact CB-CB 4.31Å; P41-A66 HydrophobicContact CG-CB 4.4Å
67L96.9Very high96.1Very high0 Ų043.7 Ų43.70%021%0.214CC..  trans-96.5108.6165.9-174.7161.2000108.7L3 L30 F32 P41 K46 F59 A61 D65 F70L3-L67 HydrophobicContact CD1-CD1 4.11Å; L3-L67 HydrophobicContact CD1-CG 3.91Å; L30-L67 HydrophobicContact CD2-CD1 4.45Å; F32-L67 HydrophobicContact CE2-CD1 3.83Å; F32-L67 HydrophobicContact CZ-CD1 4.17Å; P41-L67 HydrophobicContact CB-CB 4.11Å; P41-L67 VanDerWaalsContact O-CB 3.26Å; P41-L67 WeakPolarHBondContact O-CB 3.41Å; K46-L67 HydrophobicContact CD-CB 4.39Å; K46-L67 HydrophobicContact CG-CD2 4.47Å; F59-L67 HydrophobicContact CD1-CD2 3.91Å; F59-L67 HydrophobicContact CE1-CD2 4.16Å; A61-L67 HydrophobicContact CB-CD2 4.48Å; A61-L67 WeakPolarHBondContact CB-O 3.4Å; D65-L67 WeakPolarHBondContact CB-O 3.39Å; D65-L67 PolarHBondContact O-N 3.17Å; D65-L67 PolarHBondContact OD1-N 2.9Å; L67-F70 HydrophobicContact CD1-CB 4.31Å; L67-F70 HydrophobicContact CD2-CB 4.14Å; L67-F70 HydrophobicContact CG-CB 4.45Å
68Q97Very high96Very high75 Ų7550.1 Ų50.135%0.3524%0.242SC..  trans-97.1-39.5178.5-61.7-172.76.100111.7N4 H7 A61 D65N4-Q68 PolarHBondContact OD1-N 2.88Å; H7-Q68 PolarHBondContact CD2-OE1 3.42Å; H7-Q68 PolarHBondContact CE1-OE1 2.95Å; H7-Q68 PolarHBondContact NE2-OE1 3.39Å; A61-Q68 PolarHBondContact N-O 2.97Å; D65-Q68 WeakPolarHBondContact O-CG 3.46Å
69S97.7Very high95.9Very high0 Ų053.2 Ų53.20%027%0.274CS..EExtended strand (participates in β ladder)trans-146.9150.3170.554.20000112.3N4 Q5 N6 H7 F59N4-S69 PolarHBondContact N-O 3.5Å; N4-S69 PolarHBondContact OD1-N 3.13Å; N4-S69 PolarHBondContact OD1-O 2.85Å; Q5-S69 PolarHBondContact N-OG 3.36Å; N6-S69 PolarHBondContact N-OG 2.97Å; H7-S69 PolarHBondContact N-OG 2.82Å; H7-S69 PolarHBondContact ND1-OG 3.13Å; F59-S69 CarbonylContact O-C 3.48Å; F59-S69 WeakPolarHBondContact O-CA 3.33Å
70F98.2Very high95.9Very high0 Ų054.6 Ų54.60%028%0.283CS..EExtended strand (participates in β ladder)trans-140.8112.5179.4-171.5-122000110.3M1 L3 L30 F32 F42 F59 L67 M72 V96 W104M1-F70 HydrophobicContact CE-CE1 4.21Å; M1-F70 HydrophobicContact CE-CE2 3.93Å; M1-F70 HydrophobicContact CE-CZ 3.59Å; M1-F70 HydrophobicContact SD-CD2 4.08Å; M1-F70 HydrophobicContact SD-CE2 3.41Å; M1-F70 WeakPolarHBondContact SD-CE2 3.2Å; M1-F70 HydrophobicContact SD-CZ 3.75Å; L3-F70 HydrophobicContact CD1-CD2 3.97Å; L30-F70 HydrophobicContact CD2-CD1 4.34Å; F32-F70 HydrophobicContact CE1-CD1 4.42Å; F32-F70 AromaticContact CE1-CE1 3.9Å; F32-F70 HydrophobicContact CE1-CE1 3.9Å; F32-F70 HydrophobicContact CE1-CZ 4.4Å; F32-F70 HydrophobicContact CZ-CD1 4Å; F32-F70 AromaticContact CZ-CE1 3.91Å; F32-F70 HydrophobicContact CZ-CE1 3.91Å; F32-F70 HydrophobicContact CZ-CZ 4.46Å; F42-F70 HydrophobicContact CE1-CD2 4.21Å; F42-F70 HydrophobicContact CE1-CE1 4.46Å; F42-F70 AromaticContact CE1-CE2 3.62Å; F42-F70 HydrophobicContact CE1-CE2 3.62Å; F42-F70 AromaticContact CE1-CZ 3.78Å; F42-F70 HydrophobicContact CE1-CZ 3.78Å; F42-F70 HydrophobicContact CZ-CD2 4.35Å; F42-F70 AromaticContact CZ-CE2 3.79Å; F42-F70 HydrophobicContact CZ-CE2 3.79Å; F42-F70 HydrophobicContact CZ-CZ 4.35Å; F59-F70 HydrophobicContact CB-CB 4.47Å; F59-F70 PolarHBondContact N-O 2.79Å; F59-F70 PolarHBondContact O-N 2.86Å; L67-F70 HydrophobicContact CD1-CB 4.31Å; L67-F70 HydrophobicContact CD2-CB 4.14Å; L67-F70 HydrophobicContact CG-CB 4.45Å; F70-M72 HydrophobicContact CD1-CE 4.28Å; F70-M72 HydrophobicContact CD1-CG 3.62Å; F70-M72 HydrophobicContact CD1-SD 3.82Å; F70-M72 HydrophobicContact CE1-CG 3.4Å; F70-M72 VanDerWaalsContact CE1-CG 3.4Å; F70-M72 HydrophobicContact CE1-SD 3.58Å; F70-M72 VanDerWaalsContact CE1-SD 3.58Å; F70-M72 HydrophobicContact CZ-CG 4.19Å; F70-V96 HydrophobicContact CE1-CG1 3.97Å; F70-V96 HydrophobicContact CZ-CG1 3.89Å; F70-W104 AromaticContact CE2-CE2 3.97Å; F70-W104 HydrophobicContact CE2-CZ2 4.22Å; F70-W104 AromaticContact CE2-NE1 3.62Å; F70-W104 AromaticContact CZ-CZ2 3.94Å; F70-W104 HydrophobicContact CZ-CZ2 3.94Å
71M97.7Very high95.9Very high15 Ų1557.6 Ų57.67%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-101.7112.6-175.9-178.2-86.9-72.500111M1 T2 N6 R56 I58 P73M1-M71 VanDerWaalsContact CA-O 3.28Å; M1-M71 WeakPolarHBondContact CA-O 3.43Å; M1-M71 VanDerWaalsContact CE-O 3.31Å; M1-M71 WeakPolarHBondContact CE-O 3.19Å; M1-M71 VanDerWaalsContact N-CE 3.32Å; T2-M71 HydrophobicContact CG2-CE 4.03Å; T2-M71 PolarHBondContact N-O 3.09Å; T2-M71 PolarHBondContact O-N 3.23Å; T2-M71 WeakPolarHBondContact OG1-CB 3.25Å; T2-M71 VanDerWaalsContact OG1-CE 3.3Å; T2-M71 WeakPolarHBondContact OG1-CE 3.49Å; N6-M71 WeakPolarHBondContact OD1-CB 3.27Å; R56-M71 HydrophobicContact CB-CG 4.39Å; R56-M71 HydrophobicContact CB-SD 4.16Å; R56-M71 VanDerWaalsContact CD-SD 3.56Å; R56-M71 HydrophobicContact CG-CG 4.39Å; R56-M71 HydrophobicContact CG-SD 4.48Å; I58-M71 HydrophobicContact CG1-CB 4.37Å; I58-M71 HydrophobicContact CG1-CG 3.98Å; M71-P73 WeakPolarHBondContact O-CD 3.33Å; M71-P73 HydrophobicContact SD-CB 4.21Å; M71-P73 HydrophobicContact SD-CG 4.27Å
72M98.1Very high95.9Very high0 Ų059 Ų590%030%0.302CS..EExtended strand (participates in β ladder)trans-106.5102.2-179-60.4176.6-7700110.2M1 R56 V57 F70 M77 V96 F110 L112M1-M72 HydrophobicContact CE-CB 4.23Å; M1-M72 HydrophobicContact CE-CG 3.87Å; R56-M72 WeakPolarHBondContact CA-O 3.3Å; R56-M72 WeakPolarHBondContact CB-O 3.41Å; V57-M72 HydrophobicContact CB-CB 4.49Å; V57-M72 HydrophobicContact CB-CE 4.14Å; V57-M72 HydrophobicContact CG1-CE 3.86Å; V57-M72 PolarHBondContact N-O 3.34Å; V57-M72 PolarHBondContact O-N 2.64Å; F70-M72 HydrophobicContact CD1-CE 4.28Å; F70-M72 HydrophobicContact CD1-CG 3.62Å; F70-M72 HydrophobicContact CD1-SD 3.82Å; F70-M72 HydrophobicContact CE1-CG 3.4Å; F70-M72 VanDerWaalsContact CE1-CG 3.4Å; F70-M72 HydrophobicContact CE1-SD 3.58Å; F70-M72 VanDerWaalsContact CE1-SD 3.58Å; F70-M72 HydrophobicContact CZ-CG 4.19Å; M72-M77 HydrophobicContact CB-CE 4.34Å; M72-M77 HydrophobicContact CB-CG 4.03Å; M72-M77 HydrophobicContact CB-SD 3.7Å; M72-V96 HydrophobicContact CB-CG2 4.2Å; M72-V96 HydrophobicContact CG-CG1 4.43Å; M72-V96 HydrophobicContact CG-CG2 4.13Å; M72-V96 HydrophobicContact SD-CG1 4.37Å; M72-F110 HydrophobicContact SD-CD1 3.88Å; M72-F110 HydrophobicContact SD-CD2 4.32Å; M72-F110 HydrophobicContact SD-CE1 4.01Å; M72-F110 HydrophobicContact SD-CE2 4.45Å; M72-F110 HydrophobicContact SD-CG 4.06Å; M72-F110 HydrophobicContact SD-CZ 4.32Å; M72-L112 HydrophobicContact CE-CD1 4.46Å
73P96.9Very high96.1Very high7 Ų754.6 Ų54.65%0.04528%0.283CS..EExtended strand (participates in β ladder)trans-77.2145.6175.435.1-35.5000110.8M1 R56 M71 Y75 L76 M77M1-P73 HydrophobicContact CB-CG 4.21Å; R56-P73 HydrophobicContact CB-CB 4.35Å; M71-P73 WeakPolarHBondContact O-CD 3.33Å; M71-P73 HydrophobicContact SD-CB 4.21Å; M71-P73 HydrophobicContact SD-CG 4.27Å; P73-Y75 VanDerWaalsContact C-N 3.26Å; P73-Y75 HydrophobicContact CB-CD1 3.8Å; P73-Y75 HydrophobicContact CB-CE1 3.49Å; P73-Y75 VanDerWaalsContact CB-CE1 3.49Å; P73-Y75 HydrophobicContact CG-CD1 4.21Å; P73-Y75 HydrophobicContact CG-CE1 3.71Å; P73-Y75 PolarHBondContact O-N 2.77Å; P73-Y75 VanDerWaalsContact O-N 3.17Å; P73-L76 HydrophobicContact CG-CB 4.09Å; P73-L76 HydrophobicContact CG-CD1 3.58Å; P73-L76 HydrophobicContact CG-CG 3.91Å; P73-L76 PolarHBondContact O-N 2.85Å; P73-M77 WeakPolarHBondContact O-CG 3.19Å; P73-M77 PolarHBondContact O-N 2.89Å
74F97.1Very high96.5Very high19 Ų1957.4 Ų57.48%0.08328%0.279CS..G310 helixtrans-59.3-34.7-171.9-62.2-41000113.8L52 P54 Y55 V57 L76 M77 M126 A129 A130 A133L52-F74 HydrophobicContact CD1-CE1 4.1Å; L52-F74 HydrophobicContact CD1-CZ 3.66Å; P54-F74 WeakPolarHBondContact O-CE2 3.45Å; Y55-F74 VanDerWaalsContact C-CE2 3.4Å; Y55-F74 VanDerWaalsContact O-CD2 3.29Å; Y55-F74 WeakPolarHBondContact O-CD2 3.27Å; Y55-F74 WeakPolarHBondContact O-CG 3.35Å; Y55-F74 PolarHBondContact O-N 2.86Å; V57-F74 HydrophobicContact CG2-CE1 3.86Å; F74-L76 PolarHBondContact O-N 2.83Å; F74-M77 HydrophobicContact CD1-SD 3.94Å; F74-M77 PolarHBondContact O-N 2.88Å; F74-M77 VanDerWaalsContact O-N 3.1Å; F74-M126 HydrophobicContact CE1-CG 3.79Å; F74-M126 HydrophobicContact CZ-CG 4.47Å; F74-A129 HydrophobicContact CE2-CB 3.77Å; F74-A129 HydrophobicContact CZ-CB 3.94Å; F74-A130 HydrophobicContact CB-CB 3.88Å; F74-A130 HydrophobicContact CD1-CB 3.93Å; F74-A130 HydrophobicContact CD2-CB 3.97Å; F74-A130 HydrophobicContact CE1-CB 4.46Å; F74-A130 HydrophobicContact CE2-CB 4.48Å; F74-A130 HydrophobicContact CG-CB 3.67Å; F74-A133 HydrophobicContact CD2-CB 3.97Å
75Y96.3Very high97Very high165 Ų16547.5 Ų47.565%0.64725%0.248SC*.G310 helixtrans-68.8-17.3-179.370.6-93.3000114P73 E99P73-Y75 VanDerWaalsContact C-N 3.26Å; P73-Y75 HydrophobicContact CB-CD1 3.8Å; P73-Y75 HydrophobicContact CB-CE1 3.49Å; P73-Y75 VanDerWaalsContact CB-CE1 3.49Å; P73-Y75 HydrophobicContact CG-CD1 4.21Å; P73-Y75 HydrophobicContact CG-CE1 3.71Å; P73-Y75 PolarHBondContact O-N 2.77Å; P73-Y75 VanDerWaalsContact O-N 3.17Å; Y75-E99 PolarHBondContact OH-OE2 3.38Å
76L97.5Very high97.1Very high26 Ų2652.4 Ų52.414%0.13628%0.279CS..G310 helixtrans-98.9-7.5173.9-63.2175.2000112.9M1 P73 F74 V96 S97 E99M1-L76 HydrophobicContact CB-CD1 3.47Å; M1-L76 VanDerWaalsContact CB-CD1 3.47Å; P73-L76 HydrophobicContact CG-CB 4.09Å; P73-L76 HydrophobicContact CG-CD1 3.58Å; P73-L76 HydrophobicContact CG-CG 3.91Å; P73-L76 PolarHBondContact O-N 2.85Å; F74-L76 PolarHBondContact O-N 2.83Å; L76-V96 HydrophobicContact CB-CG2 4.23Å; L76-V96 WeakPolarHBondContact O-CA 3.46Å; L76-S97 PolarHBondContact O-N 3.39Å; L76-S97 VanDerWaalsContact O-N 3.08Å; L76-E99 HydrophobicContact CD1-CB 3.92Å; L76-E99 HydrophobicContact CD1-CG 4.47Å; L76-E99 WeakPolarHBondContact CD1-OE2 3.11Å
77M98.1Very high97Very high18 Ų1858.2 Ų58.29%0.08930%0.304CS..EExtended strand (participates in β ladder)trans-90.5137.2178.1-64.4170.177.900110.2V57 M72 P73 F74 T95 V96 F110 M126V57-M77 HydrophobicContact CG2-CE 4.15Å; V57-M77 HydrophobicContact CG2-SD 4.37Å; M72-M77 HydrophobicContact CB-CE 4.34Å; M72-M77 HydrophobicContact CB-CG 4.03Å; M72-M77 HydrophobicContact CB-SD 3.7Å; P73-M77 WeakPolarHBondContact O-CG 3.19Å; P73-M77 PolarHBondContact O-N 2.89Å; F74-M77 HydrophobicContact CD1-SD 3.94Å; F74-M77 PolarHBondContact O-N 2.88Å; F74-M77 VanDerWaalsContact O-N 3.1Å; M77-T95 CarbonylContact C-O 3.44Å; M77-T95 VanDerWaalsContact CA-O 3.28Å; M77-T95 WeakPolarHBondContact CA-O 3.48Å; M77-V96 HydrophobicContact CG-CB 4.45Å; M77-V96 HydrophobicContact CG-CG2 4Å; M77-F110 HydrophobicContact CE-CE1 3.97Å; M77-F110 HydrophobicContact CE-CE2 4.33Å; M77-F110 HydrophobicContact CE-CZ 3.44Å; M77-F110 VanDerWaalsContact CE-CZ 3.44Å; M77-M126 HydrophobicContact CE-SD 4.01Å
78K97.1Very high96.8Very high135 Ų13561.3 Ų61.359%0.58734%0.336SS*.EExtended strand (participates in β ladder)trans-138.3149.9178.3-62.5-177.8-179.3177.90111.6C80 T95K78-C80 VanDerWaalsContact C-N 3.26Å; K78-C80 PolarHBondContact O-N 3.25Å; K78-T95 WeakPolarHBondContact CB-OG1 3.26Å; K78-T95 PolarHBondContact N-O 2.9Å; K78-T95 PolarHBondContact O-N 3.29Å; K78-T95 PolarHBondContact O-OG1 3.2Å
79G96.9Very high96.8Very high65 Ų6559.3 Ų59.367%0.6733%0.333SS*.EExtended strand (participates in β ladder)trans61.933.517500000113.4E81G79-E81 PolarHBondContact O-N 3.04Å
80C97.8Very high96.8Very high30 Ų3061.4 Ų61.420%0.20334%0.344CS..EExtended strand (participates in β ladder)trans-69.5122.2178.6-67.30000110.6K78 K93 M126 L127K78-C80 VanDerWaalsContact C-N 3.26Å; K78-C80 PolarHBondContact O-N 3.25Å; C80-K93 CarbonylContact C-O 3.56Å; C80-K93 VanDerWaalsContact CA-O 3.24Å; C80-K93 WeakPolarHBondContact CA-O 3.34Å; C80-M126 HydrophobicContact CB-CE 3.79Å; C80-L127 HydrophobicContact CB-CD2 3.9Å
81E97.6Very high96.8Very high76 Ų7663.8 Ų63.836%0.35535%0.353SS..EExtended strand (participates in β ladder)trans-139.5143.9-17854.9177.4-176.100111.4G79 K83 I92 K93G79-E81 PolarHBondContact O-N 3.04Å; E81-K83 WeakPolarHBondContact OE1-CE 3.33Å; E81-K83 IonicContact OE1-NZ 3.3Å; E81-K83 PolarHBondContact OE1-NZ 3Å; E81-K83 WeakPolarHBondContact OE2-CE 3.28Å; E81-K83 IonicContact OE2-NZ 2.93Å; E81-K83 PolarHBondContact OE2-NZ 3.4Å; E81-I92 WeakPolarHBondContact O-CA 3.44Å; E81-K93 HydrophobicContact CG-CB 4.24Å; E81-K93 PolarHBondContact N-O 3.26Å; E81-K93 PolarHBondContact O-N 3.06Å
82I98.4Very high96.9Very high43 Ų4363.1 Ų63.122%0.22135%0.35CS..EExtended strand (participates in β ladder)trans-88.6122.9173.9-51.7169.7000107.5Q84 I92 I120 Q124I82-Q84 HydrophobicContact CG2-CG 4.38Å; I82-I92 HydrophobicContact CG1-CG1 4.47Å; I82-I120 HydrophobicContact CG2-CG1 4.47Å; I82-Q124 HydrophobicContact CD1-CG 3.92Å
83K98.1Very high96.9Very high69 Ų6966.4 Ų66.430%0.336%0.364SS..EExtended strand (participates in β ladder)trans-107.3127.4176.9-67.4-72.7-178.1-1680109.8E81 P85 N90 Y91E81-K83 WeakPolarHBondContact OE1-CE 3.33Å; E81-K83 IonicContact OE1-NZ 3.3Å; E81-K83 PolarHBondContact OE1-NZ 3Å; E81-K83 WeakPolarHBondContact OE2-CE 3.28Å; E81-K83 IonicContact OE2-NZ 2.93Å; E81-K83 PolarHBondContact OE2-NZ 3.4Å; K83-P85 WeakPolarHBondContact O-CD 3.11Å; K83-N90 WeakPolarHBondContact O-CA 3.43Å; K83-Y91 HydrophobicContact CB-CD1 3.98Å; K83-Y91 HydrophobicContact CB-CD2 3.92Å; K83-Y91 HydrophobicContact CB-CE1 3.58Å; K83-Y91 HydrophobicContact CB-CE2 3.52Å; K83-Y91 HydrophobicContact CB-CG 4.13Å; K83-Y91 HydrophobicContact CG-CD2 4.18Å; K83-Y91 HydrophobicContact CG-CE1 4.35Å; K83-Y91 HydrophobicContact CG-CE2 3.5Å; K83-Y91 VanDerWaalsContact CG-CE2 3.5Å; K83-Y91 PolarHBondContact N-O 2.87Å; K83-Y91 PolarHBondContact O-N 2.86Å
84Q97.6Very high97Very high122 Ų12266.1 Ų66.157%0.5736%0.363SS*.  trans-118.876.8178.7-61.1176.8-89.800109.3I82 N90 I120I82-Q84 HydrophobicContact CG2-CG 4.38Å; Q84-N90 WeakPolarHBondContact CA-OD1 3.46Å; Q84-I120 HydrophobicContact CG-CG1 4.4Å
85P96.1Very high97Very high48 Ų4867.4 Ų67.431%0.31237%0.372SS..  trans-64.5143.6176.330.2-34.5000110.1K83 L87 A89 Y91K83-P85 WeakPolarHBondContact O-CD 3.11Å; P85-L87 PolarHBondContact O-N 3.17Å; P85-A89 WeakPolarHBondContact CG-O 3.26Å; P85-Y91 HydrophobicContact CG-CE1 4.23Å
86V94.5Very high97.1Very high150 Ų15059.6 Ų59.691%0.90934%0.341SS*.SBendtrans-62.5-32.6176.1-178.70000111
87L91.8Very high97.1Very high159 Ų15960.1 Ų60.183%0.83235%0.348SS*.SBendtrans-121.3119.1176.7-61.6176.9000109.4P85P85-L87 PolarHBondContact O-N 3.17Å
88G92.9Very high97.1Very high66 Ų6660.4 Ų60.468%0.6835%0.352SS*.SBendtrans113.4-179.517900000113.4
89A96.3Very high96.9Very high33 Ų3356.3 Ų56.327%0.27334%0.336SS..  trans-77.9145.4-179.300000111.6P85 V113 A115P85-A89 WeakPolarHBondContact CG-O 3.26Å; A89-V113 HydrophobicContact CB-CG1 3.64Å; A89-A115 HydrophobicContact CB-CB 4.41Å
90N98.2Very high96.8Very high43 Ų4359.5 Ų59.523%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-66.8144.3170.3-64.2-21.5000109.8K83 Q84 F114 A119K83-N90 WeakPolarHBondContact O-CA 3.43Å; Q84-N90 WeakPolarHBondContact CA-OD1 3.46Å; N90-F114 PolarHBondContact O-N 2.59Å; N90-A119 HydrophobicContact CB-CB 3.49Å; N90-A119 VanDerWaalsContact CB-CB 3.49Å
91Y98.6Very high96.6Very high51 Ų5162.1 Ų62.120%0.238%0.376CS..EExtended strand (participates in β ladder)trans-144.9156.5-179.164-88.3000112K83 P85 K93 K111 L112K83-Y91 HydrophobicContact CB-CD1 3.98Å; K83-Y91 HydrophobicContact CB-CD2 3.92Å; K83-Y91 HydrophobicContact CB-CE1 3.58Å; K83-Y91 HydrophobicContact CB-CE2 3.52Å; K83-Y91 HydrophobicContact CB-CG 4.13Å; K83-Y91 HydrophobicContact CG-CD2 4.18Å; K83-Y91 HydrophobicContact CG-CE1 4.35Å; K83-Y91 HydrophobicContact CG-CE2 3.5Å; K83-Y91 VanDerWaalsContact CG-CE2 3.5Å; K83-Y91 PolarHBondContact N-O 2.87Å; K83-Y91 PolarHBondContact O-N 2.86Å; P85-Y91 HydrophobicContact CG-CE1 4.23Å; Y91-K93 HydrophobicContact CD2-CB 4.11Å; Y91-K93 HydrophobicContact CE2-CB 3.95Å; Y91-K111 HydrophobicContact CD2-CB 4.25Å; Y91-K111 HydrophobicContact CD2-CD 4.07Å; Y91-K111 HydrophobicContact CD2-CG 3.94Å; Y91-K111 HydrophobicContact CE2-CD 3.99Å; Y91-K111 HydrophobicContact CE2-CG 4.13Å; Y91-L112 CarbonylContact C-O 3.52Å; Y91-L112 WeakPolarHBondContact CA-O 3.43Å; Y91-L112 VanDerWaalsContact CB-O 3.23Å; Y91-L112 WeakPolarHBondContact CB-O 3.33Å
92I98.7Very high96.4Very high0 Ų058.6 Ų58.60%036%0.36CS..EExtended strand (participates in β ladder)trans-102.5127.9170.7-61.9165.3000107.1E81 I82 K111 L112 F114 F122 G123 M126E81-I92 WeakPolarHBondContact O-CA 3.44Å; I82-I92 HydrophobicContact CG1-CG1 4.47Å; I92-K111 CarbonylContact O-C 3.59Å; I92-K111 VanDerWaalsContact O-CA 3.25Å; I92-K111 WeakPolarHBondContact O-CA 3.18Å; I92-L112 HydrophobicContact CB-CB 4.41Å; I92-L112 PolarHBondContact N-O 2.81Å; I92-L112 PolarHBondContact O-N 3.3Å; I92-F114 HydrophobicContact CD1-CE2 3.8Å; I92-F114 HydrophobicContact CD1-CZ 4.08Å; I92-F114 HydrophobicContact CG1-CE2 4.17Å; I92-F122 HydrophobicContact CD1-CD1 3.42Å; I92-F122 VanDerWaalsContact CD1-CD1 3.42Å; I92-F122 HydrophobicContact CD1-CE1 4.1Å; I92-F122 HydrophobicContact CD1-CG 4.42Å; I92-G123 VanDerWaalsContact CD1-CA 3.44Å; I92-M126 HydrophobicContact CG2-CE 3.64Å; I92-M126 HydrophobicContact CG2-SD 4.34Å
93K98.4Very high96.2Very high69 Ų6959.3 Ų59.330%0.338%0.379SS..EExtended strand (participates in β ladder)trans-114.5141.5177.3-173.7-175.6176.6-167.20109.4C80 E81 Y91 F110 K111C80-K93 CarbonylContact C-O 3.56Å; C80-K93 VanDerWaalsContact CA-O 3.24Å; C80-K93 WeakPolarHBondContact CA-O 3.34Å; E81-K93 HydrophobicContact CG-CB 4.24Å; E81-K93 PolarHBondContact N-O 3.26Å; E81-K93 PolarHBondContact O-N 3.06Å; Y91-K93 HydrophobicContact CD2-CB 4.11Å; Y91-K93 HydrophobicContact CE2-CB 3.95Å; K93-F110 WeakPolarHBondContact CA-O 3.4Å; K93-K111 HydrophobicContact CB-CG 4.34Å; K93-K111 HydrophobicContact CG-CG 4.14Å
94G98.4Very high96Very high2 Ų256.8 Ų56.82%0.02137%0.367CS..EExtended strand (participates in β ladder)trans-162.8-178.8171.700000111.5T109 F110G94-T109 CarbonylContact O-C 3.54Å; G94-T109 WeakPolarHBondContact O-CA 3.46Å; G94-F110 VanDerWaalsContact C-CE1 3.5Å; G94-F110 PolarHBondContact N-O 2.82Å; G94-F110 VanDerWaalsContact N-O 3.13Å; G94-F110 WeakPolarHBondContact O-CD1 3.47Å; G94-F110 PolarHBondContact O-N 2.66Å
95T98.4Very high95.9Very high46 Ų4659.1 Ų59.128%0.28238%0.378SS..EExtended strand (participates in β ladder)trans-113.5148.1168.857.30000108.9M77 K78 A108 T109M77-T95 CarbonylContact C-O 3.44Å; M77-T95 VanDerWaalsContact CA-O 3.28Å; M77-T95 WeakPolarHBondContact CA-O 3.48Å; K78-T95 WeakPolarHBondContact CB-OG1 3.26Å; K78-T95 PolarHBondContact N-O 2.9Å; K78-T95 PolarHBondContact O-N 3.29Å; K78-T95 PolarHBondContact O-OG1 3.2Å; T95-A108 CarbonylContact C-O 3.59Å; T95-A108 WeakPolarHBondContact CA-O 3.29Å; T95-T109 HydrophobicContact CG2-CG2 4.45Å
96V98.2Very high95.9Very high0 Ų059.3 Ų59.30%039%0.389CS..EExtended strand (participates in β ladder)trans-134139.2172.971.20000109.8M1 F70 M72 L76 M77 W104 S107 A108 F110M1-V96 HydrophobicContact CE-CB 4.27Å; M1-V96 HydrophobicContact CE-CG1 4.09Å; M1-V96 HydrophobicContact CE-CG2 3.22Å; F70-V96 HydrophobicContact CE1-CG1 3.97Å; F70-V96 HydrophobicContact CZ-CG1 3.89Å; M72-V96 HydrophobicContact CB-CG2 4.2Å; M72-V96 HydrophobicContact CG-CG1 4.43Å; M72-V96 HydrophobicContact CG-CG2 4.13Å; M72-V96 HydrophobicContact SD-CG1 4.37Å; L76-V96 HydrophobicContact CB-CG2 4.23Å; L76-V96 WeakPolarHBondContact O-CA 3.46Å; M77-V96 HydrophobicContact CG-CB 4.45Å; M77-V96 HydrophobicContact CG-CG2 4Å; V96-W104 HydrophobicContact CG1-CH2 4.41Å; V96-W104 HydrophobicContact CG1-CZ2 4.27Å; V96-S107 CarbonylContact O-C 3.48Å; V96-S107 VanDerWaalsContact O-CA 3.23Å; V96-S107 WeakPolarHBondContact O-CA 3.43Å; V96-S107 WeakPolarHBondContact O-CB 3.34Å; V96-S107 PolarHBondContact O-OG 3.47Å; V96-A108 HydrophobicContact CG1-CB 4.4Å; V96-A108 PolarHBondContact N-O 2.96Å; V96-A108 PolarHBondContact O-N 2.96Å; V96-F110 HydrophobicContact CB-CD1 4.23Å; V96-F110 HydrophobicContact CB-CE1 4.31Å; V96-F110 HydrophobicContact CG1-CD1 4.2Å
97S97.6Very high96Very high38 Ų3854.7 Ų54.727%0.26636%0.363SS..EExtended strand (participates in β ladder)trans-100.8143.4176.4-56.40000110.4L76L76-S97 PolarHBondContact O-N 3.39Å; L76-S97 VanDerWaalsContact O-N 3.08Å
98A96.5Very high96.2Very high23 Ų2347.1 Ų47.119%0.1932%0.323CS..  trans-66.7157169.900000110.7W104 G106A98-W104 HydrophobicContact CB-CD2 3.81Å; A98-W104 HydrophobicContact CB-CE3 4.12Å; A98-W104 HydrophobicContact CB-CG 4.36Å; A98-W104 HydrophobicContact CB-CH2 4.12Å; A98-W104 HydrophobicContact CB-CZ2 3.8Å; A98-W104 HydrophobicContact CB-CZ3 4.27Å; A98-W104 WeakPolarHBondContact CB-O 3.46Å; A98-G106 WeakPolarHBondContact CB-O 3.01Å; A98-G106 PolarHBondContact N-O 2.78Å
99E93.6Very high96.5Very high50 Ų5045.6 Ų45.623%0.23430%0.301CS..  trans-121.4155.6169.377.4-172.1-176.800109.8M1 Y75 L76 G101 G102M1-E99 HydrophobicContact CB-CB 4.42Å; M1-E99 HydrophobicContact CB-CG 3.9Å; M1-E99 PolarHBondContact N-OE1 3.47Å; M1-E99 PolarHBondContact N-OE2 3.43Å; Y75-E99 PolarHBondContact OH-OE2 3.38Å; L76-E99 HydrophobicContact CD1-CB 3.92Å; L76-E99 HydrophobicContact CD1-CG 4.47Å; L76-E99 WeakPolarHBondContact CD1-OE2 3.11Å; E99-G101 PolarHBondContact O-N 2.82Å; E99-G102 PolarHBondContact O-N 2.92Å
100P94.6Very high96.6Very high132 Ų13244 Ų4486%0.85729%0.288SS*.THydrogen-bonded Turntrans-52.5129.5174-2635.2000111.6G102P100-G102 VanDerWaalsContact C-N 3.27Å; P100-G102 PolarHBondContact O-N 3.45Å
101G93.2Very high96.6Very high84 Ų8444.9 Ų44.987%0.86629%0.289SS*.THydrogen-bonded Turntrans78.42.4-178.200000115.2E99 G103E99-G101 PolarHBondContact O-N 2.82Å; G101-G103 PolarHBondContact O-N 3.49Å
102G93.4Very high96.6Very high2 Ų242.4 Ų42.42%0.02128%0.28CS..SBendtrans-75.51.8179.900000115.7M1 T2 L3 E99 P100M1-G102 WeakPolarHBondContact O-CA 3.27Å; T2-G102 CarbonylContact C-O 3.56Å; T2-G102 WeakPolarHBondContact CA-O 3.46Å; L3-G102 PolarHBondContact N-O 2.93Å; E99-G102 PolarHBondContact O-N 2.92Å; P100-G102 VanDerWaalsContact C-N 3.27Å; P100-G102 PolarHBondContact O-N 3.45Å
103G94.6Very high96.6Very high59 Ų5943.6 Ų43.661%0.60829%0.287SS*.SBendtrans835.6178.200000115.5G101G101-G103 PolarHBondContact O-N 3.49Å
104W95Very high96.6Very high16 Ų1640.5 Ų40.56%0.06127%0.274CS..SBendtrans-159.4171.1173.571.5-70.1000110.1M1 L3 L38 F42 F70 V96 A98 A108M1-W104 HydrophobicContact CE-CZ2 4.26Å; M1-W104 HydrophobicContact SD-CZ2 4.43Å; M1-W104 PolarHBondContact SD-NE1 3.21Å; L3-W104 HydrophobicContact CD2-CB 4.37Å; L38-W104 HydrophobicContact CD2-CZ3 4.05Å; F42-W104 HydrophobicContact CE1-CD2 4.35Å; F42-W104 HydrophobicContact CE1-CE3 4.46Å; F42-W104 HydrophobicContact CE2-CB 3.94Å; F42-W104 HydrophobicContact CE2-CD2 4.19Å; F42-W104 HydrophobicContact CE2-CE3 4.32Å; F42-W104 HydrophobicContact CE2-CG 4.03Å; F42-W104 HydrophobicContact CZ-CB 4.1Å; F42-W104 AromaticContact CZ-CD2 3.61Å; F42-W104 HydrophobicContact CZ-CD2 3.61Å; F42-W104 AromaticContact CZ-CE3 3.95Å; F42-W104 HydrophobicContact CZ-CE3 3.95Å; F42-W104 AromaticContact CZ-CG 3.67Å; F42-W104 HydrophobicContact CZ-CG 3.67Å; F70-W104 AromaticContact CE2-CE2 3.97Å; F70-W104 HydrophobicContact CE2-CZ2 4.22Å; F70-W104 AromaticContact CE2-NE1 3.62Å; F70-W104 AromaticContact CZ-CZ2 3.94Å; F70-W104 HydrophobicContact CZ-CZ2 3.94Å; V96-W104 HydrophobicContact CG1-CH2 4.41Å; V96-W104 HydrophobicContact CG1-CZ2 4.27Å; A98-W104 HydrophobicContact CB-CD2 3.81Å; A98-W104 HydrophobicContact CB-CE3 4.12Å; A98-W104 HydrophobicContact CB-CG 4.36Å; A98-W104 HydrophobicContact CB-CH2 4.12Å; A98-W104 HydrophobicContact CB-CZ2 3.8Å; A98-W104 HydrophobicContact CB-CZ3 4.27Å; A98-W104 WeakPolarHBondContact CB-O 3.46Å; W104-A108 HydrophobicContact CH2-CB 3.92Å; W104-A108 HydrophobicContact CZ3-CB 4.15Å
105E95.3Very high96.4Very high171 Ų17144.5 Ų44.580%0.79931%0.306SS*.  trans-130.8154.6-179.7-65.9-173.9172.500112.1
106G95.1Very high96.2Very high52 Ų5246.2 Ų46.254%0.53633%0.325SS..SBendtrans98.5-147176.700000113.9A98A98-G106 WeakPolarHBondContact CB-O 3.01Å; A98-G106 PolarHBondContact N-O 2.78Å
107S97Very high96.1Very high52 Ų5248 Ų4836%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-140.8152.5176.7-177.10000109.5V96V96-S107 CarbonylContact O-C 3.48Å; V96-S107 VanDerWaalsContact O-CA 3.23Å; V96-S107 WeakPolarHBondContact O-CA 3.43Å; V96-S107 WeakPolarHBondContact O-CB 3.34Å; V96-S107 PolarHBondContact O-OG 3.47Å
108A97.3Very high96Very high0 Ų047.2 Ų47.20%034%0.342CS..EExtended strand (participates in β ladder)trans-133.1141.4-179.400000110.8F32 L38 T95 V96 W104F32-A108 HydrophobicContact CD1-CB 3.75Å; F32-A108 HydrophobicContact CE1-CB 4.1Å; L38-A108 HydrophobicContact CD1-CB 3.56Å; L38-A108 HydrophobicContact CD2-CB 4.01Å; L38-A108 HydrophobicContact CG-CB 4.45Å; T95-A108 CarbonylContact C-O 3.59Å; T95-A108 WeakPolarHBondContact CA-O 3.29Å; V96-A108 HydrophobicContact CG1-CB 4.4Å; V96-A108 PolarHBondContact N-O 2.96Å; V96-A108 PolarHBondContact O-N 2.96Å; W104-A108 HydrophobicContact CH2-CB 3.92Å; W104-A108 HydrophobicContact CZ3-CB 4.15Å
109T98.4Very high96Very high34 Ų3446.2 Ų46.221%0.20933%0.333CS..EExtended strand (participates in β ladder)trans-95.1105.2171-57.30000109.4F32 C33 D34 G94 T95F32-T109 CarbonylContact C-O 3.51Å; F32-T109 WeakPolarHBondContact CA-O 3.23Å; C33-T109 HydrophobicContact CB-CG2 4.11Å; C33-T109 PolarHBondContact N-O 2.68Å; D34-T109 PolarHBondContact OD1-N 2.85Å; D34-T109 PolarHBondContact OD2-N 2.84Å; G94-T109 CarbonylContact O-C 3.54Å; G94-T109 WeakPolarHBondContact O-CA 3.46Å; T95-T109 HydrophobicContact CG2-CG2 4.45Å
110F98.4Very high96.2Very high0 Ų046.6 Ų46.60%034%0.336CS..EExtended strand (participates in β ladder)trans-96.3155.3-176.372.6-91.8000112.5L30 V31 F32 M72 M77 K93 G94 V96 L112L30-F110 HydrophobicContact CD1-CB 4Å; V31-F110 CarbonylContact O-C 3.6Å; V31-F110 WeakPolarHBondContact O-CA 3.47Å; F32-F110 HydrophobicContact CD1-CB 4.09Å; F32-F110 HydrophobicContact CE1-CB 4.03Å; M72-F110 HydrophobicContact SD-CD1 3.88Å; M72-F110 HydrophobicContact SD-CD2 4.32Å; M72-F110 HydrophobicContact SD-CE1 4.01Å; M72-F110 HydrophobicContact SD-CE2 4.45Å; M72-F110 HydrophobicContact SD-CG 4.06Å; M72-F110 HydrophobicContact SD-CZ 4.32Å; M77-F110 HydrophobicContact CE-CE1 3.97Å; M77-F110 HydrophobicContact CE-CE2 4.33Å; M77-F110 HydrophobicContact CE-CZ 3.44Å; M77-F110 VanDerWaalsContact CE-CZ 3.44Å; K93-F110 WeakPolarHBondContact CA-O 3.4Å; G94-F110 VanDerWaalsContact C-CE1 3.5Å; G94-F110 PolarHBondContact N-O 2.82Å; G94-F110 VanDerWaalsContact N-O 3.13Å; G94-F110 WeakPolarHBondContact O-CD1 3.47Å; G94-F110 PolarHBondContact O-N 2.66Å; V96-F110 HydrophobicContact CB-CD1 4.23Å; V96-F110 HydrophobicContact CB-CE1 4.31Å; V96-F110 HydrophobicContact CG1-CD1 4.2Å; F110-L112 HydrophobicContact CD2-CG 4.13Å; F110-L112 HydrophobicContact CE2-CD1 4.21Å; F110-L112 HydrophobicContact CE2-CG 4.27Å
111K98.5Very high96.3Very high61 Ų6144.7 Ų44.727%0.26532%0.316SS..EExtended strand (participates in β ladder)trans-128.8129.8163.5-67.5175.6178.6172.10109.1L30 V31 C33 Y91 I92 K93 V113L30-K111 WeakPolarHBondContact CA-O 3.4Å; V31-K111 HydrophobicContact CB-CB 4.35Å; V31-K111 PolarHBondContact N-O 3.41Å; V31-K111 PolarHBondContact O-N 2.93Å; C33-K111 VanDerWaalsContact SG-CE 3.52Å; Y91-K111 HydrophobicContact CD2-CB 4.25Å; Y91-K111 HydrophobicContact CD2-CD 4.07Å; Y91-K111 HydrophobicContact CD2-CG 3.94Å; Y91-K111 HydrophobicContact CE2-CD 3.99Å; Y91-K111 HydrophobicContact CE2-CG 4.13Å; I92-K111 CarbonylContact O-C 3.59Å; I92-K111 VanDerWaalsContact O-CA 3.25Å; I92-K111 WeakPolarHBondContact O-CA 3.18Å; K93-K111 HydrophobicContact CB-CG 4.34Å; K93-K111 HydrophobicContact CG-CG 4.14Å; K111-V113 HydrophobicContact CB-CG2 4.27Å
112L98.8Very high96.5Very high0 Ų040.7 Ų40.70%028%0.275CS..EExtended strand (participates in β ladder)trans-102.4106.8166.7-65.9169.1000107.8V28 L30 V50 V57 F59 M72 Y91 I92 F110 F114 F122V28-L112 HydrophobicContact CG1-CB 4.11Å; V28-L112 HydrophobicContact CG1-CD2 4.11Å; L30-L112 HydrophobicContact CB-CD2 4.27Å; L30-L112 HydrophobicContact CD1-CD2 3.83Å; V50-L112 HydrophobicContact CG2-CD1 4.13Å; V50-L112 HydrophobicContact CG2-CD2 4.41Å; V57-L112 HydrophobicContact CG1-CD1 4.24Å; F59-L112 HydrophobicContact CD2-CD2 4.17Å; M72-L112 HydrophobicContact CE-CD1 4.46Å; Y91-L112 CarbonylContact C-O 3.52Å; Y91-L112 WeakPolarHBondContact CA-O 3.43Å; Y91-L112 VanDerWaalsContact CB-O 3.23Å; Y91-L112 WeakPolarHBondContact CB-O 3.33Å; I92-L112 HydrophobicContact CB-CB 4.41Å; I92-L112 PolarHBondContact N-O 2.81Å; I92-L112 PolarHBondContact O-N 3.3Å; F110-L112 HydrophobicContact CD2-CG 4.13Å; F110-L112 HydrophobicContact CE2-CD1 4.21Å; F110-L112 HydrophobicContact CE2-CG 4.27Å; L112-F114 HydrophobicContact CB-CE2 3.73Å; L112-F114 HydrophobicContact CB-CZ 4.34Å; L112-F114 VanDerWaalsContact O-CD2 3.26Å; L112-F114 WeakPolarHBondContact O-CD2 3.18Å; L112-F114 WeakPolarHBondContact O-CE2 3.32Å; L112-F122 HydrophobicContact CD1-CE1 4.46Å
113V98.6Very high96.7Very high25 Ų2540.6 Ų40.615%0.15227%0.274CS..EExtended strand (participates in β ladder)trans-98.8123.4-174.7-174.40000109.6V28 E29 V31 A89 K111V28-V113 WeakPolarHBondContact CA-O 3.36Å; E29-V113 HydrophobicContact CB-CB 4.24Å; E29-V113 PolarHBondContact N-O 2.79Å; E29-V113 PolarHBondContact O-N 2.83Å; V31-V113 HydrophobicContact CG2-CG2 4.42Å; A89-V113 HydrophobicContact CB-CG1 3.64Å; K111-V113 HydrophobicContact CB-CG2 4.27Å
114F98.3Very high96.8Very high4 Ų442.6 Ų42.62%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-10981.9-175.6-63.3-108.8000109.8H25 V28 V50 N90 I92 L112 A116 G117 A119 F122H25-F114 HydrophobicContact CB-CD1 4.21Å; H25-F114 HydrophobicContact CB-CE1 3.96Å; H25-F114 AromaticContact CD2-CE1 3.93Å; V28-F114 HydrophobicContact CG1-CE2 4.4Å; V28-F114 HydrophobicContact CG1-CZ 4.35Å; V28-F114 HydrophobicContact CG2-CD1 3.59Å; V28-F114 HydrophobicContact CG2-CE1 3.61Å; V28-F114 HydrophobicContact CG2-CG 4.21Å; V28-F114 HydrophobicContact CG2-CZ 4.25Å; V50-F114 HydrophobicContact CG1-CE1 3.91Å; V50-F114 HydrophobicContact CG1-CZ 3.97Å; N90-F114 PolarHBondContact O-N 2.59Å; I92-F114 HydrophobicContact CD1-CE2 3.8Å; I92-F114 HydrophobicContact CD1-CZ 4.08Å; I92-F114 HydrophobicContact CG1-CE2 4.17Å; L112-F114 HydrophobicContact CB-CE2 3.73Å; L112-F114 HydrophobicContact CB-CZ 4.34Å; L112-F114 VanDerWaalsContact O-CD2 3.26Å; L112-F114 WeakPolarHBondContact O-CD2 3.18Å; L112-F114 WeakPolarHBondContact O-CE2 3.32Å; F114-A116 PolarHBondContact O-N 3.13Å; F114-G117 WeakPolarHBondContact CB-O 3.41Å; F114-G117 PolarHBondContact O-N 2.68Å; F114-A119 HydrophobicContact CB-CB 3.87Å; F114-A119 HydrophobicContact CD2-CB 3.54Å; F114-A119 HydrophobicContact CE2-CB 4.23Å; F114-A119 HydrophobicContact CG-CB 3.76Å; F114-F122 HydrophobicContact CE1-CB 4.05Å; F114-F122 HydrophobicContact CE1-CD1 4.39Å; F114-F122 HydrophobicContact CE1-CD2 4.47Å; F114-F122 HydrophobicContact CE1-CG 4.04Å; F114-F122 HydrophobicContact CZ-CB 4.06Å; F114-F122 AromaticContact CZ-CD1 3.71Å; F114-F122 HydrophobicContact CZ-CD1 3.71Å; F114-F122 HydrophobicContact CZ-CE1 4.27Å; F114-F122 AromaticContact CZ-CG 3.82Å; F114-F122 HydrophobicContact CZ-CG 3.82Å
115A94.8Very high96.8Very high85 Ų8542.7 Ų42.770%0.70227%0.268SS*.THydrogen-bonded Turntrans-63.4-27.8-179.800000113.1A89A89-A115 HydrophobicContact CB-CB 4.41Å
116A94.3Very high96.8Very high82 Ų8234.7 Ų34.768%0.67823%0.231SC*.THydrogen-bonded Turntrans-905.2179.100000114.2F114F114-A116 PolarHBondContact O-N 3.13Å
117G94Very high96.9Very high37 Ų3735.7 Ų35.738%0.38122%0.224SC..SBendtrans88.3179.3-172.100000113.5F114F114-G117 WeakPolarHBondContact CB-O 3.41Å; F114-G117 PolarHBondContact O-N 2.68Å
118G96Very high96.7Very high23 Ų2337.3 Ų37.324%0.23723%0.225CC..  trans95.2-12.2-178.700000115.8I120 E121 F122G118-I120 VanDerWaalsContact C-N 3.27Å; G118-I120 PolarHBondContact O-N 2.86Å; G118-E121 PolarHBondContact O-N 2.79Å; G118-F122 WeakPolarHBondContact O-CB 3.34Å; G118-F122 PolarHBondContact O-N 2.97Å
119A97.2Very high96.5Very high1 Ų137.3 Ų37.31%0.00823%0.225CC..Hα-helixtrans-56.8-37.3-177.400000114.4N90 F114 G123N90-A119 HydrophobicContact CB-CB 3.49Å; N90-A119 VanDerWaalsContact CB-CB 3.49Å; F114-A119 HydrophobicContact CB-CB 3.87Å; F114-A119 HydrophobicContact CD2-CB 3.54Å; F114-A119 HydrophobicContact CE2-CB 4.23Å; F114-A119 HydrophobicContact CG-CB 3.76Å; A119-G123 WeakPolarHBondContact O-CA 3.34Å; A119-G123 PolarHBondContact O-N 3.01Å
120I97.2Very high96.2Very high58 Ų5837 Ų3730%0.29723%0.226SC..Hα-helixtrans-69.6-52.2-176.9-59.8167.7000109.4I82 Q84 G118 G123 Q124I82-I120 HydrophobicContact CG2-CG1 4.47Å; Q84-I120 HydrophobicContact CG-CG1 4.4Å; G118-I120 VanDerWaalsContact C-N 3.27Å; G118-I120 PolarHBondContact O-N 2.86Å; I120-G123 PolarHBondContact O-N 2.86Å; I120-Q124 HydrophobicContact CG2-CG 4.43Å; I120-Q124 WeakPolarHBondContact O-CB 3.48Å; I120-Q124 WeakPolarHBondContact O-CG 3.5Å; I120-Q124 PolarHBondContact O-N 3.04Å
121E96.1Very high95.9Very high93 Ų9339 Ų3944%0.43524%0.243SC..Hα-helixtrans-59.9-54.7178.5-176.8-178.7-175.100110.4M23 G118 G123 Q124 F125M23-E121 HydrophobicContact CE-CG 3.66Å; M23-E121 WeakPolarHBondContact CE-OE1 3.33Å; M23-E121 HydrophobicContact SD-CG 4.04Å; G118-E121 PolarHBondContact O-N 2.79Å; E121-G123 VanDerWaalsContact C-N 3.3Å; E121-G123 PolarHBondContact O-N 3.3Å; E121-Q124 PolarHBondContact O-N 3.48Å; E121-F125 HydrophobicContact CG-CD2 3.91Å; E121-F125 HydrophobicContact CG-CE2 3.99Å; E121-F125 WeakPolarHBondContact O-CD2 3.23Å; E121-F125 PolarHBondContact O-N 2.91Å
122F97.9Very high95.5Very high0 Ų038.2 Ų38.20%024%0.24CC..Hα-helixtrans-56.6-45.1178.6-174-83.5000111.8M23 H25 V50 L52 V57 I92 L112 F114 G118 F125 M126M23-F122 HydrophobicContact CG-CD2 4.21Å; M23-F122 HydrophobicContact SD-CB 4.25Å; M23-F122 HydrophobicContact SD-CD2 4.21Å; H25-F122 AromaticContact CD2-CD2 3.72Å; V50-F122 HydrophobicContact CB-CE2 4.48Å; V50-F122 HydrophobicContact CB-CZ 4.31Å; V50-F122 HydrophobicContact CG1-CD2 4.18Å; V50-F122 HydrophobicContact CG1-CE1 4.43Å; V50-F122 HydrophobicContact CG1-CE2 3.66Å; V50-F122 HydrophobicContact CG1-CZ 3.81Å; V50-F122 HydrophobicContact CG2-CE1 4.22Å; V50-F122 HydrophobicContact CG2-CE2 4.15Å; V50-F122 HydrophobicContact CG2-CZ 3.55Å; L52-F122 HydrophobicContact CB-CD2 4.39Å; L52-F122 HydrophobicContact CB-CE2 3.63Å; L52-F122 HydrophobicContact CB-CZ 3.92Å; L52-F122 HydrophobicContact CD1-CZ 4.49Å; V57-F122 HydrophobicContact CG1-CZ 4.13Å; I92-F122 HydrophobicContact CD1-CD1 3.42Å; I92-F122 VanDerWaalsContact CD1-CD1 3.42Å; I92-F122 HydrophobicContact CD1-CE1 4.1Å; I92-F122 HydrophobicContact CD1-CG 4.42Å; L112-F122 HydrophobicContact CD1-CE1 4.46Å; F114-F122 HydrophobicContact CE1-CB 4.05Å; F114-F122 HydrophobicContact CE1-CD1 4.39Å; F114-F122 HydrophobicContact CE1-CD2 4.47Å; F114-F122 HydrophobicContact CE1-CG 4.04Å; F114-F122 HydrophobicContact CZ-CB 4.06Å; F114-F122 AromaticContact CZ-CD1 3.71Å; F114-F122 HydrophobicContact CZ-CD1 3.71Å; F114-F122 HydrophobicContact CZ-CE1 4.27Å; F114-F122 AromaticContact CZ-CG 3.82Å; F114-F122 HydrophobicContact CZ-CG 3.82Å; G118-F122 WeakPolarHBondContact O-CB 3.34Å; G118-F122 PolarHBondContact O-N 2.97Å; F122-F125 PolarHBondContact O-N 3.03Å; F122-M126 HydrophobicContact CE1-CB 4.42Å; F122-M126 HydrophobicContact CE1-SD 4.34Å; F122-M126 WeakPolarHBondContact O-CB 3.44Å; F122-M126 PolarHBondContact O-N 3.42Å
123G97.4Very high95Very high0 Ų039.9 Ų39.90%025%0.254CS..Hα-helixtrans-66.6-40.6-179.500000113I92 A119 I120 E121 M126 L127I92-G123 VanDerWaalsContact CD1-CA 3.44Å; A119-G123 WeakPolarHBondContact O-CA 3.34Å; A119-G123 PolarHBondContact O-N 3.01Å; I120-G123 PolarHBondContact O-N 2.86Å; E121-G123 VanDerWaalsContact C-N 3.3Å; E121-G123 PolarHBondContact O-N 3.3Å; G123-M126 PolarHBondContact O-N 3.03Å; G123-L127 WeakPolarHBondContact O-CB 3.31Å; G123-L127 VanDerWaalsContact O-CG 3.26Å; G123-L127 WeakPolarHBondContact O-CG 3.49Å; G123-L127 PolarHBondContact O-N 3.01Å
124Q96.5Very high94.6Very high101 Ų10143.4 Ų43.447%0.47228%0.279SS..Hα-helixtrans-64.1-47.6176.2-75.5174.2-10.600110.6I82 I120 E121 M126 L127 Q128I82-Q124 HydrophobicContact CD1-CG 3.92Å; I120-Q124 HydrophobicContact CG2-CG 4.43Å; I120-Q124 WeakPolarHBondContact O-CB 3.48Å; I120-Q124 WeakPolarHBondContact O-CG 3.5Å; I120-Q124 PolarHBondContact O-N 3.04Å; E121-Q124 PolarHBondContact O-N 3.48Å; Q124-M126 PolarHBondContact O-N 3.2Å; Q124-L127 PolarHBondContact O-N 3.34Å; Q124-Q128 WeakPolarHBondContact O-CB 3.21Å; Q124-Q128 VanDerWaalsContact O-CG 3.23Å; Q124-Q128 WeakPolarHBondContact O-CG 3.34Å; Q124-Q128 PolarHBondContact O-N 3.49Å
125F94.9Very high94.1Very high17 Ų1749.7 Ų49.78%0.07531%0.307CS..Hα-helixtrans-62.2-41.7175.7-88.1-76.9000112.6M23 L52 E121 F122 L127 Q128 A129 F143 G144 C146M23-F125 HydrophobicContact CE-CD2 3.74Å; M23-F125 HydrophobicContact CE-CE2 3.92Å; M23-F125 HydrophobicContact CE-CG 4.36Å; M23-F125 HydrophobicContact SD-CD2 4.36Å; L52-F125 HydrophobicContact CD2-CB 3.68Å; E121-F125 HydrophobicContact CG-CD2 3.91Å; E121-F125 HydrophobicContact CG-CE2 3.99Å; E121-F125 WeakPolarHBondContact O-CD2 3.23Å; E121-F125 PolarHBondContact O-N 2.91Å; F122-F125 PolarHBondContact O-N 3.03Å; F125-L127 PolarHBondContact O-N 3.37Å; F125-Q128 PolarHBondContact O-N 2.97Å; F125-A129 VanDerWaalsContact O-CB 3.31Å; F125-A129 WeakPolarHBondContact O-CB 3.48Å; F125-A129 PolarHBondContact O-N 3.4Å; F125-F143 HydrophobicContact CD1-CD1 4.38Å; F125-F143 HydrophobicContact CD1-CE1 4.39Å; F125-F143 HydrophobicContact CE1-CD1 4.3Å; F125-G144 WeakPolarHBondContact CZ-O 3.14Å; F125-C146 HydrophobicContact CD1-CB 4.14Å; F125-C146 WeakPolarHBondContact CD1-SG 3.32Å; F125-C146 HydrophobicContact CE1-CB 3.41Å; F125-C146 VanDerWaalsContact CE1-CB 3.41Å; F125-C146 WeakPolarHBondContact CE1-SG 3.04Å; F125-C146 HydrophobicContact CZ-CB 3.73Å; F125-C146 WeakPolarHBondContact CZ-SG 3.25Å
126M96.8Very high93.5Very high3 Ų349 Ų492%0.01531%0.308CS..Hα-helixtrans-59.9-47.1177-177.1-165.169.900111.7L52 V57 F74 M77 C80 I92 F122 G123 Q124 Q128 A129 A130L52-M126 HydrophobicContact CD1-CB 3.95Å; L52-M126 HydrophobicContact CD1-CG 4.01Å; L52-M126 HydrophobicContact CD2-CB 4.4Å; V57-M126 HydrophobicContact CG2-CG 3.88Å; V57-M126 HydrophobicContact CG2-SD 3.77Å; F74-M126 HydrophobicContact CE1-CG 3.79Å; F74-M126 HydrophobicContact CZ-CG 4.47Å; M77-M126 HydrophobicContact CE-SD 4.01Å; C80-M126 HydrophobicContact CB-CE 3.79Å; I92-M126 HydrophobicContact CG2-CE 3.64Å; I92-M126 HydrophobicContact CG2-SD 4.34Å; F122-M126 HydrophobicContact CE1-CB 4.42Å; F122-M126 HydrophobicContact CE1-SD 4.34Å; F122-M126 WeakPolarHBondContact O-CB 3.44Å; F122-M126 PolarHBondContact O-N 3.42Å; G123-M126 PolarHBondContact O-N 3.03Å; Q124-M126 PolarHBondContact O-N 3.2Å; M126-Q128 VanDerWaalsContact C-N 3.35Å; M126-A129 PolarHBondContact O-N 3.43Å; M126-A130 WeakPolarHBondContact O-CB 3.31Å; M126-A130 PolarHBondContact O-N 2.83Å
127L95.7Very high92.7Very high74 Ų7449.9 Ų49.939%0.38730%0.298SS..Hα-helixtrans-65.4-39.2179.2-70.5172.8000111.9C80 G123 Q124 F125 A131C80-L127 HydrophobicContact CB-CD2 3.9Å; G123-L127 WeakPolarHBondContact O-CB 3.31Å; G123-L127 VanDerWaalsContact O-CG 3.26Å; G123-L127 WeakPolarHBondContact O-CG 3.49Å; G123-L127 PolarHBondContact O-N 3.01Å; Q124-L127 PolarHBondContact O-N 3.34Å; F125-L127 PolarHBondContact O-N 3.37Å; L127-A131 WeakPolarHBondContact O-CB 3.16Å; L127-A131 PolarHBondContact O-N 3.21Å
128Q92.9Very high91.5Very high85 Ų8552.9 Ų52.940%0.39731%0.311SS..Hα-helixtrans-66.3-45.3175.6-68.6174.315.600111.6Q124 F125 M126 A130 A131 Q132 F143Q124-Q128 WeakPolarHBondContact O-CB 3.21Å; Q124-Q128 VanDerWaalsContact O-CG 3.23Å; Q124-Q128 WeakPolarHBondContact O-CG 3.34Å; Q124-Q128 PolarHBondContact O-N 3.49Å; F125-Q128 PolarHBondContact O-N 2.97Å; M126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-A130 PolarHBondContact O-N 3.49Å; Q128-A131 PolarHBondContact O-N 2.87Å; Q128-Q132 WeakPolarHBondContact O-CG 3.38Å; Q128-Q132 PolarHBondContact O-N 3.29Å; Q128-Q132 VanDerWaalsContact O-N 3.1Å; Q128-F143 HydrophobicContact CB-CE1 3.92Å; Q128-F143 HydrophobicContact CB-CZ 3.61Å
129A92.9Very high90.2Very high0 Ų053.7 Ų53.70%031%0.309CS..Hα-helixtrans-60.7-44.3176.700000111.4L22 F74 F125 M126 A131 Q132 A133 L139L22-A129 HydrophobicContact CD1-CB 4.39Å; F74-A129 HydrophobicContact CE2-CB 3.77Å; F74-A129 HydrophobicContact CZ-CB 3.94Å; F125-A129 VanDerWaalsContact O-CB 3.31Å; F125-A129 WeakPolarHBondContact O-CB 3.48Å; F125-A129 PolarHBondContact O-N 3.4Å; M126-A129 PolarHBondContact O-N 3.43Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.48Å; A129-Q132 PolarHBondContact O-N 3.43Å; A129-Q132 VanDerWaalsContact O-N 3.16Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 3.31Å; A129-L139 HydrophobicContact CB-CD1 4.33Å
130A93.8Very high88.4Confident28 Ų2857.5 Ų57.523%0.23133%0.333CS..Hα-helixtrans-59.5-40.8174.700000112.7F74 M126 Q128 Q132 A133 S134F74-A130 HydrophobicContact CB-CB 3.88Å; F74-A130 HydrophobicContact CD1-CB 3.93Å; F74-A130 HydrophobicContact CD2-CB 3.97Å; F74-A130 HydrophobicContact CE1-CB 4.46Å; F74-A130 HydrophobicContact CE2-CB 4.48Å; F74-A130 HydrophobicContact CG-CB 3.67Å; M126-A130 WeakPolarHBondContact O-CB 3.31Å; M126-A130 PolarHBondContact O-N 2.83Å; Q128-A130 PolarHBondContact O-N 3.49Å; A130-Q132 VanDerWaalsContact C-N 3.29Å; A130-Q132 PolarHBondContact O-N 2.94Å; A130-A133 PolarHBondContact O-N 3.17Å; A130-S134 PolarHBondContact O-N 2.91Å; A130-S134 PolarHBondContact O-OG 3.49Å
131A91.9Very high86.3Confident43 Ų4360.4 Ų60.436%0.35536%0.356SS..Hα-helixtrans-68.5-25.3177.800000113.7L127 Q128 A129 S134 K135L127-A131 WeakPolarHBondContact O-CB 3.16Å; L127-A131 PolarHBondContact O-N 3.21Å; Q128-A131 PolarHBondContact O-N 2.87Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.48Å; A131-S134 PolarHBondContact O-OG 2.87Å; A131-K135 WeakPolarHBondContact O-CD 3.48Å; A131-K135 WeakPolarHBondContact O-CG 3.16Å
132Q89.4Confident84.3Confident44 Ų4461.3 Ų61.321%0.20637%0.372CS..Hα-helixtrans-83.7-43.1174.4-65.9-62.6-1400111.6Q128 A129 A130 S134 K135 G136 Q137 L139 F143Q128-Q132 WeakPolarHBondContact O-CG 3.38Å; Q128-Q132 PolarHBondContact O-N 3.29Å; Q128-Q132 VanDerWaalsContact O-N 3.1Å; A129-Q132 PolarHBondContact O-N 3.43Å; A129-Q132 VanDerWaalsContact O-N 3.16Å; A130-Q132 VanDerWaalsContact C-N 3.29Å; A130-Q132 PolarHBondContact O-N 2.94Å; Q132-S134 PolarHBondContact O-N 3.35Å; Q132-K135 CarbonylContact O-C 3.49Å; Q132-K135 WeakPolarHBondContact O-CA 3.46Å; Q132-K135 PolarHBondContact O-N 3.4Å; Q132-G136 PolarHBondContact O-N 3.09Å; Q132-Q137 PolarHBondContact O-N 2.89Å; Q132-L139 HydrophobicContact CB-CD2 3.61Å; Q132-L139 HydrophobicContact CG-CD2 3.75Å; Q132-F143 HydrophobicContact CG-CE2 3.82Å; Q132-F143 HydrophobicContact CG-CZ 3.97Å
133A89.4Confident82.2Confident34 Ų3463.1 Ų63.128%0.28138%0.38SS..Hα-helixtrans-57.2-38.7175.300000111.7Y55 F74 A129 A130 K135 G136Y55-A133 HydrophobicContact CD1-CB 4.27Å; F74-A133 HydrophobicContact CD2-CB 3.97Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 3.31Å; A130-A133 PolarHBondContact O-N 3.17Å; A133-K135 PolarHBondContact O-N 3.06Å; A133-G136 PolarHBondContact O-N 3.49Å
134S89.1Confident80Confident99 Ų9965.6 Ų65.669%0.69241%0.406SS*.THydrogen-bonded Turntrans-66.9-22.9176.168.30000114A130 A131 Q132A130-S134 PolarHBondContact O-N 2.91Å; A130-S134 PolarHBondContact O-OG 3.49Å; A131-S134 PolarHBondContact O-OG 2.87Å; Q132-S134 PolarHBondContact O-N 3.35Å
135K88.8Confident77.9Confident136 Ų13664.2 Ų64.259%0.59142%0.418SS*.THydrogen-bonded Turntrans-93.1-3.3176.4-63.8174.2-172.4176.20113.2A131 Q132 A133 Q137A131-K135 WeakPolarHBondContact O-CD 3.48Å; A131-K135 WeakPolarHBondContact O-CG 3.16Å; Q132-K135 CarbonylContact O-C 3.49Å; Q132-K135 WeakPolarHBondContact O-CA 3.46Å; Q132-K135 PolarHBondContact O-N 3.4Å; A133-K135 PolarHBondContact O-N 3.06Å; K135-Q137 HydrophobicContact CB-CB 4.4Å; K135-Q137 HydrophobicContact CB-CG 3.96Å; K135-Q137 PolarHBondContact O-N 2.81Å
136G82.1Confident75.7Confident71 Ų7164.2 Ų64.273%0.73242%0.421SS*.THydrogen-bonded Turntrans63.323-172.300000113.4Q132 A133Q132-G136 PolarHBondContact O-N 3.09Å; A133-G136 PolarHBondContact O-N 3.49Å
137Q76.3Confident73.3Confident101 Ų10166.5 Ų66.547%0.47244%0.436SS..PPolyproline II helixtrans-93.6136.1-178.8-71.5-174.6-34.600110.5Q132 K135Q132-Q137 PolarHBondContact O-N 2.89Å; K135-Q137 HydrophobicContact CB-CB 4.4Å; K135-Q137 HydrophobicContact CB-CG 3.96Å; K135-Q137 PolarHBondContact O-N 2.81Å
138P69.4Low71Confident99 Ų9968.9 Ų68.964%0.64344%0.443SS*.PPolyproline II helixtrans-68.5146.3175.328.3-33.1000110.6T140P138-T140 PolarHBondContact O-N 3.19Å
139L69.4Low68.6Low40 Ų4067.2 Ų67.221%0.20944%0.436CS..PPolyproline II helixtrans-72.2121.5170.7-60-178.3000108.8L22 P54 A129 Q132 F143L22-L139 HydrophobicContact CD1-CD1 3.32Å; L22-L139 HydrophobicContact CD2-CD1 4.03Å; L22-L139 HydrophobicContact CG-CD1 4.3Å; P54-L139 HydrophobicContact CB-CD1 3.7Å; P54-L139 HydrophobicContact CB-CG 4.29Å; P54-L139 HydrophobicContact CG-CD1 3.98Å; A129-L139 HydrophobicContact CB-CD1 4.33Å; Q132-L139 HydrophobicContact CB-CD2 3.61Å; Q132-L139 HydrophobicContact CG-CD2 3.75Å; L139-F143 HydrophobicContact CD2-CD1 4.45Å; L139-F143 HydrophobicContact CD2-CD2 4.46Å; L139-F143 HydrophobicContact CD2-CE1 4.03Å; L139-F143 HydrophobicContact CD2-CE2 4.05Å; L139-F143 HydrophobicContact CD2-CZ 3.78Å
140T59.4Low66Low81 Ų8170.7 Ų70.750%0.49746%0.464SS..PPolyproline II helixtrans-83.8154.4-176.758.70000111.4P138 S142 F143P138-T140 PolarHBondContact O-N 3.19Å; T140-S142 PolarHBondContact O-N 3.18Å; T140-F143 WeakPolarHBondContact O-CB 3.45Å; T140-F143 PolarHBondContact O-N 3.33Å
141P52.8Low63.5Low120 Ų12077 Ų7778%0.77950%0.495SS*.THydrogen-bonded Turntrans-63.2-15.6-179.9-22.432.7000114.9F143P141-F143 VanDerWaalsContact C-N 3.26Å
142S52.9Low61Low112 Ų11278.4 Ų78.478%0.78351%0.513SS*.THydrogen-bonded Turntrans-88.38.3177.2-158.80000112.5T140 G144T140-S142 PolarHBondContact O-N 3.18Å; S142-G144 PolarHBondContact O-N 3.49Å; S142-G144 VanDerWaalsContact O-N 3.1Å
143F53.8Low58.3Low37 Ų3778.6 Ų78.616%0.16253%0.526CS..SBendtrans-76.3102-169.4-163-99.3000112.7F125 Q128 Q132 L139 T140 P141 G145 C146F125-F143 HydrophobicContact CD1-CD1 4.38Å; F125-F143 HydrophobicContact CD1-CE1 4.39Å; F125-F143 HydrophobicContact CE1-CD1 4.3Å; Q128-F143 HydrophobicContact CB-CE1 3.92Å; Q128-F143 HydrophobicContact CB-CZ 3.61Å; Q132-F143 HydrophobicContact CG-CE2 3.82Å; Q132-F143 HydrophobicContact CG-CZ 3.97Å; L139-F143 HydrophobicContact CD2-CD1 4.45Å; L139-F143 HydrophobicContact CD2-CD2 4.46Å; L139-F143 HydrophobicContact CD2-CE1 4.03Å; L139-F143 HydrophobicContact CD2-CE2 4.05Å; L139-F143 HydrophobicContact CD2-CZ 3.78Å; T140-F143 WeakPolarHBondContact O-CB 3.45Å; T140-F143 PolarHBondContact O-N 3.33Å; P141-F143 VanDerWaalsContact C-N 3.26Å; F143-G145 VanDerWaalsContact C-N 3.28Å; F143-G145 PolarHBondContact O-N 2.89Å; F143-G145 VanDerWaalsContact O-N 3.1Å; F143-C146 PolarHBondContact O-N 3.17Å
144G51.8Low55.7Low53 Ų5387.8 Ų87.855%0.54656%0.555SS.*THydrogen-bonded Turntrans72.72.8159.400000117.3F125 S142 C146F125-G144 WeakPolarHBondContact CZ-O 3.14Å; S142-G144 PolarHBondContact O-N 3.49Å; S142-G144 VanDerWaalsContact O-N 3.1Å; G144-C146 VanDerWaalsContact C-N 3.26Å
145G52.4Low53.2Low71 Ų7186 Ų8673%0.73255%0.547SS*.THydrogen-bonded Turntrans77.712.9-171.300000113.3F143 P147F143-G145 VanDerWaalsContact C-N 3.28Å; F143-G145 PolarHBondContact O-N 2.89Å; F143-G145 VanDerWaalsContact O-N 3.1Å; G145-P147 WeakPolarHBondContact O-CD 3.4Å
146C48.2Very low50.6Low18 Ų1888.3 Ų88.312%0.12256%0.557CS.*  trans-65.8123.1166.5-109.90000107.8F125 F143 G144 F148F125-C146 HydrophobicContact CD1-CB 4.14Å; F125-C146 WeakPolarHBondContact CD1-SG 3.32Å; F125-C146 HydrophobicContact CE1-CB 3.41Å; F125-C146 VanDerWaalsContact CE1-CB 3.41Å; F125-C146 WeakPolarHBondContact CE1-SG 3.04Å; F125-C146 HydrophobicContact CZ-CB 3.73Å; F125-C146 WeakPolarHBondContact CZ-SG 3.25Å; F143-C146 PolarHBondContact O-N 3.17Å; G144-C146 VanDerWaalsContact C-N 3.26Å; C146-F148 VanDerWaalsContact C-N 3.34Å; C146-F148 PolarHBondContact O-N 2.96Å
147P47.5Very low48.8Very low51 Ų5189.2 Ų89.233%0.33155%0.55SS.*  trans-65.5102.916727-29.5000106.7G145 M149 A155G145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-M149 VanDerWaalsContact C-N 3.34Å; P147-M149 PolarHBondContact O-N 3.16Å; P147-A155 HydrophobicContact CB-CB 3.66Å
148F46Very low47.3Very low124 Ų12490 Ų9054%0.54456%0.564SS.*  trans-55.6101.2171.3174.8-101000108C146 A150C146-F148 VanDerWaalsContact C-N 3.34Å; C146-F148 PolarHBondContact O-N 2.96Å; F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 HydrophobicContact CD1-CB 4.09Å; F148-A150 HydrophobicContact CE1-CB 3.59Å; F148-A150 HydrophobicContact CZ-CB 4.36Å; F148-A150 PolarHBondContact O-N 3.39Å
149M43.7Very low45.9Very low50 Ų5090.6 Ų90.625%0.24657%0.568CS.*  trans-8383.1175.4-69.2-159.2-136.400108.3P147 N151P147-M149 VanDerWaalsContact C-N 3.34Å; P147-M149 PolarHBondContact O-N 3.16Å; M149-N151 VanDerWaalsContact C-N 3.27Å; M149-N151 PolarHBondContact O-N 3.1Å; M149-N151 VanDerWaalsContact O-N 3.07Å
150A38Very low44.6Very low72 Ų7294.5 Ų94.560%0.59560%0.596SS**SBendtrans-6897.9148.900000106.7F148F148-A150 VanDerWaalsContact C-N 3.31Å; F148-A150 HydrophobicContact CD1-CB 4.09Å; F148-A150 HydrophobicContact CE1-CB 3.59Å; F148-A150 HydrophobicContact CZ-CB 4.36Å; F148-A150 PolarHBondContact O-N 3.39Å
151N42.2Very low44.1Very low162 Ų16295.4 Ų95.487%0.86661%0.612SS**SBendtrans71.771.3170.1-119.2-15.6000116.1M149 G153M149-N151 VanDerWaalsContact C-N 3.27Å; M149-N151 PolarHBondContact O-N 3.1Å; M149-N151 VanDerWaalsContact O-N 3.07Å; N151-G153 VanDerWaalsContact C-N 3.26Å; N151-G153 PolarHBondContact O-N 2.83Å
152G39.3Very low43.6Very low71 Ų7197.3 Ų97.373%0.73262%0.615SS**SBendtrans60.87146.500000120.4
153G31.8Very low43.1Very low48 Ų4895.3 Ų95.350%0.49561%0.612SS.*  trans-95.8125.4175.100000111.6N151 A155N151-G153 VanDerWaalsContact C-N 3.26Å; N151-G153 PolarHBondContact O-N 2.83Å; G153-A155 PolarHBondContact O-N 3.47Å
154Y34.7Very low42.5Very low227 Ų227102.1 Ų102.189%0.8965%0.646SS**  trans-54.2111.5170.1-82-93.1000110.1F156Y154-F156 PolarHBondContact O-N 3.26Å
155A36.8Very low41.7Very low63 Ų63110.3 Ų110.352%0.52166%0.662SS.*  trans-79.6113.316500000107.9P147 G153P147-A155 HydrophobicContact CB-CB 3.66Å; G153-A155 PolarHBondContact O-N 3.47Å
156F34.5Very low41.1Very low184 Ų184112.9 Ų112.981%0.80767%0.666SS**PPolyproline II helixtrans-63.4139.7170.4-152.4-96.7000108.7Y154Y154-F156 PolarHBondContact O-N 3.26Å
157P44.2Very low40.9Very low89 Ų89121.4 Ų121.458%0.57870%0.704SS**PPolyproline II helixtrans-57143.517423.9-33000109.8
158P45Very low40.8Very low119 Ų119121.5 Ų121.577%0.77372%0.715SS**PPolyproline II helixtrans-57.4131.1174.523.9-31.7000108.6
159P40.2Very low40.8Very low110 Ų110121.5 Ų121.571%0.71473%0.727SS**PPolyproline II helixtrans-60.6145.4179.923.5-31.1000109.7A161P159-A161 PolarHBondContact O-N 3.04Å
160P41.2Very low40.8Very low123 Ų123124.6 Ų124.680%0.79975%0.751SS**PPolyproline II helixtrans-56.4127.6-178.718.9-28.5000110.2N162P160-N162 VanDerWaalsContact C-N 3.26Å; P160-N162 PolarHBondContact O-N 2.85Å
161A49.3Very low41.2Very low100 Ų100127.3 Ų127.383%0.82676%0.763SS**  trans-70.682.3176.500000109.4P159P159-A161 PolarHBondContact O-N 3.04Å
162N43Very low41.1Very low160 Ų160123 Ų12386%0.85676%0.757SS**  trans-153108.2165.1-94.7-21.1000110.6P160P160-N162 VanDerWaalsContact C-N 3.26Å; P160-N162 PolarHBondContact O-N 2.85Å
163G42.4Very low40.9Very low69 Ų69130.5 Ų130.571%0.71176%0.764SS**  trans88.3105.8142.900000118.7
164M40.7Very low41.2Very low180 Ų180134 Ų13489%0.88778%0.781SS**  trans6083.1141.6-79.614653.700118.9
165Y35.2Very low41.5Very low226 Ų226133.2 Ų133.289%0.88678%0.778SS**  trans-142.5144141.9-86.7-81.7000110.4
166P39.8Very low41.9Very low124 Ų124135.8 Ų135.881%0.80579%0.789SS**  trans-69.7133.6-177.727.6-31.3000111.1G168P166-G168 PolarHBondContact O-N 3.29Å
167Q42.6Very low42.8Very low197 Ų197134.2 Ų134.292%0.92179%0.79SS**  trans-60.999.6172.4-75.9-82.49.900110.2
168G46Very low43.1Very low54 Ų54135.3 Ų135.356%0.55780%0.797SS**  trans-108.1135.6165.600000109.7P166P166-G168 PolarHBondContact O-N 3.29Å
169P46.4Very low43.3Very low123 Ų123135 Ų13580%0.79980%0.795SS**PPolyproline II helixtrans-64.4143.4175.626-32.3000110.9
170P43.5Very low43.9Very low116 Ų116135.1 Ų135.175%0.75380%0.795SS**PPolyproline II helixtrans-65.8152.9-178.123.4-31.4000112.9G172P170-G172 PolarHBondContact O-N 3.37Å
171P46.4Very low44.1Very low129 Ų129136 Ų13684%0.83880%0.801SS**PPolyproline II helixtrans-63.9133.2-172.7-17.730.7000112.8
172G39.4Very low44.4Very low72 Ų72134.7 Ų134.774%0.74280%0.797SS**PPolyproline II helixtrans-65.7132.2-167.200000116.1P170P170-G172 PolarHBondContact O-N 3.37Å
173Y36Very low44.3Very low228 Ų228131.4 Ų131.489%0.89479%0.792SS**  trans-82.7110.3147.3-87.7-89.6000108.2Y175Y173-Y175 PolarHBondContact O-N 2.89Å
174S38.8Very low44.7Very low122 Ų122137.9 Ų137.985%0.85380%0.801SS**  trans-63.8109.8174.3-41.80000109.7
175Y40.7Very low44.9Very low209 Ų209139.4 Ų139.482%0.8280%0.799SS**PPolyproline II helixtrans-68.9140.8162.8-95.9-94.2000109.1Y173 N177Y173-Y175 PolarHBondContact O-N 2.89Å; Y175-N177 PolarHBondContact O-N 3.1Å
176P45Very low45.4Very low117 Ų117134.6 Ų134.676%0.7680%0.795SS**PPolyproline II helixtrans-60.6137.8170.9-15.828.5000109.8
177N52.9Low45.8Very low152 Ų152133.8 Ų133.881%0.81379%0.793SS**PPolyproline II helixtrans-52143.8174-98.721.3000111.1Y175Y175-N177 PolarHBondContact O-N 3.1Å
178P50Low46Very low112 Ų112129.9 Ų129.973%0.72778%0.784SS**PPolyproline II helixtrans-61.7142.6172.325.4-31.7000110.4
179P48.9Very low46Very low113 Ų113133.4 Ų133.473%0.73480%0.797SS**PPolyproline II helixtrans-68.6153.5179.827.6-32.4000111.4
180P54.2Low46Very low111 Ų111132.3 Ų132.372%0.72180%0.799SS**PPolyproline II helixtrans-63.3147.9-176.522-29.7000112.5G182P180-G182 PolarHBondContact O-N 3.23Å; P180-G182 VanDerWaalsContact O-N 3.1Å
181P45.1Very low45.7Very low141 Ų141136.2 Ų136.292%0.91680%0.804SS**SBendtrans-73.3106.4-175.224.6-25.1000110.2
182G55.2Low45.6Very low73 Ų73135.6 Ų135.675%0.75379%0.794SS**  trans1728.8177.400000118.5P180P180-G182 PolarHBondContact O-N 3.23Å; P180-G182 VanDerWaalsContact O-N 3.1Å
183A40.4Very low46Very low91 Ų91137.2 Ų137.275%0.75280%0.8SS**  trans-121.1110179.500000111.8Y185A183-Y185 PolarHBondContact O-N 3.1Å
184F51.5Low46.8Very low205 Ų205130.5 Ų130.590%0.89979%0.786SS**  trans-25.4108.3170-73.3-102.6000116.1
185Y45.4Very low46.9Very low213 Ų213128.6 Ų128.684%0.83578%0.778SS**  trans-129.5133.2147.7-91.2-90.7000107.9A183 S187A183-Y185 PolarHBondContact O-N 3.1Å; Y185-S187 PolarHBondContact O-N 3.07Å
186P44.4Very low47Very low124 Ų124123.7 Ų123.781%0.80577%0.774SS**PPolyproline II helixtrans-67.2122.3175.425.9-30000109.5
187S48.3Very low46.9Very low108 Ų108128.2 Ų128.276%0.75578%0.778SS**PPolyproline II helixtrans-58.5141.8173.1-55.10000110.7Y185Y185-S187 PolarHBondContact O-N 3.07Å
188P47.8Very low46.6Very low114 Ų114126.7 Ų126.774%0.7477%0.774SS**PPolyproline II helixtrans-60.7145.7163.625.9-31.1000109.3A190P188-A190 PolarHBondContact O-N 2.82Å
189P46.4Very low46.8Very low129 Ų129125.4 Ų125.484%0.83877%0.765SS**PPolyproline II helixtrans-58.6130-176.5-4.38.2000110.6F191P189-F191 PolarHBondContact O-N 3.07Å
190A46.5Very low46.4Very low100 Ų100125.2 Ų125.283%0.82676%0.764SS**PPolyproline II helixtrans-60.1122.6170.600000108.9P188 D192P188-A190 PolarHBondContact O-N 2.82Å; A190-D192 PolarHBondContact O-N 2.81Å
191F37.3Very low45.9Very low197 Ų197125.4 Ų125.486%0.86477%0.765SS**  trans-74109.6165.9-138.2-92.7000106.7P189 A193P189-F191 PolarHBondContact O-N 3.07Å; F191-A193 PolarHBondContact O-N 3.42Å
192D43.5Very low46.1Very low117 Ų117124.1 Ų124.163%0.62676%0.757SS**  trans-57.3124.1175-172.3-7.2000109.1A190 S194A190-D192 PolarHBondContact O-N 2.81Å; D192-S194 VanDerWaalsContact CG-OG 3.22Å; D192-S194 PolarHBondContact O-N 2.91Å; D192-S194 PolarHBondContact OD1-OG 3.25Å; D192-S194 VanDerWaalsContact OD1-OG 3.06Å; D192-S194 PolarHBondContact OD2-OG 3.05Å
193A48.3Very low45.2Very low106 Ų106131.6 Ų131.688%0.87676%0.764SS**SBendtrans-7765.6176.500000109.6F191F191-A193 PolarHBondContact O-N 3.42Å
194S51.6Low45.3Very low86 Ų86132.5 Ų132.560%0.60177%0.765SS**  trans-157.257.517459.90000112D192D192-S194 VanDerWaalsContact CG-OG 3.22Å; D192-S194 PolarHBondContact O-N 2.91Å; D192-S194 PolarHBondContact OD1-OG 3.25Å; D192-S194 VanDerWaalsContact OD1-OG 3.06Å; D192-S194 PolarHBondContact OD2-OG 3.05Å
195A41.5Very low44.8Very low82 Ų82126.4 Ų126.468%0.67875%0.753SS**SBendtrans-132.988.4166.200000110.1
196S42.3Very low44.5Very low106 Ų106122.3 Ų122.374%0.74175%0.752SS**  trans31.798.2149.8-52.10000117.3V198S196-V198 VanDerWaalsContact C-N 3.34Å; S196-V198 PolarHBondContact O-N 3.32Å
197Y42.9Very low44.2Very low213 Ų213124.6 Ų124.684%0.83576%0.757SS**  trans-62.998.2154.8-175-94.9000108.3P199Y197-P199 HydrophobicContact CE1-CB 4.26Å; Y197-P199 WeakPolarHBondContact O-CD 3.03Å
198V47.8Very low43.8Very low119 Ų119122.6 Ų122.672%0.72175%0.753SS**  trans-89.2113.8169.2-162.90000106.4S196S196-V198 VanDerWaalsContact C-N 3.34Å; S196-V198 PolarHBondContact O-N 3.32Å
199P53.7Low43.3Very low86 Ų86126.1 Ų126.156%0.55876%0.76SS**PPolyproline II helixtrans-63.2143.3176.925.4-32000110Y197Y197-P199 HydrophobicContact CE1-CB 4.26Å; Y197-P199 WeakPolarHBondContact O-CD 3.03Å
200P39.4Very low43Very low108 Ų108128 Ų12870%0.70176%0.757SS**PPolyproline II helixtrans-62.1144.2178.225.8-33.1000110.5
201P44.5Very low42.6Very low116 Ų116128.5 Ų128.575%0.75375%0.752SS**PPolyproline II helixtrans-62.9145179.625.1-32.2000110.9Y203P201-Y203 PolarHBondContact O-N 3.05Å
202P48.8Very low42.8Very low113 Ų113125.4 Ų125.473%0.73475%0.751SS**PPolyproline II helixtrans-63128.1-178.824.3-31.7000110.7S204P202-S204 PolarHBondContact O-N 3.07Å
203Y36.3Very low42.8Very low230 Ų230130.7 Ų130.790%0.90276%0.763SS**  trans-64.4101.4175.5-138-90.6000108.8P201 A205P201-Y203 PolarHBondContact O-N 3.05Å; Y203-A205 PolarHBondContact O-N 3.25Å
204S43.2Very low42.3Very low110 Ų110133.2 Ų133.277%0.76976%0.762SS**  trans-81.495.2172.3-60.10000108.1P202P202-S204 PolarHBondContact O-N 3.07Å
205A41.5Very low42.1Very low78 Ų78134.1 Ų134.165%0.64577%0.765SS**  trans-74.8129.416900000109.3Y203 L207Y203-A205 PolarHBondContact O-N 3.25Å; A205-L207 PolarHBondContact O-N 3.22Å
206P38.9Very low42.3Very low127 Ų127137.4 Ų137.483%0.82577%0.772SS**  trans-65.4120.7169.7-1730.3000109.4G208P206-G208 PolarHBondContact O-N 2.85Å
207L38.4Very low42.4Very low172 Ų172140.4 Ų140.490%0.90178%0.778SS**  trans-56.398165.4-99.5141.2000108.9A205 Q209A205-L207 PolarHBondContact O-N 3.22Å; L207-Q209 PolarHBondContact O-N 3.22Å
208G39.1Very low42.4Very low66 Ų66136.3 Ų136.368%0.6878%0.778SS**PPolyproline II helixtrans-62.411616200000108.5P206 Q210P206-G208 PolarHBondContact O-N 2.85Å; G208-Q210 PolarHBondContact O-N 2.97Å
209Q38Very low42.2Very low188 Ų188136.1 Ų136.188%0.87978%0.782SS**PPolyproline II helixtrans-54.1122.4177.8-66.5169.4-37.100110.6L207L207-Q209 PolarHBondContact O-N 3.22Å
210Q38.5Very low42.1Very low169 Ų169135.9 Ų135.979%0.7978%0.782SS**PPolyproline II helixtrans-75.6130.9159-71.9-174.9-81.700108.3G208G208-Q210 PolarHBondContact O-N 2.97Å
211P39.7Very low42.6Very low109 Ų109135 Ų13571%0.70878%0.784SS**PPolyproline II helixtrans-69.8154.9169.827.2-30.6000111
212P39.9Very low42.6Very low132 Ų132133.1 Ų133.186%0.85778%0.778SS**PPolyproline II helixtrans-64.8136.5-169.1-15.929.7000111.9
213R43.7Very low42.3Very low228 Ų228131.2 Ų131.286%0.8677%0.772SS**PPolyproline II helixtrans-87.3121.2168.6-74.9-173.7171.6175.9-3109.2
214D37.9Very low42.9Very low160 Ų160127.8 Ų127.886%0.85676%0.764SS**PPolyproline II helixtrans-67.8136169.8-124.4-39.1000110D216D214-D216 PolarHBondContact O-N 3.32Å
215P49.2Very low43.1Very low104 Ų104125.9 Ų125.968%0.67576%0.756SS**  trans-100.285.2-172.836.1-26000110.4
216D45.3Very low43.4Very low152 Ų152130.2 Ų130.281%0.81376%0.76SS**  trans-17498.9156.3-95-36.3000110D214D214-D216 PolarHBondContact O-N 3.32Å
217L44.4Very low43.6Very low168 Ų168127.8 Ų127.888%0.8875%0.75SS**  trans163.3135147.8-87151.2000110.7S219L217-S219 PolarHBondContact O-N 3.18Å
218P41.4Very low43.9Very low127 Ų127123 Ų12383%0.82574%0.736SS**  trans-72.8115176.428.1-30.8000110.9
219S43.8Very low44.1Very low116 Ų116126.9 Ų126.981%0.81174%0.736SS**  trans-82.2115.9176.3179.20000110.9L217L217-S219 PolarHBondContact O-N 3.18Å
220S52.8Low44.2Very low80 Ų80123.3 Ų123.356%0.55973%0.727SS**  trans-116.9134.1162.1176.20000109.3A222 A223S220-A222 PolarHBondContact O-N 3.49Å; S220-A223 PolarHBondContact O-N 3.04Å
221A49.5Very low44.4Very low91 Ų91118.8 Ų118.875%0.75272%0.719SS**Hα-helixtrans-57.4-10.3-179.200000114.4
222A43.7Very low44.5Very low76 Ų76117.3 Ų117.363%0.62872%0.715SS**Hα-helixtrans-77.8-21175.800000114S220S220-A222 PolarHBondContact O-N 3.49Å
223A43.8Very low44.7Very low73 Ų73115.7 Ų115.760%0.60371%0.707SS**Hα-helixtrans-83.2-32.5-176.600000113.2S220 A225 K226S220-A223 PolarHBondContact O-N 3.04Å; A223-A225 VanDerWaalsContact C-N 3.3Å; A223-A225 PolarHBondContact O-N 3.28Å; A223-K226 PolarHBondContact O-N 3.47Å
224E48.8Very low44.5Very low157 Ų157109.1 Ų109.173%0.73470%0.701SS**Hα-helixtrans-70.8-25.1178.7-112.9177.5117.700113K226E224-K226 VanDerWaalsContact C-N 3.31Å; E224-K226 PolarHBondContact O-N 2.94Å
225A46.8Very low44.7Very low71 Ų71106.4 Ų106.459%0.58770%0.695SS**Hα-helixtrans-71.7-21.3179.600000113.6A223A223-A225 VanDerWaalsContact C-N 3.3Å; A223-A225 PolarHBondContact O-N 3.28Å
226K47.3Very low44.2Very low169 Ų169107.2 Ų107.274%0.73570%0.702SS**Hα-helixtrans-98.6-16.8-175.5-154.9173.5-176.2-1760114.3A223 E224A223-K226 PolarHBondContact O-N 3.47Å; E224-K226 VanDerWaalsContact C-N 3.31Å; E224-K226 PolarHBondContact O-N 2.94Å
227A44.5Very low43.9Very low75 Ų75104.3 Ų104.362%0.6270%0.699SS**Hα-helixtrans-84-23.4173.500000112.8
228A43.5Very low43.5Very low72 Ų72103 Ų10360%0.59570%0.699SS**THydrogen-bonded Turntrans-78.1-19.317800000114.1
229E43.2Very low43.3Very low147 Ų147105.1 Ų105.169%0.68770%0.702SS**THydrogen-bonded Turntrans-83.4-23.8-179.1-159.2-178.6121.200113.2S233E229-S233 PolarHBondContact O-OG 3.28Å
230V40.4Very low43.1Very low113 Ų113104.6 Ų104.669%0.68570%0.695SS**THydrogen-bonded Turntrans-86.4-24-177.7-175.40000112.2
231A43.8Very low42.6Very low75 Ų75106.9 Ų106.962%0.6271%0.708SS**SBendtrans-80-18.1176.400000113.9
232A41.8Very low42.2Very low77 Ų77108.6 Ų108.664%0.63671%0.71SS**SBendtrans-88.3-12.4179.300000113.9
233S42.6Very low42.5Very low98 Ų98114 Ų11469%0.68572%0.721SS**SBendtrans-94.6-7.8-176.6-58.70000114E229E229-S233 PolarHBondContact O-OG 3.28Å
234A40.2Very low42.2Very low90 Ų90116.2 Ų116.274%0.74473%0.728SS**SBendtrans-91.5-3.1-178.600000114.3
235S42.1Very low41.9Very low104 Ų104117.8 Ų117.873%0.72773%0.728SS**SBendtrans-107.616.3-172.2-50.40000114.5
236C39.3Very low42Very low120 Ų120121.9 Ų121.981%0.81174%0.739SS**SBendtrans-146.680.4173.9-1510000111.1
237A38.1Very low41.7Very low92 Ų92118.6 Ų118.676%0.7674%0.735SS**  trans173.6107143.800000110.8
238T37.3Very low41.8Very low141 Ų141123.7 Ų123.787%0.86575%0.746SS**  trans-152.9112.2137.1-25.40000108.2
239L36.3Very low41.9Very low170 Ų170127.7 Ų127.789%0.8976%0.758SS**SBendtrans177.7154.2142.5-88.6172.5000109
240P40.3Very low42.1Very low105 Ų105129.1 Ų129.168%0.68276%0.762SS**  trans-91.9172.8-134.237.9-38.6000115.1T242P240-T242 PolarHBondContact O-N 3.31Å
241P40.5Very low42.4Very low128 Ų128129.3 Ų129.383%0.83177%0.765SS**  trans-82116.7-163.332.6-30.1000111.4
242T41.2Very low42.7Very low127 Ų127131.3 Ų131.378%0.77977%0.771SS**  trans-89107.7161.839.20000109.5P240 V244P240-T242 PolarHBondContact O-N 3.31Å; T242-V244 PolarHBondContact O-N 3.27Å; T242-V244 VanDerWaalsContact O-N 3.13Å
243H50.1Low43Very low189 Ų189133.6 Ų133.688%0.87578%0.78SS**  trans-69.496.6173.6-154.9-88000109.1
244V39.1Very low43Very low121 Ų121138.6 Ų138.673%0.73379%0.785SS**  trans-101.9108.6175.4-1750000109T242T242-V244 PolarHBondContact O-N 3.27Å; T242-V244 VanDerWaalsContact O-N 3.13Å
245Y41.5Very low43.6Very low190 Ų190139.4 Ų139.475%0.74579%0.785SS**PPolyproline II helixtrans-65123.1174.7-171.8-96.2000110P247Y245-P247 WeakPolarHBondContact O-CD 3.49Å
246L48.5Very low44.2Very low157 Ų157139.2 Ų139.282%0.82278%0.782SS**PPolyproline II helixtrans-80.8120.7167.5-88.3114.2000109.4Q248L246-Q248 PolarHBondContact O-N 3.23Å
247P41.3Very low44.7Very low99 Ų99138.9 Ų138.964%0.64378%0.778SS**PPolyproline II helixtrans-73.3123163.7-6.924.5000108.8Y245 D249Y245-P247 WeakPolarHBondContact O-CD 3.49Å; P247-D249 PolarHBondContact O-N 2.9Å; P247-D249 VanDerWaalsContact O-N 3.09Å
248Q46.4Very low45.4Very low183 Ų183142.8 Ų142.886%0.85578%0.781SS**  trans-7096165.2-80.7-176.5-28.900109L246 K250L246-Q248 PolarHBondContact O-N 3.23Å; Q248-K250 PolarHBondContact O-N 3.06Å
249D46Very low46.2Very low156 Ų156143.9 Ų143.983%0.83478%0.781SS**  trans-81103.5163.1-102-47.6000109P247P247-D249 PolarHBondContact O-N 2.9Å; P247-D249 VanDerWaalsContact O-N 3.09Å
250K47.7Very low46.9Very low177 Ų177145.1 Ų145.177%0.7778%0.78SS**PPolyproline II helixtrans-71.3134.1165.8-79.3179.5179.1176.50108.4Q248Q248-K250 PolarHBondContact O-N 3.06Å
251P46.2Very low47.1Very low116 Ų116148.6 Ų148.675%0.75378%0.784SS**PPolyproline II helixtrans-65.1144.5173.326.2-31.8000110.6
252P51.3Low47.2Very low117 Ų117148.9 Ų148.976%0.7678%0.778SS**PPolyproline II helixtrans-65148.2178.825.4-32000111.3
253P47Very low47.2Very low126 Ų126155.5 Ų155.582%0.81880%0.8SS**PPolyproline II helixtrans-66.8138.7-179.226-31.7000111.5S255P253-S255 PolarHBondContact O-N 3.31Å
254Y42.5Very low47.1Very low203 Ų203153.8 Ų153.880%0.79680%0.797SS**PPolyproline II helixtrans-69.6123.3-178.9-165.6-91.5000111.2
255S53.3Low47.5Very low106 Ų106155.5 Ų155.574%0.74180%0.8SS**PPolyproline II helixtrans-94.7123.8166.7-63.20000109.4P253P253-S255 PolarHBondContact O-N 3.31Å
256P53.5Low47.8Very low101 Ų101153.6 Ų153.666%0.65680%0.803SS**PPolyproline II helixtrans-71147.4174.228.2-31.2000111
257P51Low47.8Very low113 Ų113153.4 Ų153.473%0.73480%0.802SS**PPolyproline II helixtrans-69.413317726.4-31000111.1D259P257-D259 PolarHBondContact O-N 3.1Å
258E52.5Low48.2Very low174 Ų174156.8 Ų156.881%0.81381%0.812SS**PPolyproline II helixtrans-67.7121173.3-66.3-175133.200110.6K260E258-K260 PolarHBondContact O-N 3.27Å
259D54.1Low48.3Very low164 Ų164155.1 Ų155.188%0.87781%0.809SS**  trans-58.8113.7164.7-94.7-61.6000110.2P257P257-D259 PolarHBondContact O-N 3.1Å
260K50.3Low48.5Very low196 Ų196155 Ų15585%0.85281%0.807SS**  trans-110.387.6160.8-87.9-177.3179.1172.80110.4E258E258-K260 PolarHBondContact O-N 3.27Å
261K45.8Very low48.5Very low178 Ų178153.3 Ų153.377%0.77481%0.81SS**  trans-82.9118.1151.2-178.8-175.2177.5179.40108.1
262N42.8Very low48.7Very low134 Ų134156.4 Ų156.472%0.71782%0.815SS**  173.1133.8129.3-95.6-12.8000113.2
263Q40.5Very low48.5Very low265 Ų265160 Ų160100%1.23882%0.82SS**  trans67.70154.3-75.7179.913.400119.3

Retrieved 263 of 263 residues in 213.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).