G4VLY0_SCHMA Loading...

Putative translation initiation factor

AlphaFold DB , UniProt , Accession G4VLY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M31.8Very low24.8Very low245 Ų245143.7 Ų143.7100%1.20774%0.744SS**  0156.40-72.7174.4170.900109.3
2L22.7Very low24.8Very low166 Ų166142.1 Ų142.187%0.86973%0.727SS**  trans-80.5163.6166.4-60.4150.7000108.2
3R23.1Very low24.7Very low243 Ų243135.1 Ų135.192%0.91770%0.703SS**  cis-139.3174.821.3-66.5175172.7-170.1-3.2111.8
4K21.6Very low24.6Very low199 Ų199130.8 Ų130.887%0.86569%0.691SS**  trans-104.7154.2170.4-89.5-177.2172.2-179.80111.5
5A23.2Very low24.6Very low82 Ų82127.4 Ų127.468%0.67867%0.672SS**  trans63.9163.6157.500000116.2
6H26.2Very low24.6Very low187 Ų187130.1 Ų130.187%0.86668%0.68SS**  cis-132.517113.7-71.9-102.7000112.9
7S25.6Very low24.6Very low105 Ų105129.1 Ų129.173%0.73467%0.669SS**  trans-98.9125176.655.60000112.9
8G25.6Very low24.6Very low33 Ų33129.8 Ų129.834%0.3467%0.672SS.*  trans-66.4150.7162.500000112.1E37G8-E37 CarbonylContact C-O 3.55Å; G8-E37 WeakPolarHBondContact CA-O 3.42Å
9R25.1Very low24.6Very low212 Ų212126.9 Ų126.980%0.867%0.665SS**  trans-149.2164.8-175.5-121-164.9-166.1-158.69.5114.6E37 S38R9-E37 PolarHBondContact N-O 2.99Å; R9-E37 CarbonylContact O-C 3.3Å; R9-E37 VanDerWaalsContact O-O 3.04Å; R9-S38 PolarHBondContact O-N 3.22Å
10C24.5Very low24.7Very low62 Ų62126.7 Ų126.742%0.41966%0.664SS.*  -133.2142.6-128.6-8.90000118.2S38 C39 A40C10-S38 VanDerWaalsContact CA-C 3.42Å; C10-S38 VanDerWaalsContact CA-O 3.24Å; C10-S38 WeakPolarHBondContact CA-O 3.33Å; C10-S38 VanDerWaalsContact CB-CB 3.43Å; C10-S38 VanDerWaalsContact SG-CB 3.59Å; C10-C39 VanDerWaalsContact CB-O 3.28Å; C10-C39 WeakPolarHBondContact CB-O 3.34Å; C10-A40 HydrophobicContact CB-CB 3.46Å; C10-A40 VanDerWaalsContact CB-CB 3.46Å; C10-A40 PolarHBondContact O-N 3.35Å
11G23.8Very low24.8Very low47 Ų47129.2 Ų129.249%0.48567%0.672SS.*  trans-141.6149169.600000118.7S38 C39 A40G11-S38 PolarHBondContact N-O 2.71Å; G11-S38 VanDerWaalsContact N-O 3.12Å; G11-C39 VanDerWaalsContact N-CA 3.31Å; G11-C39 WeakPolarHBondContact O-CA 3.42Å; G11-C39 WeakPolarHBondContact O-CB 3.29Å; G11-A40 CarbonylContact C-O 3.47Å; G11-A40 VanDerWaalsContact C-O 3.28Å; G11-A40 VanDerWaalsContact CA-O 3.29Å; G11-A40 WeakPolarHBondContact CA-O 3.38Å
12F24.6Very low24.5Very low124 Ų124122.5 Ų122.554%0.54465%0.649SS.*  trans-114.7176.5179.5-91.1-124.1000112.5C39 A40 C41F12-C39 HydrophobicContact CD2-CB 3.67Å; F12-C39 VanDerWaalsContact CE2-C 3.48Å; F12-C39 HydrophobicContact CE2-CB 3.72Å; F12-C39 WeakPolarHBondContact CE2-O 3.44Å; F12-A40 WeakPolarHBondContact CB-O 3.46Å; F12-A40 VanDerWaalsContact CD2-CA 3.41Å; F12-A40 VanDerWaalsContact CD2-O 3.31Å; F12-A40 WeakPolarHBondContact CD2-O 3.3Å; F12-A40 PolarHBondContact N-O 3.13Å; F12-C41 HydrophobicContact CD1-CB 4.14Å; F12-C41 WeakPolarHBondContact CD1-SG 3.18Å; F12-C41 HydrophobicContact CD2-CB 3.88Å; F12-C41 HydrophobicContact CE1-CB 4.22Å; F12-C41 HydrophobicContact CE2-CB 3.94Å; F12-C41 HydrophobicContact CG-CB 3.96Å; F12-C41 HydrophobicContact CZ-CB 4.1Å
13A23.5Very low24.7Very low51 Ų51122 Ų12242%0.42165%0.648SS.*  trans-137.7157.3167.200000112.9F29 F31A13-F29 HydrophobicContact CB-CE2 4.48Å; A13-F29 HydrophobicContact CB-CZ 4.26Å; A13-F31 HydrophobicContact CB-CE1 4.07Å; A13-F31 HydrophobicContact CB-CE2 4.38Å; A13-F31 HydrophobicContact CB-CZ 3.48Å; A13-F31 VanDerWaalsContact CB-CZ 3.48Å
14S23.8Very low24.7Very low75 Ų75113.7 Ų113.752%0.52463%0.625SS.*  trans-154.9163.9174.3570000111.7F29S14-F29 WeakPolarHBondContact O-CZ 3.11Å
15I23.8Very low24.9Very low80 Ų80108.2 Ų108.241%0.4160%0.604SS.*  trans-126.3144.5-170.3-52.4166.3000108.8F17 F29 N145I15-F17 HydrophobicContact CG2-CE2 4.29Å; I15-F17 HydrophobicContact CG2-CZ 4.12Å; I15-F29 HydrophobicContact CG1-CD2 4.29Å; I15-F29 HydrophobicContact CG1-CE2 3.79Å; I15-N145 HydrophobicContact CD1-CB 4.13Å; I15-N145 HydrophobicContact CG1-CB 3.91Å; I15-N145 HydrophobicContact CG2-CB 4.22Å
16Q24.5Very low24.9Very low170 Ų170107 Ų10779%0.79459%0.586SS**  trans-176.8156.4144.3-107.6166.2-4.500116.7D146Q16-D146 PolarHBondContact N-OD2 3.03Å; Q16-D146 VanDerWaalsContact N-OD2 3.13Å
17F25.1Very low24.8Very low113 Ų11398.4 Ų98.450%0.49655%0.548SS..  trans-102.9-167.2-160.8-44.8-90.2000115I15 A27I15-F17 HydrophobicContact CG2-CE2 4.29Å; I15-F17 HydrophobicContact CG2-CZ 4.12Å; F17-A27 HydrophobicContact CE1-CB 4.06Å
18I25.3Very low24.7Very low142 Ų14294.5 Ų94.573%0.72852%0.519SS*.  trans82.3144159.6-52.9130.5000115.1I25I18-I25 VanDerWaalsContact C-CD1 3.4Å
19S23.9Very low24.7Very low76 Ų7694 Ų9453%0.53151%0.507SS..  cis160.1129.2-40.4166.60000108.1
20D25.8Very low24.7Very low122 Ų12288.8 Ų88.865%0.65249%0.492SS*.  trans-157.2154.9148.9-141.63.6000117.8S22D20-S22 PolarHBondContact O-N 3.07Å
21Q27.6Very low24.8Very low179 Ų17991.1 Ų91.184%0.83650%0.495SS*.SBendtrans53.3-21162.2-41.2-154.1700123.6
22S24.9Very low24.8Very low104 Ų10494.3 Ų94.373%0.72750%0.496SS*.SBendtrans-141.6-6.2-176.780.30000120.6D20D20-S22 PolarHBondContact O-N 3.07Å
23N26.4Very low24.9Very low157 Ų15797.5 Ų97.584%0.8451%0.509SS*.  trans155.9160.9154.1-91.9-66.2000111.9
24P24.8Very low24.8Very low67 Ų67102 Ų10244%0.43553%0.525SS..  trans-95.8-175.8-14536.3-40.2000118.7L150P24-L150 HydrophobicContact CB-CD1 3.89Å; P24-L150 HydrophobicContact CG-CD1 3.45Å; P24-L150 VanDerWaalsContact CG-CD1 3.45Å; P24-L150 HydrophobicContact CG-CD2 4.02Å; P24-L150 HydrophobicContact CG-CG 4.32Å; P24-L150 WeakPolarHBondContact O-CD2 3.41Å
25I24.6Very low24.8Very low84 Ų84103.4 Ų103.443%0.43154%0.541SS..  trans-109151.7-168.7-60.9163.1000112.2I18 L150I18-I25 VanDerWaalsContact C-CD1 3.4Å; I25-L150 VanDerWaalsContact O-CD1 3.3Å; I25-L150 WeakPolarHBondContact O-CD1 3.48Å
26L24Very low24.8Very low56 Ų56103 Ų10329%0.29356%0.557SS.*  trans-82.1167.8-171.5-99.781.7000115.7D146 D147 L150 L151L26-D146 CarbonylContact C-O 3.56Å; L26-D146 VanDerWaalsContact CB-O 3.23Å; L26-D146 WeakPolarHBondContact CB-O 3.31Å; L26-D146 CarbonylContact O-C 3.05Å; L26-D146 WeakPolarHBondContact O-CA 3.47Å; L26-D146 VanDerWaalsContact O-O 3.04Å; L26-D147 CarbonylContact C-O 3.55Å; L26-D147 WeakPolarHBondContact CA-O 3.37Å; L26-D147 WeakPolarHBondContact CB-O 3.4Å; L26-D147 VanDerWaalsContact CD2-O 3.26Å; L26-D147 WeakPolarHBondContact CD2-O 3.23Å; L26-D147 WeakPolarHBondContact CG-O 3.26Å; L26-L150 HydrophobicContact CB-CB 4.17Å; L26-L150 HydrophobicContact CD1-CB 3.67Å; L26-L150 HydrophobicContact CD1-CD2 3.73Å; L26-L150 HydrophobicContact CD1-CG 4.34Å; L26-L150 HydrophobicContact CG-CB 3.73Å; L26-L151 HydrophobicContact CD2-CD1 4.33Å; L26-L151 HydrophobicContact CD2-CG 4.03Å
27A24.8Very low24.8Very low8 Ų8102.1 Ų102.17%0.06655%0.552CS.*BIsolated β-bridgetrans-1580173.200000127.8F17 N145 D147 L148 L149F17-A27 HydrophobicContact CE1-CB 4.06Å; A27-N145 CarbonylContact C-O 3.42Å; A27-N145 VanDerWaalsContact C-O 3.3Å; A27-N145 WeakPolarHBondContact CA-O 3.41Å; A27-N145 WeakPolarHBondContact CB-O 3.28Å; A27-D147 VanDerWaalsContact C-N 3.32Å; A27-D147 PolarHBondContact N-O 2.97Å; A27-L148 VanDerWaalsContact C-CB 3.41Å; A27-L148 VanDerWaalsContact CA-N 3.33Å; A27-L148 CarbonylContact O-C 3.35Å; A27-L148 VanDerWaalsContact O-CA 3.29Å; A27-L148 WeakPolarHBondContact O-CA 2.99Å; A27-L148 WeakPolarHBondContact O-CB 3.47Å; A27-L148 PolarHBondContact O-N 2.95Å; A27-L149 VanDerWaalsContact C-N 3.34Å; A27-L149 VanDerWaalsContact CA-N 3.26Å; A27-L149 HydrophobicContact CB-CB 3.29Å; A27-L149 HydrophobicContact CB-CD1 4.32Å; A27-L149 HydrophobicContact CB-CG 4.45Å; A27-L149 PolarHBondContact O-N 2.82Å
28L23.2Very low24.8Very low22 Ų2299.4 Ų99.412%0.11555%0.548CS..  096.50-163.5164.3000117H30 M143 C144 N145 D147 L148L28-H30 HydrophobicContact CD2-CB 3.7Å; L28-H30 WeakPolarHBondContact CD2-ND1 3.21Å; L28-M143 HydrophobicContact CB-CB 4.32Å; L28-M143 HydrophobicContact CD1-CE 3.75Å; L28-M143 HydrophobicContact CD1-SD 4.13Å; L28-M143 HydrophobicContact CD2-CB 4.04Å; L28-M143 HydrophobicContact CD2-CE 4.24Å; L28-M143 CarbonylContact O-C 3.39Å; L28-M143 VanDerWaalsContact O-CB 3.31Å; L28-M143 WeakPolarHBondContact O-CB 3.48Å; L28-M143 VanDerWaalsContact O-O 3.1Å; L28-C144 CarbonylContact C-O 3.45Å; L28-C144 VanDerWaalsContact CA-O 3.25Å; L28-C144 WeakPolarHBondContact CA-O 3.25Å; L28-C144 PolarHBondContact N-O 3.04Å; L28-C144 CarbonylContact O-C 3.57Å; L28-C144 WeakPolarHBondContact O-CA 3.3Å; L28-C144 PolarHBondContact O-N 3.19Å; L28-C144 VanDerWaalsContact O-N 3.13Å; L28-N145 VanDerWaalsContact C-CA 3.48Å; L28-N145 VanDerWaalsContact C-N 3.34Å; L28-N145 VanDerWaalsContact N-CA 3.29Å; L28-D147 HydrophobicContact CB-CB 3.56Å; L28-D147 VanDerWaalsContact N-C 3.3Å; L28-D147 VanDerWaalsContact N-CA 3.29Å; L28-L148 VanDerWaalsContact CA-N 3.33Å; L28-L148 HydrophobicContact CB-CB 3.34Å; L28-L148 HydrophobicContact CB-CD1 4.41Å; L28-L148 HydrophobicContact CB-CG 3.98Å; L28-L148 HydrophobicContact CD1-CB 4.14Å; L28-L148 HydrophobicContact CD1-CD1 4.27Å; L28-L148 HydrophobicContact CD1-CG 3.83Å; L28-L148 HydrophobicContact CG-CB 3.87Å; L28-L148 HydrophobicContact CG-CD1 4.04Å; L28-L148 HydrophobicContact CG-CG 3.92Å
29F25.1Very low24.7Very low24 Ų2497.1 Ų97.111%0.10554%0.543CS..  trans-90.6133.1157.6-81.5-55000107.1A13 S14 I15 F31 C144 N145A13-F29 HydrophobicContact CB-CE2 4.48Å; A13-F29 HydrophobicContact CB-CZ 4.26Å; S14-F29 WeakPolarHBondContact O-CZ 3.11Å; I15-F29 HydrophobicContact CG1-CD2 4.29Å; I15-F29 HydrophobicContact CG1-CE2 3.79Å; F29-F31 HydrophobicContact CB-CD2 3.88Å; F29-F31 HydrophobicContact CB-CE2 3.42Å; F29-F31 VanDerWaalsContact CB-CE2 3.42Å; F29-F31 HydrophobicContact CB-CZ 3.98Å; F29-F31 AromaticContact CD1-CE1 3.9Å; F29-F31 HydrophobicContact CD1-CE1 3.9Å; F29-F31 AromaticContact CD1-CE2 3.63Å; F29-F31 HydrophobicContact CD1-CE2 3.63Å; F29-F31 AromaticContact CD1-CZ 3.21Å; F29-F31 HydrophobicContact CD1-CZ 3.21Å; F29-F31 AromaticContact CD2-CE2 3.64Å; F29-F31 HydrophobicContact CD2-CE2 3.64Å; F29-F31 AromaticContact CD2-CZ 3.8Å; F29-F31 HydrophobicContact CD2-CZ 3.8Å; F29-F31 HydrophobicContact CE1-CE1 4.27Å; F29-F31 HydrophobicContact CE1-CE2 4.37Å; F29-F31 AromaticContact CE1-CZ 3.62Å; F29-F31 HydrophobicContact CE1-CZ 3.62Å; F29-F31 HydrophobicContact CE2-CE2 4.42Å; F29-F31 HydrophobicContact CE2-CZ 4.19Å; F29-F31 HydrophobicContact CG-CD2 4.23Å; F29-F31 HydrophobicContact CG-CE1 4.42Å; F29-F31 AromaticContact CG-CE2 3.3Å; F29-F31 HydrophobicContact CG-CE2 3.3Å; F29-F31 AromaticContact CG-CZ 3.41Å; F29-F31 HydrophobicContact CG-CZ 3.41Å; F29-F31 VanDerWaalsContact CG-CZ 3.41Å; F29-F31 HydrophobicContact CZ-CZ 4.15Å; F29-C144 HydrophobicContact CD1-CB 4.08Å; F29-C144 HydrophobicContact CE1-CB 3.53Å; F29-C144 VanDerWaalsContact CE1-SG 3.56Å; F29-C144 HydrophobicContact CZ-CB 3.91Å; F29-C144 VanDerWaalsContact N-C 3.32Å; F29-N145 HydrophobicContact CB-CB 4.08Å; F29-N145 HydrophobicContact CD2-CB 3.22Å; F29-N145 HydrophobicContact CE2-CB 3.71Å; F29-N145 HydrophobicContact CG-CB 3.82Å; F29-N145 VanDerWaalsContact N-CG 3.29Å; F29-N145 VanDerWaalsContact N-N 3.13Å; F29-N145 PolarHBondContact N-OD1 3.18Å
30H25.1Very low24.8Very low102 Ų10295.8 Ų95.847%0.47254%0.536SS..  trans-134.577.8161.4-85.9122.6000110.5L28 L163L28-H30 HydrophobicContact CD2-CB 3.7Å; L28-H30 WeakPolarHBondContact CD2-ND1 3.21Å; H30-L163 HydrophobicContact CB-CD1 3.7Å
31F25.7Very low24.7Very low111 Ų11194.2 Ų94.249%0.48753%0.534SS..  trans-63141.6169.8-54-78.6000111.3A13 F29A13-F31 HydrophobicContact CB-CE1 4.07Å; A13-F31 HydrophobicContact CB-CE2 4.38Å; A13-F31 HydrophobicContact CB-CZ 3.48Å; A13-F31 VanDerWaalsContact CB-CZ 3.48Å; F29-F31 HydrophobicContact CB-CD2 3.88Å; F29-F31 HydrophobicContact CB-CE2 3.42Å; F29-F31 VanDerWaalsContact CB-CE2 3.42Å; F29-F31 HydrophobicContact CB-CZ 3.98Å; F29-F31 AromaticContact CD1-CE1 3.9Å; F29-F31 HydrophobicContact CD1-CE1 3.9Å; F29-F31 AromaticContact CD1-CE2 3.63Å; F29-F31 HydrophobicContact CD1-CE2 3.63Å; F29-F31 AromaticContact CD1-CZ 3.21Å; F29-F31 HydrophobicContact CD1-CZ 3.21Å; F29-F31 AromaticContact CD2-CE2 3.64Å; F29-F31 HydrophobicContact CD2-CE2 3.64Å; F29-F31 AromaticContact CD2-CZ 3.8Å; F29-F31 HydrophobicContact CD2-CZ 3.8Å; F29-F31 HydrophobicContact CE1-CE1 4.27Å; F29-F31 HydrophobicContact CE1-CE2 4.37Å; F29-F31 AromaticContact CE1-CZ 3.62Å; F29-F31 HydrophobicContact CE1-CZ 3.62Å; F29-F31 HydrophobicContact CE2-CE2 4.42Å; F29-F31 HydrophobicContact CE2-CZ 4.19Å; F29-F31 HydrophobicContact CG-CD2 4.23Å; F29-F31 HydrophobicContact CG-CE1 4.42Å; F29-F31 AromaticContact CG-CE2 3.3Å; F29-F31 HydrophobicContact CG-CE2 3.3Å; F29-F31 AromaticContact CG-CZ 3.41Å; F29-F31 HydrophobicContact CG-CZ 3.41Å; F29-F31 VanDerWaalsContact CG-CZ 3.41Å; F29-F31 HydrophobicContact CZ-CZ 4.15Å
32F25.2Very low24.5Very low113 Ų11390.8 Ų90.850%0.49652%0.521SS..  trans-127.5140.9161.6-82.5-83.7000113.2L163 K165F32-L163 HydrophobicContact CD2-CB 4.05Å; F32-L163 HydrophobicContact CE2-CB 3.74Å; F32-L163 WeakPolarHBondContact CE2-O 2.99Å; F32-K165 HydrophobicContact CB-CB 4.19Å; F32-K165 HydrophobicContact CB-CD 4.16Å; F32-K165 WeakPolarHBondContact O-CD 3.48Å; F32-K165 WeakPolarHBondContact O-CE 3.49Å; F32-K165 PolarHBondContact O-NZ 3.26Å
33K25Very low24.4Very low192 Ų19295.3 Ų95.384%0.83552%0.523SS*.  trans-72.2156.1-169.2-175.5178-180179.30113.2K165K33-K165 VanDerWaalsContact O-CD 3.27Å; K33-K165 WeakPolarHBondContact O-CD 3.35Å; K33-K165 PolarHBondContact O-NZ 2.8Å
34I22.8Very low24.2Very low146 Ų14694.2 Ų94.275%0.74952%0.518SS*.  trans173.5152.5143.4-91.4156.7000108.4
35A22.5Very low24.2Very low104 Ų10497.5 Ų97.586%0.8653%0.527SS*.  trans-53.7146.8-166.100000116.3
36G24.8Very low24.2Very low72 Ų7299.8 Ų99.874%0.74254%0.54SS*.  trans146.493178.500000111S38G36-S38 PolarHBondContact O-N 3.44Å
37E23.9Very low24.5Very low151 Ų151102.4 Ų102.471%0.70656%0.563SS**  trans-43.1124.9173.9-68.4170.4-17600111.8G8 R9G8-E37 CarbonylContact C-O 3.55Å; G8-E37 WeakPolarHBondContact CA-O 3.42Å; R9-E37 PolarHBondContact N-O 2.99Å; R9-E37 CarbonylContact O-C 3.3Å; R9-E37 VanDerWaalsContact O-O 3.04Å
38S25.8Very low24.6Very low56 Ų56106.1 Ų106.139%0.39260%0.602SS.*  cis-162.9-162.534.9-67.40000114.2R9 C10 G11 G36R9-S38 PolarHBondContact O-N 3.22Å; C10-S38 VanDerWaalsContact CA-C 3.42Å; C10-S38 VanDerWaalsContact CA-O 3.24Å; C10-S38 WeakPolarHBondContact CA-O 3.33Å; C10-S38 VanDerWaalsContact CB-CB 3.43Å; C10-S38 VanDerWaalsContact SG-CB 3.59Å; G11-S38 PolarHBondContact N-O 2.71Å; G11-S38 VanDerWaalsContact N-O 3.12Å; G36-S38 PolarHBondContact O-N 3.44Å
39C22.9Very low24.8Very low93 Ų93111.3 Ų111.363%0.62864%0.635SS**  trans-119.5129.2167.8-53.50000115.5C10 G11 F12C10-C39 VanDerWaalsContact CB-O 3.28Å; C10-C39 WeakPolarHBondContact CB-O 3.34Å; G11-C39 VanDerWaalsContact N-CA 3.31Å; G11-C39 WeakPolarHBondContact O-CA 3.42Å; G11-C39 WeakPolarHBondContact O-CB 3.29Å; F12-C39 HydrophobicContact CD2-CB 3.67Å; F12-C39 VanDerWaalsContact CE2-C 3.48Å; F12-C39 HydrophobicContact CE2-CB 3.72Å; F12-C39 WeakPolarHBondContact CE2-O 3.44Å
40A26.7Very low24.9Very low48 Ų48116.2 Ų116.240%0.39766%0.656SS.*  trans-142.4159.2169.600000113.4C10 G11 F12C10-A40 HydrophobicContact CB-CB 3.46Å; C10-A40 VanDerWaalsContact CB-CB 3.46Å; C10-A40 PolarHBondContact O-N 3.35Å; G11-A40 CarbonylContact C-O 3.47Å; G11-A40 VanDerWaalsContact C-O 3.28Å; G11-A40 VanDerWaalsContact CA-O 3.29Å; G11-A40 WeakPolarHBondContact CA-O 3.38Å; F12-A40 WeakPolarHBondContact CB-O 3.46Å; F12-A40 VanDerWaalsContact CD2-CA 3.41Å; F12-A40 VanDerWaalsContact CD2-O 3.31Å; F12-A40 WeakPolarHBondContact CD2-O 3.3Å; F12-A40 PolarHBondContact N-O 3.13Å
41C23.2Very low25Very low90 Ų90115 Ų11561%0.60867%0.671SS**  trans-118.8163-138.3-156.90000115.9F12F12-C41 HydrophobicContact CD1-CB 4.14Å; F12-C41 WeakPolarHBondContact CD1-SG 3.18Å; F12-C41 HydrophobicContact CD2-CB 3.88Å; F12-C41 HydrophobicContact CE1-CB 4.22Å; F12-C41 HydrophobicContact CE2-CB 3.94Å; F12-C41 HydrophobicContact CG-CB 3.96Å; F12-C41 HydrophobicContact CZ-CB 4.1Å
42L22.8Very low25Very low107 Ų107117.3 Ų117.356%0.5668%0.682SS**  trans-69.1156.6170.3-7894.2000112.1
43Y23Very low25.1Very low198 Ų198118.1 Ų118.178%0.77670%0.696SS**  trans-142.2117.3154.3-145-88.5000111.3K50Y43-K50 PolarHBondContact O-NZ 3.42Å
44N23.3Very low25.3Very low135 Ų135117.5 Ų117.572%0.72269%0.693SS**  trans-83.3134.3175.6-174.49.8000110.3
45H23.8Very low25.6Very low135 Ų135113.6 Ų113.663%0.62569%0.689SS**  trans-164147.4145.3-123.3-87.9000108.7
46N25.4Very low25.8Very low133 Ų133116.4 Ų116.471%0.71169%0.69SS**SBendtrans-20.3150.1-177.3-55.2-11.4000118.9
47S28.7Very low26.1Very low110 Ų110118.3 Ų118.377%0.76968%0.683SS**SBendtrans72.480.717763.40000117.7T49S47-T49 PolarHBondContact O-N 2.86Å
48G27.1Very low26.2Very low86 Ų86115.6 Ų115.689%0.88768%0.679SS**SBend82.4-26.8115.400000120.2
49T28.8Very low26.3Very low132 Ų132119.2 Ų119.281%0.8169%0.693SS**  trans-152.4118.3-175.85.90000113.2S47S47-T49 PolarHBondContact O-N 2.86Å
50K25.4Very low26.5Very low126 Ų126120 Ų12055%0.54869%0.69SS.*  trans-142106.7166.6-62.5-168.2-173.7-168.60109.9Y43Y43-K50 PolarHBondContact O-NZ 3.42Å
51G27.5Very low26.6Very low77 Ų77122.1 Ų122.179%0.79469%0.694SS**  trans-82.8154.5171.200000111.7
52F27.2Very low26.8Very low160 Ų160124.2 Ų124.270%0.70269%0.693SS**  trans-124131.2179.1-62.1-89.1000110.2F54F52-F54 HydrophobicContact CB-CE2 4.2Å
53T27.4Very low27.1Very low129 Ų129127.1 Ų127.179%0.79170%0.702SS**  trans-103.5110.4178.638.40000111.6G55T53-G55 PolarHBondContact O-N 3.43Å
54F27.6Very low27.2Very low179 Ų179122.3 Ų122.379%0.78570%0.697SS**  trans-93.881.9175.5-78.9-88.4000111.1F52F52-F54 HydrophobicContact CB-CE2 4.2Å
55G30.6Very low27.3Very low64 Ų64121.7 Ų121.766%0.6670%0.703SS**THydrogen-bonded Turntrans66.3-144.4-179.500000112.5T53 N57T53-G55 PolarHBondContact O-N 3.43Å; G55-N57 PolarHBondContact O-N 2.92Å
56N26.7Very low27.4Very low163 Ų163121.8 Ų121.887%0.87271%0.708SS**THydrogen-bonded Turntrans-82.5-7-170.9-68.610.3000114.5
57N29.7Very low27.3Very low113 Ų113121.5 Ų121.560%0.60471%0.711SS**  trans-116.2106.1-174.3-68.1-3.5000110.6G55 L59G55-N57 PolarHBondContact O-N 2.92Å; N57-L59 PolarHBondContact O-N 3.24Å
58P26.9Very low27.1Very low94 Ų94120.5 Ų120.561%0.6170%0.704SS**  trans-79.898.4-179.331.3-33.6000111.7L60P58-L60 PolarHBondContact O-N 3.49Å
59L28.4Very low27Very low132 Ų132122.2 Ų122.269%0.69170%0.702SS**  trans-89.8100.8172.4-155.4158.2000109.6N57 L61N57-L59 PolarHBondContact O-N 3.24Å; L59-L61 HydrophobicContact CD2-CD1 4.24Å; L59-L61 HydrophobicContact CD2-CD2 4.23Å; L59-L61 HydrophobicContact CD2-CG 3.81Å; L59-L61 PolarHBondContact O-N 3.4Å
60L27Very low27Very low110 Ų110122.1 Ų122.158%0.57669%0.692SS**  trans-85.999.4-175-78.9165000111.9P58 F62P58-L60 PolarHBondContact O-N 3.49Å; L60-F62 HydrophobicContact CB-CD2 4.49Å; L60-F62 HydrophobicContact CB-CE2 3.98Å
61L28.2Very low27.2Very low92 Ų92123.9 Ų123.948%0.48270%0.7SS.*  trans-94.7116.8169.2-70.9169.6000110.7L59 F63L59-L61 HydrophobicContact CD2-CD1 4.24Å; L59-L61 HydrophobicContact CD2-CD2 4.23Å; L59-L61 HydrophobicContact CD2-CG 3.81Å; L59-L61 PolarHBondContact O-N 3.4Å; L61-F63 HydrophobicContact CB-CD2 4.39Å; L61-F63 HydrophobicContact CB-CE2 3.8Å; L61-F63 HydrophobicContact CB-CZ 4.48Å; L61-F63 HydrophobicContact CD1-CE2 4.39Å
62F28.3Very low27.3Very low134 Ų134128.9 Ų128.959%0.58870%0.695SS**  trans-98.5116.7174.9-70.8-94.3000110.4L60 I76L60-F62 HydrophobicContact CB-CD2 4.49Å; L60-F62 HydrophobicContact CB-CE2 3.98Å; F62-I76 HydrophobicContact CD2-CD1 3.74Å; F62-I76 HydrophobicContact CE2-CD1 4.11Å
63F28.1Very low27.5Very low167 Ų167126.7 Ų126.773%0.73269%0.685SS**  trans-111.796.8171.5-66-79.8000109.8L61 S65L61-F63 HydrophobicContact CB-CD2 4.39Å; L61-F63 HydrophobicContact CB-CE2 3.8Å; L61-F63 HydrophobicContact CB-CZ 4.48Å; L61-F63 HydrophobicContact CD1-CE2 4.39Å; F63-S65 PolarHBondContact O-N 3.5Å
64S26.2Very low27.6Very low98 Ų98123.4 Ų123.469%0.68567%0.665SS**  trans-84.4108.717158.50000109.9L66S64-L66 PolarHBondContact O-N 2.93Å
65S24.6Very low27.8Very low121 Ų121118.5 Ų118.585%0.84665%0.647SS**  trans-61.7126.1167.1-178.50000110.1F63F63-S65 PolarHBondContact O-N 3.5Å
66L25.8Very low27.9Very low137 Ų137117 Ų11772%0.71762%0.624SS**  trans-134.9122171-110.5165.2000109.1S64S64-L66 PolarHBondContact O-N 2.93Å
67V23.1Very low28.1Very low128 Ų128111.5 Ų111.578%0.77660%0.595SS**  trans-67.4151.8175.7177.50000109.4
68S25.4Very low28.1Very low89 Ų89109.9 Ų109.962%0.62259%0.587SS**SBendtrans79.9110.4-176.975.80000116.4Q70S68-Q70 PolarHBondContact O-N 3.08Å
69S24.7Very low28.1Very low121 Ų121109 Ų10985%0.84658%0.577SS**SBendtrans47-0.1145.454.30000122.3
70Q28.6Very low28Very low131 Ų131109.4 Ų109.461%0.61258%0.578SS**  trans-139.392.1-177.6-65.3-172.92.800111.2S68 R72S68-Q70 PolarHBondContact O-N 3.08Å; Q70-R72 PolarHBondContact O-N 3.44Å
71F29.4Very low27.9Very low163 Ų163109.7 Ų109.772%0.71557%0.572SS**  trans-63.1132.2166.9-71.8-85.4000109.9F73 P95F71-F73 HydrophobicContact CB-CE2 3.94Å; F71-F73 HydrophobicContact CB-CZ 4.47Å; F71-P95 VanDerWaalsContact O-CD 3.29Å; F71-P95 WeakPolarHBondContact O-CD 3.26Å; F71-P95 WeakPolarHBondContact O-CG 3.43Å
72R28.9Very low27.8Very low182 Ų182110.3 Ų110.369%0.68758%0.584SS**  trans-120.3123.7171.5-66.3-174.2-179.1-166.5-0.5108.8Q70Q70-R72 PolarHBondContact O-N 3.44Å
73F31.2Very low27.6Very low113 Ų113110 Ų11050%0.49660%0.598SS.*EExtended strand (participates in β ladder)trans-106.4110.9175.5-66.6-81.5000109.2F71 I93 P95F71-F73 HydrophobicContact CB-CE2 3.94Å; F71-F73 HydrophobicContact CB-CZ 4.47Å; F73-I93 PolarHBondContact O-N 3.35Å; F73-I93 VanDerWaalsContact O-N 3.13Å; F73-P95 HydrophobicContact CD2-CG 4.46Å
74T31.2Very low27.5Very low60 Ų60106.4 Ų106.437%0.36859%0.59SS.*EExtended strand (participates in β ladder)trans-95.9109.1172.5-53.80000108.3I76 I90T74-I76 HydrophobicContact CG2-CG1 4.29Å; T74-I90 HydrophobicContact CG2-CG2 4.27Å
75L31.9Very low27.4Very low76 Ų76109.9 Ų109.940%0.39860%0.601SS.*EExtended strand (participates in β ladder)trans-100.1100.9177.8-173.671.9000109.1V77 I91 I93L75-V77 HydrophobicContact CD2-CG2 3.7Å; L75-V77 HydrophobicContact CG-CG2 3.65Å; L75-V77 PolarHBondContact O-N 2.81Å; L75-I91 CarbonylContact C-O 2.81Å; L75-I91 WeakPolarHBondContact CA-O 3.22Å; L75-I91 HydrophobicContact CB-CB 4.41Å; L75-I91 PolarHBondContact N-O 2.91Å; L75-I91 CarbonylContact O-C 3.58Å; L75-I91 WeakPolarHBondContact O-CA 3.34Å; L75-I91 WeakPolarHBondContact O-CB 3.29Å; L75-I91 PolarHBondContact O-N 2.83Å; L75-I91 VanDerWaalsContact O-O 3.05Å; L75-I93 HydrophobicContact CD2-CD1 4.33Å
76I31.2Very low27.6Very low34 Ų34108.1 Ų108.117%0.17459%0.585CS.*EExtended strand (participates in β ladder)trans-81115.7171.8-56-175000107.7F62 T74 N78F62-I76 HydrophobicContact CD2-CD1 3.74Å; F62-I76 HydrophobicContact CE2-CD1 4.11Å; T74-I76 HydrophobicContact CG2-CG1 4.29Å; I76-N78 WeakPolarHBondContact CG2-OD1 3.41Å
77V31.3Very low27.8Very low46 Ų46108.3 Ų108.328%0.27959%0.587SS.*EExtended strand (participates in β ladder)trans-114.797.4179.6-173.20000108.8L75 I79 I89 I91L75-V77 HydrophobicContact CD2-CG2 3.7Å; L75-V77 HydrophobicContact CG-CG2 3.65Å; L75-V77 PolarHBondContact O-N 2.81Å; V77-I79 HydrophobicContact CG1-CG1 3.86Å; V77-I79 PolarHBondContact O-N 2.76Å; V77-I89 PolarHBondContact N-O 3.39Å; V77-I89 VanDerWaalsContact N-O 3.08Å; V77-I91 HydrophobicContact CB-CD1 4.01Å; V77-I91 HydrophobicContact CB-CG1 4.34Å; V77-I91 HydrophobicContact CG2-CD1 3.62Å; V77-I91 HydrophobicContact CG2-CG1 4.01Å
78N29.9Very low28.2Very low80 Ų80107.2 Ų107.243%0.42858%0.576SS.*  trans-76.392.2172-77.627.1000109.4I76 I80 N88I76-N78 WeakPolarHBondContact CG2-OD1 3.41Å; N78-I80 PolarHBondContact O-N 3.25Å; N78-I80 VanDerWaalsContact O-N 3.11Å; N78-N88 PolarHBondContact ND2-OD1 2.77Å; N78-N88 PolarHBondContact OD1-OD1 2.79Å
79I27.9Very low28.5Very low76 Ų76105.4 Ų105.439%0.3956%0.559SS.*  trans-73.996.2171.4-58.8-177.2000108V77 Y81 I89V77-I79 HydrophobicContact CG1-CG1 3.86Å; V77-I79 PolarHBondContact O-N 2.76Å; I79-Y81 HydrophobicContact CB-CE2 4.36Å; I79-Y81 HydrophobicContact CG2-CD2 3.87Å; I79-Y81 HydrophobicContact CG2-CE2 3.53Å; I79-Y81 PolarHBondContact O-N 3.32Å; I79-I89 HydrophobicContact CB-CD1 4.37Å; I79-I89 HydrophobicContact CD1-CD1 3.91Å; I79-I89 HydrophobicContact CG1-CD1 4.3Å
80I26.4Very low28.8Very low140 Ų140104 Ų10472%0.71854%0.541SS*.  trans-78.1100.6173.7-57.2175.9000107.9N78N78-I80 PolarHBondContact O-N 3.25Å; N78-I80 VanDerWaalsContact O-N 3.11Å
81Y24.8Very low28.9Very low116 Ų11699.7 Ų99.746%0.45552%0.522SS..  trans-70133.3168.6-78.7-87.8000110.1I79 S83 V86I79-Y81 HydrophobicContact CB-CE2 4.36Å; I79-Y81 HydrophobicContact CG2-CD2 3.87Å; I79-Y81 HydrophobicContact CG2-CE2 3.53Å; I79-Y81 PolarHBondContact O-N 3.32Å; Y81-S83 PolarHBondContact O-N 2.9Å; Y81-V86 HydrophobicContact CD2-CB 4.38Å; Y81-V86 HydrophobicContact CD2-CG2 4.28Å
82S24.3Very low29Very low105 Ų10595.8 Ų95.873%0.73451%0.511SS*.THydrogen-bonded Turntrans-67.1121.9163.342.30000109.1
83S25.1Very low29.1Very low127 Ų12790.4 Ų90.489%0.88850%0.496SS*.THydrogen-bonded Turntrans92.2-9.9175.478.50000120.3Y81Y81-S83 PolarHBondContact O-N 2.9Å
84V25.2Very low28.9Very low91 Ų9188.9 Ų88.955%0.55250%0.498SS*.SBendtrans-142.9129.2173.3-171.40000111V86V84-V86 HydrophobicContact CB-CG2 4.35Å; V84-V86 HydrophobicContact CG1-CG2 4.03Å; V84-V86 PolarHBondContact O-N 2.81Å
85D25.8Very low28.7Very low171 Ų17190 Ų9091%0.91451%0.507SS*.  trans-68.7118.9166.6-72.8-55.8000109.4
86V28.6Very low28.4Very low84 Ų8489.9 Ų89.951%0.50951%0.512SS..  trans-127.1137.7176.6-177.60000108.6Y81 V84Y81-V86 HydrophobicContact CD2-CB 4.38Å; Y81-V86 HydrophobicContact CD2-CG2 4.28Å; V84-V86 HydrophobicContact CB-CG2 4.35Å; V84-V86 HydrophobicContact CG1-CG2 4.03Å; V84-V86 PolarHBondContact O-N 2.81Å
87D29.5Very low28.2Very low142 Ų14295.2 Ų95.276%0.75954%0.54SS*.  trans-60.3152.9-169.2-72.1-73.2000115.3I89D87-I89 PolarHBondContact O-N 3.38Å
88N31.6Very low28Very low105 Ų105101.4 Ų101.456%0.56157%0.57SS**  trans-54.3119.2-175.2-52.1-93.4000112.6N78N78-N88 PolarHBondContact ND2-OD1 2.77Å; N78-N88 PolarHBondContact OD1-OD1 2.79Å
89I30.4Very low27.8Very low51 Ų51104.3 Ų104.326%0.26259%0.586SS.*EExtended strand (participates in β ladder)trans-87.7114.6179.9-63.7168.7000110V77 I79 D87 I91 L104V77-I89 PolarHBondContact N-O 3.39Å; V77-I89 VanDerWaalsContact N-O 3.08Å; I79-I89 HydrophobicContact CB-CD1 4.37Å; I79-I89 HydrophobicContact CD1-CD1 3.91Å; I79-I89 HydrophobicContact CG1-CD1 4.3Å; D87-I89 PolarHBondContact O-N 3.38Å; I89-I91 HydrophobicContact CG2-CG1 4.03Å; I89-L104 HydrophobicContact CG2-CD2 3.86Å
90I30.9Very low27.7Very low91 Ų91103 Ų10347%0.46759%0.591SS.*EExtended strand (participates in β ladder)trans-93.1109.7177.6-57.3176.3000109.1T74T74-I90 HydrophobicContact CG2-CG2 4.27Å
91I31.9Very low27.8Very low40 Ų40103.4 Ų103.421%0.20559%0.593CS.*EExtended strand (participates in β ladder)trans-98.3103.5175.7-46.3-169.1000108.8L75 V77 I89 I93 L104L75-I91 CarbonylContact C-O 2.81Å; L75-I91 WeakPolarHBondContact CA-O 3.22Å; L75-I91 HydrophobicContact CB-CB 4.41Å; L75-I91 PolarHBondContact N-O 2.91Å; L75-I91 CarbonylContact O-C 3.58Å; L75-I91 WeakPolarHBondContact O-CA 3.34Å; L75-I91 WeakPolarHBondContact O-CB 3.29Å; L75-I91 PolarHBondContact O-N 2.83Å; L75-I91 VanDerWaalsContact O-O 3.05Å; V77-I91 HydrophobicContact CB-CD1 4.01Å; V77-I91 HydrophobicContact CB-CG1 4.34Å; V77-I91 HydrophobicContact CG2-CD1 3.62Å; V77-I91 HydrophobicContact CG2-CG1 4.01Å; I89-I91 HydrophobicContact CG2-CG1 4.03Å; I91-I93 HydrophobicContact CG2-CD1 4.45Å; I91-I93 HydrophobicContact CG2-CG1 4.1Å; I91-L104 HydrophobicContact CG1-CD2 4.27Å
92T31.3Very low28Very low81 Ų81100.3 Ų100.350%0.49758%0.582SS.*EExtended strand (participates in β ladder)trans-87.9121.6174.4-56.30000109.4
93I30.9Very low28.2Very low69 Ų69101 Ų10135%0.35458%0.582SS.*EExtended strand (participates in β ladder)trans-113.3105.9177.9-55179.5000108.5F73 L75 I91 P95F73-I93 PolarHBondContact O-N 3.35Å; F73-I93 VanDerWaalsContact O-N 3.13Å; L75-I93 HydrophobicContact CD2-CD1 4.33Å; I91-I93 HydrophobicContact CG2-CD1 4.45Å; I91-I93 HydrophobicContact CG2-CG1 4.1Å; I93-P95 WeakPolarHBondContact O-CD 2.85Å
94C27.4Very low28.4Very low81 Ų8196.8 Ų96.855%0.54755%0.549SS..  trans-85.3116.9174.3-68.10000109.6S96C94-S96 PolarHBondContact O-N 2.87Å
95P27.3Very low28.5Very low84 Ų8499.2 Ų99.255%0.54556%0.559SS.*  trans-79.851.8179.234.8-36.5000111.6F71 F73 I93F71-P95 VanDerWaalsContact O-CD 3.29Å; F71-P95 WeakPolarHBondContact O-CD 3.26Å; F71-P95 WeakPolarHBondContact O-CG 3.43Å; F73-P95 HydrophobicContact CD2-CG 4.46Å; I93-P95 WeakPolarHBondContact O-CD 2.85Å
96S25.4Very low28.6Very low74 Ų7494.6 Ų94.652%0.51754%0.54SS..  trans-134.1126.6-176.957.60000110.1C94C94-S96 PolarHBondContact O-N 2.87Å
97I26.4Very low28.5Very low146 Ų14699.4 Ų99.475%0.74956%0.557SS**SBendtrans79.7135.7-173.3-47.6167.5000112.2D99I97-D99 PolarHBondContact O-N 3Å
98L26.6Very low28.4Very low176 Ų17699.5 Ų99.592%0.92155%0.553SS**SBendtrans-73.4-14-178.4-93.379.1000113.8
99D25.8Very low28.1Very low141 Ų141103.3 Ų103.375%0.75457%0.567SS**SBendtrans-119.793.5177.7-64.5-75.2000108.4I97I97-D99 PolarHBondContact O-N 3Å
100G27.2Very low27.9Very low49 Ų49106 Ų10651%0.50559%0.59SS.*  trans-88.1111.2-169.800000113.9F102G100-F102 WeakPolarHBondContact O-CD2 3.04Å; G100-F102 WeakPolarHBondContact O-CE2 3.25Å
101I27.4Very low27.8Very low148 Ų148103.1 Ų103.176%0.75958%0.576SS**  trans-75.9120.8165.9-60.5174.3000108.7
102F29.9Very low27.6Very low51 Ų51104.3 Ų104.322%0.22459%0.588CS.*EExtended strand (participates in β ladder)trans-90127.4173.1-60.7-97.1000110.4G100 I113 A116G100-F102 WeakPolarHBondContact O-CD2 3.04Å; G100-F102 WeakPolarHBondContact O-CE2 3.25Å; F102-I113 HydrophobicContact CB-CB 3.99Å; F102-I113 HydrophobicContact CB-CD1 3.96Å; F102-I113 HydrophobicContact CB-CG1 4.07Å; F102-I113 HydrophobicContact CD1-CD1 4.41Å; F102-I113 HydrophobicContact CD2-CB 3.87Å; F102-I113 HydrophobicContact CD2-CD1 4.32Å; F102-I113 HydrophobicContact CD2-CG2 4.22Å; F102-I113 HydrophobicContact CG-CB 4.18Å; F102-I113 HydrophobicContact CG-CD1 3.99Å; F102-I113 HydrophobicContact CG-CG1 4.45Å; F102-A116 HydrophobicContact CE2-CB 4.13Å
103T27.9Very low27.5Very low119 Ų119101.2 Ų101.273%0.7357%0.568SS**EExtended strand (participates in β ladder)trans-118.7109170.937.30000110.3
104L28.7Very low27.2Very low38 Ų38103.7 Ų103.720%0.19959%0.59CS.*  trans-83.7129.5170.2-80.8155.4000110.1I89 I91 L111I89-L104 HydrophobicContact CG2-CD2 3.86Å; I91-L104 HydrophobicContact CG1-CD2 4.27Å; L104-L111 HydrophobicContact CB-CB 4.23Å; L104-L111 HydrophobicContact CD1-CB 3.89Å; L104-L111 HydrophobicContact CD1-CD2 3.72Å; L104-L111 HydrophobicContact CD1-CG 4.35Å
105N27.3Very low27.3Very low143 Ų143105.2 Ų105.277%0.76559%0.589SS**  trans-122.387.4176.7179.36.3000109.1
106S28.2Very low27.4Very low73 Ų73103 Ų10351%0.5158%0.578SS.*SBendtrans-94.6172.7147.5930000108H108S106-H108 PolarHBondContact O-N 3.46Å; S106-H108 VanDerWaalsContact O-N 3.07Å; S106-H108 PolarHBondContact OG-N 3.49Å; S106-H108 PolarHBondContact OG-O 3.1Å
107Q26.9Very low27.5Very low186 Ų186103.9 Ų103.987%0.86957%0.574SS**SBendtrans-70.72.5174.3-66.7-175.6-28.300113.7
108H26.6Very low27.8Very low144 Ų144102.5 Ų102.567%0.66756%0.564SS**SBendtrans-133.4122.3178.3-58.5-68.8000111.3S106S106-H108 PolarHBondContact O-N 3.46Å; S106-H108 VanDerWaalsContact O-N 3.07Å; S106-H108 PolarHBondContact OG-N 3.49Å; S106-H108 PolarHBondContact OG-O 3.1Å
109E26.4Very low28Very low185 Ų18599.3 Ų99.386%0.86455%0.546SS*.  trans56.6116.7167.3-55.7-170.1157.100117.9L111E109-L111 PolarHBondContact O-N 3.39Å
110S26Very low28.3Very low106 Ų10699.7 Ų99.774%0.74154%0.543SS*.  trans-75106.5178.456.40000111.7S112S110-S112 PolarHBondContact O-N 3.13Å
111L28Very low28.6Very low32 Ų32103.1 Ų103.117%0.16855%0.554CS.*  trans-84.3109.3172.3-163.376.3000110.9L104 E109 L128 P129 F130L104-L111 HydrophobicContact CB-CB 4.23Å; L104-L111 HydrophobicContact CD1-CB 3.89Å; L104-L111 HydrophobicContact CD1-CD2 3.72Å; L104-L111 HydrophobicContact CD1-CG 4.35Å; E109-L111 PolarHBondContact O-N 3.39Å; L111-L128 HydrophobicContact CD2-CD2 3.94Å; L111-P129 HydrophobicContact CD1-CG 3.65Å; L111-F130 HydrophobicContact CD1-CE2 3.55Å; L111-F130 HydrophobicContact CD1-CZ 3.71Å; L111-F130 HydrophobicContact CD2-CE2 3.86Å; L111-F130 HydrophobicContact CG-CE2 4.37Å
112S27.5Very low28.7Very low65 Ų6597.4 Ų97.446%0.45553%0.531SS..EExtended strand (participates in β ladder)trans-88.3118.7169.1-60.70000109.9S110 C114S110-S112 PolarHBondContact O-N 3.13Å; S112-C114 PolarHBondContact O-N 3.13Å
113I29.4Very low28.7Very low15 Ų1597.5 Ų97.58%0.07754%0.538CS..EExtended strand (participates in β ladder)trans-85.8105.6170.1-56.8175.7000107.3F102 Q115 L126 L128F102-I113 HydrophobicContact CB-CB 3.99Å; F102-I113 HydrophobicContact CB-CD1 3.96Å; F102-I113 HydrophobicContact CB-CG1 4.07Å; F102-I113 HydrophobicContact CD1-CD1 4.41Å; F102-I113 HydrophobicContact CD2-CB 3.87Å; F102-I113 HydrophobicContact CD2-CD1 4.32Å; F102-I113 HydrophobicContact CD2-CG2 4.22Å; F102-I113 HydrophobicContact CG-CB 4.18Å; F102-I113 HydrophobicContact CG-CD1 3.99Å; F102-I113 HydrophobicContact CG-CG1 4.45Å; I113-Q115 PolarHBondContact O-N 2.79Å; I113-L126 HydrophobicContact CD1-CD1 4.01Å; I113-L126 HydrophobicContact CD1-CD2 4.02Å; I113-L126 HydrophobicContact CD1-CG 4.1Å; I113-L126 HydrophobicContact CG2-CD1 4.18Å; I113-L126 HydrophobicContact CG2-CG 4.48Å; I113-L128 HydrophobicContact CD1-CD2 4.01Å; I113-L128 HydrophobicContact CG1-CD2 4.26Å
114C25.8Very low28.9Very low122 Ų12297.9 Ų97.982%0.82453%0.526SS*.  trans-77.3-18.4-169.7-63.50000114.4S112S112-C114 PolarHBondContact O-N 3.13Å
115Q27.8Very low29.1Very low112 Ų11298.6 Ų98.652%0.52353%0.53SS..  trans-154.3135.4179.2-160.1168.43.700110.9I113 Q117I113-Q115 PolarHBondContact O-N 2.79Å; Q115-Q117 HydrophobicContact CG-CG 4.19Å; Q115-Q117 VanDerWaalsContact NE2-NE2 3.12Å
116A30.2Very low29.4Very low38 Ų3893.3 Ų93.331%0.31450%0.502SS..EExtended strand (participates in β ladder)trans-125.5114.7169.900000108.2F102 W124F102-A116 HydrophobicContact CE2-CB 4.13Å; A116-W124 HydrophobicContact CB-CE3 4.23Å
117Q28.3Very low29.5Very low92 Ų9295.4 Ų95.443%0.4350%0.503SS..EExtended strand (participates in β ladder)trans-99125-179.6-64.1-167.31400110.6Q115 M119 L125Q115-Q117 HydrophobicContact CG-CG 4.19Å; Q115-Q117 VanDerWaalsContact NE2-NE2 3.12Å; Q117-M119 PolarHBondContact O-N 2.63Å; Q117-L125 PolarHBondContact N-O 3Å; Q117-L125 PolarHBondContact O-N 2.82Å
118H31.7Very low29.8Very low118 Ų11888.5 Ų88.555%0.54647%0.472SS..EExtended strand (participates in β ladder)trans-75.798.9172.9175.2-80.9000109.2W124H118-W124 HydrophobicContact CB-CE3 4.02Å; H118-W124 HydrophobicContact CB-CH2 4.16Å; H118-W124 HydrophobicContact CB-CZ3 3.6Å
119M31.6Very low29.9Very low108 Ų10886.1 Ų86.153%0.53247%0.469SS..EExtended strand (participates in β ladder)trans-77.7-45.5-174.3-68.8-69.8-78.700112.1Q117 S123 L125Q117-M119 PolarHBondContact O-N 2.63Å; M119-S123 PolarHBondContact N-O 3.22Å; M119-S123 VanDerWaalsContact N-O 3.14Å; M119-L125 HydrophobicContact CG-CB 3.87Å; M119-L125 HydrophobicContact SD-CB 4.41Å
120Q30.9Very low30.2Very low150 Ų15082 Ų8270%0.70145%0.449SS*.EExtended strand (participates in β ladder)trans-168.6171.1178.2-113.2157.768.200110G122 S123Q120-G122 PolarHBondContact O-N 2.79Å; Q120-S123 PolarHBondContact O-N 2.82Å
121V33.2Very low30.5Very low121 Ų12185.8 Ų85.873%0.73345%0.454SS*.THydrogen-bonded Turntrans-59.9106.8-179.7-178.40000110F161V121-F161 HydrophobicContact CG1-CE1 4.27Å
122G31.1Very low30.5Very low28 Ų2888 Ų8829%0.28949%0.486SS..THydrogen-bonded Turntrans102.712.5-176.800000115.7Q120 W139Q120-G122 PolarHBondContact O-N 2.79Å; G122-W139 VanDerWaalsContact C-CE2 3.47Å
123S30.1Very low30.5Very low52 Ų5289.9 Ų89.936%0.36449%0.49SS..EExtended strand (participates in β ladder)trans-149.1120.6175.9-54.50000114M119 Q120 W139M119-S123 PolarHBondContact N-O 3.22Å; M119-S123 VanDerWaalsContact N-O 3.14Å; Q120-S123 PolarHBondContact O-N 2.82Å; S123-W139 VanDerWaalsContact C-CH2 3.48Å
124W31.5Very low30.4Very low128 Ų12897.6 Ų97.649%0.48553%0.526SS..EExtended strand (participates in β ladder)trans-97.3131.7162.3-67.2116.3000107.7A116 H118 W139A116-W124 HydrophobicContact CB-CE3 4.23Å; H118-W124 HydrophobicContact CB-CE3 4.02Å; H118-W124 HydrophobicContact CB-CH2 4.16Å; H118-W124 HydrophobicContact CB-CZ3 3.6Å; W124-W139 HydrophobicContact CB-CH2 4.01Å; W124-W139 HydrophobicContact CB-CZ3 3.81Å; W124-W139 AromaticContact CD1-CH2 3.09Å; W124-W139 AromaticContact CD1-CZ3 3.31Å; W124-W139 AromaticContact CG-CH2 3.62Å; W124-W139 HydrophobicContact CG-CH2 3.62Å; W124-W139 AromaticContact CG-CZ3 3.82Å; W124-W139 HydrophobicContact CG-CZ3 3.82Å; W124-W139 AromaticContact NE1-CH2 3.71Å
125L31.8Very low30.6Very low52 Ų5295.9 Ų95.927%0.27250%0.502SS..EExtended strand (participates in β ladder)trans-80.2122.7160.8-172.369.6000108Q117 M119 E127Q117-L125 PolarHBondContact N-O 3Å; Q117-L125 PolarHBondContact O-N 2.82Å; M119-L125 HydrophobicContact CG-CB 3.87Å; M119-L125 HydrophobicContact SD-CB 4.41Å; L125-E127 HydrophobicContact CD2-CG 4.32Å; L125-E127 HydrophobicContact CG-CG 4.4Å
126L33.3Very low30.6Very low32 Ų3298.8 Ų98.817%0.16852%0.516CS..EExtended strand (participates in β ladder)trans-111.197-179.8-156.281.6000109.3I113 L128 L137I113-L126 HydrophobicContact CD1-CD1 4.01Å; I113-L126 HydrophobicContact CD1-CD2 4.02Å; I113-L126 HydrophobicContact CD1-CG 4.1Å; I113-L126 HydrophobicContact CG2-CD1 4.18Å; I113-L126 HydrophobicContact CG2-CG 4.48Å; L126-L128 HydrophobicContact CD2-CD2 3.96Å; L126-L128 HydrophobicContact CD2-CG 4.26Å; L126-L128 HydrophobicContact CG-CD2 4.42Å; L126-L128 PolarHBondContact O-N 2.69Å; L126-L128 VanDerWaalsContact O-N 3.1Å; L126-L137 HydrophobicContact CB-CD1 3.65Å; L126-L137 HydrophobicContact CD2-CD1 3.68Å; L126-L137 HydrophobicContact CG-CD1 4.27Å
127E32.2Very low30.6Very low117 Ų117101.2 Ų101.255%0.54752%0.523SS..  trans-78.795.9176.7-66.3-164.3150.500110L125L125-E127 HydrophobicContact CD2-CG 4.32Å; L125-E127 HydrophobicContact CG-CG 4.4Å
128L32.1Very low30.6Very low42 Ų42101.8 Ų101.822%0.2253%0.533CS..  trans-82.2131.4170.3-62174.1000108.9L111 I113 L126 F130 Y135L111-L128 HydrophobicContact CD2-CD2 3.94Å; I113-L128 HydrophobicContact CD1-CD2 4.01Å; I113-L128 HydrophobicContact CG1-CD2 4.26Å; L126-L128 HydrophobicContact CD2-CD2 3.96Å; L126-L128 HydrophobicContact CD2-CG 4.26Å; L126-L128 HydrophobicContact CG-CD2 4.42Å; L126-L128 PolarHBondContact O-N 2.69Å; L126-L128 VanDerWaalsContact O-N 3.1Å; L128-F130 HydrophobicContact CB-CD2 4.38Å; L128-F130 PolarHBondContact O-N 3.06Å; L128-Y135 HydrophobicContact CD1-CD2 3.98Å; L128-Y135 HydrophobicContact CD1-CE2 4.13Å
129P29.3Very low30.6Very low93 Ų93100.6 Ų100.660%0.60452%0.524SS*.  trans-75.728.8-172.331.9-37.7000114.6L111L111-P129 HydrophobicContact CD1-CG 3.65Å
130F31.6Very low30.4Very low100 Ų100101.1 Ų101.144%0.43954%0.537SS..SBendtrans-105.9110-176.3-66.6-68.9000112.3L111 L128 G132 L133L111-F130 HydrophobicContact CD1-CE2 3.55Å; L111-F130 HydrophobicContact CD1-CZ 3.71Å; L111-F130 HydrophobicContact CD2-CE2 3.86Å; L111-F130 HydrophobicContact CG-CE2 4.37Å; L128-F130 HydrophobicContact CB-CD2 4.38Å; L128-F130 PolarHBondContact O-N 3.06Å; F130-G132 PolarHBondContact O-N 2.94Å; F130-L133 PolarHBondContact O-N 3.25Å
131H32.8Very low30.3Very low184 Ų18499.2 Ų99.285%0.85253%0.53SS*.THydrogen-bonded Turntrans54.320.1161.9-63.2-73.6000118.3L133H131-L133 VanDerWaalsContact C-N 3.28Å; H131-L133 PolarHBondContact O-N 3.41Å
132G28.2Very low30.1Very low80 Ų8099.9 Ų99.983%0.82553%0.525SS*.THydrogen-bonded Turntrans72.818.9176.700000114.3F130F130-G132 PolarHBondContact O-N 2.94Å
133L27.3Very low30Very low104 Ų104100.7 Ų100.755%0.54552%0.522SS..  trans-82.1116.1175.4-67.5170.4000110F130 H131 Y135F130-L133 PolarHBondContact O-N 3.25Å; H131-L133 VanDerWaalsContact C-N 3.28Å; H131-L133 PolarHBondContact O-N 3.41Å; L133-Y135 HydrophobicContact CB-CD2 4.44Å; L133-Y135 HydrophobicContact CB-CE2 3.7Å; L133-Y135 VanDerWaalsContact O-CD2 3.28Å; L133-Y135 WeakPolarHBondContact O-CD2 2.86Å; L133-Y135 WeakPolarHBondContact O-CE2 3.29Å
134Q28.3Very low29.9Very low177 Ų177100.8 Ų100.883%0.82752%0.522SS*.  trans-81.5127.6169.9-70-176.6-28.900110
135Y29.2Very low29.9Very low85 Ų8597.4 Ų97.433%0.33351%0.513SS..  trans-108.3110.8179.2-66.4-89.1000110.5L128 L133 L137L128-Y135 HydrophobicContact CD1-CD2 3.98Å; L128-Y135 HydrophobicContact CD1-CE2 4.13Å; L133-Y135 HydrophobicContact CB-CD2 4.44Å; L133-Y135 HydrophobicContact CB-CE2 3.7Å; L133-Y135 VanDerWaalsContact O-CD2 3.28Å; L133-Y135 WeakPolarHBondContact O-CD2 2.86Å; L133-Y135 WeakPolarHBondContact O-CE2 3.29Å; Y135-L137 PolarHBondContact O-N 3.19Å
136E28.8Very low29.9Very low173 Ų17397 Ų9781%0.80851%0.511SS*.  trans-77.898.6171.1-168.1-178.2168.200110T138E136-T138 VanDerWaalsContact C-N 3.32Å; E136-T138 PolarHBondContact O-N 3.32Å; E136-T138 VanDerWaalsContact O-N 3.07Å
137L28.7Very low30.1Very low89 Ų8997.5 Ų97.547%0.46651%0.514SS..  trans-83.473177.8-80.9161.1000111.5L126 Y135 W139L126-L137 HydrophobicContact CB-CD1 3.65Å; L126-L137 HydrophobicContact CD2-CD1 3.68Å; L126-L137 HydrophobicContact CG-CD1 4.27Å; Y135-L137 PolarHBondContact O-N 3.19Å; L137-W139 PolarHBondContact O-N 2.95Å; L137-W139 VanDerWaalsContact O-N 3.09Å
138T28.5Very low30Very low105 Ų10594.9 Ų94.964%0.64450%0.504SS*.  trans-70100.1171.7-36.50000110.5E136E136-T138 VanDerWaalsContact C-N 3.32Å; E136-T138 PolarHBondContact O-N 3.32Å; E136-T138 VanDerWaalsContact O-N 3.07Å
139W31.7Very low30Very low93 Ų9397.7 Ų97.735%0.35252%0.519SS..  trans-91.9147.9171.367.871.7000112.1G122 S123 W124 L137 I141G122-W139 VanDerWaalsContact C-CE2 3.47Å; S123-W139 VanDerWaalsContact C-CH2 3.48Å; W124-W139 HydrophobicContact CB-CH2 4.01Å; W124-W139 HydrophobicContact CB-CZ3 3.81Å; W124-W139 AromaticContact CD1-CH2 3.09Å; W124-W139 AromaticContact CD1-CZ3 3.31Å; W124-W139 AromaticContact CG-CH2 3.62Å; W124-W139 HydrophobicContact CG-CH2 3.62Å; W124-W139 AromaticContact CG-CZ3 3.82Å; W124-W139 HydrophobicContact CG-CZ3 3.82Å; W124-W139 AromaticContact NE1-CH2 3.71Å; L137-W139 PolarHBondContact O-N 2.95Å; L137-W139 VanDerWaalsContact O-N 3.09Å; W139-I141 VanDerWaalsContact CD1-CG1 3.41Å
140C27.4Very low30.2Very low118 Ų11894.3 Ų94.380%0.79750%0.495SS*.  trans-108.6106.6169.7-73.10000108.9H142C140-H142 VanDerWaalsContact C-N 3.34Å; C140-H142 PolarHBondContact O-N 3.11Å
141I29Very low30.3Very low110 Ų11091.6 Ų91.656%0.56449%0.485SS*.  trans-74.690173.1-40.3-177.3000108.6W139 M143W139-I141 VanDerWaalsContact CD1-CG1 3.41Å; I141-M143 VanDerWaalsContact C-N 3.28Å; I141-M143 HydrophobicContact CG2-CE 4.4Å; I141-M143 HydrophobicContact CG2-CG 3.77Å; I141-M143 HydrophobicContact CG2-SD 4.42Å; I141-M143 PolarHBondContact O-N 3.17Å
142H29.2Very low30.2Very low136 Ų13685.2 Ų85.263%0.6346%0.461SS*.  trans-82.376176-157.6104.4000110.2C140C140-H142 VanDerWaalsContact C-N 3.34Å; C140-H142 PolarHBondContact O-N 3.11Å
143M28.8Very low30.3Very low44 Ų4487.1 Ų87.122%0.21745%0.447CS..  trans-67.1149.5172.9-74.6-176.7-76.100111.7L28 I141 D147 L151L28-M143 HydrophobicContact CB-CB 4.32Å; L28-M143 HydrophobicContact CD1-CE 3.75Å; L28-M143 HydrophobicContact CD1-SD 4.13Å; L28-M143 HydrophobicContact CD2-CB 4.04Å; L28-M143 HydrophobicContact CD2-CE 4.24Å; L28-M143 CarbonylContact O-C 3.39Å; L28-M143 VanDerWaalsContact O-CB 3.31Å; L28-M143 WeakPolarHBondContact O-CB 3.48Å; L28-M143 VanDerWaalsContact O-O 3.1Å; I141-M143 VanDerWaalsContact C-N 3.28Å; I141-M143 HydrophobicContact CG2-CE 4.4Å; I141-M143 HydrophobicContact CG2-CG 3.77Å; I141-M143 HydrophobicContact CG2-SD 4.42Å; I141-M143 PolarHBondContact O-N 3.17Å; M143-D147 WeakPolarHBondContact CA-OD2 3.42Å; M143-D147 HydrophobicContact CB-CB 3.73Å; M143-D147 VanDerWaalsContact CB-OD2 3.26Å; M143-D147 WeakPolarHBondContact CB-OD2 3.31Å; M143-D147 HydrophobicContact CG-CB 3.92Å; M143-D147 VanDerWaalsContact CG-CG 3.46Å; M143-D147 HydrophobicContact SD-CB 3.93Å; M143-L151 HydrophobicContact SD-CD1 3.64Å
144C28.4Very low30.4Very low54 Ų5487 Ų8737%0.36545%0.45SS..  trans-106.8159.1-180-69.40000111.7L28 F29 D146 D147L28-C144 CarbonylContact C-O 3.45Å; L28-C144 VanDerWaalsContact CA-O 3.25Å; L28-C144 WeakPolarHBondContact CA-O 3.25Å; L28-C144 PolarHBondContact N-O 3.04Å; L28-C144 CarbonylContact O-C 3.57Å; L28-C144 WeakPolarHBondContact O-CA 3.3Å; L28-C144 PolarHBondContact O-N 3.19Å; L28-C144 VanDerWaalsContact O-N 3.13Å; F29-C144 HydrophobicContact CD1-CB 4.08Å; F29-C144 HydrophobicContact CE1-CB 3.53Å; F29-C144 VanDerWaalsContact CE1-SG 3.56Å; F29-C144 HydrophobicContact CZ-CB 3.91Å; F29-C144 VanDerWaalsContact N-C 3.32Å; C144-D146 CarbonylContact O-C 3.01Å; C144-D146 PolarHBondContact O-N 2.94Å; C144-D147 PolarHBondContact N-OD2 3.09Å; C144-D147 WeakPolarHBondContact O-CB 3.24Å; C144-D147 PolarHBondContact O-N 3.14Å
145N31Very low30.6Very low57 Ų5783.6 Ų83.631%0.30543%0.433SS..THydrogen-bonded Turntrans-6317.6176.1-98.8-18.7000114I15 A27 L28 F29I15-N145 HydrophobicContact CD1-CB 4.13Å; I15-N145 HydrophobicContact CG1-CB 3.91Å; I15-N145 HydrophobicContact CG2-CB 4.22Å; A27-N145 CarbonylContact C-O 3.42Å; A27-N145 VanDerWaalsContact C-O 3.3Å; A27-N145 WeakPolarHBondContact CA-O 3.41Å; A27-N145 WeakPolarHBondContact CB-O 3.28Å; L28-N145 VanDerWaalsContact C-CA 3.48Å; L28-N145 VanDerWaalsContact C-N 3.34Å; L28-N145 VanDerWaalsContact N-CA 3.29Å; F29-N145 HydrophobicContact CB-CB 4.08Å; F29-N145 HydrophobicContact CD2-CB 3.22Å; F29-N145 HydrophobicContact CE2-CB 3.71Å; F29-N145 HydrophobicContact CG-CB 3.82Å; F29-N145 VanDerWaalsContact N-CG 3.29Å; F29-N145 VanDerWaalsContact N-N 3.13Å; F29-N145 PolarHBondContact N-OD1 3.18Å
146D32.6Very low30.5Very low43 Ų4387.4 Ų87.423%0.2345%0.453CS..THydrogen-bonded Turntrans-115.824.1166.3-55.1-67.9000112.3Q16 L26 C144Q16-D146 PolarHBondContact N-OD2 3.03Å; Q16-D146 VanDerWaalsContact N-OD2 3.13Å; L26-D146 CarbonylContact C-O 3.56Å; L26-D146 VanDerWaalsContact CB-O 3.23Å; L26-D146 WeakPolarHBondContact CB-O 3.31Å; L26-D146 CarbonylContact O-C 3.05Å; L26-D146 WeakPolarHBondContact O-CA 3.47Å; L26-D146 VanDerWaalsContact O-O 3.04Å; C144-D146 CarbonylContact O-C 3.01Å; C144-D146 PolarHBondContact O-N 2.94Å
147D36.3Very low30.4Very low43 Ų4386.6 Ų86.623%0.2345%0.454CS..SBendtrans-102.8-70.9164.3-78.3-75.7000122.9L26 A27 L28 M143 C144 L151L26-D147 CarbonylContact C-O 3.55Å; L26-D147 WeakPolarHBondContact CA-O 3.37Å; L26-D147 WeakPolarHBondContact CB-O 3.4Å; L26-D147 VanDerWaalsContact CD2-O 3.26Å; L26-D147 WeakPolarHBondContact CD2-O 3.23Å; L26-D147 WeakPolarHBondContact CG-O 3.26Å; A27-D147 VanDerWaalsContact C-N 3.32Å; A27-D147 PolarHBondContact N-O 2.97Å; L28-D147 HydrophobicContact CB-CB 3.56Å; L28-D147 VanDerWaalsContact N-C 3.3Å; L28-D147 VanDerWaalsContact N-CA 3.29Å; M143-D147 WeakPolarHBondContact CA-OD2 3.42Å; M143-D147 HydrophobicContact CB-CB 3.73Å; M143-D147 VanDerWaalsContact CB-OD2 3.26Å; M143-D147 WeakPolarHBondContact CB-OD2 3.31Å; M143-D147 HydrophobicContact CG-CB 3.92Å; M143-D147 VanDerWaalsContact CG-CG 3.46Å; M143-D147 HydrophobicContact SD-CB 3.93Å; C144-D147 PolarHBondContact N-OD2 3.09Å; C144-D147 WeakPolarHBondContact O-CB 3.24Å; C144-D147 PolarHBondContact O-N 3.14Å; D147-L151 HydrophobicContact CB-CD1 4.4Å; D147-L151 PolarHBondContact O-N 3.43Å
148L30.3Very low30.4Very low62 Ų6285.7 Ų85.733%0.32545%0.453SS..Hα-helixtrans-46.9-57.8179.6-133.8175.1000116.7A27 L28 L150 L151 S152A27-L148 VanDerWaalsContact C-CB 3.41Å; A27-L148 VanDerWaalsContact CA-N 3.33Å; A27-L148 CarbonylContact O-C 3.35Å; A27-L148 VanDerWaalsContact O-CA 3.29Å; A27-L148 WeakPolarHBondContact O-CA 2.99Å; A27-L148 WeakPolarHBondContact O-CB 3.47Å; A27-L148 PolarHBondContact O-N 2.95Å; L28-L148 VanDerWaalsContact CA-N 3.33Å; L28-L148 HydrophobicContact CB-CB 3.34Å; L28-L148 HydrophobicContact CB-CD1 4.41Å; L28-L148 HydrophobicContact CB-CG 3.98Å; L28-L148 HydrophobicContact CD1-CB 4.14Å; L28-L148 HydrophobicContact CD1-CD1 4.27Å; L28-L148 HydrophobicContact CD1-CG 3.83Å; L28-L148 HydrophobicContact CG-CB 3.87Å; L28-L148 HydrophobicContact CG-CD1 4.04Å; L28-L148 HydrophobicContact CG-CG 3.92Å; L148-L150 CarbonylContact O-C 3.38Å; L148-L150 PolarHBondContact O-N 2.71Å; L148-L151 CarbonylContact O-C 2.96Å; L148-L151 VanDerWaalsContact O-CA 3.3Å; L148-L151 WeakPolarHBondContact O-CA 3.24Å; L148-L151 WeakPolarHBondContact O-CB 3.42Å; L148-L151 PolarHBondContact O-N 3.48Å; L148-S152 VanDerWaalsContact CD2-CB 3.44Å; L148-S152 PolarHBondContact O-N 3.07Å; L148-S152 PolarHBondContact O-OG 3.04Å; L148-S152 VanDerWaalsContact O-OG 3.06Å
149L31.5Very low30.1Very low102 Ų10285.8 Ų85.853%0.53446%0.464SS..Hα-helixtrans-68.84.9-162.7-130.5167.1000113.3A27 K153A27-L149 VanDerWaalsContact C-N 3.34Å; A27-L149 VanDerWaalsContact CA-N 3.26Å; A27-L149 HydrophobicContact CB-CB 3.29Å; A27-L149 HydrophobicContact CB-CD1 4.32Å; A27-L149 HydrophobicContact CB-CG 4.45Å; A27-L149 PolarHBondContact O-N 2.82Å; L149-K153 WeakPolarHBondContact O-CE 3.27Å
150L33.8Very low29.7Very low21 Ų2185.3 Ų85.311%0.1148%0.475CS..Hα-helixtrans-123.3-24.3154.8-137.394.4000114.1P24 I25 L26 L148 S152 K153 V154P24-L150 HydrophobicContact CB-CD1 3.89Å; P24-L150 HydrophobicContact CG-CD1 3.45Å; P24-L150 VanDerWaalsContact CG-CD1 3.45Å; P24-L150 HydrophobicContact CG-CD2 4.02Å; P24-L150 HydrophobicContact CG-CG 4.32Å; P24-L150 WeakPolarHBondContact O-CD2 3.41Å; I25-L150 VanDerWaalsContact O-CD1 3.3Å; I25-L150 WeakPolarHBondContact O-CD1 3.48Å; L26-L150 HydrophobicContact CB-CB 4.17Å; L26-L150 HydrophobicContact CD1-CB 3.67Å; L26-L150 HydrophobicContact CD1-CD2 3.73Å; L26-L150 HydrophobicContact CD1-CG 4.34Å; L26-L150 HydrophobicContact CG-CB 3.73Å; L148-L150 CarbonylContact O-C 3.38Å; L148-L150 PolarHBondContact O-N 2.71Å; L150-S152 PolarHBondContact O-N 3.29Å; L150-K153 HydrophobicContact CD1-CD 3.59Å; L150-K153 HydrophobicContact CG-CB 4.26Å; L150-K153 HydrophobicContact CG-CD 4.06Å; L150-K153 CarbonylContact O-C 3.09Å; L150-K153 WeakPolarHBondContact O-CA 3.29Å; L150-K153 WeakPolarHBondContact O-CB 3.21Å; L150-K153 PolarHBondContact O-N 3.34Å; L150-V154 WeakPolarHBondContact O-CG2 3.17Å; L150-V154 PolarHBondContact O-N 3.3Å
151L34.2Very low29.7Very low44 Ų4487.4 Ų87.423%0.2347%0.471CS..Hα-helixtrans-53.8-34.2162-104.7168000112.7L26 M143 D147 L148 K153 V154 F155L26-L151 HydrophobicContact CD2-CD1 4.33Å; L26-L151 HydrophobicContact CD2-CG 4.03Å; M143-L151 HydrophobicContact SD-CD1 3.64Å; D147-L151 HydrophobicContact CB-CD1 4.4Å; D147-L151 PolarHBondContact O-N 3.43Å; L148-L151 CarbonylContact O-C 2.96Å; L148-L151 VanDerWaalsContact O-CA 3.3Å; L148-L151 WeakPolarHBondContact O-CA 3.24Å; L148-L151 WeakPolarHBondContact O-CB 3.42Å; L148-L151 PolarHBondContact O-N 3.48Å; L151-K153 VanDerWaalsContact C-N 3.32Å; L151-V154 CarbonylContact O-C 3.49Å; L151-V154 PolarHBondContact O-N 3.41Å; L151-F155 HydrophobicContact CD2-CD2 3.61Å; L151-F155 HydrophobicContact CD2-CE2 3.51Å; L151-F155 VanDerWaalsContact O-CB 3.25Å; L151-F155 WeakPolarHBondContact O-CB 3.49Å; L151-F155 VanDerWaalsContact O-CD2 3.29Å; L151-F155 WeakPolarHBondContact O-CD2 3.28Å; L151-F155 PolarHBondContact O-N 3.48Å
152S29.9Very low29.4Very low49 Ų4992.5 Ų92.534%0.34348%0.484SS..Hα-helixtrans-78.9-8.4170.454.70000114.3L148 L150 F155 E156L148-S152 VanDerWaalsContact CD2-CB 3.44Å; L148-S152 PolarHBondContact O-N 3.07Å; L148-S152 PolarHBondContact O-OG 3.04Å; L148-S152 VanDerWaalsContact O-OG 3.06Å; L150-S152 PolarHBondContact O-N 3.29Å; S152-F155 CarbonylContact O-C 3.28Å; S152-E156 PolarHBondContact O-N 2.96Å
153K30.2Very low29.2Very low121 Ų12190.4 Ų90.453%0.52648%0.477SS..Hα-helixtrans-95-23.2166.7-59-179.8-171.11620111.7L149 L150 L151L149-K153 WeakPolarHBondContact O-CE 3.27Å; L150-K153 HydrophobicContact CD1-CD 3.59Å; L150-K153 HydrophobicContact CG-CB 4.26Å; L150-K153 HydrophobicContact CG-CD 4.06Å; L150-K153 CarbonylContact O-C 3.09Å; L150-K153 WeakPolarHBondContact O-CA 3.29Å; L150-K153 WeakPolarHBondContact O-CB 3.21Å; L150-K153 PolarHBondContact O-N 3.34Å; L151-K153 VanDerWaalsContact C-N 3.32Å
154V31.2Very low28.9Very low100 Ų10097.2 Ų97.261%0.60651%0.506SS*.Hα-helixtrans-76.6-30164.6173.10000110.6L150 L151L150-V154 WeakPolarHBondContact O-CG2 3.17Å; L150-V154 PolarHBondContact O-N 3.3Å; L151-V154 CarbonylContact O-C 3.49Å; L151-V154 PolarHBondContact O-N 3.41Å
155F30.9Very low28.7Very low107 Ų107100.2 Ų100.247%0.46951%0.513SS..  trans-123.561-179.2-66.6-65.1000112.8L151 S152 N157 V158L151-F155 HydrophobicContact CD2-CD2 3.61Å; L151-F155 HydrophobicContact CD2-CE2 3.51Å; L151-F155 VanDerWaalsContact O-CB 3.25Å; L151-F155 WeakPolarHBondContact O-CB 3.49Å; L151-F155 VanDerWaalsContact O-CD2 3.29Å; L151-F155 WeakPolarHBondContact O-CD2 3.28Å; L151-F155 PolarHBondContact O-N 3.48Å; S152-F155 CarbonylContact O-C 3.28Å; F155-N157 PolarHBondContact O-N 2.85Å; F155-V158 HydrophobicContact CB-CB 4.01Å; F155-V158 HydrophobicContact CB-CG2 3.68Å; F155-V158 HydrophobicContact CD1-CG2 3.78Å; F155-V158 HydrophobicContact CG-CG2 3.92Å; F155-V158 PolarHBondContact O-N 3.12Å
156E28.6Very low28.5Very low164 Ų164103.2 Ų103.277%0.76654%0.536SS*.THydrogen-bonded Turntrans-58.9-9.7175.5-64.7-170.9134.600114.3S152S152-E156 PolarHBondContact O-N 2.96Å
157N26.1Very low28Very low156 Ų156108.3 Ų108.383%0.83456%0.563SS**THydrogen-bonded Turntrans-116.25-177.3-73.5-70.9000115.2F155 A159F155-N157 PolarHBondContact O-N 2.85Å; N157-A159 PolarHBondContact O-N 3.42Å
158V27.6Very low27.4Very low71 Ų71113.5 Ų113.543%0.4359%0.586SS.*  trans-91.997.2-177177.30000111.6F155 S160 F161F155-V158 HydrophobicContact CB-CB 4.01Å; F155-V158 HydrophobicContact CB-CG2 3.68Å; F155-V158 HydrophobicContact CD1-CG2 3.78Å; F155-V158 HydrophobicContact CG-CG2 3.92Å; F155-V158 PolarHBondContact O-N 3.12Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 2.85Å; V158-F161 HydrophobicContact CG1-CD2 3.82Å; V158-F161 HydrophobicContact CG1-CE2 3.69Å
159A22.9Very low27.1Very low106 Ų106118.6 Ų118.688%0.87661%0.612SS**  trans-73.4-9.9-168.800000116.6N157N157-A159 PolarHBondContact O-N 3.42Å
160S23.9Very low26.7Very low83 Ų83118.5 Ų118.558%0.5862%0.615SS**  trans-167.6154.4170.456.50000112.9V158V158-S160 VanDerWaalsContact C-N 3.34Å; V158-S160 PolarHBondContact O-N 2.85Å
161F26.1Very low26.2Very low162 Ų162127.7 Ų127.771%0.71165%0.649SS**  trans-136.9130.6161.4-99.2-69.8000109.5V121 V158V121-F161 HydrophobicContact CG1-CE1 4.27Å; V158-F161 HydrophobicContact CG1-CD2 3.82Å; V158-F161 HydrophobicContact CG1-CE2 3.69Å
162Y24.2Very low25.6Very low218 Ų218132.7 Ų132.786%0.85567%0.674SS**  trans-104.8127.1173.6-82.2-98.6000109.7
163L24.5Very low25.7Very low91 Ų91138 Ų13848%0.47671%0.712SS.*  trans-110.1113176.4-125.1165.2000109.3H30 F32H30-L163 HydrophobicContact CB-CD1 3.7Å; F32-L163 HydrophobicContact CD2-CB 4.05Å; F32-L163 HydrophobicContact CE2-CB 3.74Å; F32-L163 WeakPolarHBondContact CE2-O 2.99Å
164K23.1Very low25.4Very low188 Ų188138.9 Ų138.982%0.81772%0.721SS**  trans-107.9127.9-175.4-162.3179.1-174.8-176.70109.7
165K24.6Very low25.1Very low117 Ų117140.9 Ų140.951%0.50973%0.727SS.*  trans-81.7119.4-179.3-157.2176.9-174.9175.80110.2F32 K33F32-K165 HydrophobicContact CB-CB 4.19Å; F32-K165 HydrophobicContact CB-CD 4.16Å; F32-K165 WeakPolarHBondContact O-CD 3.48Å; F32-K165 WeakPolarHBondContact O-CE 3.49Å; F32-K165 PolarHBondContact O-NZ 3.26Å; K33-K165 VanDerWaalsContact O-CD 3.27Å; K33-K165 WeakPolarHBondContact O-CD 3.35Å; K33-K165 PolarHBondContact O-NZ 2.8Å
166C25.4Very low24.8Very low119 Ų119142.8 Ų142.880%0.80474%0.741SS**  trans-107.7160.8169.7-77.50000111.1
167L23.3Very low24.6Very low150 Ų150141.6 Ų141.679%0.78574%0.74SS**  trans-127.9128.4-163.3177.866.6000110.6
168Q23.8Very low24.5Very low152 Ų152140.7 Ų140.771%0.7173%0.734SS**  trans12.9123.7149.3-177.9-174.3-7.500118.1
169I23.2Very low24.3Very low170 Ų170145.3 Ų145.387%0.87275%0.754SS**  trans-118143.5154.2-63.5-177.9000108.8
170T23.1Very low24.4Very low100 Ų100148.1 Ų148.161%0.61375%0.746SS**  trans-103.3143.5-174.2-45.60000110
171W23.1Very low24.4Very low213 Ų213153.2 Ų153.281%0.80776%0.758SS**  trans-66.5138.4170.5-10976.1000111.8
172I22.5Very low24.3Very low149 Ų149152.4 Ų152.476%0.76476%0.762SS**  trans-134.7128.2161-56.8179.3000105.3
173S30.5Very low24.3Very low162 Ų162146.5 Ų146.5100%1.13375%0.754SS**  trans-8.90-179.261.70000118.1

Retrieved 173 of 173 residues in 26 ms (Link to these results)

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