A0A077ZN17_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 155 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
1M39.7Very low46.8Very low216 Ų21673.5 Ų73.5100%1.06436%0.36SS*.  09.10-81.4-176.2-81.400114.4
2V39.2Very low47.3Very low84 Ų8468.1 Ų68.151%0.50933%0.334SS..  trans-88.5-21.1177.4-174.40000112.6C4 E6V2-C4 PolarHBondContact O-N 3.33Å; V2-E6 PolarHBondContact O-N 3Å
3H41.8Very low47.6Very low150 Ų15064.5 Ų64.569%0.69432%0.319SS*.Hα-helixtrans-63.7-30.8-175.4-85.2-88.1000114.8F7H3-F7 VanDerWaalsContact O-CB 3.27Å; H3-F7 WeakPolarHBondContact O-CB 3.35Å; H3-F7 PolarHBondContact O-N 2.92Å
4C37.7Very low47.6Very low48 Ų4867.6 Ų67.632%0.32434%0.336SS..Hα-helixtrans-70.6-38.8-175.9-66.80000112.6V2 F7 M8 E75 M108V2-C4 PolarHBondContact O-N 3.33Å; C4-F7 PolarHBondContact O-N 3.26Å; C4-M8 WeakPolarHBondContact O-CG 3.47Å; C4-M8 PolarHBondContact O-N 3.27Å; C4-E75 WeakPolarHBondContact CB-OE2 3.15Å; C4-M108 HydrophobicContact CB-CE 3.96Å; C4-M108 VanDerWaalsContact SG-CE 3.55Å
5V45.7Very low47.6Very low20 Ų2064.9 Ų64.912%0.12132%0.321CS..Hα-helixtrans-69.3-47178.8-178.70000110.2F7 M8 L9 E75 A78V5-F7 VanDerWaalsContact C-N 3.27Å; V5-F7 PolarHBondContact O-N 3.33Å; V5-M8 PolarHBondContact O-N 3.35Å; V5-L9 HydrophobicContact CG1-CD1 3.63Å; V5-L9 HydrophobicContact CG1-CG 4.29Å; V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 VanDerWaalsContact O-CG 3.28Å; V5-L9 WeakPolarHBondContact O-CG 3.19Å; V5-L9 PolarHBondContact O-N 3.24Å; V5-E75 VanDerWaalsContact CG2-CA 3.45Å; V5-E75 HydrophobicContact CG2-CB 3.63Å; V5-E75 HydrophobicContact CG2-CG 3.92Å; V5-A78 HydrophobicContact CG1-CB 3.77Å; V5-A78 HydrophobicContact CG2-CB 4.18Å
6E48.5Very low47.3Very low52 Ų5262 Ų6224%0.24331%0.31CS..Hα-helixtrans-59.3-40.7176.5-167.7-175.9155.800111.3V2 R10V2-E6 PolarHBondContact O-N 3Å; E6-R10 HydrophobicContact CG-CG 4.41Å; E6-R10 VanDerWaalsContact O-CB 3.24Å; E6-R10 WeakPolarHBondContact O-CB 3.47Å; E6-R10 VanDerWaalsContact O-CG 3.25Å; E6-R10 WeakPolarHBondContact O-CG 3.43Å; E6-R10 PolarHBondContact O-N 3.08Å; E6-R10 IonicContact OE1-CZ 3.48Å; E6-R10 IonicContact OE1-NE 3.82Å; E6-R10 PolarHBondContact OE1-NE 2.79Å; E6-R10 IonicContact OE1-NH2 3.9Å; E6-R10 PolarHBondContact OE1-NH2 3.24Å
7F50.6Low47.2Very low102 Ų10260.9 Ų60.945%0.44730%0.303SS..Hα-helixtrans-68-43.9178.5-164.8-87.3000112.8H3 C4 V5 Y11 P133H3-F7 VanDerWaalsContact O-CB 3.27Å; H3-F7 WeakPolarHBondContact O-CB 3.35Å; H3-F7 PolarHBondContact O-N 2.92Å; C4-F7 PolarHBondContact O-N 3.26Å; V5-F7 VanDerWaalsContact C-N 3.27Å; V5-F7 PolarHBondContact O-N 3.33Å; F7-Y11 VanDerWaalsContact O-CB 3.3Å; F7-Y11 WeakPolarHBondContact O-CB 3.3Å; F7-Y11 PolarHBondContact O-N 3.41Å; F7-P133 HydrophobicContact CE1-CG 4.44Å; F7-P133 HydrophobicContact CZ-CG 3.92Å
8M51.5Low47Very low6 Ų662.9 Ų62.93%0.0331%0.311CS..Hα-helixtrans-66-39.7178.2-73.5-157.3-64.100111.9C4 V5 Y11 C12 L79 L82C4-M8 WeakPolarHBondContact O-CG 3.47Å; C4-M8 PolarHBondContact O-N 3.27Å; V5-M8 PolarHBondContact O-N 3.35Å; M8-Y11 PolarHBondContact O-N 2.91Å; M8-C12 PolarHBondContact O-N 2.99Å; M8-C12 PolarHBondContact O-SG 3.2Å; M8-L79 HydrophobicContact CE-CD2 3.71Å; M8-L82 HydrophobicContact CE-CD1 4.48Å
9L54.5Low46.7Very low17 Ų1762.7 Ų62.79%0.08931%0.311CS..Hα-helixtrans-74.5-38179.3-63.5172.5000112.5V5 Y11 C12 V13 W56V5-L9 HydrophobicContact CG1-CD1 3.63Å; V5-L9 HydrophobicContact CG1-CG 4.29Å; V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 VanDerWaalsContact O-CG 3.28Å; V5-L9 WeakPolarHBondContact O-CG 3.19Å; V5-L9 PolarHBondContact O-N 3.24Å; L9-Y11 VanDerWaalsContact C-N 3.27Å; L9-Y11 PolarHBondContact O-N 2.96Å; L9-C12 WeakPolarHBondContact O-CB 3.33Å; L9-C12 PolarHBondContact O-N 3.27Å; L9-V13 PolarHBondContact O-N 2.94Å; L9-W56 HydrophobicContact CB-CE3 4.33Å; L9-W56 HydrophobicContact CB-CH2 3.24Å; L9-W56 HydrophobicContact CB-CZ2 3.62Å; L9-W56 HydrophobicContact CB-CZ3 3.63Å; L9-W56 HydrophobicContact CD1-CD2 4.43Å; L9-W56 HydrophobicContact CD1-CH2 4.13Å; L9-W56 HydrophobicContact CD1-CZ2 3.57Å; L9-W56 HydrophobicContact CG-CH2 4.27Å; L9-W56 HydrophobicContact CG-CZ2 4.22Å
10R53.7Low46.6Very low97 Ų9764.1 Ų64.137%0.36632%0.319SS..Hα-helixtrans-59.5-39.8169.3-79.3179.9-176.2-117.91.3111.4E6 V13 L14 I53E6-R10 HydrophobicContact CG-CG 4.41Å; E6-R10 VanDerWaalsContact O-CB 3.24Å; E6-R10 WeakPolarHBondContact O-CB 3.47Å; E6-R10 VanDerWaalsContact O-CG 3.25Å; E6-R10 WeakPolarHBondContact O-CG 3.43Å; E6-R10 PolarHBondContact O-N 3.08Å; E6-R10 IonicContact OE1-CZ 3.48Å; E6-R10 IonicContact OE1-NE 3.82Å; E6-R10 PolarHBondContact OE1-NE 2.79Å; E6-R10 IonicContact OE1-NH2 3.9Å; E6-R10 PolarHBondContact OE1-NH2 3.24Å; R10-V13 PolarHBondContact O-N 3.38Å; R10-L14 WeakPolarHBondContact O-CG 3.11Å; R10-L14 PolarHBondContact O-N 3.01Å; R10-L14 VanDerWaalsContact O-N 3.12Å; R10-I53 HydrophobicContact CG-CD1 4.03Å
11Y51.5Low46.4Very low17 Ų1765.3 Ų65.37%0.06733%0.327CS..Hα-helixtrans-66.1-37.2176.6-166.1-82.1000112.1F7 M8 L9 V13 K15 F129 E131 P133F7-Y11 VanDerWaalsContact O-CB 3.3Å; F7-Y11 WeakPolarHBondContact O-CB 3.3Å; F7-Y11 PolarHBondContact O-N 3.41Å; M8-Y11 PolarHBondContact O-N 2.91Å; L9-Y11 VanDerWaalsContact C-N 3.27Å; L9-Y11 PolarHBondContact O-N 2.96Å; Y11-V13 VanDerWaalsContact C-N 3.31Å; Y11-V13 PolarHBondContact O-N 3.42Å; Y11-K15 HydrophobicContact CD1-CB 4.4Å; Y11-K15 HydrophobicContact CE1-CB 4.19Å; Y11-K15 HydrophobicContact CE1-CD 4.23Å; Y11-K15 HydrophobicContact CE1-CG 4.21Å; Y11-K15 WeakPolarHBondContact O-CB 3.34Å; Y11-K15 PolarHBondContact O-N 3.02Å; Y11-F129 AromaticContact CD1-CD1 3.51Å; Y11-F129 HydrophobicContact CD1-CD1 3.51Å; Y11-F129 HydrophobicContact CD1-CE1 4.01Å; Y11-F129 HydrophobicContact CE1-CD1 4.08Å; Y11-F129 HydrophobicContact CG-CD1 4.39Å; Y11-E131 WeakPolarHBondContact OH-CB 3.08Å; Y11-E131 PolarHBondContact OH-O 3.4Å; Y11-P133 HydrophobicContact CE2-CB 4.28Å
12C52.7Low46.6Very low8 Ų863.9 Ų63.95%0.05431%0.309CS..Hα-helixtrans-55.3-46.6172.1-65.50000111.9M8 L9 S16 L38 F129M8-C12 PolarHBondContact O-N 2.99Å; M8-C12 PolarHBondContact O-SG 3.2Å; L9-C12 WeakPolarHBondContact O-CB 3.33Å; L9-C12 PolarHBondContact O-N 3.27Å; C12-S16 VanDerWaalsContact O-CB 3.29Å; C12-S16 WeakPolarHBondContact O-CB 3.31Å; C12-S16 PolarHBondContact O-N 2.63Å; C12-S16 PolarHBondContact O-OG 3.04Å; C12-L38 HydrophobicContact CB-CD2 4.08Å; C12-F129 HydrophobicContact CB-CE1 4.48Å; C12-F129 WeakPolarHBondContact SG-CE1 3.48Å; C12-F129 WeakPolarHBondContact SG-CZ 3.45Å
13V51.5Low46.7Very low22 Ų2267.1 Ų67.113%0.13332%0.324CS..Hα-helixtrans-65.5-54.5-176.9178.20000110.3L9 R10 Y11 K15 S16 E17 A40 W56L9-V13 PolarHBondContact O-N 2.94Å; R10-V13 PolarHBondContact O-N 3.38Å; Y11-V13 VanDerWaalsContact C-N 3.31Å; Y11-V13 PolarHBondContact O-N 3.42Å; V13-K15 VanDerWaalsContact C-N 3.29Å; V13-K15 PolarHBondContact O-N 3.35Å; V13-S16 PolarHBondContact O-N 2.96Å; V13-S16 VanDerWaalsContact O-N 3.08Å; V13-S16 PolarHBondContact O-OG 2.88Å; V13-E17 WeakPolarHBondContact O-CG 3.4Å; V13-E17 PolarHBondContact O-N 3.33Å; V13-A40 HydrophobicContact CG2-CB 3.65Å; V13-W56 HydrophobicContact CG2-CE3 4.44Å; V13-W56 HydrophobicContact CG2-CZ3 3.84Å
14L47.7Very low46.8Very low107 Ų10770.9 Ų70.956%0.5633%0.332SS*.Hα-helixtrans-57.3-41.9-178.5-69.6170.5000112.4R10 E17 E18R10-L14 WeakPolarHBondContact O-CG 3.11Å; R10-L14 PolarHBondContact O-N 3.01Å; R10-L14 VanDerWaalsContact O-N 3.12Å; L14-E17 WeakPolarHBondContact O-CB 3.44Å; L14-E17 PolarHBondContact O-N 2.97Å; L14-E18 PolarHBondContact O-N 3.16Å
15K48.2Very low46.9Very low27 Ų2774.6 Ų74.612%0.11735%0.348CS..Hα-helixtrans-78.4-25-178.3-146.576.3-171.41680112.3Y11 V13 E18 L19 W128 E131Y11-K15 HydrophobicContact CD1-CB 4.4Å; Y11-K15 HydrophobicContact CE1-CB 4.19Å; Y11-K15 HydrophobicContact CE1-CD 4.23Å; Y11-K15 HydrophobicContact CE1-CG 4.21Å; Y11-K15 WeakPolarHBondContact O-CB 3.34Å; Y11-K15 PolarHBondContact O-N 3.02Å; V13-K15 VanDerWaalsContact C-N 3.29Å; V13-K15 PolarHBondContact O-N 3.35Å; K15-E18 WeakPolarHBondContact CD-OE2 3.46Å; K15-E18 WeakPolarHBondContact CE-OE2 3.32Å; K15-E18 IonicContact NZ-OE1 3.06Å; K15-E18 PolarHBondContact NZ-OE1 2.96Å; K15-E18 IonicContact NZ-OE2 3.91Å; K15-E18 PolarHBondContact NZ-OE2 2.95Å; K15-E18 PolarHBondContact O-N 3.27Å; K15-L19 PolarHBondContact O-N 3.34Å; K15-L19 VanDerWaalsContact O-N 3.08Å; K15-W128 HydrophobicContact CG-CZ2 3.73Å; K15-E131 IonicContact NZ-OE2 3.88Å
16S42.5Very low46.6Very low19 Ų1980.8 Ų80.813%0.13338%0.38CS..Hα-helixtrans-69.2-33.1169.271.10000112.4C12 V13 L19 I20C12-S16 VanDerWaalsContact O-CB 3.29Å; C12-S16 WeakPolarHBondContact O-CB 3.31Å; C12-S16 PolarHBondContact O-N 2.63Å; C12-S16 PolarHBondContact O-OG 3.04Å; V13-S16 PolarHBondContact O-N 2.96Å; V13-S16 VanDerWaalsContact O-N 3.08Å; V13-S16 PolarHBondContact O-OG 2.88Å; S16-L19 PolarHBondContact O-N 2.83Å; S16-I20 VanDerWaalsContact O-CG1 3.31Å; S16-I20 WeakPolarHBondContact O-CG1 3.2Å; S16-I20 PolarHBondContact O-N 3.12Å
17E46Very low45.8Very low43 Ų4385.7 Ų85.720%0.20141%0.409CS..Hα-helixtrans-66.3-35.8172.1-66.4177.4108.500112.2V13 L14 N21 V146V13-E17 WeakPolarHBondContact O-CG 3.4Å; V13-E17 PolarHBondContact O-N 3.33Å; L14-E17 WeakPolarHBondContact O-CB 3.44Å; L14-E17 PolarHBondContact O-N 2.97Å; E17-N21 PolarHBondContact O-N 3.01Å; E17-N21 PolarHBondContact O-ND2 3.19Å; E17-V146 WeakPolarHBondContact OE1-CG2 3.37Å
18E43.7Very low44.8Very low97 Ų9786 Ų8645%0.45343%0.43SS..Hα-helixtrans-67.6-41.5171.8-78.5-169.677.700112.3L14 K15 N21 R22L14-E18 PolarHBondContact O-N 3.16Å; K15-E18 WeakPolarHBondContact CD-OE2 3.46Å; K15-E18 WeakPolarHBondContact CE-OE2 3.32Å; K15-E18 IonicContact NZ-OE1 3.06Å; K15-E18 PolarHBondContact NZ-OE1 2.96Å; K15-E18 IonicContact NZ-OE2 3.91Å; K15-E18 PolarHBondContact NZ-OE2 2.95Å; K15-E18 PolarHBondContact O-N 3.27Å; E18-N21 PolarHBondContact O-N 2.75Å; E18-R22 WeakPolarHBondContact O-CB 3.31Å; E18-R22 PolarHBondContact O-N 3.27Å
19L40.9Very low44Very low59 Ų5990.1 Ų90.131%0.30947%0.465SS..Hα-helixtrans-65.6-44.6179.5-88.3171.7000113.2K15 S16 N21 R22 D23 W128K15-L19 PolarHBondContact O-N 3.34Å; K15-L19 VanDerWaalsContact O-N 3.08Å; S16-L19 PolarHBondContact O-N 2.83Å; L19-N21 VanDerWaalsContact C-N 3.25Å; L19-N21 PolarHBondContact O-N 2.94Å; L19-R22 PolarHBondContact O-N 3.32Å; L19-D23 PolarHBondContact O-N 2.81Å; L19-W128 HydrophobicContact CD1-CD2 4.21Å; L19-W128 HydrophobicContact CD1-CE3 4.38Å; L19-W128 HydrophobicContact CD1-CH2 3.47Å; L19-W128 VanDerWaalsContact CD1-CH2 3.47Å; L19-W128 HydrophobicContact CD1-CZ2 3.18Å; L19-W128 HydrophobicContact CD1-CZ3 4.03Å; L19-W128 HydrophobicContact CD2-CH2 3.21Å; L19-W128 HydrophobicContact CD2-CZ2 3.71Å; L19-W128 HydrophobicContact CD2-CZ3 3.95Å; L19-W128 HydrophobicContact CG-CH2 3.38Å; L19-W128 HydrophobicContact CG-CZ2 3.25Å; L19-W128 HydrophobicContact CG-CZ3 4.31Å
20I45.2Very low43.3Very low90 Ų9095.1 Ų95.146%0.46250%0.498SS..Hα-helixtrans-66.1-31.1179.4-66.9165.5000111.1S16S16-I20 VanDerWaalsContact O-CG1 3.31Å; S16-I20 WeakPolarHBondContact O-CG1 3.2Å; S16-I20 PolarHBondContact O-N 3.12Å
21N41.6Very low42.4Very low91 Ų9199.4 Ų99.449%0.48752%0.522SS..Hα-helixtrans-77.8-32.1173.9-81.1-51.3000113E17 E18 L19E17-N21 PolarHBondContact O-N 3.01Å; E17-N21 PolarHBondContact O-ND2 3.19Å; E18-N21 PolarHBondContact O-N 2.75Å; L19-N21 VanDerWaalsContact C-N 3.25Å; L19-N21 PolarHBondContact O-N 2.94Å
22R43.1Very low42Very low185 Ų185101.6 Ų101.670%0.69854%0.544SS*.Hα-helixtrans-71.9-30.9174.7-105.4-177.8166.7172.6-1.7113.4E18 L19 R24 L25E18-R22 WeakPolarHBondContact O-CB 3.31Å; E18-R22 PolarHBondContact O-N 3.27Å; L19-R22 PolarHBondContact O-N 3.32Å; R22-R24 PolarHBondContact O-N 2.81Å; R22-L25 CarbonylContact O-C 3.48Å; R22-L25 PolarHBondContact O-N 3.31Å
23D41.3Very low41.5Very low152 Ų152105.8 Ų105.881%0.81357%0.571SS**THydrogen-bonded Turntrans-64.1-10.6178.1-138.7-109.8000113.3L19L19-D23 PolarHBondContact O-N 2.81Å
24R44.2Very low41Very low229 Ų229109 Ų10986%0.86460%0.6SS**THydrogen-bonded Turntrans-91.8-8.5171.6-89-174.7150122.8-1.8115R22R22-R24 PolarHBondContact O-N 2.81Å
25L41.1Very low41.1Very low127 Ų127107.6 Ų107.667%0.66559%0.593SS**SBendtrans-138104.8-174.9-76.3160.2000109.5R22R22-L25 CarbonylContact O-C 3.48Å; R22-L25 PolarHBondContact O-N 3.31Å
26D38.1Very low40.9Very low149 Ų149108 Ų10880%0.79760%0.597SS**  trans79.3123.5164.3-73-77.1000119.6
27N32.3Very low41.2Very low156 Ų156113.4 Ų113.483%0.83461%0.614SS**SBendtrans-50.2147.8169.5-62.1-84.3000112.9
28A29.8Very low41.3Very low108 Ų108112.3 Ų112.389%0.89361%0.609SS**  trans80.380.1160.800000117.7
29A35.1Very low41.7Very low92 Ų92111.5 Ų111.576%0.7661%0.605SS**  trans-136142.2144.900000109.5E31A29-E31 PolarHBondContact O-N 3.46Å
30P38.4Very low42.2Very low123 Ų123109.5 Ų109.580%0.79960%0.596SS**  trans-71.4122-163.927.5-32.7000112.4A32P30-A32 PolarHBondContact O-N 2.85Å
31E35Very low41.9Very low186 Ų186106.2 Ų106.287%0.86958%0.581SS**  trans50.654.9145.2-36.7-155.2140.800115.7A29A29-E31 PolarHBondContact O-N 3.46Å
32A43Very low42Very low64 Ų64103 Ų10353%0.52957%0.567SS.*  trans-60134.8153.100000108.2P30 A34P30-A32 PolarHBondContact O-N 2.85Å; A32-A34 PolarHBondContact O-N 3.11Å
33P43.1Very low41.8Very low96 Ų9698.2 Ų98.262%0.62356%0.555SS**  trans-60.3110.2175.823.9-31.2000108.2D35P33-D35 PolarHBondContact O-N 3.09Å
34A40.6Very low41.4Very low90 Ų9095 Ų9574%0.74454%0.544SS*.THydrogen-bonded Turntrans-49.1133.5177.500000109.6A32A32-A34 PolarHBondContact O-N 3.11Å
35D50.7Low40.9Very low76 Ų7686 Ų8641%0.40652%0.516SS..THydrogen-bonded Turntrans98.6-24169.2-165.4-65.5000118.9P33 R37 R60 N61 G62P33-D35 PolarHBondContact O-N 3.09Å; D35-R37 PolarHBondContact O-N 3.08Å; D35-R60 VanDerWaalsContact OD1-C 3.22Å; D35-R60 WeakPolarHBondContact OD1-CA 3.29Å; D35-N61 VanDerWaalsContact CG-CA 3.42Å; D35-N61 WeakPolarHBondContact OD1-CA 3.35Å; D35-N61 PolarHBondContact OD1-N 3.43Å; D35-N61 WeakPolarHBondContact OD2-CA 3.4Å; D35-N61 PolarHBondContact OD2-N 2.97Å; D35-G62 PolarHBondContact OD2-N 3.34Å
36L42.8Very low40.4Very low37 Ų3788 Ų8819%0.19453%0.527CS..  trans-66.7112.4-172-161.181.9000113.8L38 V58 E59 R60 L87L36-L38 HydrophobicContact CD2-CD1 3.76Å; L36-L38 HydrophobicContact CG-CD1 4.14Å; L36-V58 HydrophobicContact CD1-CG1 3.77Å; L36-V58 HydrophobicContact CG-CG1 4.4Å; L36-E59 WeakPolarHBondContact CA-O 3.43Å; L36-R60 HydrophobicContact CD1-CB 3.82Å; L36-R60 HydrophobicContact CD1-CG 3.97Å; L36-L87 HydrophobicContact CD2-CD1 3.8Å; L36-L87 HydrophobicContact CD2-CD2 3.61Å; L36-L87 HydrophobicContact CD2-CG 3.8Å
37R49Very low40.5Very low131 Ų13184.9 Ų84.949%0.49453%0.53SS..EExtended strand (participates in β ladder)trans-112.2131.2172.2-66.2178.9163.9-179.7-3.9110.7D35 F39 V58 E59D35-R37 PolarHBondContact O-N 3.08Å; R37-F39 HydrophobicContact CB-CD2 4.41Å; R37-F39 HydrophobicContact CB-CE2 3.64Å; R37-F39 HydrophobicContact CB-CZ 4.16Å; R37-V58 CarbonylContact O-C 3.46Å; R37-V58 WeakPolarHBondContact O-CA 3.23Å; R37-E59 HydrophobicContact CB-CB 4.26Å; R37-E59 PolarHBondContact N-O 3.25Å; R37-E59 PolarHBondContact O-N 3.43Å
38L49.5Very low40.5Very low20 Ų2083.2 Ų83.211%0.10552%0.519CS..EExtended strand (participates in β ladder)trans-111.8123.2171-77.798000109.7C12 L36 V58 L87C12-L38 HydrophobicContact CB-CD2 4.08Å; L36-L38 HydrophobicContact CD2-CD1 3.76Å; L36-L38 HydrophobicContact CG-CD1 4.14Å; L38-V58 HydrophobicContact CD2-CG2 4.08Å; L38-V58 HydrophobicContact CG-CG1 4.42Å; L38-V58 HydrophobicContact CG-CG2 4.11Å; L38-L87 HydrophobicContact CD1-CD1 4.3Å
39F50.8Low41Very low81 Ų8188.9 Ų88.936%0.35552%0.524SS..EExtended strand (participates in β ladder)trans-110136.8170.1-54.3-96.7000108.7R37 W56 R57 E59R37-F39 HydrophobicContact CB-CD2 4.41Å; R37-F39 HydrophobicContact CB-CE2 3.64Å; R37-F39 HydrophobicContact CB-CZ 4.16Å; F39-W56 CarbonylContact O-C 3.47Å; F39-W56 VanDerWaalsContact O-CA 3.31Å; F39-W56 WeakPolarHBondContact O-CA 3.41Å; F39-R57 HydrophobicContact CB-CB 4.14Å; F39-R57 HydrophobicContact CD2-CB 4.36Å; F39-R57 HydrophobicContact CD2-CG 4.3Å; F39-R57 PolarHBondContact N-O 2.75Å; F39-R57 PolarHBondContact O-N 3.48Å; F39-E59 HydrophobicContact CD2-CG 4.35Å; F39-E59 HydrophobicContact CE2-CG 3.93Å; F39-E59 VanDerWaalsContact CE2-OE2 3.23Å; F39-E59 WeakPolarHBondContact CE2-OE2 3.37Å
40A51.7Low41.3Very low16 Ų1690.8 Ų90.813%0.13252%0.517CS..EExtended strand (participates in β ladder)trans-109.9132.2171.400000109.1V13 I53 W56V13-A40 HydrophobicContact CG2-CB 3.65Å; A40-I53 HydrophobicContact CB-CD1 4.15Å; A40-I53 HydrophobicContact CB-CG2 3.82Å; A40-W56 HydrophobicContact CB-CE3 3.8Å; A40-W56 HydrophobicContact CB-CZ3 3.68Å
41C39.5Very low41.3Very low21 Ų2190 Ų9014%0.14251%0.505CS..EExtended strand (participates in β ladder)trans-102.8117.5170.2-172.80000108.8D54 C55 E149C41-D54 PolarHBondContact O-N 2.68Å; C41-C55 WeakPolarHBondContact CB-SG 3.32Å; C41-C55 PolarHBondContact N-O 3.04Å; C41-E149 PolarHBondContact SG-O 3.26Å
42A42.5Very low41.9Very low23 Ų2386.4 Ų86.419%0.1948%0.483CS..EExtended strand (participates in β ladder)trans-86.4121.6170.900000109.3L51 R52 L148A42-L51 HydrophobicContact CB-CB 4.32Å; A42-L51 HydrophobicContact CB-CD2 4.13Å; A42-R52 CarbonylContact C-O 3.5Å; A42-R52 WeakPolarHBondContact CA-O 3.32Å; A42-L148 HydrophobicContact CB-CD2 3.65Å
43I38.8Very low42.4Very low86 Ų8684.8 Ų84.844%0.44147%0.466SS..EExtended strand (participates in β ladder)trans-95.4121.2169.3-54.3-176.9000107.1C45 R52 D54I43-C45 PolarHBondContact O-N 2.99Å; I43-R52 PolarHBondContact N-O 3.25Å; I43-D54 HydrophobicContact CB-CB 4.47Å; I43-D54 HydrophobicContact CD1-CB 3.8Å; I43-D54 HydrophobicContact CG1-CB 4.12Å
44S34Very low42.9Very low85 Ų8581.4 Ų81.459%0.59444%0.442SS*.  trans-76.9103.6175177.90000109.4N46S44-N46 PolarHBondContact O-N 3.08Å
45C32.2Very low43.5Very low39 Ų3978.5 Ų78.526%0.26442%0.416SS..  trans-73.1110.3167.5-61.70000109.5I43 G47 M48I43-C45 PolarHBondContact O-N 2.99Å; C45-G47 PolarHBondContact O-N 3.27Å; C45-G47 VanDerWaalsContact O-N 3.08Å; C45-M48 HydrophobicContact CB-CE 3.71Å; C45-M48 PolarHBondContact O-N 2.84Å
46N31Very low43.9Very low168 Ų16875.9 Ų75.990%0.89840%0.401SS*.THydrogen-bonded Turntrans-48.3114.9172.9-89.2-34.5000111S44S44-N46 PolarHBondContact O-N 3.08Å
47G41.1Very low44.6Very low84 Ų8477.7 Ų77.787%0.86641%0.405SS*.THydrogen-bonded Turntrans107.4-7.3174.200000116.6C45C45-G47 PolarHBondContact O-N 3.27Å; C45-G47 VanDerWaalsContact O-N 3.08Å
48M31.7Very low44.9Very low121 Ų12171.5 Ų71.560%0.59638%0.381SS*.  trans-111.1124.5172.5-76.7-178.7-78.600109.9C45 Q50C45-M48 HydrophobicContact CB-CE 3.71Å; C45-M48 PolarHBondContact O-N 2.84Å; M48-Q50 PolarHBondContact O-N 3.18Å
49K40.2Very low45Very low228 Ų22872.5 Ų72.599%0.99139%0.386SS*.SBendtrans-65.518.6179-63.6-174.7177.3-178.10114.2
50Q42Very low44.9Very low132 Ų13273.6 Ų73.662%0.61739%0.388SS*.SBendtrans-135.9112.7-172.4-157.8164.53.800109.4M48 R52M48-Q50 PolarHBondContact O-N 3.18Å; Q50-R52 PolarHBondContact O-N 2.62Å
51L38.8Very low44.9Very low105 Ų10578.7 Ų78.755%0.5541%0.413SS..  trans-56.1122.4169.7-74.6163.2000108.8A42A42-L51 HydrophobicContact CB-CB 4.32Å; A42-L51 HydrophobicContact CB-CD2 4.13Å
52R47.7Very low45.6Very low111 Ų11180.9 Ų80.942%0.41944%0.438SS..EExtended strand (participates in β ladder)trans-99123.5176.1-134.9-178.3-164.5-158.50.4107.6A42 I43 Q50 D54 R69A42-R52 CarbonylContact C-O 3.5Å; A42-R52 WeakPolarHBondContact CA-O 3.32Å; I43-R52 PolarHBondContact N-O 3.25Å; Q50-R52 PolarHBondContact O-N 2.62Å; R52-D54 PolarHBondContact O-N 3.32Å; R52-R69 VanDerWaalsContact CZ-NH1 3.33Å
53I52.7Low46Very low31 Ų3182.9 Ų82.916%0.15946%0.455CS..EExtended strand (participates in β ladder)trans-81.8109.5168.1-56.6169.9000105.7R10 A40 W56R10-I53 HydrophobicContact CG-CD1 4.03Å; A40-I53 HydrophobicContact CB-CD1 4.15Å; A40-I53 HydrophobicContact CB-CG2 3.82Å; I53-W56 HydrophobicContact CB-CH2 4.07Å; I53-W56 HydrophobicContact CB-CZ2 3.95Å; I53-W56 HydrophobicContact CD1-CH2 3.71Å; I53-W56 HydrophobicContact CD1-CZ2 4.43Å; I53-W56 HydrophobicContact CD1-CZ3 4.23Å; I53-W56 HydrophobicContact CG1-CH2 4.49Å; I53-W56 HydrophobicContact CG2-CD2 4.02Å; I53-W56 HydrophobicContact CG2-CE3 4.15Å; I53-W56 HydrophobicContact CG2-CH2 3.56Å; I53-W56 HydrophobicContact CG2-CZ2 3.42Å; I53-W56 VanDerWaalsContact CG2-CZ2 3.42Å; I53-W56 HydrophobicContact CG2-CZ3 3.94Å
54D53.4Low46.8Very low25 Ų2581.3 Ų81.313%0.13446%0.455CS..EExtended strand (participates in β ladder)trans-98.6-32.5-179.6-77.7-60.7000111.1C41 I43 R52 D68 R69C41-D54 PolarHBondContact O-N 2.68Å; I43-D54 HydrophobicContact CB-CB 4.47Å; I43-D54 HydrophobicContact CD1-CB 3.8Å; I43-D54 HydrophobicContact CG1-CB 4.12Å; R52-D54 PolarHBondContact O-N 3.32Å; D54-D68 CarbonylContact O-C 3.59Å; D54-D68 WeakPolarHBondContact O-CA 3.42Å; D54-R69 PolarHBondContact O-N 2.96Å
55C54.1Low47.9Very low28 Ų2878.6 Ų78.619%0.18944%0.438CS..EExtended strand (participates in β ladder)trans-133155.9177.364.50000115C41 Y67C41-C55 WeakPolarHBondContact CB-SG 3.32Å; C41-C55 PolarHBondContact N-O 3.04Å; C55-Y67 CarbonylContact C-O 3.46Å; C55-Y67 WeakPolarHBondContact CA-O 3.41Å
56W58.6Low48.9Very low22 Ų2282 Ų828%0.08345%0.453CS..EExtended strand (participates in β ladder)trans-128.6133.7-176.6-47.283.8000108.6L9 V13 F39 A40 I53 L66 Y67L9-W56 HydrophobicContact CB-CE3 4.33Å; L9-W56 HydrophobicContact CB-CH2 3.24Å; L9-W56 HydrophobicContact CB-CZ2 3.62Å; L9-W56 HydrophobicContact CB-CZ3 3.63Å; L9-W56 HydrophobicContact CD1-CD2 4.43Å; L9-W56 HydrophobicContact CD1-CH2 4.13Å; L9-W56 HydrophobicContact CD1-CZ2 3.57Å; L9-W56 HydrophobicContact CG-CH2 4.27Å; L9-W56 HydrophobicContact CG-CZ2 4.22Å; V13-W56 HydrophobicContact CG2-CE3 4.44Å; V13-W56 HydrophobicContact CG2-CZ3 3.84Å; F39-W56 CarbonylContact O-C 3.47Å; F39-W56 VanDerWaalsContact O-CA 3.31Å; F39-W56 WeakPolarHBondContact O-CA 3.41Å; A40-W56 HydrophobicContact CB-CE3 3.8Å; A40-W56 HydrophobicContact CB-CZ3 3.68Å; I53-W56 HydrophobicContact CB-CH2 4.07Å; I53-W56 HydrophobicContact CB-CZ2 3.95Å; I53-W56 HydrophobicContact CD1-CH2 3.71Å; I53-W56 HydrophobicContact CD1-CZ2 4.43Å; I53-W56 HydrophobicContact CD1-CZ3 4.23Å; I53-W56 HydrophobicContact CG1-CH2 4.49Å; I53-W56 HydrophobicContact CG2-CD2 4.02Å; I53-W56 HydrophobicContact CG2-CE3 4.15Å; I53-W56 HydrophobicContact CG2-CH2 3.56Å; I53-W56 HydrophobicContact CG2-CZ2 3.42Å; I53-W56 VanDerWaalsContact CG2-CZ2 3.42Å; I53-W56 HydrophobicContact CG2-CZ3 3.94Å; W56-L66 CarbonylContact O-C 3.52Å; W56-L66 VanDerWaalsContact O-CA 3.28Å; W56-L66 WeakPolarHBondContact O-CA 3.18Å; W56-Y67 PolarHBondContact N-O 3.39Å; W56-Y67 PolarHBondContact O-N 3.21Å
57R56.8Low50Low74 Ų7476.2 Ų76.228%0.27942%0.419SS..EExtended strand (participates in β ladder)trans-105.6123165.6176.9-174.7-75.4-151.85.2108.1F39 E59 A64 A65 L66F39-R57 HydrophobicContact CB-CB 4.14Å; F39-R57 HydrophobicContact CD2-CB 4.36Å; F39-R57 HydrophobicContact CD2-CG 4.3Å; F39-R57 PolarHBondContact N-O 2.75Å; F39-R57 PolarHBondContact O-N 3.48Å; R57-E59 HydrophobicContact CG-CG 4.09Å; R57-E59 IonicContact NH1-OE1 2.75Å; R57-A64 HydrophobicContact CG-CB 4.09Å; R57-A65 CarbonylContact C-O 3.46Å; R57-A65 WeakPolarHBondContact CA-O 3.37Å; R57-L66 HydrophobicContact CB-CD2 3.88Å
58V55.4Low50.6Low1 Ų174.7 Ų74.71%0.00639%0.391CS..EExtended strand (participates in β ladder)trans-110.7118.4172.6-175.60000108L36 R37 L38 A65 Y67 F81L36-V58 HydrophobicContact CD1-CG1 3.77Å; L36-V58 HydrophobicContact CG-CG1 4.4Å; R37-V58 CarbonylContact O-C 3.46Å; R37-V58 WeakPolarHBondContact O-CA 3.23Å; L38-V58 HydrophobicContact CD2-CG2 4.08Å; L38-V58 HydrophobicContact CG-CG1 4.42Å; L38-V58 HydrophobicContact CG-CG2 4.11Å; V58-A65 PolarHBondContact N-O 2.8Å; V58-A65 PolarHBondContact O-N 2.87Å; V58-Y67 HydrophobicContact CB-CD2 4.46Å; V58-Y67 HydrophobicContact CB-CE2 4.02Å; V58-Y67 HydrophobicContact CG2-CD2 3.98Å; V58-Y67 HydrophobicContact CG2-CE2 3.95Å; V58-F81 HydrophobicContact CG2-CE1 4.2Å; V58-F81 HydrophobicContact CG2-CZ 3.96Å
59E51Low51.5Low42 Ų4272.9 Ų72.920%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-100.6130.1173.9-52.3-168.5129.200109.5L36 R37 F39 R57 A63 A64L36-E59 WeakPolarHBondContact CA-O 3.43Å; R37-E59 HydrophobicContact CB-CB 4.26Å; R37-E59 PolarHBondContact N-O 3.25Å; R37-E59 PolarHBondContact O-N 3.43Å; F39-E59 HydrophobicContact CD2-CG 4.35Å; F39-E59 HydrophobicContact CE2-CG 3.93Å; F39-E59 VanDerWaalsContact CE2-OE2 3.23Å; F39-E59 WeakPolarHBondContact CE2-OE2 3.37Å; R57-E59 HydrophobicContact CG-CG 4.09Å; R57-E59 IonicContact NH1-OE1 2.75Å; E59-A63 VanDerWaalsContact CA-O 3.3Å; E59-A63 WeakPolarHBondContact CA-O 3.41Å; E59-A64 HydrophobicContact CG-CB 3.86Å
60R50.4Low52.2Low104 Ų10470 Ų7039%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-141.8126.7171-165.8-177.8-178.8-178.12.5110.3D35 L36 G62 A63D35-R60 VanDerWaalsContact OD1-C 3.22Å; D35-R60 WeakPolarHBondContact OD1-CA 3.29Å; L36-R60 HydrophobicContact CD1-CB 3.82Å; L36-R60 HydrophobicContact CD1-CG 3.97Å; R60-G62 PolarHBondContact O-N 3.16Å; R60-A63 PolarHBondContact N-O 2.7Å; R60-A63 WeakPolarHBondContact O-CB 3.45Å; R60-A63 PolarHBondContact O-N 2.83Å
61N52Low52.9Low123 Ų12367.4 Ų67.466%0.65836%0.36SS*.THydrogen-bonded Turntrans48.144-174-58.5-27.4000112.1D35 A63D35-N61 VanDerWaalsContact CG-CA 3.42Å; D35-N61 WeakPolarHBondContact OD1-CA 3.35Å; D35-N61 PolarHBondContact OD1-N 3.43Å; D35-N61 WeakPolarHBondContact OD2-CA 3.4Å; D35-N61 PolarHBondContact OD2-N 2.97Å; N61-A63 PolarHBondContact O-N 3.26Å
62G53.3Low53.8Low66 Ų6663.5 Ų63.568%0.6834%0.341SS*.THydrogen-bonded Turntrans72.50-175.100000116.1D35 R60D35-G62 PolarHBondContact OD2-N 3.34Å; R60-G62 PolarHBondContact O-N 3.16Å
63A50.3Low54.3Low66 Ų6662.3 Ų62.355%0.54535%0.347SS..EExtended strand (participates in β ladder)trans-89.9109.2173.100000110.5E59 R60 N61E59-A63 VanDerWaalsContact CA-O 3.3Å; E59-A63 WeakPolarHBondContact CA-O 3.41Å; R60-A63 PolarHBondContact N-O 2.7Å; R60-A63 WeakPolarHBondContact O-CB 3.45Å; R60-A63 PolarHBondContact O-N 2.83Å; N61-A63 PolarHBondContact O-N 3.26Å
64A56.5Low54.5Low52 Ų5265.6 Ų65.643%0.4337%0.365SS..EExtended strand (participates in β ladder)trans-86.3128.3172.900000110.8R57 E59R57-A64 HydrophobicContact CG-CB 4.09Å; E59-A64 HydrophobicContact CG-CB 3.86Å
65A56.3Low54.8Low29 Ų2966 Ų6624%0.2437%0.366CS..EExtended strand (participates in β ladder)trans-122.5125.8171.300000110R57 V58 Y67R57-A65 CarbonylContact C-O 3.46Å; R57-A65 WeakPolarHBondContact CA-O 3.37Å; V58-A65 PolarHBondContact N-O 2.8Å; V58-A65 PolarHBondContact O-N 2.87Å; A65-Y67 HydrophobicContact CB-CD2 4.37Å; A65-Y67 HydrophobicContact CB-CE2 3.41Å; A65-Y67 VanDerWaalsContact CB-CE2 3.41Å; A65-Y67 WeakPolarHBondContact CB-OH 3.42Å; A65-Y67 WeakPolarHBondContact O-CD2 3.39Å; A65-Y67 WeakPolarHBondContact O-CE2 3.45Å
66L52.7Low55.2Low111 Ų11171.4 Ų71.458%0.58139%0.389SS*.EExtended strand (participates in β ladder)trans-86.2133.2172.9-74.8164.2000109.6W56 R57W56-L66 CarbonylContact O-C 3.52Å; W56-L66 VanDerWaalsContact O-CA 3.28Å; W56-L66 WeakPolarHBondContact O-CA 3.18Å; R57-L66 HydrophobicContact CB-CD2 3.88Å
67Y55.1Low55.5Low45 Ų4572.6 Ų72.618%0.17640%0.399CS..EExtended strand (participates in β ladder)trans-126.4121.3177.3-60.8-84.7000108.1C55 W56 V58 A65 T71 F81 K85C55-Y67 CarbonylContact C-O 3.46Å; C55-Y67 WeakPolarHBondContact CA-O 3.41Å; W56-Y67 PolarHBondContact N-O 3.39Å; W56-Y67 PolarHBondContact O-N 3.21Å; V58-Y67 HydrophobicContact CB-CD2 4.46Å; V58-Y67 HydrophobicContact CB-CE2 4.02Å; V58-Y67 HydrophobicContact CG2-CD2 3.98Å; V58-Y67 HydrophobicContact CG2-CE2 3.95Å; A65-Y67 HydrophobicContact CB-CD2 4.37Å; A65-Y67 HydrophobicContact CB-CE2 3.41Å; A65-Y67 VanDerWaalsContact CB-CE2 3.41Å; A65-Y67 WeakPolarHBondContact CB-OH 3.42Å; A65-Y67 WeakPolarHBondContact O-CD2 3.39Å; A65-Y67 WeakPolarHBondContact O-CE2 3.45Å; Y67-T71 HydrophobicContact CD1-CG2 3.96Å; Y67-F81 HydrophobicContact CD1-CE2 4.11Å; Y67-F81 HydrophobicContact CD1-CZ 4.46Å; Y67-F81 HydrophobicContact CD2-CE2 4.36Å; Y67-F81 AromaticContact CD2-CZ 3.98Å; Y67-F81 HydrophobicContact CD2-CZ 3.98Å; Y67-F81 HydrophobicContact CE1-CD2 4.24Å; Y67-F81 AromaticContact CE1-CE2 3.49Å; Y67-F81 HydrophobicContact CE1-CE2 3.49Å; Y67-F81 VanDerWaalsContact CE1-CE2 3.49Å; Y67-F81 HydrophobicContact CE1-CZ 4.1Å; Y67-F81 AromaticContact CE2-CE2 3.75Å; Y67-F81 HydrophobicContact CE2-CE2 3.75Å; Y67-F81 AromaticContact CE2-CZ 3.54Å; Y67-F81 HydrophobicContact CE2-CZ 3.54Å; Y67-F81 HydrophobicContact CG-CZ 4.42Å; Y67-F81 AromaticContact CZ-CE2 3.29Å; Y67-F81 AromaticContact CZ-CZ 3.62Å; Y67-F81 WeakPolarHBondContact OH-CE2 3.34Å; Y67-K85 PolarHBondContact OH-NZ 2.78Å
68D54.1Low55.9Low52 Ų5269.2 Ų69.228%0.27839%0.387SS..EExtended strand (participates in β ladder)trans-86.8162.4171.3178.442.9000109.9D54 Q70 T71D54-D68 CarbonylContact O-C 3.59Å; D54-D68 WeakPolarHBondContact O-CA 3.42Å; D68-Q70 PolarHBondContact O-N 3.13Å; D68-Q70 VanDerWaalsContact O-N 3.17Å; D68-Q70 WeakPolarHBondContact OD2-CB 3.45Å; D68-Q70 WeakPolarHBondContact OD2-CG 3.39Å; D68-Q70 PolarHBondContact OD2-N 2.89Å; D68-Q70 VanDerWaalsContact OD2-N 3.1Å; D68-T71 PolarHBondContact N-OG1 2.91Å; D68-T71 WeakPolarHBondContact O-CA 3.19Å; D68-T71 VanDerWaalsContact O-CB 3.29Å; D68-T71 WeakPolarHBondContact O-CB 3.32Å; D68-T71 PolarHBondContact O-N 2.82Å; D68-T71 PolarHBondContact O-OG1 3.3Å
69R50.7Low56.3Low84 Ų8469.5 Ų69.532%0.31739%0.388SS..THydrogen-bonded Turntrans-55.2-27.9170.2-174175.5177.7150.93.2112.2R52 D54 T71 V72R52-R69 VanDerWaalsContact CZ-NH1 3.33Å; D54-R69 PolarHBondContact O-N 2.96Å; R69-T71 VanDerWaalsContact C-N 3.3Å; R69-V72 CarbonylContact O-C 3.54Å
70Q53.9Low57.1Low168 Ų16873 Ų7379%0.78541%0.405SS*.THydrogen-bonded Turntrans-68.6-27.7172.3-65.6177.620.500113.2D68D68-Q70 PolarHBondContact O-N 3.13Å; D68-Q70 VanDerWaalsContact O-N 3.17Å; D68-Q70 WeakPolarHBondContact OD2-CB 3.45Å; D68-Q70 WeakPolarHBondContact OD2-CG 3.39Å; D68-Q70 PolarHBondContact OD2-N 2.89Å; D68-Q70 VanDerWaalsContact OD2-N 3.1Å
71T58Low57.8Low76 Ų7670 Ų7047%0.46639%0.394SS..THydrogen-bonded Turntrans-76.5-25.8-178.5-430000112.4Y67 D68 R69 P73Y67-T71 HydrophobicContact CD1-CG2 3.96Å; D68-T71 PolarHBondContact N-OG1 2.91Å; D68-T71 WeakPolarHBondContact O-CA 3.19Å; D68-T71 VanDerWaalsContact O-CB 3.29Å; D68-T71 WeakPolarHBondContact O-CB 3.32Å; D68-T71 PolarHBondContact O-N 2.82Å; D68-T71 PolarHBondContact O-OG1 3.3Å; R69-T71 VanDerWaalsContact C-N 3.3Å; T71-P73 WeakPolarHBondContact O-CD 3.34Å
72V57.9Low58.6Low23 Ų2364.2 Ų64.214%0.13936%0.363CS..SBendtrans-125.173177.8-1700000109.2R69 N74 T77 A78R69-V72 CarbonylContact O-C 3.54Å; V72-N74 VanDerWaalsContact C-N 3.3Å; V72-N74 PolarHBondContact O-N 3.4Å; V72-T77 HydrophobicContact CG1-CG2 4.23Å; V72-A78 HydrophobicContact CG1-CB 3.5Å; V72-A78 VanDerWaalsContact CG1-N 3.29Å
73P57.5Low59.4Low86 Ų8663.2 Ų63.256%0.55834%0.339SS*.  trans-71.7-29.2-171.329.4-35.8000112.1T71T71-P73 WeakPolarHBondContact O-CD 3.34Å
74N57Low60.2Low100 Ų10063 Ų6354%0.53534%0.343SS..SBendtrans-128.3152.4-166.7-57.11.1000110.6V72 E76 T77 A78V72-N74 VanDerWaalsContact C-N 3.3Å; V72-N74 PolarHBondContact O-N 3.4Å; N74-E76 PolarHBondContact O-N 3.4Å; N74-T77 WeakPolarHBondContact O-CB 3.21Å; N74-T77 PolarHBondContact O-N 2.84Å; N74-A78 PolarHBondContact O-N 3.28Å
75E59.5Low60.8Low34 Ų3462.6 Ų62.616%0.15933%0.332CS..Hα-helixtrans-57.8-37176.5-175.5172.2168.800112.7C4 V5 T77 A78 L79 M108C4-E75 WeakPolarHBondContact CB-OE2 3.15Å; V5-E75 VanDerWaalsContact CG2-CA 3.45Å; V5-E75 HydrophobicContact CG2-CB 3.63Å; V5-E75 HydrophobicContact CG2-CG 3.92Å; E75-T77 VanDerWaalsContact C-N 3.32Å; E75-T77 PolarHBondContact O-N 3.44Å; E75-A78 WeakPolarHBondContact O-CB 3.31Å; E75-A78 PolarHBondContact O-N 2.77Å; E75-A78 VanDerWaalsContact O-N 3.17Å; E75-L79 HydrophobicContact CG-CD1 4.13Å; E75-L79 HydrophobicContact CG-CG 4.25Å; E75-L79 WeakPolarHBondContact O-CB 3.23Å; E75-L79 VanDerWaalsContact O-CG 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.35Å; E75-L79 PolarHBondContact O-N 2.86Å; E75-M108 WeakPolarHBondContact OE1-CE 3.44Å; E75-M108 WeakPolarHBondContact OE1-CG 3.2Å; E75-M108 WeakPolarHBondContact OE2-CE 3.23Å
76E61.4Low61.2Low141 Ų14164.1 Ų64.166%0.65935%0.35SS*.Hα-helixtrans-60.7-41175.8-171.5172.886.800112.2N74 L79 Q80N74-E76 PolarHBondContact O-N 3.4Å; E76-L79 PolarHBondContact O-N 2.77Å; E76-Q80 WeakPolarHBondContact O-CB 3.13Å; E76-Q80 WeakPolarHBondContact O-CG 3.34Å; E76-Q80 PolarHBondContact O-N 3.42Å
77T65.6Low61.7Low48 Ų4860.3 Ų60.329%0.29433%0.33SS..Hα-helixtrans-66.1-40.5175.2-44.90000110.9V72 N74 E75 L79 Q80 F81V72-T77 HydrophobicContact CG1-CG2 4.23Å; N74-T77 WeakPolarHBondContact O-CB 3.21Å; N74-T77 PolarHBondContact O-N 2.84Å; E75-T77 VanDerWaalsContact C-N 3.32Å; E75-T77 PolarHBondContact O-N 3.44Å; T77-L79 VanDerWaalsContact C-N 3.35Å; T77-Q80 PolarHBondContact O-N 2.91Å; T77-F81 VanDerWaalsContact O-CB 3.23Å; T77-F81 WeakPolarHBondContact O-CB 3.45Å; T77-F81 PolarHBondContact O-N 3.46Å
78A64.8Low62.3Low3 Ų358.4 Ų58.43%0.02532%0.323CS..Hα-helixtrans-63.1-43.6176.200000111.1V5 V72 N74 E75 F81 L82V5-A78 HydrophobicContact CG1-CB 3.77Å; V5-A78 HydrophobicContact CG2-CB 4.18Å; V72-A78 HydrophobicContact CG1-CB 3.5Å; V72-A78 VanDerWaalsContact CG1-N 3.29Å; N74-A78 PolarHBondContact O-N 3.28Å; E75-A78 WeakPolarHBondContact O-CB 3.31Å; E75-A78 PolarHBondContact O-N 2.77Å; E75-A78 VanDerWaalsContact O-N 3.17Å; A78-F81 WeakPolarHBondContact O-CB 3.2Å; A78-F81 PolarHBondContact O-N 3.14Å; A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 3.14Å
79L64.9Low63Low6 Ų659.6 Ų59.63%0.03133%0.327CS..Hα-helixtrans-65.5-45.1177.5-72.6177.2000111.9M8 E75 E76 T77 F81 L82 R83 L88 G107 I123M8-L79 HydrophobicContact CE-CD2 3.71Å; E75-L79 HydrophobicContact CG-CD1 4.13Å; E75-L79 HydrophobicContact CG-CG 4.25Å; E75-L79 WeakPolarHBondContact O-CB 3.23Å; E75-L79 VanDerWaalsContact O-CG 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.35Å; E75-L79 PolarHBondContact O-N 2.86Å; E76-L79 PolarHBondContact O-N 2.77Å; T77-L79 VanDerWaalsContact C-N 3.35Å; L79-F81 VanDerWaalsContact C-N 3.28Å; L79-F81 PolarHBondContact O-N 3Å; L79-L82 PolarHBondContact O-N 3.36Å; L79-R83 WeakPolarHBondContact O-CB 3.47Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 3.04Å; L79-L88 HydrophobicContact CD2-CD1 3.41Å; L79-L88 VanDerWaalsContact CD2-CD1 3.41Å; L79-G107 WeakPolarHBondContact CD1-O 3.45Å; L79-I123 HydrophobicContact CD2-CD1 3.7Å
80Q67.3Low63.8Low117 Ų11758.7 Ų58.755%0.54733%0.333SS..Hα-helixtrans-60.3-40.6173.9-76.9-176.91600111.4E76 T77 R83 G84E76-Q80 WeakPolarHBondContact O-CB 3.13Å; E76-Q80 WeakPolarHBondContact O-CG 3.34Å; E76-Q80 PolarHBondContact O-N 3.42Å; T77-Q80 PolarHBondContact O-N 2.91Å; Q80-R83 PolarHBondContact O-N 3.12Å; Q80-G84 PolarHBondContact O-N 3.3Å
81F65.8Low64.6Low40 Ų4057 Ų5718%0.17533%0.329CS..Hα-helixtrans-63.1-51.8176.4178.7-100.6000111.8V58 Y67 T77 A78 L79 R83 G84 K85V58-F81 HydrophobicContact CG2-CE1 4.2Å; V58-F81 HydrophobicContact CG2-CZ 3.96Å; Y67-F81 HydrophobicContact CD1-CE2 4.11Å; Y67-F81 HydrophobicContact CD1-CZ 4.46Å; Y67-F81 HydrophobicContact CD2-CE2 4.36Å; Y67-F81 AromaticContact CD2-CZ 3.98Å; Y67-F81 HydrophobicContact CD2-CZ 3.98Å; Y67-F81 HydrophobicContact CE1-CD2 4.24Å; Y67-F81 AromaticContact CE1-CE2 3.49Å; Y67-F81 HydrophobicContact CE1-CE2 3.49Å; Y67-F81 VanDerWaalsContact CE1-CE2 3.49Å; Y67-F81 HydrophobicContact CE1-CZ 4.1Å; Y67-F81 AromaticContact CE2-CE2 3.75Å; Y67-F81 HydrophobicContact CE2-CE2 3.75Å; Y67-F81 AromaticContact CE2-CZ 3.54Å; Y67-F81 HydrophobicContact CE2-CZ 3.54Å; Y67-F81 HydrophobicContact CG-CZ 4.42Å; Y67-F81 AromaticContact CZ-CE2 3.29Å; Y67-F81 AromaticContact CZ-CZ 3.62Å; Y67-F81 WeakPolarHBondContact OH-CE2 3.34Å; T77-F81 VanDerWaalsContact O-CB 3.23Å; T77-F81 WeakPolarHBondContact O-CB 3.45Å; T77-F81 PolarHBondContact O-N 3.46Å; A78-F81 WeakPolarHBondContact O-CB 3.2Å; A78-F81 PolarHBondContact O-N 3.14Å; L79-F81 VanDerWaalsContact C-N 3.28Å; L79-F81 PolarHBondContact O-N 3Å; F81-R83 PolarHBondContact O-N 3.26Å; F81-G84 PolarHBondContact O-N 3.41Å; F81-G84 VanDerWaalsContact O-N 3.13Å; F81-K85 HydrophobicContact CD1-CG 4.4Å; F81-K85 HydrophobicContact CD2-CG 4.49Å; F81-K85 HydrophobicContact CE1-CG 3.99Å; F81-K85 HydrophobicContact CE2-CD 4.38Å; F81-K85 HydrophobicContact CE2-CG 4.07Å; F81-K85 HydrophobicContact CZ-CD 4.24Å; F81-K85 HydrophobicContact CZ-CG 3.83Å; F81-K85 WeakPolarHBondContact O-CG 3.3Å; F81-K85 PolarHBondContact O-N 3.06Å
82L69.1Low65.5Low1 Ų154.9 Ų54.91%0.00531%0.313CS..Hα-helixtrans-59.7-36.5177.7-69.4173.3000111.4M8 A78 L79 G86 L87 L88M8-L82 HydrophobicContact CE-CD1 4.48Å; A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 3.14Å; L79-L82 PolarHBondContact O-N 3.36Å; L82-G86 PolarHBondContact O-N 2.83Å; L82-L87 HydrophobicContact CB-CB 4.31Å; L82-L87 HydrophobicContact CD2-CB 4.12Å; L82-L87 HydrophobicContact CD2-CD1 3.56Å; L82-L87 WeakPolarHBondContact O-CB 3.31Å; L82-L87 PolarHBondContact O-N 3.42Å; L82-L88 HydrophobicContact CB-CB 4.33Å; L82-L88 HydrophobicContact CB-CD1 3.69Å; L82-L88 HydrophobicContact CB-CG 3.84Å; L82-L88 HydrophobicContact CD1-CD1 3.7Å; L82-L88 HydrophobicContact CD1-CG 4.29Å; L82-L88 HydrophobicContact CG-CD1 4.36Å; L82-L88 PolarHBondContact O-N 3.21Å
83R70Confident66.7Low46 Ų4659.1 Ų59.117%0.17433%0.334CS..Hα-helixtrans-66.5-46.8172.3-76.5174174.6172.65.7113L79 Q80 F81 K85 G86 L88 H89L79-R83 WeakPolarHBondContact O-CB 3.47Å; L79-R83 WeakPolarHBondContact O-CG 3.36Å; L79-R83 PolarHBondContact O-N 3.04Å; Q80-R83 PolarHBondContact O-N 3.12Å; F81-R83 PolarHBondContact O-N 3.26Å; R83-K85 PolarHBondContact O-N 3.25Å; R83-G86 PolarHBondContact O-N 2.79Å; R83-L88 HydrophobicContact CG-CB 3.98Å; R83-H89 PolarHBondContact NE-O 3.26Å
84G67Low67.9Low61 Ų6155.1 Ų55.163%0.62931%0.308SS*.Hα-helixtrans-61.9-29.2177.500000112.8Q80 F81Q80-G84 PolarHBondContact O-N 3.3Å; F81-G84 PolarHBondContact O-N 3.41Å; F81-G84 VanDerWaalsContact O-N 3.13Å
85K67.2Low69Low44 Ų4456.9 Ų56.919%0.19132%0.317CS..THydrogen-bonded Turntrans-83.9-8.9173.4-63.5-65.5-177172.80113.8Y67 F81 R83 L87Y67-K85 PolarHBondContact OH-NZ 2.78Å; F81-K85 HydrophobicContact CD1-CG 4.4Å; F81-K85 HydrophobicContact CD2-CG 4.49Å; F81-K85 HydrophobicContact CE1-CG 3.99Å; F81-K85 HydrophobicContact CE2-CD 4.38Å; F81-K85 HydrophobicContact CE2-CG 4.07Å; F81-K85 HydrophobicContact CZ-CD 4.24Å; F81-K85 HydrophobicContact CZ-CG 3.83Å; F81-K85 WeakPolarHBondContact O-CG 3.3Å; F81-K85 PolarHBondContact O-N 3.06Å; R83-K85 PolarHBondContact O-N 3.25Å; K85-L87 VanDerWaalsContact C-N 3.35Å; K85-L87 HydrophobicContact CB-CD1 4.43Å; K85-L87 HydrophobicContact CB-CG 4.39Å
86G64.8Low70.1Confident60 Ų6058.5 Ų58.562%0.61933%0.332SS*.THydrogen-bonded Turntrans80.711.6-178.500000114.5L82 R83L82-G86 PolarHBondContact O-N 2.83Å; R83-G86 PolarHBondContact O-N 2.79Å
87L64.3Low71.3Confident32 Ų3253.3 Ų53.317%0.16831%0.311CS..SBendtrans-79.9-28178.5-71.6175000112.8L36 L38 L82 K85 F129L36-L87 HydrophobicContact CD2-CD1 3.8Å; L36-L87 HydrophobicContact CD2-CD2 3.61Å; L36-L87 HydrophobicContact CD2-CG 3.8Å; L38-L87 HydrophobicContact CD1-CD1 4.3Å; L82-L87 HydrophobicContact CB-CB 4.31Å; L82-L87 HydrophobicContact CD2-CB 4.12Å; L82-L87 HydrophobicContact CD2-CD1 3.56Å; L82-L87 WeakPolarHBondContact O-CB 3.31Å; L82-L87 PolarHBondContact O-N 3.42Å; K85-L87 VanDerWaalsContact C-N 3.35Å; K85-L87 HydrophobicContact CB-CD1 4.43Å; K85-L87 HydrophobicContact CB-CG 4.39Å; L87-F129 HydrophobicContact CB-CE2 4.21Å
88L67Low72.3Confident4 Ų453.2 Ų53.22%0.02132%0.32CS..SBendtrans-120.7144.4170.9-66.3177.1000109.2L79 L82 R83 S90 I123 T127 F129L79-L88 HydrophobicContact CD2-CD1 3.41Å; L79-L88 VanDerWaalsContact CD2-CD1 3.41Å; L82-L88 HydrophobicContact CB-CB 4.33Å; L82-L88 HydrophobicContact CB-CD1 3.69Å; L82-L88 HydrophobicContact CB-CG 3.84Å; L82-L88 HydrophobicContact CD1-CD1 3.7Å; L82-L88 HydrophobicContact CD1-CG 4.29Å; L82-L88 HydrophobicContact CG-CD1 4.36Å; L82-L88 PolarHBondContact O-N 3.21Å; R83-L88 HydrophobicContact CG-CB 3.98Å; L88-S90 PolarHBondContact O-N 3Å; L88-I123 HydrophobicContact CB-CG1 4.48Å; L88-I123 HydrophobicContact CD1-CD1 3.84Å; L88-I123 HydrophobicContact CD1-CG1 4.13Å; L88-I123 HydrophobicContact CD2-CG1 4.24Å; L88-T127 HydrophobicContact CD2-CG2 4.08Å; L88-F129 HydrophobicContact CD2-CD2 3.72Å; L88-F129 HydrophobicContact CD2-CE2 4.03Å
89H68.5Low73.3Confident78 Ų7858 Ų5836%0.36134%0.341SS..  trans-58.8131.3173.6-64.792.3000109.8R83 W110 G126 T127R83-H89 PolarHBondContact NE-O 3.26Å; H89-W110 HydrophobicContact CB-CZ2 4.46Å; H89-W110 VanDerWaalsContact O-CZ2 3.31Å; H89-W110 WeakPolarHBondContact O-CZ2 3.33Å; H89-G126 PolarHBondContact CE1-O 3.46Å; H89-T127 WeakPolarHBondContact ND1-CG2 2.91Å
90S68Low74.2Confident64 Ų6460.9 Ų60.945%0.44837%0.366SS..SBendtrans-80.1-32.4172.2-56.30000111.6L88 W110L88-S90 PolarHBondContact O-N 3Å; S90-W110 WeakPolarHBondContact O-CH2 3.26Å
91D71.5Confident75Confident133 Ų13355.6 Ų55.671%0.71134%0.341SS*.SBendtrans-140.1145.4176.9-74.5-63.2000109.4
92R76.8Confident75.7Confident32 Ų3262 Ų6212%0.12136%0.364CS..EExtended strand (participates in β ladder)trans-140.3138.9-179.9-164.9170-170.9-156.73.2112.2M101 W110 L121 K125R92-M101 HydrophobicContact CG-SD 4.5Å; R92-M101 WeakPolarHBondContact O-CB 3.34Å; R92-M101 PolarHBondContact O-N 3.38Å; R92-W110 HydrophobicContact CB-CD2 3.89Å; R92-W110 HydrophobicContact CB-CE3 4.12Å; R92-W110 HydrophobicContact CB-CG 4.32Å; R92-W110 HydrophobicContact CB-CZ2 4.36Å; R92-W110 HydrophobicContact CB-CZ3 4.43Å; R92-L121 VanDerWaalsContact NH1-CB 3.3Å; R92-K125 PolarHBondContact NH1-O 3.35Å; R92-K125 PolarHBondContact NH2-O 3Å; R92-K125 VanDerWaalsContact NH2-O 3.12Å
93L82.3Confident76Confident112 Ų11264.8 Ų64.859%0.58638%0.379SS*.EExtended strand (participates in β ladder)trans-91.1141.9170-58.8-179.7000110.5L95 A100L93-L95 PolarHBondContact O-N 3.32Å; L93-A100 HydrophobicContact CD2-CB 4.47Å
94C82.2Confident76Confident2 Ų263.5 Ų63.51%0.01438%0.38CS..  trans-68.6119.1173.91790000109.6S96 C97 G98 Q99 M101 C112 C117C94-S96 PolarHBondContact O-N 2.86Å; C94-C97 PolarHBondContact O-N 3.44Å; C94-C97 VanDerWaalsContact SG-SG 3.65Å; C94-G98 WeakPolarHBondContact O-CA 3.39Å; C94-G98 PolarHBondContact O-N 3.37Å; C94-Q99 WeakPolarHBondContact CB-O 3.36Å; C94-Q99 PolarHBondContact N-O 2.86Å; C94-M101 HydrophobicContact CB-CG 3.82Å; C94-M101 HydrophobicContact CB-SD 4.04Å; C94-C112 HydrophobicContact CB-CB 4.14Å; C94-C117 PolarHBondContact SG-SG 2.75Å
95L81.5Confident75.6Confident136 Ų13667.3 Ų67.371%0.71240%0.395SS*.THydrogen-bonded Turntrans-56.9-19.8178.6-65.4170.8000113.7L93L93-L95 PolarHBondContact O-N 3.32Å
96S82.9Confident75.3Confident69 Ų6967.9 Ų67.948%0.48341%0.414SS..THydrogen-bonded Turntrans-99.9-20.7-176.2-55.30000115.1C94 K119C94-S96 PolarHBondContact O-N 2.86Å; S96-K119 VanDerWaalsContact OG-CD 3.31Å; S96-K119 WeakPolarHBondContact OG-CD 3.42Å; S96-K119 WeakPolarHBondContact OG-CE 3.25Å; S96-K119 PolarHBondContact OG-NZ 2.97Å
97C86.9Confident75.3Confident32 Ų3265.5 Ų65.522%0.21639%0.389CS..THydrogen-bonded Turntrans-137.71.7-179.8660000114.7C94 Q99 C112 K114C94-C97 PolarHBondContact O-N 3.44Å; C94-C97 VanDerWaalsContact SG-SG 3.65Å; C97-Q99 HydrophobicContact CB-CG 4.49Å; C97-Q99 PolarHBondContact O-N 2.82Å; C97-Q99 VanDerWaalsContact O-N 3.08Å; C97-C112 PolarHBondContact SG-SG 2.87Å; C97-K114 HydrophobicContact CB-CD 3.87Å
98G86.1Confident75.4Confident46 Ų4667.9 Ų67.947%0.47440%0.4SS..  trans67.13.4-179.400000114.9C94C94-G98 WeakPolarHBondContact O-CA 3.39Å; C94-G98 PolarHBondContact O-N 3.37Å
99Q84.8Confident75.8Confident104 Ų10469.9 Ų69.949%0.48641%0.413SS..PPolyproline II helixtrans-80.7146-179-65.6-62.2-67.800111.7C94 C97 M101 K114C94-Q99 WeakPolarHBondContact CB-O 3.36Å; C94-Q99 PolarHBondContact N-O 2.86Å; C97-Q99 HydrophobicContact CB-CG 4.49Å; C97-Q99 PolarHBondContact O-N 2.82Å; C97-Q99 VanDerWaalsContact O-N 3.08Å; Q99-M101 PolarHBondContact O-N 3.04Å; Q99-K114 HydrophobicContact CG-CB 4.44Å; Q99-K114 HydrophobicContact CG-CD 4.24Å
100A83.5Confident76.4Confident66 Ų6666.4 Ų66.455%0.54540%0.397SS..EExtended strand (participates in β ladder)trans-56.2127.8172.100000110.6L93L93-A100 HydrophobicContact CD2-CB 4.47Å
101M84.8Confident77.1Confident5 Ų569.5 Ų69.53%0.02540%0.399CS..EExtended strand (participates in β ladder)trans-88.1144.7174-59.7-175.579.200108.8R92 C94 Q99 W110 R111 C112 K119 L121R92-M101 HydrophobicContact CG-SD 4.5Å; R92-M101 WeakPolarHBondContact O-CB 3.34Å; R92-M101 PolarHBondContact O-N 3.38Å; C94-M101 HydrophobicContact CB-CG 3.82Å; C94-M101 HydrophobicContact CB-SD 4.04Å; Q99-M101 PolarHBondContact O-N 3.04Å; M101-W110 HydrophobicContact CB-CB 4.06Å; M101-W110 HydrophobicContact CB-CD2 4.45Å; M101-W110 HydrophobicContact CB-CE3 3.79Å; M101-W110 VanDerWaalsContact CE-C 3.49Å; M101-W110 HydrophobicContact CE-CB 3.65Å; M101-W110 WeakPolarHBondContact CE-O 3.41Å; M101-W110 WeakPolarHBondContact O-CZ3 3.42Å; M101-W110 HydrophobicContact SD-CB 3.94Å; M101-R111 WeakPolarHBondContact CA-O 3.35Å; M101-C112 HydrophobicContact CE-CB 4.22Å; M101-C112 HydrophobicContact CG-CB 4.4Å; M101-K119 WeakPolarHBondContact CE-O 3.47Å; M101-L121 HydrophobicContact CE-CB 4.27Å; M101-L121 HydrophobicContact CE-CD1 3.84Å; M101-L121 HydrophobicContact CE-CG 3.91Å; M101-L121 HydrophobicContact SD-CD1 3.62Å; M101-L121 HydrophobicContact SD-CG 4.34Å
102R80Confident77.8Confident175 Ų17563.3 Ų63.366%0.6637%0.365SS*.EExtended strand (participates in β ladder)trans-102.6150.2171.2-71.6-173.8177.2-179-1.5109.4G104 R111R102-G104 PolarHBondContact O-N 3.09Å; R102-R111 PolarHBondContact N-O 3.17Å; R102-R111 PolarHBondContact O-N 2.81Å
103L75.9Confident78.1Confident59 Ų5968.2 Ų68.231%0.30939%0.389SS..EExtended strand (participates in β ladder)trans-70.4127.1171.8-156.367.1000109.6G107 T109 W110 I123L103-G107 WeakPolarHBondContact CD1-O 3.28Å; L103-G107 VanDerWaalsContact CD2-CA 3.41Å; L103-T109 CarbonylContact C-O 3.58Å; L103-W110 HydrophobicContact CD1-CD2 4.21Å; L103-W110 HydrophobicContact CD1-CE3 4.42Å; L103-W110 HydrophobicContact CD1-CH2 4.47Å; L103-W110 HydrophobicContact CD1-CZ2 4.26Å; L103-I123 HydrophobicContact CD1-CD1 4.12Å
104G69.6Low78.2Confident19 Ų1967.4 Ų67.420%0.19638%0.381CS..PPolyproline II helixtrans-69.9168.5174.600000112R102 G106 G107 T109R102-G104 PolarHBondContact O-N 3.09Å; G104-G106 PolarHBondContact O-N 3.06Å; G104-G107 PolarHBondContact O-N 2.74Å; G104-T109 PolarHBondContact N-O 2.81Å
105C58.8Low78.2Confident141 Ų14178.1 Ų78.195%0.95342%0.422SS*.THydrogen-bonded Turntrans-56.5128.6175.1-64.20000110.3
106G61.4Low78.3Confident57 Ų5776.5 Ų76.559%0.58842%0.421SS*.THydrogen-bonded Turntrans93.1-3.4-17700000114.8G104 M108G104-G106 PolarHBondContact O-N 3.06Å; G106-M108 WeakPolarHBondContact O-CG 3.45Å; G106-M108 PolarHBondContact O-N 3.06Å; G106-M108 VanDerWaalsContact O-N 3.09Å
107G65.2Low78.4Confident10 Ų1074.5 Ų74.510%0.10341%0.407CS..SBendtrans76.4-2.6169.200000116.1L79 L103 G104 I123L79-G107 WeakPolarHBondContact CD1-O 3.45Å; L103-G107 WeakPolarHBondContact CD1-O 3.28Å; L103-G107 VanDerWaalsContact CD2-CA 3.41Å; G104-G107 PolarHBondContact O-N 2.74Å; G107-I123 VanDerWaalsContact O-CD1 3.23Å; G107-I123 WeakPolarHBondContact O-CD1 3.21Å
108M66.3Low78.1Confident81 Ų8179.6 Ų79.640%0.39943%0.428SS..SBendtrans-94.1-15.5-171.4-64.3175.7-17300114.1C4 E75 G106 I123C4-M108 HydrophobicContact CB-CE 3.96Å; C4-M108 VanDerWaalsContact SG-CE 3.55Å; E75-M108 WeakPolarHBondContact OE1-CE 3.44Å; E75-M108 WeakPolarHBondContact OE1-CG 3.2Å; E75-M108 WeakPolarHBondContact OE2-CE 3.23Å; G106-M108 WeakPolarHBondContact O-CG 3.45Å; G106-M108 PolarHBondContact O-N 3.06Å; G106-M108 VanDerWaalsContact O-N 3.09Å; M108-I123 PolarHBondContact O-N 2.86Å
109T74.7Confident77.9Confident46 Ų4682.4 Ų82.428%0.28243%0.427SS..EExtended strand (participates in β ladder)trans-131.6133.1-174.855.80000111.7L103 G104 L121L103-T109 CarbonylContact C-O 3.58Å; G104-T109 PolarHBondContact N-O 2.81Å; T109-L121 CarbonylContact C-O 3.59Å; T109-L121 WeakPolarHBondContact CA-O 3.27Å
110W80.9Confident77.8Confident5 Ų582.1 Ų82.12%0.01943%0.425CS..EExtended strand (participates in β ladder)trans-80.2124.4162.8-69.8103.3000108.9H89 S90 R92 M101 L103 E120 L121H89-W110 HydrophobicContact CB-CZ2 4.46Å; H89-W110 VanDerWaalsContact O-CZ2 3.31Å; H89-W110 WeakPolarHBondContact O-CZ2 3.33Å; S90-W110 WeakPolarHBondContact O-CH2 3.26Å; R92-W110 HydrophobicContact CB-CD2 3.89Å; R92-W110 HydrophobicContact CB-CE3 4.12Å; R92-W110 HydrophobicContact CB-CG 4.32Å; R92-W110 HydrophobicContact CB-CZ2 4.36Å; R92-W110 HydrophobicContact CB-CZ3 4.43Å; M101-W110 HydrophobicContact CB-CB 4.06Å; M101-W110 HydrophobicContact CB-CD2 4.45Å; M101-W110 HydrophobicContact CB-CE3 3.79Å; M101-W110 VanDerWaalsContact CE-C 3.49Å; M101-W110 HydrophobicContact CE-CB 3.65Å; M101-W110 WeakPolarHBondContact CE-O 3.41Å; M101-W110 WeakPolarHBondContact O-CZ3 3.42Å; M101-W110 HydrophobicContact SD-CB 3.94Å; L103-W110 HydrophobicContact CD1-CD2 4.21Å; L103-W110 HydrophobicContact CD1-CE3 4.42Å; L103-W110 HydrophobicContact CD1-CH2 4.47Å; L103-W110 HydrophobicContact CD1-CZ2 4.26Å; W110-E120 CarbonylContact O-C 3.53Å; W110-E120 WeakPolarHBondContact O-CA 3.24Å; W110-L121 HydrophobicContact CB-CB 4.26Å; W110-L121 PolarHBondContact N-O 2.98Å; W110-L121 PolarHBondContact O-N 2.9Å
111R83.5Confident77.4Confident130 Ų13080.1 Ų80.149%0.49141%0.405SS..EExtended strand (participates in β ladder)trans-115.5129174.9-177.6175.9-81.2-171.4-12.2110.3M101 R102 H113 E120M101-R111 WeakPolarHBondContact CA-O 3.35Å; R102-R111 PolarHBondContact N-O 3.17Å; R102-R111 PolarHBondContact O-N 2.81Å; R111-H113 PolarHBondContact O-N 3.3Å; R111-E120 HydrophobicContact CB-CG 4.36Å; R111-E120 HydrophobicContact CG-CG 4.16Å; R111-E120 IonicContact CZ-OE1 3.19Å; R111-E120 IonicContact CZ-OE2 3.17Å; R111-E120 VanDerWaalsContact NE-CD 3.35Å; R111-E120 IonicContact NE-OE1 2.88Å; R111-E120 PolarHBondContact NE-OE1 3.1Å; R111-E120 IonicContact NE-OE2 2.81Å; R111-E120 IonicContact NH2-OE1 2.73Å; R111-E120 PolarHBondContact NH2-OE1 2.91Å; R111-E120 IonicContact NH2-OE2 2.81Å; R111-E120 PolarHBondContact NH2-OE2 3.44Å
112C85.5Confident76.8Confident2 Ų282.2 Ų82.21%0.01442%0.421CS..EExtended strand (participates in β ladder)trans-73.6123.9172.3-174.30000110C94 C97 M101 K114 C117 K119C94-C112 HydrophobicContact CB-CB 4.14Å; C97-C112 PolarHBondContact SG-SG 2.87Å; M101-C112 HydrophobicContact CE-CB 4.22Å; M101-C112 HydrophobicContact CG-CB 4.4Å; C112-K114 VanDerWaalsContact C-N 3.28Å; C112-K114 PolarHBondContact O-N 2.82Å; C112-C117 HydrophobicContact CB-CB 4.42Å; C112-K119 PolarHBondContact N-O 3.04Å
113H83.3Confident76.3Confident135 Ų13574.1 Ų74.163%0.62539%0.39SS*.  trans-77.5-12-179.2-171.8-94.2000113.4R111 R115R111-H113 PolarHBondContact O-N 3.3Å; H113-R115 PolarHBondContact O-N 3.31Å; H113-R115 VanDerWaalsContact O-N 3.11Å
114K84.2Confident75.9Confident96 Ų9674.2 Ų74.242%0.41739%0.387SS..  trans-64.7115.6176.5-170.3177.8-172.8177.30108.8C97 Q99 C112 S116 C117 Q118C97-K114 HydrophobicContact CB-CD 3.87Å; Q99-K114 HydrophobicContact CG-CB 4.44Å; Q99-K114 HydrophobicContact CG-CD 4.24Å; C112-K114 VanDerWaalsContact C-N 3.28Å; C112-K114 PolarHBondContact O-N 2.82Å; K114-S116 WeakPolarHBondContact CE-OG 3.36Å; K114-S116 PolarHBondContact O-N 2.94Å; K114-S116 VanDerWaalsContact O-N 3.09Å; K114-C117 HydrophobicContact CB-CB 4.02Å; K114-C117 HydrophobicContact CD-CB 4.42Å; K114-C117 HydrophobicContact CG-CB 4.43Å; K114-C117 PolarHBondContact O-N 3.04Å; K114-Q118 PolarHBondContact O-N 2.95Å
115R82.2Confident75.9Confident227 Ų22777.6 Ų77.686%0.85740%0.396SS*.THydrogen-bonded Turntrans-53-32.4-177.2-70.2-169.6-176.7-165.52.1113.6H113 Q118H113-R115 PolarHBondContact O-N 3.31Å; H113-R115 VanDerWaalsContact O-N 3.11Å; R115-Q118 WeakPolarHBondContact O-CG 3.45Å
116S84.1Confident76.2Confident101 Ų10173.3 Ų73.371%0.70638%0.376SS*.THydrogen-bonded Turntrans-83.2-13.2177.8580000114.6K114K114-S116 WeakPolarHBondContact CE-OG 3.36Å; K114-S116 PolarHBondContact O-N 2.94Å; K114-S116 VanDerWaalsContact O-N 3.09Å
117C84.7Confident76.3Confident27 Ų2771.5 Ų71.518%0.18235%0.353CS..THydrogen-bonded Turntrans-102-53.3-179.3-173.70000111.9C94 C112 K114 K119C94-C117 PolarHBondContact SG-SG 2.75Å; C112-C117 HydrophobicContact CB-CB 4.42Å; K114-C117 HydrophobicContact CB-CB 4.02Å; K114-C117 HydrophobicContact CD-CB 4.42Å; K114-C117 HydrophobicContact CG-CB 4.43Å; K114-C117 PolarHBondContact O-N 3.04Å; C117-K119 PolarHBondContact O-N 3.01Å
118Q79.9Confident75.7Confident139 Ų13976.1 Ų76.165%0.6537%0.368SS*.  trans43.519.8-179-66.7-173-52.600116.2K114 R115K114-Q118 PolarHBondContact O-N 2.95Å; R115-Q118 WeakPolarHBondContact O-CG 3.45Å
119K83.3Confident75.3Confident106 Ų10672.4 Ų72.446%0.46135%0.349SS..  trans-66.9139.3-178.2-75.5-169.7179.6-170.20110.7S96 M101 C112 C117S96-K119 VanDerWaalsContact OG-CD 3.31Å; S96-K119 WeakPolarHBondContact OG-CD 3.42Å; S96-K119 WeakPolarHBondContact OG-CE 3.25Å; S96-K119 PolarHBondContact OG-NZ 2.97Å; M101-K119 WeakPolarHBondContact CE-O 3.47Å; C112-K119 PolarHBondContact N-O 3.04Å; C117-K119 PolarHBondContact O-N 3.01Å
120E81.6Confident74.8Confident97 Ų9773.6 Ų73.645%0.45335%0.354SS..EExtended strand (participates in β ladder)trans-111.5137174.1-56.4-167.791.700109.4W110 R111W110-E120 CarbonylContact O-C 3.53Å; W110-E120 WeakPolarHBondContact O-CA 3.24Å; R111-E120 HydrophobicContact CB-CG 4.36Å; R111-E120 HydrophobicContact CG-CG 4.16Å; R111-E120 IonicContact CZ-OE1 3.19Å; R111-E120 IonicContact CZ-OE2 3.17Å; R111-E120 VanDerWaalsContact NE-CD 3.35Å; R111-E120 IonicContact NE-OE1 2.88Å; R111-E120 PolarHBondContact NE-OE1 3.1Å; R111-E120 IonicContact NE-OE2 2.81Å; R111-E120 IonicContact NH2-OE1 2.73Å; R111-E120 PolarHBondContact NH2-OE1 2.91Å; R111-E120 IonicContact NH2-OE2 2.81Å; R111-E120 PolarHBondContact NH2-OE2 3.44Å
121L76.1Confident73.7Confident24 Ų2478.7 Ų78.713%0.12638%0.378CS..EExtended strand (participates in β ladder)trans-128.2139.9175.1-58.9170.5000107.2R92 M101 T109 W110 K125R92-L121 VanDerWaalsContact NH1-CB 3.3Å; M101-L121 HydrophobicContact CE-CB 4.27Å; M101-L121 HydrophobicContact CE-CD1 3.84Å; M101-L121 HydrophobicContact CE-CG 3.91Å; M101-L121 HydrophobicContact SD-CD1 3.62Å; M101-L121 HydrophobicContact SD-CG 4.34Å; T109-L121 CarbonylContact C-O 3.59Å; T109-L121 WeakPolarHBondContact CA-O 3.27Å; W110-L121 HydrophobicContact CB-CB 4.26Å; W110-L121 PolarHBondContact N-O 2.98Å; W110-L121 PolarHBondContact O-N 2.9Å; L121-K125 HydrophobicContact CB-CB 4.42Å; L121-K125 HydrophobicContact CD2-CD 3.91Å
122S72.8Confident72Confident49 Ų4977.5 Ų77.534%0.34339%0.387SS..EExtended strand (participates in β ladder)trans-61.1150.7171.763.50000109.6R124 K125S122-R124 PolarHBondContact O-N 2.95Å; S122-R124 VanDerWaalsContact O-N 3.16Å; S122-K125 WeakPolarHBondContact O-CB 3.42Å; S122-K125 PolarHBondContact O-N 3.31Å; S122-K125 WeakPolarHBondContact OG-CB 3.28Å; S122-K125 PolarHBondContact OG-N 3Å
123I67.8Low70.1Confident5 Ų580.2 Ų80.23%0.02641%0.405CS..THydrogen-bonded Turntrans-58.4-27.2174.3-168.5164.3000111.9L79 L88 L103 G107 M108 K125L79-I123 HydrophobicContact CD2-CD1 3.7Å; L88-I123 HydrophobicContact CB-CG1 4.48Å; L88-I123 HydrophobicContact CD1-CD1 3.84Å; L88-I123 HydrophobicContact CD1-CG1 4.13Å; L88-I123 HydrophobicContact CD2-CG1 4.24Å; L103-I123 HydrophobicContact CD1-CD1 4.12Å; G107-I123 VanDerWaalsContact O-CD1 3.23Å; G107-I123 WeakPolarHBondContact O-CD1 3.21Å; M108-I123 PolarHBondContact O-N 2.86Å; I123-K125 VanDerWaalsContact C-N 3.33Å
124R68.5Low68.1Low61 Ų6177.4 Ų77.423%0.2341%0.405CS..THydrogen-bonded Turntrans-74.1-21.8176.6-60.2-175.1-172.6-175.49.5113.3S122 G126 T127 F129 D130S122-R124 PolarHBondContact O-N 2.95Å; S122-R124 VanDerWaalsContact O-N 3.16Å; R124-G126 PolarHBondContact O-N 3.48Å; R124-T127 VanDerWaalsContact C-OG1 3.27Å; R124-T127 VanDerWaalsContact CA-OG1 3.32Å; R124-T127 WeakPolarHBondContact CA-OG1 3.47Å; R124-T127 WeakPolarHBondContact O-CB 3.5Å; R124-T127 PolarHBondContact O-N 3.17Å; R124-T127 PolarHBondContact O-OG1 3.25Å; R124-F129 HydrophobicContact CB-CB 3.73Å; R124-F129 WeakPolarHBondContact CB-O 3.4Å; R124-F129 WeakPolarHBondContact CD-O 3.29Å; R124-F129 HydrophobicContact CG-CB 3.6Å; R124-D130 WeakPolarHBondContact O-CA 3.42Å; R124-D130 WeakPolarHBondContact O-CB 3.45Å; R124-D130 PolarHBondContact O-N 3.05Å
125K68.9Low66.2Low90 Ų9084 Ų8439%0.39143%0.427SS..THydrogen-bonded Turntrans-67121.8-170.4-174.8147.8-178.2166.60113.3R92 L121 S122 I123 D130R92-K125 PolarHBondContact NH1-O 3.35Å; R92-K125 PolarHBondContact NH2-O 3Å; R92-K125 VanDerWaalsContact NH2-O 3.12Å; L121-K125 HydrophobicContact CB-CB 4.42Å; L121-K125 HydrophobicContact CD2-CD 3.91Å; S122-K125 WeakPolarHBondContact O-CB 3.42Å; S122-K125 PolarHBondContact O-N 3.31Å; S122-K125 WeakPolarHBondContact OG-CB 3.28Å; S122-K125 PolarHBondContact OG-N 3Å; I123-K125 VanDerWaalsContact C-N 3.33Å; K125-D130 WeakPolarHBondContact CA-OD2 3.47Å
126G65.2Low64.3Low51 Ų5180.4 Ų80.453%0.52643%0.425SS..THydrogen-bonded Turntrans74.27.8-171.400000114.9H89 R124 D130H89-G126 PolarHBondContact CE1-O 3.46Å; R124-G126 PolarHBondContact O-N 3.48Å; G126-D130 PolarHBondContact N-OD1 2.78Å; G126-D130 VanDerWaalsContact N-OD1 3.16Å
127T63.2Low62.2Low19 Ų1983.5 Ų83.512%0.11743%0.428CS..SBendtrans-99.9173.7165.9700000109.5L88 H89 R124 F129 D130L88-T127 HydrophobicContact CD2-CG2 4.08Å; H89-T127 WeakPolarHBondContact ND1-CG2 2.91Å; R124-T127 VanDerWaalsContact C-OG1 3.27Å; R124-T127 VanDerWaalsContact CA-OG1 3.32Å; R124-T127 WeakPolarHBondContact CA-OG1 3.47Å; R124-T127 WeakPolarHBondContact O-CB 3.5Å; R124-T127 PolarHBondContact O-N 3.17Å; R124-T127 PolarHBondContact O-OG1 3.25Å; T127-F129 PolarHBondContact O-N 3.37Å; T127-F129 PolarHBondContact OG1-N 3.4Å; T127-D130 WeakPolarHBondContact O-CB 3.12Å; T127-D130 PolarHBondContact O-N 2.85Å
128W54Low60.2Low107 Ų10789.8 Ų89.841%0.40546%0.458SS..THydrogen-bonded Turntrans-51.5-19.9170.2-167.9-96.1000114.6K15 L19K15-W128 HydrophobicContact CG-CZ2 3.73Å; L19-W128 HydrophobicContact CD1-CD2 4.21Å; L19-W128 HydrophobicContact CD1-CE3 4.38Å; L19-W128 HydrophobicContact CD1-CH2 3.47Å; L19-W128 VanDerWaalsContact CD1-CH2 3.47Å; L19-W128 HydrophobicContact CD1-CZ2 3.18Å; L19-W128 HydrophobicContact CD1-CZ3 4.03Å; L19-W128 HydrophobicContact CD2-CH2 3.21Å; L19-W128 HydrophobicContact CD2-CZ2 3.71Å; L19-W128 HydrophobicContact CD2-CZ3 3.95Å; L19-W128 HydrophobicContact CG-CH2 3.38Å; L19-W128 HydrophobicContact CG-CZ2 3.25Å; L19-W128 HydrophobicContact CG-CZ3 4.31Å
129F57.5Low58.2Low3 Ų388.2 Ų88.21%0.01346%0.46CS..THydrogen-bonded Turntrans-93.73.4-179.5-56.4-83.1000114.8Y11 C12 L87 L88 R124 T127 E131Y11-F129 AromaticContact CD1-CD1 3.51Å; Y11-F129 HydrophobicContact CD1-CD1 3.51Å; Y11-F129 HydrophobicContact CD1-CE1 4.01Å; Y11-F129 HydrophobicContact CE1-CD1 4.08Å; Y11-F129 HydrophobicContact CG-CD1 4.39Å; C12-F129 HydrophobicContact CB-CE1 4.48Å; C12-F129 WeakPolarHBondContact SG-CE1 3.48Å; C12-F129 WeakPolarHBondContact SG-CZ 3.45Å; L87-F129 HydrophobicContact CB-CE2 4.21Å; L88-F129 HydrophobicContact CD2-CD2 3.72Å; L88-F129 HydrophobicContact CD2-CE2 4.03Å; R124-F129 HydrophobicContact CB-CB 3.73Å; R124-F129 WeakPolarHBondContact CB-O 3.4Å; R124-F129 WeakPolarHBondContact CD-O 3.29Å; R124-F129 HydrophobicContact CG-CB 3.6Å; T127-F129 PolarHBondContact O-N 3.37Å; T127-F129 PolarHBondContact OG1-N 3.4Å; F129-E131 PolarHBondContact O-N 3.27Å
130D64.7Low56.2Low72 Ų7292.9 Ų92.939%0.38548%0.483SS..  trans-66-21.1-175.3-160.7-170.5000112.7R124 K125 G126 T127 P132R124-D130 WeakPolarHBondContact O-CA 3.42Å; R124-D130 WeakPolarHBondContact O-CB 3.45Å; R124-D130 PolarHBondContact O-N 3.05Å; K125-D130 WeakPolarHBondContact CA-OD2 3.47Å; G126-D130 PolarHBondContact N-OD1 2.78Å; G126-D130 VanDerWaalsContact N-OD1 3.16Å; T127-D130 WeakPolarHBondContact O-CB 3.12Å; T127-D130 PolarHBondContact O-N 2.85Å; D130-P132 WeakPolarHBondContact O-CD 3.34Å
131E56.7Low53.8Low111 Ų11192 Ų9252%0.51950%0.501SS..SBendtrans-76119.8175.6-74.5-178.589.800111.1Y11 K15 F129Y11-E131 WeakPolarHBondContact OH-CB 3.08Å; Y11-E131 PolarHBondContact OH-O 3.4Å; K15-E131 IonicContact NZ-OE2 3.88Å; F129-E131 PolarHBondContact O-N 3.27Å
132P48.9Very low51.6Low105 Ų10593.9 Ų93.968%0.68253%0.525SS*.PPolyproline II helixtrans-60.9143164.227-30.8000108.3D130 A134D130-P132 WeakPolarHBondContact O-CD 3.34Å; P132-A134 PolarHBondContact O-N 2.73Å
133P45.6Very low49.3Very low60 Ų6095.4 Ų95.439%0.3955%0.549SS..PPolyproline II helixtrans-55.6122.7167.123.1-28.7000106.8F7 Y11 R135F7-P133 HydrophobicContact CE1-CG 4.44Å; F7-P133 HydrophobicContact CZ-CG 3.92Å; Y11-P133 HydrophobicContact CE2-CB 4.28Å; P133-R135 PolarHBondContact O-N 3.06Å
134A40.5Very low47.5Very low75 Ų7599 Ų9962%0.6257%0.571SS**PPolyproline II helixtrans-48.1117.8174.700000107.2P132 D136P132-A134 PolarHBondContact O-N 2.73Å; A134-D136 PolarHBondContact O-N 2.87Å
135R44.7Very low45.6Very low235 Ų235107.2 Ų107.289%0.88760%0.602SS**THydrogen-bonded Turntrans-69.6-1.8-168.6-83.5-176.7156.1-152.5-5.6113.8P133P133-R135 PolarHBondContact O-N 3.06Å
136D41.2Very low43.8Very low152 Ų152106.7 Ų106.781%0.81361%0.606SS**THydrogen-bonded Turntrans-145.412.9-165.7-79.8-79.7000116.3A134A134-D136 PolarHBondContact O-N 2.87Å
137E39.5Very low42.1Very low166 Ų166111.6 Ų111.678%0.77662%0.619SS**  trans-138.181.7177.8-65.7-176.392.600111.2P139E137-P139 WeakPolarHBondContact O-CD 3.18Å
138I43.4Very low40.6Very low159 Ų159114.8 Ų114.882%0.81564%0.635SS**  trans-79.5107.6149.8-58.7173.3000104.4E140I138-E140 PolarHBondContact O-N 3.39Å
139P38.6Very low39.6Very low105 Ų105115.5 Ų115.568%0.68264%0.643SS**  trans-64.9106.3173.324.9-31.3000108.3E137 G141E137-P139 WeakPolarHBondContact O-CD 3.18Å; P139-G141 PolarHBondContact O-N 3.38Å
140E41.2Very low38.4Very low204 Ų204119.6 Ų119.695%0.95367%0.672SS**THydrogen-bonded Turntrans-60.686.3167.1-64.6-152.7102.200108.5I138I138-E140 PolarHBondContact O-N 3.39Å
141G32Very low37Very low79 Ų79121 Ų12181%0.81468%0.684SS**THydrogen-bonded Turntrans154.4-6.5174.200000118.7P139P139-G141 PolarHBondContact O-N 3.38Å
142G28.2Very low36.2Very low63 Ų63121.2 Ų121.265%0.64969%0.692SS**  trans-10471.5-177.700000113.7V144G142-V144 PolarHBondContact O-N 2.88Å; G142-V144 VanDerWaalsContact O-N 3.14Å
143G25.3Very low35.7Very low81 Ų81123.6 Ų123.684%0.83570%0.699SS**  trans-69.3105.2-179.800000113
144V29.7Very low35.3Very low80 Ų80128.8 Ų128.849%0.48572%0.724SS.*  trans-91.8127160.3179.60000108.3G142 V146G142-V144 PolarHBondContact O-N 2.88Å; G142-V144 VanDerWaalsContact O-N 3.14Å; V144-V146 PolarHBondContact O-N 3.48Å
145R28.9Very low35.3Very low235 Ų235132.2 Ų132.289%0.88777%0.766SS**  trans-77.2106.2170.8-78.1-176.3173.6-140.1-0.2108.5L147R145-L147 PolarHBondContact O-N 3.32Å; R145-L147 VanDerWaalsContact O-N 3.14Å
146V31.2Very low34.8Very low78 Ų78127.1 Ų127.147%0.47376%0.76SS.*  trans-64.3110.7159.3-1790000106.8E17 V144 L148E17-V146 WeakPolarHBondContact OE1-CG2 3.37Å; V144-V146 PolarHBondContact O-N 3.48Å; V146-L148 VanDerWaalsContact C-N 3.26Å; V146-L148 HydrophobicContact CG1-CG 4.42Å; V146-L148 PolarHBondContact O-N 2.83Å
147L29.4Very low34.5Very low154 Ų154125.7 Ų125.781%0.80676%0.757SS**  trans-68.794.1164.5-80.6164.3000106.8R145 E149R145-L147 PolarHBondContact O-N 3.32Å; R145-L147 VanDerWaalsContact O-N 3.14Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.23Å
148L31.3Very low34.2Very low87 Ų87123.5 Ų123.546%0.45576%0.756SS.*  trans-65.597160.4-70.9164.1000106.4A42 V146 S150A42-L148 HydrophobicContact CB-CD2 3.65Å; V146-L148 VanDerWaalsContact C-N 3.26Å; V146-L148 HydrophobicContact CG1-CG 4.42Å; V146-L148 PolarHBondContact O-N 2.83Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 3.1Å
149E33.6Very low33.7Very low121 Ų121121.4 Ų121.457%0.56575%0.753SS**  trans-69.793.2162.4-75-170.596.800107.2C41 L147 T151C41-E149 PolarHBondContact SG-O 3.26Å; L147-E149 VanDerWaalsContact C-N 3.3Å; L147-E149 PolarHBondContact O-N 3.23Å; E149-T151 PolarHBondContact O-N 2.79Å; E149-T151 VanDerWaalsContact O-N 3.1Å
150S31.9Very low33.4Very low89 Ų89122.4 Ų122.462%0.62276%0.757SS**  trans-65105.7159.253.30000106.7L148 V152L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 3.1Å; S150-V152 PolarHBondContact O-N 3.27Å
151T34.3Very low32.9Very low103 Ų103117 Ų11763%0.63274%0.744SS**  trans-67.391.2159.1520000106.1E149 D153E149-T151 PolarHBondContact O-N 2.79Å; E149-T151 VanDerWaalsContact O-N 3.1Å; T151-D153 PolarHBondContact O-N 3.25Å
152V40.9Very low32.9Very low114 Ų114119.7 Ų119.769%0.69174%0.739SS**  trans-83.2104.1161-148.90000103.8S150 D154S150-V152 PolarHBondContact O-N 3.27Å; V152-D154 PolarHBondContact O-N 3.08Å
153D38.7Very low33.3Very low155 Ų155124.1 Ų124.183%0.82975%0.746SS**  trans-60105.7161.9-83.8-83.5000106.7T151T151-D153 PolarHBondContact O-N 3.25Å
154D35.9Very low33.9Very low169 Ų169127.7 Ų127.790%0.90474%0.739SS**  trans-9195.7167.4-159.6-95.8000106.2V152V152-D154 PolarHBondContact O-N 3.08Å
155G41.4Very low34.3Very low147 Ų147132 Ų132100%1.51576%0.762SS**  trans-171.70-177.100000112.8

Retrieved 155 of 155 residues in 297.1 ms (Link to these results)

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