G4VJB8_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession G4VJB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.3Low68.5Low234 Ų234134.4 Ų134.4100%1.15366%0.658SS**  0118.60-61.7-155.7-175.400109.9
2G58.9Low70Confident62 Ų62131.2 Ų131.264%0.63964%0.638SS**  trans-72.6165.8-17500000114K4 G5G2-K4 PolarHBondContact O-N 3.37Å; G2-G5 PolarHBondContact O-N 3.32Å
3R62.2Low71.4Confident201 Ų201131.2 Ų131.276%0.75865%0.65SS**THydrogen-bonded Turntrans-49.6-13.3174.9-93.5179.8171.6151.8-2.5115.1R7R3-R7 WeakPolarHBondContact O-CB 3.49Å
4K65.8Low72.8Confident182 Ų182134 Ų13479%0.79166%0.657SS**THydrogen-bonded Turntrans-87-18.1-172.1-65.4179.9-179.51750115.3G2 N8G2-K4 PolarHBondContact O-N 3.37Å; K4-N8 VanDerWaalsContact O-CB 3.27Å; K4-N8 WeakPolarHBondContact O-CB 3.49Å
5G62.6Low73.8Confident40 Ų40130.3 Ų130.341%0.41264%0.641SS.*SBendtrans-86.7-93.4-178.200000112.3G2 R7 N8G2-G5 PolarHBondContact O-N 3.32Å; G5-R7 VanDerWaalsContact C-N 3.33Å; G5-R7 PolarHBondContact O-N 3.44Å; G5-N8 PolarHBondContact O-N 3.17Å
6V63.8Low74.8Confident122 Ų122132.8 Ų132.874%0.73964%0.641SS**THydrogen-bonded Turntrans-70.1-26.9-173.5-171.30000113.4N8V6-N8 VanDerWaalsContact C-N 3.34Å
7R67.5Low75.7Confident183 Ų183130.5 Ų130.569%0.69164%0.637SS**THydrogen-bonded Turntrans-81.4-13.1179.2-65.5179.5179.1161.4-1.6113.3R3 G5 A9R3-R7 WeakPolarHBondContact O-CB 3.49Å; G5-R7 VanDerWaalsContact C-N 3.33Å; G5-R7 PolarHBondContact O-N 3.44Å; R7-A9 PolarHBondContact O-N 3.32Å
8N75.4Confident76.6Confident62 Ų62127.5 Ų127.533%0.33262%0.618SS.*  trans-74.7120.2179.6-173.6-12.2000109.6K4 G5 V6 R10 Y11K4-N8 VanDerWaalsContact O-CB 3.27Å; K4-N8 WeakPolarHBondContact O-CB 3.49Å; G5-N8 PolarHBondContact O-N 3.17Å; V6-N8 VanDerWaalsContact C-N 3.34Å; N8-R10 PolarHBondContact O-N 3.18Å; N8-R10 WeakPolarHBondContact OD1-CB 3.04Å; N8-R10 PolarHBondContact OD1-N 3.13Å; N8-Y11 HydrophobicContact CB-CD2 3.99Å; N8-Y11 HydrophobicContact CB-CE2 4.38Å; N8-Y11 PolarHBondContact O-N 3.39Å; N8-Y11 VanDerWaalsContact O-N 3.11Å
9A80.9Confident77.4Confident49 Ų49123.1 Ų123.141%0.40560%0.598SS.*G310 helixtrans-54.4-26.3-177.400000113R7 Y11 K12 N15R7-A9 PolarHBondContact O-N 3.32Å; A9-Y11 PolarHBondContact O-N 2.98Å; A9-K12 PolarHBondContact O-N 3.5Å; A9-N15 WeakPolarHBondContact O-CB 3.14Å; A9-N15 PolarHBondContact O-ND2 3.34Å
10R81.4Confident78.1Confident182 Ų182120.1 Ų120.169%0.68758%0.584SS**G310 helixtrans-62.4-34.8179.1-172.9177.5179.7-179.6-0.4114.4N8N8-R10 PolarHBondContact O-N 3.18Å; N8-R10 WeakPolarHBondContact OD1-CB 3.04Å; N8-R10 PolarHBondContact OD1-N 3.13Å
11Y82.3Confident78.8Confident161 Ų161117.7 Ų117.763%0.63157%0.574SS**G310 helixtrans-95.75.5-176.7-57.7-66000112.9N8 A9N8-Y11 HydrophobicContact CB-CD2 3.99Å; N8-Y11 HydrophobicContact CB-CE2 4.38Å; N8-Y11 PolarHBondContact O-N 3.39Å; N8-Y11 VanDerWaalsContact O-N 3.11Å; A9-Y11 PolarHBondContact O-N 2.98Å
12K85.9Confident80.6Confident96 Ų96109.9 Ų109.942%0.41754%0.535SS..SBendtrans-74.8144.9174.9-64.5-173.3178.1-1730109.6A9 K14 N15 R16A9-K12 PolarHBondContact O-N 3.5Å; K12-K14 HydrophobicContact CB-CG 4.1Å; K12-K14 PolarHBondContact O-N 2.77Å; K12-K14 VanDerWaalsContact O-N 3.14Å; K12-N15 PolarHBondContact O-N 3.16Å; K12-R16 PolarHBondContact O-N 3.19Å
13V88.7Confident82.2Confident132 Ų132107 Ų10780%0.850%0.504SS*.G310 helixtrans-51.1-41.4-178.8-1790000112.4N15 R16V13-N15 PolarHBondContact O-N 3.3Å; V13-N15 VanDerWaalsContact O-N 3.16Å; V13-R16 WeakPolarHBondContact O-CB 3.05Å; V13-R16 PolarHBondContact O-N 3.11Å; V13-R16 VanDerWaalsContact O-N 3.14Å
14K90.1Very high83.6Confident170 Ų17098 Ų9874%0.73947%0.472SS*.G310 helixtrans-62.6-19.2178.459160.9-171.6178.80115.9K12K12-K14 HydrophobicContact CB-CG 4.1Å; K12-K14 PolarHBondContact O-N 2.77Å; K12-K14 VanDerWaalsContact O-N 3.14Å
15N88Confident84.8Confident79 Ų7991.4 Ų91.442%0.42245%0.45SS..G310 helixtrans-113.116.3-179.5-67.625.4000111.3A9 K12 V13 T17A9-N15 WeakPolarHBondContact O-CB 3.14Å; A9-N15 PolarHBondContact O-ND2 3.34Å; K12-N15 PolarHBondContact O-N 3.16Å; V13-N15 PolarHBondContact O-N 3.3Å; V13-N15 VanDerWaalsContact O-N 3.16Å; N15-T17 PolarHBondContact O-N 3.46Å
16R89.8Confident86.1Confident169 Ų16990.6 Ų90.664%0.63844%0.436SS*.PPolyproline II helixtrans-66.2132.5-177.5-175.6-178.6-177.5-174.49.6110.1K12 V13 D19K12-R16 PolarHBondContact O-N 3.19Å; V13-R16 WeakPolarHBondContact O-CB 3.05Å; V13-R16 PolarHBondContact O-N 3.11Å; V13-R16 VanDerWaalsContact O-N 3.14Å; R16-D19 IonicContact CZ-OD1 3.75Å; R16-D19 IonicContact CZ-OD2 3.2Å; R16-D19 IonicContact NE-OD1 3.47Å; R16-D19 PolarHBondContact NE-OD1 3Å; R16-D19 IonicContact NE-OD2 3.5Å; R16-D19 PolarHBondContact NE-OD2 3.48Å; R16-D19 VanDerWaalsContact NH2-CG 3.25Å; R16-D19 IonicContact NH2-OD1 3.2Å; R16-D19 PolarHBondContact NH2-OD1 3Å; R16-D19 IonicContact NH2-OD2 2.62Å; R16-D19 PolarHBondContact NH2-OD2 3.13Å
17T90.7Very high87.3Confident94 Ų9485.1 Ų85.158%0.57740%0.402SS*.PPolyproline II helixtrans-88.8158.317153.50000110.5N15 D19N15-T17 PolarHBondContact O-N 3.46Å; T17-D19 PolarHBondContact O-N 3.44Å
18R91.4Very high88.3Confident77 Ų7782.2 Ų82.229%0.29139%0.394SS..PPolyproline II helixtrans-56.2138.9172.1-70.5-164.294.416923.8112.3Q22 I23 D26 D58 R79R18-Q22 VanDerWaalsContact NE-OE1 3.09Å; R18-I23 HydrophobicContact CB-CD1 4.38Å; R18-I23 HydrophobicContact CB-CG1 4.21Å; R18-D26 IonicContact CZ-OD2 3.82Å; R18-D26 IonicContact NH1-OD1 2.7Å; R18-D26 IonicContact NH1-OD2 3.56Å; R18-D26 PolarHBondContact NH1-OD2 3.12Å; R18-D58 HydrophobicContact CB-CB 4.31Å; R18-D58 WeakPolarHBondContact CD-OD2 3.07Å; R18-D58 HydrophobicContact CG-CB 4.41Å; R18-D58 WeakPolarHBondContact CG-OD2 3.29Å; R18-R79 PolarHBondContact O-NH2 3.01Å
19D92.4Very high88.6Confident44 Ų4486.4 Ų86.424%0.23541%0.412CS..PPolyproline II helixtrans-75.8166.7-177.6-57-57000111.3R16 T17 D21 Q22 I23 R79R16-D19 IonicContact CZ-OD1 3.75Å; R16-D19 IonicContact CZ-OD2 3.2Å; R16-D19 IonicContact NE-OD1 3.47Å; R16-D19 PolarHBondContact NE-OD1 3Å; R16-D19 IonicContact NE-OD2 3.5Å; R16-D19 PolarHBondContact NE-OD2 3.48Å; R16-D19 VanDerWaalsContact NH2-CG 3.25Å; R16-D19 IonicContact NH2-OD1 3.2Å; R16-D19 PolarHBondContact NH2-OD1 3Å; R16-D19 IonicContact NH2-OD2 2.62Å; R16-D19 PolarHBondContact NH2-OD2 3.13Å; T17-D19 PolarHBondContact O-N 3.44Å; D19-D21 WeakPolarHBondContact CB-OD1 3.38Å; D19-Q22 HydrophobicContact CB-CG 4.43Å; D19-Q22 PolarHBondContact OD2-NE2 3.26Å; D19-I23 WeakPolarHBondContact O-CG1 3.39Å; D19-I23 PolarHBondContact O-N 3.35Å; D19-R79 PolarHBondContact O-NH2 3.31Å
20I91.7Very high88.9Confident63 Ų6391.5 Ų91.532%0.32343%0.427SS..Hα-helixtrans-70.5-41.4-174.1-67.4166.6000111.2I23 S24 L83I20-I23 PolarHBondContact O-N 3.39Å; I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 2.95Å; I20-L83 HydrophobicContact CG2-CD2 3.94Å
21D91.3Very high89.2Confident70 Ų7085.3 Ų85.337%0.37441%0.408SS..Hα-helixtrans-60.7-42.3176.459.8-29.3000112.3D19 S24 S25 P87D19-D21 WeakPolarHBondContact CB-OD1 3.38Å; D21-S24 WeakPolarHBondContact CA-OG 3.49Å; D21-S24 PolarHBondContact O-N 3Å; D21-S24 PolarHBondContact O-OG 3.43Å; D21-S25 PolarHBondContact O-N 3.37Å; D21-S25 PolarHBondContact O-OG 2.79Å; D21-P87 HydrophobicContact CB-CB 4.01Å
22Q92.5Very high89.5Confident69 Ų6979.7 Ų79.732%0.32239%0.387SS..Hα-helixtrans-61.2-49.8173.8-65.9-177.113.400111.3R18 D19 S24 S25 D26R18-Q22 VanDerWaalsContact NE-OE1 3.09Å; D19-Q22 HydrophobicContact CB-CG 4.43Å; D19-Q22 PolarHBondContact OD2-NE2 3.26Å; Q22-S24 VanDerWaalsContact C-N 3.31Å; Q22-S24 PolarHBondContact O-N 3.29Å; Q22-S25 WeakPolarHBondContact O-CB 3.36Å; Q22-S25 PolarHBondContact O-N 3.01Å; Q22-S25 VanDerWaalsContact O-N 3.1Å; Q22-D26 PolarHBondContact O-N 3.49Å
23I92.5Very high89.6Confident1 Ų178.3 Ų78.31%0.00539%0.394CS..Hα-helixtrans-63.4-39.2178.6-64-173.5000111R18 D19 I20 S25 D26 L27 F56 D58 L83R18-I23 HydrophobicContact CB-CD1 4.38Å; R18-I23 HydrophobicContact CB-CG1 4.21Å; D19-I23 WeakPolarHBondContact O-CG1 3.39Å; D19-I23 PolarHBondContact O-N 3.35Å; I20-I23 PolarHBondContact O-N 3.39Å; I23-S25 PolarHBondContact O-N 2.83Å; I23-D26 WeakPolarHBondContact O-CB 3.45Å; I23-D26 PolarHBondContact O-N 3.21Å; I23-L27 HydrophobicContact CG2-CD1 4.01Å; I23-L27 HydrophobicContact CG2-CG 4.28Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 3.41Å; I23-F56 WeakPolarHBondContact CD1-O 3.44Å; I23-D58 HydrophobicContact CD1-CB 4.23Å; I23-L83 HydrophobicContact CB-CD2 4.32Å; I23-L83 HydrophobicContact CG2-CD1 4.05Å; I23-L83 HydrophobicContact CG2-CD2 3.98Å
24S91Very high89.6Confident12 Ų1278.6 Ų78.68%0.08438%0.384CS..Hα-helixtrans-62.3-31.6176.676.80000112.5I20 D21 Q22 P87I20-S24 WeakPolarHBondContact O-CB 3.46Å; I20-S24 PolarHBondContact O-N 2.95Å; D21-S24 WeakPolarHBondContact CA-OG 3.49Å; D21-S24 PolarHBondContact O-N 3Å; D21-S24 PolarHBondContact O-OG 3.43Å; Q22-S24 VanDerWaalsContact C-N 3.31Å; Q22-S24 PolarHBondContact O-N 3.29Å; S24-P87 WeakPolarHBondContact OG-CG 3.27Å
25S90.9Very high89.5Confident45 Ų4571.6 Ų71.632%0.31535%0.353SS..Hα-helixtrans-74.6-37.2176.1-60.40000111.9D21 Q22 I23 L27 K28 N31D21-S25 PolarHBondContact O-N 3.37Å; D21-S25 PolarHBondContact O-OG 2.79Å; Q22-S25 WeakPolarHBondContact O-CB 3.36Å; Q22-S25 PolarHBondContact O-N 3.01Å; Q22-S25 VanDerWaalsContact O-N 3.1Å; I23-S25 PolarHBondContact O-N 2.83Å; S25-L27 VanDerWaalsContact C-N 3.3Å; S25-K28 PolarHBondContact O-N 3.43Å; S25-N31 PolarHBondContact O-ND2 3.27Å
26D90.9Very high89.5Confident23 Ų2369.5 Ų69.512%0.12334%0.343CS..Hα-helixtrans-66-32.7174.3-65.9-22.6000112R18 Q22 I23 K28 N31 F32 R35R18-D26 IonicContact CZ-OD2 3.82Å; R18-D26 IonicContact NH1-OD1 2.7Å; R18-D26 IonicContact NH1-OD2 3.56Å; R18-D26 PolarHBondContact NH1-OD2 3.12Å; Q22-D26 PolarHBondContact O-N 3.49Å; I23-D26 WeakPolarHBondContact O-CB 3.45Å; I23-D26 PolarHBondContact O-N 3.21Å; D26-K28 PolarHBondContact O-N 2.83Å; D26-N31 CarbonylContact O-C 3.48Å; D26-F32 VanDerWaalsContact O-CA 3.24Å; D26-F32 WeakPolarHBondContact O-CA 3.31Å; D26-F32 PolarHBondContact O-N 2.95Å; D26-R35 HydrophobicContact CB-CB 4.43Å; D26-R35 HydrophobicContact CB-CG 4.14Å; D26-R35 IonicContact OD2-NE 2.79Å
27L88.6Confident89.4Confident7 Ų764.7 Ų64.74%0.03734%0.335CS..THydrogen-bonded Turntrans-75.4-7.5-179.6-71.4173000114.2I23 S25 F32 I55 F56 L83 I113 L117I23-L27 HydrophobicContact CG2-CD1 4.01Å; I23-L27 HydrophobicContact CG2-CG 4.28Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.44Å; I23-L27 PolarHBondContact O-N 3.41Å; S25-L27 VanDerWaalsContact C-N 3.3Å; L27-F32 HydrophobicContact CD2-CD2 4.3Å; L27-F32 HydrophobicContact CD2-CE2 4.33Å; L27-I55 HydrophobicContact CD2-CG2 3.77Å; L27-F56 HydrophobicContact CD1-CD1 3.87Å; L27-F56 HydrophobicContact CD1-CE1 3.99Å; L27-F56 HydrophobicContact CD2-CD1 3.97Å; L27-F56 HydrophobicContact CD2-CE1 3.67Å; L27-F56 HydrophobicContact CD2-CZ 4.43Å; L27-L83 HydrophobicContact CD1-CD1 4.01Å; L27-L83 HydrophobicContact CD1-CD2 4.29Å; L27-I113 HydrophobicContact CD1-CG1 4.48Å; L27-L117 VanDerWaalsContact O-CD1 3.28Å; L27-L117 WeakPolarHBondContact O-CD1 3.47Å
28K87.2Confident89.2Confident121 Ų12165.9 Ų65.953%0.52633%0.334SS..SBendtrans-67.4141.3171.8-63.8175.7-177.7172.10109.3S25 D26 E30 N31 F32S25-K28 PolarHBondContact O-N 3.43Å; D26-K28 PolarHBondContact O-N 2.83Å; K28-E30 PolarHBondContact O-N 3.32Å; K28-E30 VanDerWaalsContact O-N 3.07Å; K28-N31 PolarHBondContact O-N 2.68Å; K28-F32 PolarHBondContact O-N 3.21Å
29E83.5Confident88.9Confident151 Ų15162.2 Ų62.271%0.70632%0.32SS*.Hα-helixtrans-50.7-39.3-174.7-66.2173.3-170.700113.2N31E29-N31 VanDerWaalsContact C-N 3.3Å; E29-N31 PolarHBondContact O-N 3.35Å
30E86.9Confident88.6Confident155 Ų15562.6 Ų62.672%0.72433%0.325SS*.Hα-helixtrans-63.3-31.4179.4-58.9176.7174.700114.1K28K28-E30 PolarHBondContact O-N 3.32Å; K28-E30 VanDerWaalsContact O-N 3.07Å
31N87.8Confident88.4Confident53 Ų5365.6 Ų65.628%0.28334%0.337SS..Hα-helixtrans-103.9-24.2-174-65.6-28.7000112.2S25 D26 K28 E29 A33 K34 R35S25-N31 PolarHBondContact O-ND2 3.27Å; D26-N31 CarbonylContact O-C 3.48Å; K28-N31 PolarHBondContact O-N 2.68Å; E29-N31 VanDerWaalsContact C-N 3.3Å; E29-N31 PolarHBondContact O-N 3.35Å; N31-A33 PolarHBondContact O-N 3.12Å; N31-K34 PolarHBondContact O-N 2.98Å; N31-R35 WeakPolarHBondContact O-CB 3.22Å; N31-R35 PolarHBondContact O-N 2.89Å
32F87Confident88.2Confident42 Ų4267.6 Ų67.618%0.18435%0.354CS..Hα-helixtrans-56.6-51.5-174.4-176.9-94.3000111.9D26 L27 K28 K34 R35 V36 I55 L117D26-F32 VanDerWaalsContact O-CA 3.24Å; D26-F32 WeakPolarHBondContact O-CA 3.31Å; D26-F32 PolarHBondContact O-N 2.95Å; L27-F32 HydrophobicContact CD2-CD2 4.3Å; L27-F32 HydrophobicContact CD2-CE2 4.33Å; K28-F32 PolarHBondContact O-N 3.21Å; F32-K34 VanDerWaalsContact C-N 3.33Å; F32-K34 PolarHBondContact O-N 3.29Å; F32-R35 PolarHBondContact O-N 3.39Å; F32-V36 HydrophobicContact CD1-CG2 4.29Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 4.45Å; F32-V36 HydrophobicContact CZ-CG2 4.05Å; F32-V36 VanDerWaalsContact O-CG2 3.31Å; F32-V36 WeakPolarHBondContact O-CG2 3.24Å; F32-V36 PolarHBondContact O-N 3.17Å; F32-I55 HydrophobicContact CD2-CD1 4.1Å; F32-I55 HydrophobicContact CE1-CD1 4.4Å; F32-I55 HydrophobicContact CE2-CD1 3.2Å; F32-I55 HydrophobicContact CE2-CG1 4.49Å; F32-I55 HydrophobicContact CE2-CG2 4.47Å; F32-I55 HydrophobicContact CZ-CD1 3.38Å; F32-L117 HydrophobicContact CD1-CD2 4Å; F32-L117 HydrophobicContact CD2-CD2 3.6Å; F32-L117 HydrophobicContact CE1-CD2 4Å; F32-L117 HydrophobicContact CE2-CD2 3.56Å; F32-L117 HydrophobicContact CG-CD2 3.8Å; F32-L117 HydrophobicContact CZ-CD2 3.78Å
33A87.8Confident88.1Confident68 Ų6866.7 Ų66.756%0.56235%0.352SS*.Hα-helixtrans-60.5-42.7-179.600000112N31 V36 S37N31-A33 PolarHBondContact O-N 3.12Å; A33-V36 PolarHBondContact O-N 3.2Å; A33-S37 PolarHBondContact O-N 2.9Å; A33-S37 PolarHBondContact O-OG 3.25Å
34K89.4Confident88Confident137 Ų13775.5 Ų75.560%0.59639%0.393SS*.Hα-helixtrans-64.5-43.5178.9-61.8176.1-175.9167.90111.7N31 F32 V36 S37 E38N31-K34 PolarHBondContact O-N 2.98Å; F32-K34 VanDerWaalsContact C-N 3.33Å; F32-K34 PolarHBondContact O-N 3.29Å; K34-V36 VanDerWaalsContact C-N 3.34Å; K34-S37 WeakPolarHBondContact CA-OG 3.13Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 PolarHBondContact O-OG 2.92Å; K34-E38 WeakPolarHBondContact O-CB 3.26Å; K34-E38 PolarHBondContact O-N 3.35Å
35R87.6Confident88.1Confident23 Ų2382.4 Ų82.49%0.08743%0.428CS..Hα-helixtrans-67.1-39.3-179.5-174.967.2-168.593.83.3111.2D26 N31 F32 A39 D58D26-R35 HydrophobicContact CB-CB 4.43Å; D26-R35 HydrophobicContact CB-CG 4.14Å; D26-R35 IonicContact OD2-NE 2.79Å; N31-R35 WeakPolarHBondContact O-CB 3.22Å; N31-R35 PolarHBondContact O-N 2.89Å; F32-R35 PolarHBondContact O-N 3.39Å; R35-A39 VanDerWaalsContact O-CB 3.27Å; R35-A39 WeakPolarHBondContact O-CB 3.1Å; R35-A39 PolarHBondContact O-N 3.14Å; R35-D58 IonicContact CZ-OD1 3.89Å; R35-D58 IonicContact NH2-OD1 2.77Å; R35-D58 PolarHBondContact NH2-OD1 3.2Å
36V88.2Confident88Confident36 Ų3682.8 Ų82.822%0.21842%0.424CS..Hα-helixtrans-66-46175.9173.40000110.8F32 A33 K34 E38 A39 T40 I55F32-V36 HydrophobicContact CD1-CG2 4.29Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 4.45Å; F32-V36 HydrophobicContact CZ-CG2 4.05Å; F32-V36 VanDerWaalsContact O-CG2 3.31Å; F32-V36 WeakPolarHBondContact O-CG2 3.24Å; F32-V36 PolarHBondContact O-N 3.17Å; A33-V36 PolarHBondContact O-N 3.2Å; K34-V36 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 3.47Å; V36-A39 PolarHBondContact O-N 3.16Å; V36-T40 WeakPolarHBondContact O-CB 3.36Å; V36-T40 PolarHBondContact O-N 2.7Å; V36-T40 PolarHBondContact O-OG1 3.39Å; V36-T40 VanDerWaalsContact O-OG1 3.13Å; V36-I55 HydrophobicContact CG2-CD1 3.34Å; V36-I55 HydrophobicContact CG2-CG1 4.12Å
37S87.5Confident88Confident67 Ų6784.5 Ų84.547%0.46944%0.437SS..Hα-helixtrans-60.3-48.1178.257.70000111.6A33 K34 A39 T40 E41A33-S37 PolarHBondContact O-N 2.9Å; A33-S37 PolarHBondContact O-OG 3.25Å; K34-S37 WeakPolarHBondContact CA-OG 3.13Å; K34-S37 PolarHBondContact O-N 3.39Å; K34-S37 PolarHBondContact O-OG 2.92Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-A39 PolarHBondContact O-N 3.14Å; S37-T40 PolarHBondContact O-N 3.32Å; S37-E41 WeakPolarHBondContact O-CG 3.43Å; S37-E41 PolarHBondContact O-N 2.88Å; S37-E41 VanDerWaalsContact O-N 3.11Å
38E87.8Confident88.1Confident119 Ų11985.3 Ų85.356%0.55645%0.447SS*.Hα-helixtrans-63.4-35.5178.6-174.2-170.9170.800112.7K34 V36K34-E38 WeakPolarHBondContact O-CB 3.26Å; K34-E38 PolarHBondContact O-N 3.35Å; V36-E38 PolarHBondContact O-N 3.47Å
39A84.8Confident88.2Confident0 Ų083.5 Ų83.50%044%0.443CS..Hα-helixtrans-71.8-34.6178.300000112.9R35 V36 S37 F53 Y60R35-A39 VanDerWaalsContact O-CB 3.27Å; R35-A39 WeakPolarHBondContact O-CB 3.1Å; R35-A39 PolarHBondContact O-N 3.14Å; V36-A39 PolarHBondContact O-N 3.16Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-A39 PolarHBondContact O-N 3.14Å; A39-F53 HydrophobicContact CB-CB 4.42Å; A39-F53 HydrophobicContact CB-CD1 3.52Å; A39-F53 HydrophobicContact CB-CD2 4.37Å; A39-F53 HydrophobicContact CB-CE1 3.73Å; A39-F53 HydrophobicContact CB-CG 3.86Å; A39-F53 HydrophobicContact CB-CZ 4.27Å; A39-Y60 HydrophobicContact CB-CE1 4.34Å
40T86Confident88.4Confident53 Ų5376.3 Ų76.333%0.32541%0.409SS..Hα-helixtrans-93.6-2.6-173-58.10000113.1V36 S37V36-T40 WeakPolarHBondContact O-CB 3.36Å; V36-T40 PolarHBondContact O-N 2.7Å; V36-T40 PolarHBondContact O-OG1 3.39Å; V36-T40 VanDerWaalsContact O-OG1 3.13Å; S37-T40 PolarHBondContact O-N 3.32Å
41E87.8Confident88.5Confident126 Ų12672 Ų7259%0.58939%0.389SS*.SBendtrans-57.2130.9167.4-81.9178.7-17700110.6S37 D43S37-E41 WeakPolarHBondContact O-CG 3.43Å; S37-E41 PolarHBondContact O-N 2.88Å; S37-E41 VanDerWaalsContact O-N 3.11Å; E41-D43 PolarHBondContact O-N 2.89Å; E41-D43 VanDerWaalsContact O-N 3.16Å
42P86.7Confident88.7Confident111 Ų11171.5 Ų71.572%0.72138%0.384SS*.  trans-65.4117.3-175.526.6-33.6000110.2L49P42-L49 WeakPolarHBondContact CA-O 3.47Å
43D90.4Very high89Confident51 Ų5170.7 Ų70.727%0.27338%0.381SS..  trans-135.9123.2-174-175.4-10.6000109.3E41 D45 K46E41-D43 PolarHBondContact O-N 2.89Å; E41-D43 VanDerWaalsContact O-N 3.16Å; D43-D45 VanDerWaalsContact C-N 3.25Å; D43-D45 PolarHBondContact O-N 3.03Å; D43-D45 PolarHBondContact OD1-N 3.48Å; D43-D45 VanDerWaalsContact OD1-N 3.13Å; D43-K46 HydrophobicContact CB-CB 4.48Å; D43-K46 HydrophobicContact CB-CD 3.95Å; D43-K46 HydrophobicContact CB-CG 4.2Å; D43-K46 PolarHBondContact O-N 3.4Å; D43-K46 WeakPolarHBondContact OD2-CE 3.4Å; D43-K46 IonicContact OD2-NZ 3.75Å; D43-K46 PolarHBondContact OD2-NZ 2.88Å
44E90.3Very high89.2Confident186 Ų18667.7 Ų67.787%0.86936%0.355SS*.THydrogen-bonded Turntrans-69.5-22.7-175.2-60.2-174.2157.100112.7K46E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.1Å
45D92.1Very high89.3Confident156 Ų15662.3 Ų62.383%0.83433%0.333SS*.THydrogen-bonded Turntrans-79.9-14.6-179.9-71.9-38.6000112.6D43D43-D45 VanDerWaalsContact C-N 3.25Å; D43-D45 PolarHBondContact O-N 3.03Å; D43-D45 PolarHBondContact OD1-N 3.48Å; D43-D45 VanDerWaalsContact OD1-N 3.13Å
46K89.7Confident89.5Confident53 Ų5362.8 Ų62.823%0.2334%0.336CS..SBendtrans-99.7142.6-176.6-64.5176.7-171.6134.80111.2D43 E44 G48 L49 Y60D43-K46 HydrophobicContact CB-CB 4.48Å; D43-K46 HydrophobicContact CB-CD 3.95Å; D43-K46 HydrophobicContact CB-CG 4.2Å; D43-K46 PolarHBondContact O-N 3.4Å; D43-K46 WeakPolarHBondContact OD2-CE 3.4Å; D43-K46 IonicContact OD2-NZ 3.75Å; D43-K46 PolarHBondContact OD2-NZ 2.88Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.1Å; K46-G48 PolarHBondContact O-N 3.49Å; K46-L49 PolarHBondContact O-N 3.23Å; K46-Y60 HydrophobicContact CD-CD1 4.29Å; K46-Y60 HydrophobicContact CD-CE1 3.79Å; K46-Y60 HydrophobicContact CD-CE2 4.22Å
47P91.8Very high89.7Confident59 Ų5962.1 Ų62.138%0.38333%0.333SS..G310 helixtrans-64.6140.1175.429.2-33.5000110L49 G50 Y60 F61 I62P47-L49 VanDerWaalsContact C-N 3.26Å; P47-L49 PolarHBondContact O-N 2.99Å; P47-G50 PolarHBondContact O-N 3.48Å; P47-Y60 VanDerWaalsContact CG-CB 3.47Å; P47-F61 CarbonylContact C-O 3.59Å; P47-I62 HydrophobicContact CB-CG1 4.11Å
48G89.5Confident89.9Confident24 Ų2460.9 Ų60.925%0.24732%0.32CS..G310 helixtrans65.125.3-17900000114.2K46 G50 Q51K46-G48 PolarHBondContact O-N 3.49Å; G48-G50 PolarHBondContact O-N 2.94Å; G48-G50 VanDerWaalsContact O-N 3.12Å; G48-Q51 WeakPolarHBondContact O-CB 3.42Å; G48-Q51 WeakPolarHBondContact O-CG 3.5Å; G48-Q51 PolarHBondContact O-N 3.4Å
49L89.9Confident90.1Very high84 Ų8459.9 Ų59.944%0.4431%0.314SS..G310 helixtrans54.130.4-177.5-58.2172.9000113.1P42 K46 P47 Q51P42-L49 WeakPolarHBondContact CA-O 3.47Å; K46-L49 PolarHBondContact O-N 3.23Å; P47-L49 VanDerWaalsContact C-N 3.26Å; P47-L49 PolarHBondContact O-N 2.99Å; L49-Q51 HydrophobicContact CB-CG 4.46Å; L49-Q51 PolarHBondContact O-N 3.16Å
50G88.1Confident90.5Very high0 Ų062.8 Ų62.80%033%0.326CS..G310 helixtrans75-3.4-177.600000115.5P47 G48 F52P47-G50 PolarHBondContact O-N 3.48Å; G48-G50 PolarHBondContact O-N 2.94Å; G48-G50 VanDerWaalsContact O-N 3.12Å; G50-F52 PolarHBondContact O-N 2.93Å
51Q88.6Confident91Very high63 Ų6361.9 Ų61.929%0.29432%0.317SS..  trans-69.3-38.8-172.4-61.3179.66.400113G48 L49 F53 I125G48-Q51 WeakPolarHBondContact O-CB 3.42Å; G48-Q51 WeakPolarHBondContact O-CG 3.5Å; G48-Q51 PolarHBondContact O-N 3.4Å; L49-Q51 HydrophobicContact CB-CG 4.46Å; L49-Q51 PolarHBondContact O-N 3.16Å; Q51-F53 PolarHBondContact O-N 3.36Å; Q51-I125 HydrophobicContact CG-CD1 4.49Å
52F92.2Very high91.2Very high43 Ų4361.2 Ų61.219%0.18932%0.317CS..EExtended strand (participates in β ladder)trans-99.380.7-175.5-54.1-66.3000111.6G50 Y60 F61 I62 Q64 L67G50-F52 PolarHBondContact O-N 2.93Å; F52-Y60 CarbonylContact O-C 3.53Å; F52-Y60 WeakPolarHBondContact O-CA 2.97Å; F52-F61 HydrophobicContact CB-CB 3.96Å; F52-F61 PolarHBondContact O-N 3.32Å; F52-I62 WeakPolarHBondContact CD2-O 3.36Å; F52-I62 WeakPolarHBondContact CE2-O 3.4Å; F52-Q64 HydrophobicContact CD1-CB 4.07Å; F52-Q64 VanDerWaalsContact CD1-OE1 3.29Å; F52-Q64 HydrophobicContact CE1-CB 3.64Å; F52-Q64 HydrophobicContact CZ-CB 4.34Å; F52-L67 HydrophobicContact CB-CD1 3.95Å
53F92.6Very high91.5Very high25 Ų2559.9 Ų59.911%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-110.4141.2-175.6179.2-115000113.7A39 Q51 I55 D58 K59 Y60A39-F53 HydrophobicContact CB-CB 4.42Å; A39-F53 HydrophobicContact CB-CD1 3.52Å; A39-F53 HydrophobicContact CB-CD2 4.37Å; A39-F53 HydrophobicContact CB-CE1 3.73Å; A39-F53 HydrophobicContact CB-CG 3.86Å; A39-F53 HydrophobicContact CB-CZ 4.27Å; Q51-F53 PolarHBondContact O-N 3.36Å; F53-I55 HydrophobicContact CD1-CG1 3.82Å; F53-I55 HydrophobicContact CE1-CB 4.11Å; F53-I55 HydrophobicContact CE1-CG1 3.61Å; F53-D58 WeakPolarHBondContact CE2-OD1 3.35Å; F53-D58 VanDerWaalsContact CZ-OD1 3.26Å; F53-D58 WeakPolarHBondContact CZ-OD1 3.28Å; F53-K59 WeakPolarHBondContact CD2-O 3.5Å; F53-Y60 HydrophobicContact CB-CD1 4.12Å; F53-Y60 HydrophobicContact CB-CE1 4.2Å; F53-Y60 AromaticContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD2 4.4Å; F53-Y60 AromaticContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE1 3.44Å; F53-Y60 VanDerWaalsContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE2 4.24Å; F53-Y60 HydrophobicContact CD2-CG 4.12Å; F53-Y60 AromaticContact CD2-CZ 3.77Å; F53-Y60 HydrophobicContact CE2-CE1 4.07Å; F53-Y60 HydrophobicContact CE2-CE2 4.22Å; F53-Y60 AromaticContact CE2-CZ 3.91Å; F53-Y60 HydrophobicContact CG-CD1 4.27Å; F53-Y60 HydrophobicContact CG-CE1 4.04Å
54C92.4Very high91.7Very high5 Ų561.6 Ų61.63%0.03431%0.31CS..EExtended strand (participates in β ladder)trans-111.8111.2169.8-176.50000111.2F56 C57 D58 K59 F61 H76C54-F56 PolarHBondContact O-N 3.07Å; C54-C57 PolarHBondContact O-N 3.42Å; C54-D58 WeakPolarHBondContact O-CA 3.32Å; C54-D58 PolarHBondContact O-N 3.04Å; C54-K59 PolarHBondContact N-O 3.37Å; C54-K59 PolarHBondContact O-N 2.92Å; C54-F61 HydrophobicContact CB-CE2 3.95Å; C54-H76 VanDerWaalsContact SG-CE1 3.52Å
55I91.5Very high91.9Very high24 Ų2458.6 Ų58.612%0.12330%0.298CS..THydrogen-bonded Turntrans-63.5-44-176.7-55.6162.8000111.8L27 F32 V36 F53 C57 D58L27-I55 HydrophobicContact CD2-CG2 3.77Å; F32-I55 HydrophobicContact CD2-CD1 4.1Å; F32-I55 HydrophobicContact CE1-CD1 4.4Å; F32-I55 HydrophobicContact CE2-CD1 3.2Å; F32-I55 HydrophobicContact CE2-CG1 4.49Å; F32-I55 HydrophobicContact CE2-CG2 4.47Å; F32-I55 HydrophobicContact CZ-CD1 3.38Å; V36-I55 HydrophobicContact CG2-CD1 3.34Å; V36-I55 HydrophobicContact CG2-CG1 4.12Å; F53-I55 HydrophobicContact CD1-CG1 3.82Å; F53-I55 HydrophobicContact CE1-CB 4.11Å; F53-I55 HydrophobicContact CE1-CG1 3.61Å; I55-C57 PolarHBondContact O-N 3.36Å; I55-D58 PolarHBondContact O-N 3.45Å
56F91.4Very high92Very high34 Ų3453.6 Ų53.615%0.14927%0.274CS..THydrogen-bonded Turntrans-63.2-30.8-176.9-55.9-72.4000113.8I23 L27 C54 H76 R79 L80 L83I23-F56 WeakPolarHBondContact CD1-O 3.44Å; L27-F56 HydrophobicContact CD1-CD1 3.87Å; L27-F56 HydrophobicContact CD1-CE1 3.99Å; L27-F56 HydrophobicContact CD2-CD1 3.97Å; L27-F56 HydrophobicContact CD2-CE1 3.67Å; L27-F56 HydrophobicContact CD2-CZ 4.43Å; C54-F56 PolarHBondContact O-N 3.07Å; F56-H76 AromaticContact CD2-CE1 3.81Å; F56-R79 WeakPolarHBondContact O-CG 3.5Å; F56-R79 PolarHBondContact O-NE 3.11Å; F56-L80 HydrophobicContact CB-CD2 4.2Å; F56-L80 HydrophobicContact CD1-CD2 3.64Å; F56-L80 HydrophobicContact CD2-CD2 3.98Å; F56-L80 HydrophobicContact CE1-CD2 3.94Å; F56-L80 HydrophobicContact CE2-CD2 4.24Å; F56-L80 HydrophobicContact CG-CD2 3.66Å; F56-L80 HydrophobicContact CZ-CD2 4.23Å; F56-L83 HydrophobicContact CB-CD1 4.12Å; F56-L83 HydrophobicContact CD1-CD1 3.9Å
57C91.9Very high92.2Very high22 Ų2251.5 Ų51.515%0.14927%0.265CS..THydrogen-bonded Turntrans-106.6-10-176.4-71.60000113.4C54 I55 K59 H70C54-C57 PolarHBondContact O-N 3.42Å; I55-C57 PolarHBondContact O-N 3.36Å; C57-K59 HydrophobicContact CB-CB 4.48Å; C57-K59 HydrophobicContact CB-CD 4.36Å; C57-K59 HydrophobicContact CB-CG 4.29Å; C57-H70 VanDerWaalsContact SG-CE1 3.59Å; C57-H70 PolarHBondContact SG-NE2 2.83Å; C57-H70 VanDerWaalsContact SG-NE2 3.42Å
58D92.8Very high92.3Very high40 Ų4051.6 Ų51.621%0.21426%0.262CS..THydrogen-bonded Turntrans48.656.9-170.9-165.252.6000111.8R18 I23 R35 F53 C54 I55R18-D58 HydrophobicContact CB-CB 4.31Å; R18-D58 WeakPolarHBondContact CD-OD2 3.07Å; R18-D58 HydrophobicContact CG-CB 4.41Å; R18-D58 WeakPolarHBondContact CG-OD2 3.29Å; I23-D58 HydrophobicContact CD1-CB 4.23Å; R35-D58 IonicContact CZ-OD1 3.89Å; R35-D58 IonicContact NH2-OD1 2.77Å; R35-D58 PolarHBondContact NH2-OD1 3.2Å; F53-D58 WeakPolarHBondContact CE2-OD1 3.35Å; F53-D58 VanDerWaalsContact CZ-OD1 3.26Å; F53-D58 WeakPolarHBondContact CZ-OD1 3.28Å; C54-D58 WeakPolarHBondContact O-CA 3.32Å; C54-D58 PolarHBondContact O-N 3.04Å; I55-D58 PolarHBondContact O-N 3.45Å
59K92.2Very high92.6Very high99 Ų9954.9 Ų54.943%0.4327%0.274SS..EExtended strand (participates in β ladder)trans-133137-177.1-72.8-175.6-174.2-55.90111.7F53 C54 C57 F61F53-K59 WeakPolarHBondContact CD2-O 3.5Å; C54-K59 PolarHBondContact N-O 3.37Å; C54-K59 PolarHBondContact O-N 2.92Å; C57-K59 HydrophobicContact CB-CB 4.48Å; C57-K59 HydrophobicContact CB-CD 4.36Å; C57-K59 HydrophobicContact CB-CG 4.29Å; K59-F61 HydrophobicContact CB-CE2 3.99Å; K59-F61 HydrophobicContact CB-CZ 4.08Å
60Y93.8Very high92.8Very high60 Ų6052 Ų5224%0.23526%0.258CS..EExtended strand (participates in β ladder)trans-96.3146172.4-57.1-85.6000110.4A39 K46 P47 F52 F53A39-Y60 HydrophobicContact CB-CE1 4.34Å; K46-Y60 HydrophobicContact CD-CD1 4.29Å; K46-Y60 HydrophobicContact CD-CE1 3.79Å; K46-Y60 HydrophobicContact CD-CE2 4.22Å; P47-Y60 VanDerWaalsContact CG-CB 3.47Å; F52-Y60 CarbonylContact O-C 3.53Å; F52-Y60 WeakPolarHBondContact O-CA 2.97Å; F53-Y60 HydrophobicContact CB-CD1 4.12Å; F53-Y60 HydrophobicContact CB-CE1 4.2Å; F53-Y60 AromaticContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD1 3.64Å; F53-Y60 HydrophobicContact CD2-CD2 4.4Å; F53-Y60 AromaticContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE1 3.44Å; F53-Y60 VanDerWaalsContact CD2-CE1 3.44Å; F53-Y60 HydrophobicContact CD2-CE2 4.24Å; F53-Y60 HydrophobicContact CD2-CG 4.12Å; F53-Y60 AromaticContact CD2-CZ 3.77Å; F53-Y60 HydrophobicContact CE2-CE1 4.07Å; F53-Y60 HydrophobicContact CE2-CE2 4.22Å; F53-Y60 AromaticContact CE2-CZ 3.91Å; F53-Y60 HydrophobicContact CG-CD1 4.27Å; F53-Y60 HydrophobicContact CG-CE1 4.04Å
61F94.6Very high93.1Very high34 Ų3456.6 Ų56.615%0.14928%0.278CS..EExtended strand (participates in β ladder)trans-125.1161.5-179.4-66.9-79.9000110.1P47 F52 C54 K59 L67 H70P47-F61 CarbonylContact C-O 3.59Å; F52-F61 HydrophobicContact CB-CB 3.96Å; F52-F61 PolarHBondContact O-N 3.32Å; C54-F61 HydrophobicContact CB-CE2 3.95Å; K59-F61 HydrophobicContact CB-CE2 3.99Å; K59-F61 HydrophobicContact CB-CZ 4.08Å; F61-L67 HydrophobicContact CB-CB 4.33Å; F61-L67 HydrophobicContact CD2-CB 4.16Å; F61-L67 HydrophobicContact CD2-CG 4.25Å; F61-L67 HydrophobicContact CG-CB 4.29Å; F61-H70 HydrophobicContact CE1-CB 3.72Å; F61-H70 AromaticContact CE1-CG 3.94Å; F61-H70 HydrophobicContact CE2-CB 4.08Å; F61-H70 AromaticContact CE2-CD2 3.73Å; F61-H70 AromaticContact CE2-CG 3.79Å; F61-H70 HydrophobicContact CZ-CB 3.45Å; F61-H70 VanDerWaalsContact CZ-CB 3.45Å; F61-H70 AromaticContact CZ-CD2 3.6Å; F61-H70 AromaticContact CZ-CE1 3.97Å; F61-H70 AromaticContact CZ-CG 3.19Å; F61-H70 AromaticContact CZ-ND1 3.47Å; F61-H70 WeakPolarHBondContact CZ-ND1 3.41Å
62I93.3Very high93.3Very high113 Ų11360.6 Ų60.658%0.57929%0.294SS*.SBendtrans-83.3-41.5-178.8-58.1165.6000110.4P47 F52P47-I62 HydrophobicContact CB-CG1 4.11Å; F52-I62 WeakPolarHBondContact CD2-O 3.36Å; F52-I62 WeakPolarHBondContact CE2-O 3.4Å
63D93Very high93.4Very high83 Ų8363.3 Ų63.344%0.44431%0.308SS..SBendtrans-131.2155.8-174.1-55.6-44000112.2I65 T66 L67D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.62Å; D63-T66 HydrophobicContact CB-CG2 4.41Å; D63-T66 PolarHBondContact N-OG1 3.47Å; D63-T66 PolarHBondContact O-N 3.5Å; D63-T66 VanDerWaalsContact O-N 3.12Å; D63-T66 PolarHBondContact O-OG1 3.48Å; D63-L67 PolarHBondContact O-N 3.21Å
64Q93.4Very high93.6Very high86 Ų8669.6 Ų69.640%0.40234%0.335SS..Hα-helixtrans-55.6-40171.8-172.357.833.200112.6F52 T66 L67 D68F52-Q64 HydrophobicContact CD1-CB 4.07Å; F52-Q64 VanDerWaalsContact CD1-OE1 3.29Å; F52-Q64 HydrophobicContact CE1-CB 3.64Å; F52-Q64 HydrophobicContact CZ-CB 4.34Å; Q64-T66 VanDerWaalsContact C-N 3.29Å; Q64-T66 PolarHBondContact O-N 3.48Å; Q64-L67 WeakPolarHBondContact O-CB 3.34Å; Q64-L67 PolarHBondContact O-N 3Å; Q64-D68 PolarHBondContact NE2-OD1 3.5Å; Q64-D68 PolarHBondContact O-N 3.43Å
65I95.1Very high93.7Very high123 Ų12373.3 Ų73.363%0.63136%0.359SS*.Hα-helixtrans-59.7-43179.9-62.4163.3000110.4D63 D68 L69D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.62Å; I65-D68 PolarHBondContact O-N 2.97Å; I65-L69 HydrophobicContact CG2-CD1 4.24Å; I65-L69 WeakPolarHBondContact O-CG 3.14Å; I65-L69 PolarHBondContact O-N 2.67Å
66T94.4Very high93.8Very high52 Ų5272.7 Ų72.732%0.31936%0.356SS..Hα-helixtrans-68.9-34.9-179.560.30000112.5D63 Q64 L69 H70D63-T66 HydrophobicContact CB-CG2 4.41Å; D63-T66 PolarHBondContact N-OG1 3.47Å; D63-T66 PolarHBondContact O-N 3.5Å; D63-T66 VanDerWaalsContact O-N 3.12Å; D63-T66 PolarHBondContact O-OG1 3.48Å; Q64-T66 VanDerWaalsContact C-N 3.29Å; Q64-T66 PolarHBondContact O-N 3.48Å; T66-L69 PolarHBondContact O-N 3.2Å; T66-H70 WeakPolarHBondContact O-CB 3.41Å; T66-H70 PolarHBondContact O-N 3.47Å
67L94Very high93.8Very high8 Ų876.6 Ų76.64%0.04237%0.373CS..Hα-helixtrans-64.8-44.9173.3-174.9165000111.1F52 F61 D63 Q64 L69 H70 K71F52-L67 HydrophobicContact CB-CD1 3.95Å; F61-L67 HydrophobicContact CB-CB 4.33Å; F61-L67 HydrophobicContact CD2-CB 4.16Å; F61-L67 HydrophobicContact CD2-CG 4.25Å; F61-L67 HydrophobicContact CG-CB 4.29Å; D63-L67 PolarHBondContact O-N 3.21Å; Q64-L67 WeakPolarHBondContact O-CB 3.34Å; Q64-L67 PolarHBondContact O-N 3Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.25Å; L67-H70 WeakPolarHBondContact O-CB 3.28Å; L67-H70 PolarHBondContact O-N 3.26Å; L67-H70 VanDerWaalsContact O-N 3.16Å; L67-K71 HydrophobicContact CD2-CD 3.69Å; L67-K71 HydrophobicContact CD2-CG 4.19Å; L67-K71 VanDerWaalsContact CD2-NZ 3.26Å; L67-K71 WeakPolarHBondContact O-CG 3.28Å; L67-K71 PolarHBondContact O-N 3.27Å
68D94.5Very high93.9Very high62 Ų6284.1 Ų84.133%0.33240%0.398SS..Hα-helixtrans-67.2-36.3178.6-70-25000112.2Q64 I65 K72Q64-D68 PolarHBondContact NE2-OD1 3.5Å; Q64-D68 PolarHBondContact O-N 3.43Å; I65-D68 PolarHBondContact O-N 2.97Å; D68-K72 WeakPolarHBondContact O-CG 3.39Å; D68-K72 PolarHBondContact O-N 3.31Å
69L95.4Very high93.8Very high92 Ų9284.7 Ų84.748%0.48240%0.397SS..Hα-helixtrans-62.9-45.7169.6-72.1174.9000110.9I65 T66 L67 K71 K72 Q73I65-L69 HydrophobicContact CG2-CD1 4.24Å; I65-L69 WeakPolarHBondContact O-CG 3.14Å; I65-L69 PolarHBondContact O-N 2.67Å; T66-L69 PolarHBondContact O-N 3.2Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.25Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 2.99Å; L69-K72 WeakPolarHBondContact O-CB 3.49Å; L69-K72 PolarHBondContact O-N 3.2Å; L69-K72 VanDerWaalsContact O-N 3.08Å; L69-Q73 WeakPolarHBondContact O-CG 3.4Å; L69-Q73 PolarHBondContact O-N 3.02Å
70H94.2Very high93.8Very high23 Ų2382.2 Ų82.211%0.10639%0.388CS..Hα-helixtrans-55.5-46.4177.8167.575.4000112.3C57 F61 T66 L67 K72 Q73 H76C57-H70 VanDerWaalsContact SG-CE1 3.59Å; C57-H70 PolarHBondContact SG-NE2 2.83Å; C57-H70 VanDerWaalsContact SG-NE2 3.42Å; F61-H70 HydrophobicContact CE1-CB 3.72Å; F61-H70 AromaticContact CE1-CG 3.94Å; F61-H70 HydrophobicContact CE2-CB 4.08Å; F61-H70 AromaticContact CE2-CD2 3.73Å; F61-H70 AromaticContact CE2-CG 3.79Å; F61-H70 HydrophobicContact CZ-CB 3.45Å; F61-H70 VanDerWaalsContact CZ-CB 3.45Å; F61-H70 AromaticContact CZ-CD2 3.6Å; F61-H70 AromaticContact CZ-CE1 3.97Å; F61-H70 AromaticContact CZ-CG 3.19Å; F61-H70 AromaticContact CZ-ND1 3.47Å; F61-H70 WeakPolarHBondContact CZ-ND1 3.41Å; T66-H70 WeakPolarHBondContact O-CB 3.41Å; T66-H70 PolarHBondContact O-N 3.47Å; L67-H70 WeakPolarHBondContact O-CB 3.28Å; L67-H70 PolarHBondContact O-N 3.26Å; L67-H70 VanDerWaalsContact O-N 3.16Å; H70-K72 PolarHBondContact O-N 3.33Å; H70-Q73 WeakPolarHBondContact O-CB 3.12Å; H70-Q73 PolarHBondContact O-N 3.36Å; H70-H76 AromaticContact CD2-ND1 3.7Å; H70-H76 AromaticContact NE2-CG 3.9Å; H70-H76 AromaticContact NE2-ND1 3.16Å; H70-H76 PolarHBondContact NE2-ND1 3.46Å; H70-H76 VanDerWaalsContact NE2-ND1 3.16Å; H70-H76 VanDerWaalsContact O-CB 3.28Å; H70-H76 WeakPolarHBondContact O-CB 3.47Å
71K93Very high93.6Very high97 Ų9786 Ų8642%0.42241%0.406SS..Hα-helixtrans-56.5-33.7177.3-74172.9171.8166.20112.7L67 L69 H76L67-K71 HydrophobicContact CD2-CD 3.69Å; L67-K71 HydrophobicContact CD2-CG 4.19Å; L67-K71 VanDerWaalsContact CD2-NZ 3.26Å; L67-K71 WeakPolarHBondContact O-CG 3.28Å; L67-K71 PolarHBondContact O-N 3.27Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 2.99Å; K71-H76 PolarHBondContact O-CD2 3.08Å; K71-H76 VanDerWaalsContact O-CD2 3.31Å
72K93.9Very high93.4Very high147 Ų14786.8 Ų86.864%0.63942%0.415SS*.Hα-helixtrans-78.5-22.3179.2-65171.8-173.9176.20113.1D68 L69 H70 K77D68-K72 WeakPolarHBondContact O-CG 3.39Å; D68-K72 PolarHBondContact O-N 3.31Å; L69-K72 WeakPolarHBondContact O-CB 3.49Å; L69-K72 PolarHBondContact O-N 3.2Å; L69-K72 VanDerWaalsContact O-N 3.08Å; H70-K72 PolarHBondContact O-N 3.33Å; K72-K77 WeakPolarHBondContact O-CE 3.43Å
73Q95Very high93.2Very high101 Ų10181.4 Ų81.447%0.47239%0.388SS..SBendtrans-68148.7-174.7-66.3-55.1-40.800113.2L69 H70 P75 H76 K77L69-Q73 WeakPolarHBondContact O-CG 3.4Å; L69-Q73 PolarHBondContact O-N 3.02Å; H70-Q73 WeakPolarHBondContact O-CB 3.12Å; H70-Q73 PolarHBondContact O-N 3.36Å; Q73-P75 HydrophobicContact CB-CG 3.81Å; Q73-H76 PolarHBondContact O-N 3.42Å; Q73-K77 PolarHBondContact O-N 3.4Å
74K95.5Very high93Very high156 Ų15682 Ų8268%0.67839%0.388SS*.Hα-helixtrans-52.8-44.4174.9-65-176.3-179.41800114.8H76 K77 R78K74-H76 VanDerWaalsContact C-N 3.29Å; K74-H76 PolarHBondContact O-N 3.21Å; K74-K77 PolarHBondContact O-N 3.03Å; K74-R78 WeakPolarHBondContact O-CG 3.39Å; K74-R78 PolarHBondContact O-N 3.2Å
75P94.2Very high92.6Very high83 Ų8384.4 Ų84.454%0.53940%0.399SS..Hα-helixtrans-54.7-42.3176.418.5-35.6000113.4Q73 R78 R79Q73-P75 HydrophobicContact CB-CG 3.81Å; P75-R78 PolarHBondContact O-N 3.16Å; P75-R79 PolarHBondContact O-N 3.31Å
76H93.2Very high92.2Very high12 Ų1281.4 Ų81.46%0.05639%0.388CS..Hα-helixtrans-64.2-48.2178.5-176.482.1000110.9C54 F56 H70 K71 Q73 K74 R78 R79 L80C54-H76 VanDerWaalsContact SG-CE1 3.52Å; F56-H76 AromaticContact CD2-CE1 3.81Å; H70-H76 AromaticContact CD2-ND1 3.7Å; H70-H76 AromaticContact NE2-CG 3.9Å; H70-H76 AromaticContact NE2-ND1 3.16Å; H70-H76 PolarHBondContact NE2-ND1 3.46Å; H70-H76 VanDerWaalsContact NE2-ND1 3.16Å; H70-H76 VanDerWaalsContact O-CB 3.28Å; H70-H76 WeakPolarHBondContact O-CB 3.47Å; K71-H76 PolarHBondContact O-CD2 3.08Å; K71-H76 VanDerWaalsContact O-CD2 3.31Å; Q73-H76 PolarHBondContact O-N 3.42Å; K74-H76 VanDerWaalsContact C-N 3.29Å; K74-H76 PolarHBondContact O-N 3.21Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.95Å; H76-R79 WeakPolarHBondContact O-CA 3.38Å; H76-R79 WeakPolarHBondContact O-CB 3.41Å; H76-R79 PolarHBondContact O-N 3.37Å; H76-L80 PolarHBondContact O-N 2.75Å
77K92.4Very high91.9Very high116 Ų11680.5 Ų80.550%0.50438%0.383SS..Hα-helixtrans-59.8-35.2175.8-62.8-178.7-179.1-177.50113.2K72 Q73 K74 K81K72-K77 WeakPolarHBondContact O-CE 3.43Å; Q73-K77 PolarHBondContact O-N 3.4Å; K74-K77 PolarHBondContact O-N 3.03Å; K77-K81 WeakPolarHBondContact O-CG 3.27Å; K77-K81 PolarHBondContact O-N 3.27Å
78R93Very high91.6Very high180 Ų18086.6 Ų86.668%0.67941%0.411SS*.Hα-helixtrans-66.1-41.2173.5-74.2176.8178.1-176.6-1.8111.4K74 P75 H76 K81 S82K74-R78 WeakPolarHBondContact O-CG 3.39Å; K74-R78 PolarHBondContact O-N 3.2Å; P75-R78 PolarHBondContact O-N 3.16Å; H76-R78 VanDerWaalsContact C-N 3.27Å; H76-R78 PolarHBondContact O-N 2.95Å; R78-K81 PolarHBondContact O-N 3.04Å; R78-S82 PolarHBondContact O-N 3.43Å; R78-S82 VanDerWaalsContact O-N 3.07Å; R78-S82 PolarHBondContact O-OG 3.33Å
79R92.2Very high91.4Very high51 Ų5186.1 Ų86.119%0.19241%0.41CS..Hα-helixtrans-64.6-41.6177.7-171.558167.7-167.41.5111.9R18 D19 F56 P75 H76 K81 S82 L83R18-R79 PolarHBondContact O-NH2 3.01Å; D19-R79 PolarHBondContact O-NH2 3.31Å; F56-R79 WeakPolarHBondContact O-CG 3.5Å; F56-R79 PolarHBondContact O-NE 3.11Å; P75-R79 PolarHBondContact O-N 3.31Å; H76-R79 WeakPolarHBondContact O-CA 3.38Å; H76-R79 WeakPolarHBondContact O-CB 3.41Å; H76-R79 PolarHBondContact O-N 3.37Å; R79-K81 PolarHBondContact O-N 3.3Å; R79-S82 PolarHBondContact O-N 3.34Å; R79-L83 HydrophobicContact CG-CD1 4.15Å; R79-L83 WeakPolarHBondContact O-CG 3.47Å; R79-L83 PolarHBondContact O-N 3.04Å
80L91.7Very high91.1Very high48 Ų4888 Ų8825%0.25142%0.417SS..Hα-helixtrans-58.1-46.7174.3-67.8176.6000111.7F56 H76 S82 L83 E84F56-L80 HydrophobicContact CB-CD2 4.2Å; F56-L80 HydrophobicContact CD1-CD2 3.64Å; F56-L80 HydrophobicContact CD2-CD2 3.98Å; F56-L80 HydrophobicContact CE1-CD2 3.94Å; F56-L80 HydrophobicContact CE2-CD2 4.24Å; F56-L80 HydrophobicContact CG-CD2 3.66Å; F56-L80 HydrophobicContact CZ-CD2 4.23Å; H76-L80 PolarHBondContact O-N 2.75Å; L80-S82 VanDerWaalsContact C-N 3.35Å; L80-S82 PolarHBondContact O-N 3.04Å; L80-L83 CarbonylContact O-C 3.14Å; L80-L83 WeakPolarHBondContact O-CA 3.5Å; L80-L83 PolarHBondContact O-N 2.96Å; L80-E84 PolarHBondContact O-N 3.49Å; L80-E84 VanDerWaalsContact O-N 3.08Å
81K90.1Very high90.8Very high139 Ų13992.2 Ų92.260%0.60444%0.436SS*.Hα-helixtrans-59.5-42.3175.4-70.5-178.4178.2-162.60113K77 R78 R79 L83 E84K77-K81 WeakPolarHBondContact O-CG 3.27Å; K77-K81 PolarHBondContact O-N 3.27Å; R78-K81 PolarHBondContact O-N 3.04Å; R79-K81 PolarHBondContact O-N 3.3Å; K81-L83 PolarHBondContact O-N 3.23Å; K81-E84 WeakPolarHBondContact O-CB 3.4Å; K81-E84 PolarHBondContact O-N 3.02Å; K81-E84 VanDerWaalsContact O-N 3.14Å
82S90.1Very high90.6Very high50 Ų5088.9 Ų88.935%0.3542%0.423SS..Hα-helixtrans-65.3-24.8175.7-61.30000113.6R78 R79 L80R78-S82 PolarHBondContact O-N 3.43Å; R78-S82 VanDerWaalsContact O-N 3.07Å; R78-S82 PolarHBondContact O-OG 3.33Å; R79-S82 PolarHBondContact O-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.35Å; L80-S82 PolarHBondContact O-N 3.04Å
83L89.8Confident90.4Very high1 Ų183.4 Ų83.41%0.00541%0.405CS..THydrogen-bonded Turntrans-90.2-3.5176-70.2166.8000112.3I20 I23 L27 F56 R79 L80 K81 C112 I113I20-L83 HydrophobicContact CG2-CD2 3.94Å; I23-L83 HydrophobicContact CB-CD2 4.32Å; I23-L83 HydrophobicContact CG2-CD1 4.05Å; I23-L83 HydrophobicContact CG2-CD2 3.98Å; L27-L83 HydrophobicContact CD1-CD1 4.01Å; L27-L83 HydrophobicContact CD1-CD2 4.29Å; F56-L83 HydrophobicContact CB-CD1 4.12Å; F56-L83 HydrophobicContact CD1-CD1 3.9Å; R79-L83 HydrophobicContact CG-CD1 4.15Å; R79-L83 WeakPolarHBondContact O-CG 3.47Å; R79-L83 PolarHBondContact O-N 3.04Å; L80-L83 CarbonylContact O-C 3.14Å; L80-L83 WeakPolarHBondContact O-CA 3.5Å; L80-L83 PolarHBondContact O-N 2.96Å; K81-L83 PolarHBondContact O-N 3.23Å; L83-C112 PolarHBondContact O-SG 3.14Å; L83-I113 HydrophobicContact CB-CD1 3.77Å; L83-I113 HydrophobicContact CB-CG1 4.26Å; L83-I113 WeakPolarHBondContact O-CD1 3.34Å; L83-I113 WeakPolarHBondContact O-CG1 3.44Å
84E87.4Confident90.2Very high96 Ų9680.7 Ų80.745%0.44939%0.394SS..THydrogen-bonded Turntrans-76.4-40.3170.7-73.2166.8-167.900110L80 K81 K110 R111 C112 I113L80-E84 PolarHBondContact O-N 3.49Å; L80-E84 VanDerWaalsContact O-N 3.08Å; K81-E84 WeakPolarHBondContact O-CB 3.4Å; K81-E84 PolarHBondContact O-N 3.02Å; K81-E84 VanDerWaalsContact O-N 3.14Å; E84-K110 CarbonylContact C-O 3.53Å; E84-K110 CarbonylContact O-C 3.56Å; E84-R111 WeakPolarHBondContact O-CA 3.49Å; E84-R111 PolarHBondContact O-N 3.28Å; E84-C112 PolarHBondContact O-N 2.9Å; E84-I113 HydrophobicContact CG-CD1 4.35Å
85E86.1Confident89.8Confident136 Ų13676.7 Ų76.764%0.63638%0.377SS*.SBendtrans-67145.5176.2-64.8175.9173.900111.4C112E85-C112 PolarHBondContact O-SG 3.11Å
86P85.6Confident89.6Confident59 Ų5976.9 Ų76.938%0.38339%0.385SS..PPolyproline II helixtrans-60.6136.8173.627-34.2000110
87P88.8Confident89.5Confident34 Ų3479.6 Ų79.622%0.22141%0.41CS..PPolyproline II helixtrans-64.3138.8178.330-37.3000110.2D21 S24 T89D21-P87 HydrophobicContact CB-CB 4.01Å; S24-P87 WeakPolarHBondContact OG-CG 3.27Å; P87-T89 PolarHBondContact O-N 3.21Å
88H87.7Confident89.2Confident135 Ų13577.2 Ų77.263%0.62542%0.419SS*.PPolyproline II helixtrans-72127.4173.2-176.460.8000110.3D92H88-D92 WeakPolarHBondContact ND1-CB 3.38Å; H88-D92 IonicContact ND1-OD2 3.88Å
89T89.4Confident89Confident53 Ų5374.9 Ų74.933%0.32542%0.418SS..  trans-111.4163.8-179.862.30000111.4P87 E91 D92 A93P87-T89 PolarHBondContact O-N 3.21Å; T89-E91 PolarHBondContact O-N 3.21Å; T89-D92 PolarHBondContact N-OD2 3.14Å; T89-D92 WeakPolarHBondContact O-CB 3.28Å; T89-D92 PolarHBondContact O-N 3.45Å; T89-D92 PolarHBondContact OG1-N 3.28Å; T89-D92 PolarHBondContact OG1-OD2 3.28Å; T89-A93 PolarHBondContact O-N 3.37Å
90Q89.5Confident88.1Confident132 Ų13275.5 Ų75.562%0.61743%0.425SS*.Hα-helixtrans-60.1-34.8174.6-176.160.239.900111.7D92 A93 D94Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 3.36Å; Q90-A93 WeakPolarHBondContact O-CB 3.39Å; Q90-A93 PolarHBondContact O-N 2.95Å; Q90-A93 VanDerWaalsContact O-N 3.08Å; Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 PolarHBondContact O-N 3.08Å
91E88.4Confident87Confident110 Ų11081.3 Ų81.351%0.51445%0.448SS..Hα-helixtrans-62-38.8177.4-60177.4175.700112T89 A93 D94 F95 L100 Y104T89-E91 PolarHBondContact O-N 3.21Å; E91-A93 VanDerWaalsContact C-N 3.27Å; E91-A93 PolarHBondContact O-N 2.94Å; E91-D94 PolarHBondContact O-N 3.4Å; E91-F95 VanDerWaalsContact O-CB 3.28Å; E91-F95 WeakPolarHBondContact O-CB 3.4Å; E91-F95 PolarHBondContact O-N 2.87Å; E91-L100 HydrophobicContact CB-CD2 4.21Å; E91-Y104 HydrophobicContact CB-CD2 4.4Å; E91-Y104 HydrophobicContact CB-CE2 3.76Å
92D88.1Confident86.1Confident27 Ų2782.2 Ų82.214%0.14446%0.46CS..Hα-helixtrans-60.1-39.9173.5-69-68.5000111.4H88 T89 Q90 A96 Y104H88-D92 WeakPolarHBondContact ND1-CB 3.38Å; H88-D92 IonicContact ND1-OD2 3.88Å; T89-D92 PolarHBondContact N-OD2 3.14Å; T89-D92 WeakPolarHBondContact O-CB 3.28Å; T89-D92 PolarHBondContact O-N 3.45Å; T89-D92 PolarHBondContact OG1-N 3.28Å; T89-D92 PolarHBondContact OG1-OD2 3.28Å; Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 3.36Å; D92-A96 WeakPolarHBondContact O-CB 3.43Å; D92-A96 PolarHBondContact O-N 3.21Å; D92-Y104 WeakPolarHBondContact OD1-CE1 3.45Å; D92-Y104 PolarHBondContact OD1-OH 3.08Å; D92-Y104 PolarHBondContact OD2-OH 2.82Å
93A90.6Very high85.4Confident32 Ų3286.4 Ų86.426%0.26448%0.478SS..Hα-helixtrans-70-42.9179.100000111.7T89 Q90 E91 A96 A97T89-A93 PolarHBondContact O-N 3.37Å; Q90-A93 WeakPolarHBondContact O-CB 3.39Å; Q90-A93 PolarHBondContact O-N 2.95Å; Q90-A93 VanDerWaalsContact O-N 3.08Å; E91-A93 VanDerWaalsContact C-N 3.27Å; E91-A93 PolarHBondContact O-N 2.94Å; A93-A96 PolarHBondContact O-N 3.36Å; A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 2.87Å
94D90.8Very high84.8Confident44 Ų4488.7 Ų88.724%0.23549%0.487CS..Hα-helixtrans-67.9-36.2178.4-64.8-19.7000111.7Q90 E91 A97 G98 I99 L100Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 PolarHBondContact O-N 3.08Å; E91-D94 PolarHBondContact O-N 3.4Å; D94-A97 PolarHBondContact O-N 3.41Å; D94-G98 PolarHBondContact O-N 2.85Å; D94-G98 VanDerWaalsContact O-N 3.16Å; D94-I99 HydrophobicContact CB-CB 4.44Å; D94-I99 PolarHBondContact O-N 2.78Å; D94-L100 HydrophobicContact CB-CD1 4.35Å
95F87.7Confident84Confident72 Ų7292.8 Ų92.832%0.31650%0.503SS..Hα-helixtrans-63.8-46.3171.4179.1-102.9000111.2E91 A97 G98 L100 Y104 I106E91-F95 VanDerWaalsContact O-CB 3.28Å; E91-F95 WeakPolarHBondContact O-CB 3.4Å; E91-F95 PolarHBondContact O-N 2.87Å; F95-A97 VanDerWaalsContact C-N 3.25Å; F95-A97 PolarHBondContact O-N 3.33Å; F95-G98 PolarHBondContact O-N 3.45Å; F95-L100 HydrophobicContact CB-CB 4.27Å; F95-L100 HydrophobicContact CB-CD2 4.48Å; F95-Y104 HydrophobicContact CB-CD1 3.72Å; F95-Y104 HydrophobicContact CB-CE1 4.25Å; F95-Y104 HydrophobicContact CB-CG 4.32Å; F95-Y104 AromaticContact CD1-CD1 3.95Å; F95-Y104 HydrophobicContact CD1-CD1 3.95Å; F95-Y104 AromaticContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CG 4.22Å; F95-Y104 AromaticContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CE1 4.39Å; F95-Y104 HydrophobicContact CG-CG 4.28Å; F95-I106 HydrophobicContact CD1-CD1 4.42Å; F95-I106 HydrophobicContact CE1-CD1 4.16Å; F95-I106 HydrophobicContact CE1-CG1 4.49Å
96A89Confident83.3Confident87 Ų8791.1 Ų91.172%0.71950%0.498SS*.Hα-helixtrans-64.3-29.617600000113D92 A93 G98D92-A96 WeakPolarHBondContact O-CB 3.43Å; D92-A96 PolarHBondContact O-N 3.21Å; A93-A96 PolarHBondContact O-N 3.36Å; A96-G98 VanDerWaalsContact C-N 3.29Å
97A91.5Very high82.4Confident70 Ų7091.1 Ų91.158%0.57950%0.499SS*.THydrogen-bonded Turntrans-78.4-9.6174.100000113.8A93 D94 F95 I99A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 2.87Å; D94-A97 PolarHBondContact O-N 3.41Å; F95-A97 VanDerWaalsContact C-N 3.25Å; F95-A97 PolarHBondContact O-N 3.33Å; A97-I99 HydrophobicContact CB-CD1 4.17Å; A97-I99 HydrophobicContact CB-CG1 4.23Å
98G86.4Confident81.2Confident66 Ų6695 Ų9568%0.6853%0.527SS*.THydrogen-bonded Turntrans78.120.9-178.800000114.8D94 F95 A96D94-G98 PolarHBondContact O-N 2.85Å; D94-G98 VanDerWaalsContact O-N 3.16Å; F95-G98 PolarHBondContact O-N 3.45Å; A96-G98 VanDerWaalsContact C-N 3.29Å
99I87.7Confident80Confident130 Ų13096.1 Ų96.167%0.66753%0.53SS*.  trans-89.3-34.3179.5-60.6172.9000111.3D94 A97D94-I99 HydrophobicContact CB-CB 4.44Å; D94-I99 PolarHBondContact O-N 2.78Å; A97-I99 HydrophobicContact CB-CD1 4.17Å; A97-I99 HydrophobicContact CB-CG1 4.23Å
100L73.7Confident78.6Confident64 Ų64102.2 Ų102.234%0.33555%0.552SS.*SBendtrans-84.7154.2-173.7-14274.7000112.6E91 D94 F95 Y104E91-L100 HydrophobicContact CB-CD2 4.21Å; D94-L100 HydrophobicContact CB-CD1 4.35Å; F95-L100 HydrophobicContact CB-CB 4.27Å; F95-L100 HydrophobicContact CB-CD2 4.48Å; L100-Y104 HydrophobicContact CD2-CD2 3.87Å; L100-Y104 HydrophobicContact CD2-CG 3.93Å
101K69.8Low77.2Confident170 Ų170105 Ų10574%0.73956%0.557SS**  trans-64149.4178.6-66.6177.7-179.91740111.9D103 Y104K101-D103 PolarHBondContact O-N 3.49Å; K101-Y104 PolarHBondContact O-N 3.07Å
102D69.3Low76Confident159 Ų159102.3 Ų102.385%0.8555%0.55SS*.THydrogen-bonded Turntrans-56.2-11.7-177.4-61.8-49.9000115.5Y104D102-Y104 VanDerWaalsContact C-N 3.3Å; D102-Y104 PolarHBondContact O-N 3.4Å
103D76.4Confident75Confident137 Ų137102.7 Ų102.773%0.73355%0.552SS**THydrogen-bonded Turntrans-77.5-13.1-177.5-58.4-43.2000113.8K101 K105K101-D103 PolarHBondContact O-N 3.49Å; D103-K105 PolarHBondContact O-N 3.26Å
104Y76.4Confident73.5Confident50 Ų50102.6 Ų102.620%0.19655%0.549CS..  trans-68.8121.9-179.1-175.2-98.4000111.5E91 D92 F95 L100 K101 D102 I106E91-Y104 HydrophobicContact CB-CD2 4.4Å; E91-Y104 HydrophobicContact CB-CE2 3.76Å; D92-Y104 WeakPolarHBondContact OD1-CE1 3.45Å; D92-Y104 PolarHBondContact OD1-OH 3.08Å; D92-Y104 PolarHBondContact OD2-OH 2.82Å; F95-Y104 HydrophobicContact CB-CD1 3.72Å; F95-Y104 HydrophobicContact CB-CE1 4.25Å; F95-Y104 HydrophobicContact CB-CG 4.32Å; F95-Y104 AromaticContact CD1-CD1 3.95Å; F95-Y104 HydrophobicContact CD1-CD1 3.95Å; F95-Y104 AromaticContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CD1 3.91Å; F95-Y104 HydrophobicContact CD2-CG 4.22Å; F95-Y104 AromaticContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CD1 3.58Å; F95-Y104 HydrophobicContact CG-CE1 4.39Å; F95-Y104 HydrophobicContact CG-CG 4.28Å; L100-Y104 HydrophobicContact CD2-CD2 3.87Å; L100-Y104 HydrophobicContact CD2-CG 3.93Å; K101-Y104 PolarHBondContact O-N 3.07Å; D102-Y104 VanDerWaalsContact C-N 3.3Å; D102-Y104 PolarHBondContact O-N 3.4Å; Y104-I106 HydrophobicContact CE1-CG1 4.1Å
105K70.5Confident72Confident181 Ų181105.2 Ų105.279%0.78757%0.568SS**  trans-111.9115.5178.5-66.3178.6-174.2177.10109.4D103 S107D103-K105 PolarHBondContact O-N 3.26Å; K105-S107 PolarHBondContact O-N 3.11Å; K105-S107 VanDerWaalsContact O-N 3.11Å
106I71.4Confident70.5Confident101 Ų101108.1 Ų108.152%0.51859%0.587SS.*  trans-57118.5168.7-59.6160.9000107.6F95 Y104 S108F95-I106 HydrophobicContact CD1-CD1 4.42Å; F95-I106 HydrophobicContact CE1-CD1 4.16Å; F95-I106 HydrophobicContact CE1-CG1 4.49Å; Y104-I106 HydrophobicContact CE1-CG1 4.1Å; I106-S108 PolarHBondContact O-N 3.36Å
107S67.5Low68.9Low59 Ų59105 Ų10541%0.41356%0.558SS.*  trans-61.9107.9179.8177.90000109.5K105 K109K105-S107 PolarHBondContact O-N 3.11Å; K105-S107 VanDerWaalsContact O-N 3.11Å; S107-K109 PolarHBondContact O-N 3.39Å; S107-K109 VanDerWaalsContact O-N 3.11Å
108S62.7Low66.4Low116 Ų116106.6 Ų106.681%0.81156%0.564SS**  trans-74.14.1177.4-37.60000113I106 K110I106-S108 PolarHBondContact O-N 3.36Å; S108-K110 PolarHBondContact O-N 3.31Å
109K62.5Low64.4Low159 Ų159107 Ų10769%0.69156%0.555SS**  trans-73.4112.8-176.4-66.4-178.2-177.8175.50109.6S107 R111S107-K109 PolarHBondContact O-N 3.39Å; S107-K109 VanDerWaalsContact O-N 3.11Å; K109-R111 PolarHBondContact O-N 3.47Å; K109-R111 VanDerWaalsContact O-N 3.14Å
110K60.6Low62Low181 Ų181109.2 Ų109.279%0.78756%0.562SS**SBendtrans-724-179.9-61.9-175.2177.9-179.90115.2E84 S108E84-K110 CarbonylContact C-O 3.53Å; E84-K110 CarbonylContact O-C 3.56Å; S108-K110 PolarHBondContact O-N 3.31Å
111R61.3Low60Low190 Ų190109.9 Ų109.972%0.71757%0.572SS**  trans-144.7107.7-175.6-65.4-168.5-68.7-171.80.9110E84 K109E84-R111 WeakPolarHBondContact O-CA 3.49Å; E84-R111 PolarHBondContact O-N 3.28Å; K109-R111 PolarHBondContact O-N 3.47Å; K109-R111 VanDerWaalsContact O-N 3.14Å
112C62Low58.7Low54 Ų54108.8 Ų108.837%0.36557%0.573SS.*  trans-95.1-6.2165.757.10000113.4L83 E84 E85L83-C112 PolarHBondContact O-SG 3.14Å; E84-C112 PolarHBondContact O-N 2.9Å; E85-C112 PolarHBondContact O-SG 3.11Å
113I66.4Low57.4Low35 Ų35108.6 Ų108.618%0.17957%0.567CS.*SBendtrans-92.4124.2172.1-52.6162.1000108.5L27 L83 E84 L117L27-I113 HydrophobicContact CD1-CG1 4.48Å; L83-I113 HydrophobicContact CB-CD1 3.77Å; L83-I113 HydrophobicContact CB-CG1 4.26Å; L83-I113 WeakPolarHBondContact O-CD1 3.34Å; L83-I113 WeakPolarHBondContact O-CG1 3.44Å; E84-I113 HydrophobicContact CG-CD1 4.35Å; I113-L117 HydrophobicContact CG2-CB 4.44Å; I113-L117 HydrophobicContact CG2-CD1 4.44Å
114S61Low55.5Low29 Ų29107.4 Ų107.420%0.20357%0.569CS.*  trans-66.5134.7166.151.30000108.8D116 L117S114-D116 PolarHBondContact O-N 3.22Å; S114-L117 PolarHBondContact O-N 2.93Å; S114-L117 WeakPolarHBondContact OG-CD1 3.37Å; S114-L117 VanDerWaalsContact OG-CG 3.29Å; S114-L117 WeakPolarHBondContact OG-CG 3.38Å
115P59.1Low54.6Low100 Ų100109.7 Ų109.765%0.64958%0.584SS**THydrogen-bonded Turntrans-57.8-18.9-176.124.5-33.7000113.1
116D55.4Low53.9Low133 Ų133105.8 Ų105.871%0.71158%0.577SS**THydrogen-bonded Turntrans-85-7.6-174.1-50.4-58.1000114S114 C118S114-D116 PolarHBondContact O-N 3.22Å; D116-C118 PolarHBondContact O-N 3.16Å
117L55.2Low53.2Low21 Ų21106.7 Ų106.711%0.1159%0.59CS.*  trans-78.619.3178.8-72.4165.4000114.4L27 F32 I113 S114 P119L27-L117 VanDerWaalsContact O-CD1 3.28Å; L27-L117 WeakPolarHBondContact O-CD1 3.47Å; F32-L117 HydrophobicContact CD1-CD2 4Å; F32-L117 HydrophobicContact CD2-CD2 3.6Å; F32-L117 HydrophobicContact CE1-CD2 4Å; F32-L117 HydrophobicContact CE2-CD2 3.56Å; F32-L117 HydrophobicContact CG-CD2 3.8Å; F32-L117 HydrophobicContact CZ-CD2 3.78Å; I113-L117 HydrophobicContact CG2-CB 4.44Å; I113-L117 HydrophobicContact CG2-CD1 4.44Å; S114-L117 PolarHBondContact O-N 2.93Å; S114-L117 WeakPolarHBondContact OG-CD1 3.37Å; S114-L117 VanDerWaalsContact OG-CG 3.29Å; S114-L117 WeakPolarHBondContact OG-CG 3.38Å; L117-P119 WeakPolarHBondContact O-CD 3.48Å
118C38.3Very low52.7Low103 Ų103109.6 Ų109.670%0.69661%0.605SS**  trans-103.177.7161.9-166.70000109.5D116 Q120D116-C118 PolarHBondContact O-N 3.16Å; C118-Q120 PolarHBondContact O-N 3.04Å
119P45.6Very low52.1Low76 Ų76109 Ų10949%0.49460%0.6SS.*  trans-70.9106.516928.3-30.8000108.2L117 S121L117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-S121 PolarHBondContact O-N 3.38Å
120Q37.2Very low52Low175 Ų175109.8 Ų109.882%0.81860%0.6SS**  trans-59129.5149.3-63.4-175.1-1400106.3C118C118-Q120 PolarHBondContact O-N 3.04Å
121S31.1Very low52.3Low79 Ų79106.6 Ų106.655%0.55260%0.596SS**  trans59.193170.653.60000117.9P119 Q123P119-S121 PolarHBondContact O-N 3.38Å; S121-Q123 VanDerWaalsContact C-N 3.28Å; S121-Q123 PolarHBondContact O-N 2.9Å
122I41.9Very low52.5Low146 Ų146106.6 Ų106.675%0.74960%0.597SS**  trans-82.592.6131.9-61.7173.1000104.4
123Q42.1Very low53Low155 Ų155110.4 Ų110.472%0.72462%0.619SS**  trans-76.3141.8169.4-87.1164.5-1.800108.8S121S121-Q123 VanDerWaalsContact C-N 3.28Å; S121-Q123 PolarHBondContact O-N 2.9Å
124S36.9Very low52.7Low112 Ų112120.9 Ų120.978%0.78367%0.667SS**  trans62.289.5166.154.30000117.9
125I58.1Low52.3Low98 Ų98125.5 Ų125.550%0.50369%0.69SS.*PPolyproline II helixtrans-77.9128.4146-56.9170.2000106.1Q51Q51-I125 HydrophobicContact CG-CD1 4.49Å
126P56.6Low52Low99 Ų99126.8 Ų126.864%0.64369%0.692SS**PPolyproline II helixtrans-65.4152.2175.528.4-34.2000110.4V128P126-V128 PolarHBondContact O-N 3.34Å
127P55.1Low51.8Low121 Ų121126.5 Ų126.579%0.78669%0.691SS**PPolyproline II helixtrans-58.5126.5178.225.9-33.5000109.5S129P127-S129 PolarHBondContact O-N 3.31Å
128V58.2Low51.6Low120 Ų120132.7 Ų132.773%0.72773%0.725SS**  trans-63.2104.4166.7-178.10000106.5P126 Y130P126-V128 PolarHBondContact O-N 3.34Å; V128-Y130 PolarHBondContact O-N 3.02Å
129S48.8Very low52.4Low102 Ų102134.6 Ų134.671%0.71373%0.727SS**  trans-71.3104.417055.90000108P127 T131P127-S129 PolarHBondContact O-N 3.31Å; S129-T131 PolarHBondContact O-N 3.29Å
130Y61.6Low52.9Low176 Ų176138.5 Ų138.569%0.6974%0.743SS**  trans-74.3111.2164.1-170.1-88.7000107.4V128 Y132V128-Y130 PolarHBondContact O-N 3.02Å; Y130-Y132 AromaticContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CD2 3.48Å; Y130-Y132 VanDerWaalsContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CE2 4.01Å; Y130-Y132 HydrophobicContact CD1-CG 4.21Å; Y130-Y132 HydrophobicContact CE1-CD1 4.49Å; Y130-Y132 AromaticContact CE1-CD2 3.22Å; Y130-Y132 HydrophobicContact CE1-CD2 3.22Å; Y130-Y132 AromaticContact CE1-CE2 3.5Å; Y130-Y132 HydrophobicContact CE1-CE2 3.5Å; Y130-Y132 VanDerWaalsContact CE1-CE2 3.5Å; Y130-Y132 AromaticContact CE1-CG 3.76Å; Y130-Y132 HydrophobicContact CE1-CG 3.76Å; Y130-Y132 PolarHBondContact O-N 3.45Å
131T66Low54Low114 Ų114135.9 Ų135.970%0.69974%0.737SS**  trans-80.9110.9165.245.60000106.7S129 V133S129-T131 PolarHBondContact O-N 3.29Å; T131-V133 PolarHBondContact O-N 2.89Å
132Y65Low55.8Low191 Ų191140.2 Ų140.275%0.74975%0.752SS**  trans-69.6118.9163.6-117.5-87.7000106.3Y130 E134Y130-Y132 AromaticContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CD2 3.48Å; Y130-Y132 VanDerWaalsContact CD1-CD2 3.48Å; Y130-Y132 HydrophobicContact CD1-CE2 4.01Å; Y130-Y132 HydrophobicContact CD1-CG 4.21Å; Y130-Y132 HydrophobicContact CE1-CD1 4.49Å; Y130-Y132 AromaticContact CE1-CD2 3.22Å; Y130-Y132 HydrophobicContact CE1-CD2 3.22Å; Y130-Y132 AromaticContact CE1-CE2 3.5Å; Y130-Y132 HydrophobicContact CE1-CE2 3.5Å; Y130-Y132 VanDerWaalsContact CE1-CE2 3.5Å; Y130-Y132 AromaticContact CE1-CG 3.76Å; Y130-Y132 HydrophobicContact CE1-CG 3.76Å; Y130-Y132 PolarHBondContact O-N 3.45Å; Y132-E134 PolarHBondContact O-N 2.96Å
133V72.8Confident56.9Low134 Ų134139.8 Ų139.881%0.81275%0.752SS**  trans-71.5111.7164.8-179.40000105.8T131T131-V133 PolarHBondContact O-N 2.89Å
134E61.8Low58.3Low255 Ų255138.4 Ų138.4100%1.19275%0.754SS**  trans-72.90163.8-72.6-172.2142.700111.2Y132Y132-E134 PolarHBondContact O-N 2.96Å

Retrieved 134 of 134 residues in 26 ms (Link to these results)