A0A077Z9S9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9S9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 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
1M35.8Very low45Very low240 Ų240130 Ų130100%1.18268%0.68SS**  098.50-74.1169.1164.300109.2
2N45Very low44.6Very low143 Ų143123.1 Ų123.177%0.76565%0.65SS**  trans-170.657.6159.5-111-9.7000110.8N4N2-N4 VanDerWaalsContact C-N 3.25Å; N2-N4 PolarHBondContact O-N 3.35Å
3N48.4Very low44.5Very low152 Ų152120.8 Ų120.881%0.81364%0.638SS**THydrogen-bonded Turntrans-83.36.5-177.6-71.1-0.2000113.8
4N48Very low44.9Very low131 Ų131118.3 Ų118.370%0.70163%0.629SS**Hα-helixtrans-93.2-9.2-175.6-79-7.9000115N2N2-N4 VanDerWaalsContact C-N 3.25Å; N2-N4 PolarHBondContact O-N 3.35Å
5S49.1Very low44.9Very low84 Ų84117.2 Ų117.259%0.58762%0.619SS**Hα-helixtrans-77.2-39.2179.155.70000112.6C7 K8 Q9S5-C7 VanDerWaalsContact C-N 3.35Å; S5-C7 PolarHBondContact O-N 3.25Å; S5-K8 PolarHBondContact O-N 3.47Å; S5-Q9 PolarHBondContact O-N 3.43Å
6S47.6Very low44.5Very low66 Ų66114.8 Ų114.846%0.46260%0.599SS.*Hα-helixtrans-62.5-40.1179.8-1770000112.4Q9 Q10S6-Q9 PolarHBondContact O-N 3.43Å; S6-Q10 PolarHBondContact O-N 3Å
7C39.5Very low44.6Very low75 Ų75118.9 Ų118.951%0.50760%0.604SS.*Hα-helixtrans-65.9-43.1-178-166.60000112.1S5 Q9 Q10 Q11S5-C7 VanDerWaalsContact C-N 3.35Å; S5-C7 PolarHBondContact O-N 3.25Å; C7-Q9 VanDerWaalsContact C-N 3.3Å; C7-Q9 PolarHBondContact O-N 3.01Å; C7-Q10 PolarHBondContact O-N 2.98Å; C7-Q11 WeakPolarHBondContact O-CB 3.32Å; C7-Q11 PolarHBondContact O-N 3.46Å
8K45.5Very low44.9Very low162 Ų162116.7 Ų116.770%0.70459%0.594SS**Hα-helixtrans-65.2-32.9175.1-72.4-174177.4-178.80112.7S5 C12S5-K8 PolarHBondContact O-N 3.47Å; K8-C12 VanDerWaalsContact O-CB 3.27Å; K8-C12 WeakPolarHBondContact O-CB 3.27Å; K8-C12 PolarHBondContact O-N 3Å
9Q42Very low44.8Very low136 Ų136117.3 Ų117.364%0.63659%0.589SS**Hα-helixtrans-73.6-41.8-179.9-151.6168.55.500111.5S5 S6 C7 C12 L13S5-Q9 PolarHBondContact O-N 3.43Å; S6-Q9 PolarHBondContact O-N 3.43Å; C7-Q9 VanDerWaalsContact C-N 3.3Å; C7-Q9 PolarHBondContact O-N 3.01Å; Q9-C12 PolarHBondContact O-N 3.39Å; Q9-L13 WeakPolarHBondContact O-CG 3.37Å; Q9-L13 PolarHBondContact O-N 3.25Å
10Q45.4Very low44.7Very low123 Ų123113.6 Ų113.658%0.57557%0.573SS**Hα-helixtrans-64.3-43.2172.2-81.2176.4-31.900112.2S6 C7 C12 L13 V14S6-Q10 PolarHBondContact O-N 3Å; C7-Q10 PolarHBondContact O-N 2.98Å; Q10-C12 VanDerWaalsContact C-N 3.32Å; Q10-C12 PolarHBondContact O-N 3.13Å; Q10-L13 WeakPolarHBondContact O-CB 3.08Å; Q10-L13 PolarHBondContact O-N 2.93Å; Q10-L13 VanDerWaalsContact O-N 3.13Å; Q10-V14 WeakPolarHBondContact O-CG2 3.47Å; Q10-V14 PolarHBondContact O-N 2.94Å
11Q48.7Very low44.9Very low118 Ų118115.2 Ų115.255%0.55157%0.573SS**Hα-helixtrans-62.5-40.8177.1-160.6168.99.500111.4C7 L13 V14 E15C7-Q11 WeakPolarHBondContact O-CB 3.32Å; C7-Q11 PolarHBondContact O-N 3.46Å; Q11-L13 PolarHBondContact O-N 3.44Å; Q11-V14 PolarHBondContact O-N 3.29Å; Q11-E15 WeakPolarHBondContact O-CB 3.48Å; Q11-E15 WeakPolarHBondContact O-CG 3.34Å; Q11-E15 PolarHBondContact O-N 3.45Å
12C40.5Very low45.5Very low47 Ų47109.3 Ų109.332%0.31854%0.542SS..Hα-helixtrans-62.1-39.3172.9-168.10000112.3K8 Q9 Q10 R16K8-C12 VanDerWaalsContact O-CB 3.27Å; K8-C12 WeakPolarHBondContact O-CB 3.27Å; K8-C12 PolarHBondContact O-N 3Å; Q9-C12 PolarHBondContact O-N 3.39Å; Q10-C12 VanDerWaalsContact C-N 3.32Å; Q10-C12 PolarHBondContact O-N 3.13Å; C12-R16 WeakPolarHBondContact O-CB 3.43Å; C12-R16 VanDerWaalsContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CG 3.5Å; C12-R16 PolarHBondContact O-N 3.45Å; C12-R16 PolarHBondContact SG-NE 3.26Å
13L43Very low45.5Very low94 Ų94104.7 Ų104.749%0.49252%0.517SS..Hα-helixtrans-67.3-38.5175.8-71.7170.7000112.9Q9 Q10 Q11 R16 R17Q9-L13 WeakPolarHBondContact O-CG 3.37Å; Q9-L13 PolarHBondContact O-N 3.25Å; Q10-L13 WeakPolarHBondContact O-CB 3.08Å; Q10-L13 PolarHBondContact O-N 2.93Å; Q10-L13 VanDerWaalsContact O-N 3.13Å; Q11-L13 PolarHBondContact O-N 3.44Å; L13-R16 PolarHBondContact O-N 2.91Å; L13-R17 PolarHBondContact O-N 2.91Å
14V49.8Very low45.4Very low85 Ų85101 Ų10152%0.51550%0.495SS..Hα-helixtrans-68.5-45.1176174.30000110.8Q10 Q11 R16 R17 N18Q10-V14 WeakPolarHBondContact O-CG2 3.47Å; Q10-V14 PolarHBondContact O-N 2.94Å; Q11-V14 PolarHBondContact O-N 3.29Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.41Å; V14-R17 PolarHBondContact O-N 3.31Å; V14-N18 WeakPolarHBondContact O-CB 3.35Å; V14-N18 PolarHBondContact O-N 2.98Å
15E45Very low45.4Very low102 Ų102103.5 Ų103.548%0.47750%0.495SS..Hα-helixtrans-59.2-41173.3-77.8-175.9176.600111.9Q11 N18 R19Q11-E15 WeakPolarHBondContact O-CB 3.48Å; Q11-E15 WeakPolarHBondContact O-CG 3.34Å; Q11-E15 PolarHBondContact O-N 3.45Å; E15-N18 PolarHBondContact O-N 3.36Å; E15-R19 WeakPolarHBondContact O-CB 3.49Å; E15-R19 WeakPolarHBondContact O-CG 3.31Å; E15-R19 PolarHBondContact O-N 2.9Å
16R38.6Very low45.3Very low79 Ų79107.9 Ų107.930%0.29850%0.499SS..Hα-helixtrans-61.5-47.7175.2-76.2164.5-169.6-142.414.5112.3C12 L13 V14 N18 R19 C20 E65C12-R16 WeakPolarHBondContact O-CB 3.43Å; C12-R16 VanDerWaalsContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CD 3.31Å; C12-R16 WeakPolarHBondContact O-CG 3.5Å; C12-R16 PolarHBondContact O-N 3.45Å; C12-R16 PolarHBondContact SG-NE 3.26Å; L13-R16 PolarHBondContact O-N 2.91Å; V14-R16 VanDerWaalsContact C-N 3.3Å; V14-R16 PolarHBondContact O-N 3.41Å; R16-N18 VanDerWaalsContact C-N 3.31Å; R16-N18 PolarHBondContact O-N 2.83Å; R16-R19 PolarHBondContact O-N 2.9Å; R16-C20 WeakPolarHBondContact O-CB 3.45Å; R16-C20 PolarHBondContact O-N 3.44Å; R16-E65 VanDerWaalsContact CD-OE1 3.31Å; R16-E65 WeakPolarHBondContact CD-OE1 3.12Å; R16-E65 IonicContact CZ-OE1 3.67Å; R16-E65 IonicContact NE-OE1 3.75Å; R16-E65 IonicContact NH1-OE1 2.9Å; R16-E65 PolarHBondContact NH1-OE1 3.43Å
17R47.2Very low45.4Very low184 Ų184105.7 Ų105.769%0.69448%0.482SS*.Hα-helixtrans-61.3-40.6175.7-79.7-175.8-177.8171.91.3111.6L13 V14 C20 R21L13-R17 PolarHBondContact O-N 2.91Å; V14-R17 PolarHBondContact O-N 3.31Å; R17-C20 PolarHBondContact O-N 3.32Å; R17-R21 WeakPolarHBondContact O-CB 3.34Å; R17-R21 WeakPolarHBondContact O-CG 3.47Å; R17-R21 PolarHBondContact O-N 2.85Å
18N48.6Very low45.8Very low79 Ų79108.3 Ų108.342%0.42249%0.485SS..Hα-helixtrans-67.1-43.6177.7-80.1-14.7000112.1V14 E15 R16 R21 Q22V14-N18 WeakPolarHBondContact O-CB 3.35Å; V14-N18 PolarHBondContact O-N 2.98Å; E15-N18 PolarHBondContact O-N 3.36Å; R16-N18 VanDerWaalsContact C-N 3.31Å; R16-N18 PolarHBondContact O-N 2.83Å; N18-R21 PolarHBondContact O-N 2.8Å; N18-Q22 WeakPolarHBondContact O-CB 3.42Å; N18-Q22 WeakPolarHBondContact O-CG 3.35Å; N18-Q22 PolarHBondContact O-N 3.28Å
19R43.9Very low45.9Very low129 Ų129103.8 Ų103.849%0.48747%0.473SS..Hα-helixtrans-63.5-40.7173.8-74.8-176.1-174.4-172.53.3112E15 R16 Q22 L23E15-R19 WeakPolarHBondContact O-CB 3.49Å; E15-R19 WeakPolarHBondContact O-CG 3.31Å; E15-R19 PolarHBondContact O-N 2.9Å; R16-R19 PolarHBondContact O-N 2.9Å; R19-Q22 PolarHBondContact O-N 3.08Å; R19-L23 VanDerWaalsContact O-CB 3.31Å; R19-L23 WeakPolarHBondContact O-CB 3.47Å; R19-L23 VanDerWaalsContact O-CG 3.29Å; R19-L23 WeakPolarHBondContact O-CG 3.38Å; R19-L23 PolarHBondContact O-N 3.38Å
20C42.5Very low46.3Very low42 Ų42100.1 Ų100.128%0.28446%0.458SS..Hα-helixtrans-61.8-43.7174-173.80000111.5R16 R17 L23 Q24R16-C20 WeakPolarHBondContact O-CB 3.45Å; R16-C20 PolarHBondContact O-N 3.44Å; R17-C20 PolarHBondContact O-N 3.32Å; C20-L23 PolarHBondContact O-N 3.1Å; C20-Q24 WeakPolarHBondContact O-CB 3.4Å; C20-Q24 WeakPolarHBondContact O-CG 3.39Å; C20-Q24 PolarHBondContact O-N 2.98Å
21R49.6Very low46.4Very low148 Ų14895.8 Ų95.856%0.55844%0.438SS*.Hα-helixtrans-65.7-40.8175.3-76176.5-179.9179.8-1.5112.1R17 N18 Q24 R25R17-R21 WeakPolarHBondContact O-CB 3.34Å; R17-R21 WeakPolarHBondContact O-CG 3.47Å; R17-R21 PolarHBondContact O-N 2.85Å; N18-R21 PolarHBondContact O-N 2.8Å; R21-Q24 PolarHBondContact O-N 3.02Å; R21-R25 WeakPolarHBondContact O-CG 3.33Å; R21-R25 PolarHBondContact O-N 3.19Å
22Q47.3Very low46.4Very low117 Ų11795.9 Ų95.955%0.54745%0.447SS..Hα-helixtrans-63.7-42174.7-77.9177.9-11.700111N18 R19 R25 W26N18-Q22 WeakPolarHBondContact O-CB 3.42Å; N18-Q22 WeakPolarHBondContact O-CG 3.35Å; N18-Q22 PolarHBondContact O-N 3.28Å; R19-Q22 PolarHBondContact O-N 3.08Å; Q22-R25 PolarHBondContact O-N 2.68Å; Q22-W26 VanDerWaalsContact O-CB 3.32Å; Q22-W26 WeakPolarHBondContact O-CB 3.4Å; Q22-W26 PolarHBondContact O-N 2.81Å
23L45.3Very low46.5Very low45 Ų45100.5 Ų100.524%0.23647%0.467CS..Hα-helixtrans-67.4-34.5173.9-76167.7000112.2R19 C20 N27 V79 L96R19-L23 VanDerWaalsContact O-CB 3.31Å; R19-L23 WeakPolarHBondContact O-CB 3.47Å; R19-L23 VanDerWaalsContact O-CG 3.29Å; R19-L23 WeakPolarHBondContact O-CG 3.38Å; R19-L23 PolarHBondContact O-N 3.38Å; C20-L23 PolarHBondContact O-N 3.1Å; L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 VanDerWaalsContact O-CG 3.3Å; L23-N27 PolarHBondContact O-N 3.31Å; L23-N27 PolarHBondContact O-ND2 2.74Å; L23-V79 HydrophobicContact CD1-CG2 4.09Å; L23-V79 HydrophobicContact CD2-CG2 4.5Å; L23-L96 HydrophobicContact CD1-CD1 3.81Å; L23-L96 HydrophobicContact CD2-CD1 4.02Å
24Q46Very low46.6Very low74 Ų74100.1 Ų100.135%0.34647%0.465SS..Hα-helixtrans-66.1-40171.9-78.9178.2-18.400111.6C20 R21 K28 C63C20-Q24 WeakPolarHBondContact O-CB 3.4Å; C20-Q24 WeakPolarHBondContact O-CG 3.39Å; C20-Q24 PolarHBondContact O-N 2.98Å; R21-Q24 PolarHBondContact O-N 3.02Å; Q24-K28 WeakPolarHBondContact O-CB 3.32Å; Q24-K28 VanDerWaalsContact O-CG 3.3Å; Q24-K28 WeakPolarHBondContact O-CG 3.29Å; Q24-K28 PolarHBondContact O-N 3.28Å; Q24-C63 WeakPolarHBondContact CG-SG 3.36Å
25R49.1Very low46.4Very low184 Ų18497 Ų9769%0.69445%0.451SS*.Hα-helixtrans-67.3-47.3174.2-72.7177.4-177.1178.3-0.6111R21 Q22 K28 S29R21-R25 WeakPolarHBondContact O-CG 3.33Å; R21-R25 PolarHBondContact O-N 3.19Å; Q22-R25 PolarHBondContact O-N 2.68Å; R25-K28 PolarHBondContact O-N 3.34Å; R25-S29 WeakPolarHBondContact O-CB 3.31Å; R25-S29 PolarHBondContact O-N 2.92Å; R25-S29 PolarHBondContact O-OG 2.93Å
26W46.7Very low46.5Very low177 Ų17794 Ų9467%0.6744%0.439SS*.Hα-helixtrans-58.6-48.7175.2-102.684.4000110.8Q22 K28 S29 L30Q22-W26 VanDerWaalsContact O-CB 3.32Å; Q22-W26 WeakPolarHBondContact O-CB 3.4Å; Q22-W26 PolarHBondContact O-N 2.81Å; W26-K28 PolarHBondContact O-N 3.08Å; W26-S29 CarbonylContact O-C 3.48Å; W26-S29 PolarHBondContact O-N 3.27Å; W26-L30 HydrophobicContact CE3-CD1 3.97Å; W26-L30 HydrophobicContact CZ3-CD1 4.01Å; W26-L30 WeakPolarHBondContact O-CA 3.25Å; W26-L30 WeakPolarHBondContact O-CB 3.28Å; W26-L30 PolarHBondContact O-N 3.25Å
27N50Low46.5Very low20 Ų2096.2 Ų96.211%0.10745%0.453CS..Hα-helixtrans-66.5-36.5177.3-77.9-56.9000112.2L23 L30 L31 V79L23-N27 WeakPolarHBondContact O-CB 3.34Å; L23-N27 VanDerWaalsContact O-CG 3.3Å; L23-N27 PolarHBondContact O-N 3.31Å; L23-N27 PolarHBondContact O-ND2 2.74Å; N27-L30 PolarHBondContact O-N 2.79Å; N27-L31 HydrophobicContact CB-CD1 4.46Å; N27-L31 WeakPolarHBondContact O-CA 3.49Å; N27-L31 WeakPolarHBondContact O-CB 3.4Å; N27-L31 VanDerWaalsContact O-CD1 3.31Å; N27-L31 WeakPolarHBondContact O-CD1 3.25Å; N27-L31 WeakPolarHBondContact O-CG 3.16Å; N27-L31 PolarHBondContact O-N 3.13Å; N27-V79 WeakPolarHBondContact ND2-CG1 3.45Å
28K46.7Very low46.3Very low130 Ų13092.9 Ų92.957%0.56545%0.445SS*.Hα-helixtrans-61.3-47.4170.9-81.3-177.4176.8-170.30110.7Q24 R25 W26 L30 V32 L61Q24-K28 WeakPolarHBondContact O-CB 3.32Å; Q24-K28 VanDerWaalsContact O-CG 3.3Å; Q24-K28 WeakPolarHBondContact O-CG 3.29Å; Q24-K28 PolarHBondContact O-N 3.28Å; R25-K28 PolarHBondContact O-N 3.34Å; W26-K28 PolarHBondContact O-N 3.08Å; K28-L30 PolarHBondContact O-N 2.96Å; K28-V32 VanDerWaalsContact O-CB 3.23Å; K28-V32 WeakPolarHBondContact O-CB 3.44Å; K28-V32 WeakPolarHBondContact O-CG2 3.22Å; K28-V32 PolarHBondContact O-N 3.4Å; K28-L61 HydrophobicContact CG-CD1 3.96Å
29S48.1Very low46.2Very low66 Ų6691.1 Ų91.146%0.46244%0.437SS..Hα-helixtrans-64-38.4176-65.60000112.3R25 W26 V32 L33R25-S29 WeakPolarHBondContact O-CB 3.31Å; R25-S29 PolarHBondContact O-N 2.92Å; R25-S29 PolarHBondContact O-OG 2.93Å; W26-S29 CarbonylContact O-C 3.48Å; W26-S29 PolarHBondContact O-N 3.27Å; S29-V32 PolarHBondContact O-N 2.82Å; S29-L33 WeakPolarHBondContact O-CA 3.3Å; S29-L33 WeakPolarHBondContact O-CB 3.18Å; S29-L33 WeakPolarHBondContact O-CD1 3.43Å; S29-L33 WeakPolarHBondContact O-CG 3.32Å; S29-L33 PolarHBondContact O-N 3.36Å
30L49.5Very low46.1Very low60 Ų6085.6 Ų85.631%0.31442%0.418SS..Hα-helixtrans-76.2-38.3-178.1-153.6107000110.7W26 N27 K28 L33 L34W26-L30 HydrophobicContact CE3-CD1 3.97Å; W26-L30 HydrophobicContact CZ3-CD1 4.01Å; W26-L30 WeakPolarHBondContact O-CA 3.25Å; W26-L30 WeakPolarHBondContact O-CB 3.28Å; W26-L30 PolarHBondContact O-N 3.25Å; N27-L30 PolarHBondContact O-N 2.79Å; K28-L30 PolarHBondContact O-N 2.96Å; L30-L33 PolarHBondContact O-N 3.48Å; L30-L34 HydrophobicContact CD2-CD1 3.41Å; L30-L34 VanDerWaalsContact CD2-CD1 3.41Å; L30-L34 HydrophobicContact CD2-CG 4.4Å; L30-L34 HydrophobicContact CG-CD1 3.68Å; L30-L34 HydrophobicContact CG-CG 4.14Å; L30-L34 WeakPolarHBondContact O-CA 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.08Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.25Å
31L49.3Very low46Very low32 Ų3288.4 Ų88.417%0.16843%0.427CS..Hα-helixtrans-67.4-37.3172-75.3165.4000111N27 G35 V36 L61 V81N27-L31 HydrophobicContact CB-CD1 4.46Å; N27-L31 WeakPolarHBondContact O-CA 3.49Å; N27-L31 WeakPolarHBondContact O-CB 3.4Å; N27-L31 VanDerWaalsContact O-CD1 3.31Å; N27-L31 WeakPolarHBondContact O-CD1 3.25Å; N27-L31 WeakPolarHBondContact O-CG 3.16Å; N27-L31 PolarHBondContact O-N 3.13Å; L31-G35 CarbonylContact O-C 3.38Å; L31-G35 PolarHBondContact O-N 2.89Å; L31-V36 HydrophobicContact CB-CG2 3.6Å; L31-V36 HydrophobicContact CD2-CG2 3.83Å; L31-V36 HydrophobicContact CG-CG2 4.28Å; L31-V36 WeakPolarHBondContact O-CG2 3.04Å; L31-V36 PolarHBondContact O-N 3.17Å; L31-L61 HydrophobicContact CD1-CD1 4.14Å; L31-L61 HydrophobicContact CD1-CD2 3.8Å; L31-V81 HydrophobicContact CD1-CG1 4.39Å
32V47Very low45.6Very low120 Ų12089.8 Ų89.873%0.72743%0.432SS*.Hα-helixtrans-69.2-46172.2169.50000111K28 S29 G35K28-V32 VanDerWaalsContact O-CB 3.23Å; K28-V32 WeakPolarHBondContact O-CB 3.44Å; K28-V32 WeakPolarHBondContact O-CG2 3.22Å; K28-V32 PolarHBondContact O-N 3.4Å; S29-V32 PolarHBondContact O-N 2.82Å; V32-G35 PolarHBondContact O-N 2.87Å
33L42.7Very low45.2Very low144 Ų14485.5 Ų85.575%0.75441%0.413SS*.Hα-helixtrans-71.5-40.6-177.2-79.9165.6000113S29 L30 G35S29-L33 WeakPolarHBondContact O-CA 3.3Å; S29-L33 WeakPolarHBondContact O-CB 3.18Å; S29-L33 WeakPolarHBondContact O-CD1 3.43Å; S29-L33 WeakPolarHBondContact O-CG 3.32Å; S29-L33 PolarHBondContact O-N 3.36Å; L30-L33 PolarHBondContact O-N 3.48Å; L33-G35 PolarHBondContact O-N 2.74Å
34L46.4Very low44.8Very low85 Ų8586.4 Ų86.445%0.44542%0.415SS..THydrogen-bonded Turntrans-77.5-4.4177.6-66.9172.3000111.9L30 Q38 V39L30-L34 HydrophobicContact CD2-CD1 3.41Å; L30-L34 VanDerWaalsContact CD2-CD1 3.41Å; L30-L34 HydrophobicContact CD2-CG 4.4Å; L30-L34 HydrophobicContact CG-CD1 3.68Å; L30-L34 HydrophobicContact CG-CG 4.14Å; L30-L34 WeakPolarHBondContact O-CA 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.08Å; L30-L34 WeakPolarHBondContact O-CG 3.22Å; L30-L34 PolarHBondContact O-N 3.25Å; L34-Q38 WeakPolarHBondContact O-CB 3.23Å; L34-V39 HydrophobicContact CB-CG2 3.57Å; L34-V39 HydrophobicContact CD1-CG2 4.19Å; L34-V39 HydrophobicContact CG-CG2 4.44Å
35G43.8Very low44.4Very low20 Ų2089.4 Ų89.421%0.20643%0.429CS..THydrogen-bonded Turntrans55.9100.4-168.800000109.4L31 V32 L33 E37 Q38 V39L31-G35 CarbonylContact O-C 3.38Å; L31-G35 PolarHBondContact O-N 2.89Å; V32-G35 PolarHBondContact O-N 2.87Å; L33-G35 PolarHBondContact O-N 2.74Å; G35-E37 CarbonylContact O-C 3.49Å; G35-E37 PolarHBondContact O-N 2.95Å; G35-Q38 WeakPolarHBondContact O-CA 3.07Å; G35-Q38 PolarHBondContact O-N 3.32Å; G35-V39 PolarHBondContact O-N 2.64Å
36V47.3Very low43.7Very low39 Ų3988.1 Ų88.124%0.23643%0.431CS..Hα-helixtrans-46.4-35.6174.9-175.70000111.1L31 C40 I83L31-V36 HydrophobicContact CB-CG2 3.6Å; L31-V36 HydrophobicContact CD2-CG2 3.83Å; L31-V36 HydrophobicContact CG-CG2 4.28Å; L31-V36 WeakPolarHBondContact O-CG2 3.04Å; L31-V36 PolarHBondContact O-N 3.17Å; V36-C40 WeakPolarHBondContact O-CB 3.48Å; V36-C40 PolarHBondContact O-N 2.81Å; V36-C40 PolarHBondContact O-SG 3.43Å; V36-I83 HydrophobicContact CG1-CD1 4.45Å
37E39.4Very low43Very low125 Ų12580.8 Ų80.858%0.58441%0.406SS*.Hα-helixtrans-58.7-52167.8-85.9-171.9135.400114.5G35 V39 C40 Q41 L55G35-E37 CarbonylContact O-C 3.49Å; G35-E37 PolarHBondContact O-N 2.95Å; E37-V39 PolarHBondContact O-N 2.84Å; E37-C40 CarbonylContact O-C 3.53Å; E37-C40 PolarHBondContact O-N 3.19Å; E37-Q41 WeakPolarHBondContact O-CA 3.48Å; E37-Q41 WeakPolarHBondContact O-CB 3.14Å; E37-Q41 PolarHBondContact O-N 2.9Å; E37-L55 HydrophobicContact CG-CD1 4.19Å
38Q43.5Very low42.2Very low115 Ų11586.2 Ų86.254%0.53744%0.441SS..Hα-helixtrans-66.7-35.3-177.8-59.517810.100112.7L34 G35 R42L34-Q38 WeakPolarHBondContact O-CB 3.23Å; G35-Q38 WeakPolarHBondContact O-CA 3.07Å; G35-Q38 PolarHBondContact O-N 3.32Å; Q38-R42 WeakPolarHBondContact O-CB 3.18Å; Q38-R42 WeakPolarHBondContact O-CG 3.07Å; Q38-R42 PolarHBondContact O-N 2.81Å
39V47Very low41.5Very low42 Ų4282 Ų8226%0.25542%0.421SS..Hα-helixtrans-66-50.6172.6176.20000109.3L34 G35 E37 Q41 R42 L43L34-V39 HydrophobicContact CB-CG2 3.57Å; L34-V39 HydrophobicContact CD1-CG2 4.19Å; L34-V39 HydrophobicContact CG-CG2 4.44Å; G35-V39 PolarHBondContact O-N 2.64Å; E37-V39 PolarHBondContact O-N 2.84Å; V39-Q41 VanDerWaalsContact C-N 3.3Å; V39-Q41 PolarHBondContact O-N 3.09Å; V39-R42 PolarHBondContact O-N 2.72Å; V39-L43 HydrophobicContact CG1-CD1 3.64Å; V39-L43 WeakPolarHBondContact O-CB 3.14Å; V39-L43 WeakPolarHBondContact O-CD1 3.21Å; V39-L43 WeakPolarHBondContact O-CG 3.04Å; V39-L43 PolarHBondContact O-N 3.19Å
40C41.2Very low40.5Very low12 Ų1287.9 Ų87.98%0.08144%0.441CS..Hα-helixtrans-58.4-41.9175.3-68.80000111.6V36 E37 L43 F44V36-C40 WeakPolarHBondContact O-CB 3.48Å; V36-C40 PolarHBondContact O-N 2.81Å; V36-C40 PolarHBondContact O-SG 3.43Å; E37-C40 CarbonylContact O-C 3.53Å; E37-C40 PolarHBondContact O-N 3.19Å; C40-L43 CarbonylContact O-C 3.53Å; C40-L43 WeakPolarHBondContact O-CA 3.07Å; C40-L43 WeakPolarHBondContact O-CB 3.47Å; C40-L43 PolarHBondContact O-N 3.05Å; C40-L43 VanDerWaalsContact O-N 3.15Å; C40-F44 HydrophobicContact CB-CD2 4.2Å; C40-F44 HydrophobicContact CB-CE2 4.15Å; C40-F44 WeakPolarHBondContact O-CB 3.22Å; C40-F44 WeakPolarHBondContact O-CD2 3.45Å; C40-F44 PolarHBondContact O-N 2.95Å
41Q39.1Very low39.4Very low101 Ų10192.6 Ų92.647%0.47246%0.462SS..Hα-helixtrans-68.4-45.2-176.7-168.9172.213.800111E37 V39 L43 F44 E45E37-Q41 WeakPolarHBondContact O-CA 3.48Å; E37-Q41 WeakPolarHBondContact O-CB 3.14Å; E37-Q41 PolarHBondContact O-N 2.9Å; V39-Q41 VanDerWaalsContact C-N 3.3Å; V39-Q41 PolarHBondContact O-N 3.09Å; Q41-L43 PolarHBondContact O-N 2.74Å; Q41-F44 CarbonylContact O-C 3.55Å; Q41-F44 PolarHBondContact O-N 3.43Å; Q41-F44 VanDerWaalsContact O-N 3.16Å; Q41-E45 WeakPolarHBondContact O-CB 3.06Å; Q41-E45 VanDerWaalsContact O-CG 3.3Å; Q41-E45 WeakPolarHBondContact O-CG 3.35Å; Q41-E45 PolarHBondContact O-N 2.92Å
42R42.3Very low38.4Very low177 Ų17793.8 Ų93.867%0.66847%0.473SS*.Hα-helixtrans-62.3-31.5170.7-74.6-172.7-173.7-178.74.1112.5Q38 V39 H46Q38-R42 WeakPolarHBondContact O-CB 3.18Å; Q38-R42 WeakPolarHBondContact O-CG 3.07Å; Q38-R42 PolarHBondContact O-N 2.81Å; V39-R42 PolarHBondContact O-N 2.72Å; R42-H46 PolarHBondContact O-CD2 3.26Å; R42-H46 PolarHBondContact O-N 2.95Å
43L39.9Very low37.4Very low27 Ų2793.8 Ų93.814%0.14148%0.478CS..Hα-helixtrans-73.6-35.9174.9-67.4157.4000112.1V39 C40 Q41 S47 L118 V120 M125V39-L43 HydrophobicContact CG1-CD1 3.64Å; V39-L43 WeakPolarHBondContact O-CB 3.14Å; V39-L43 WeakPolarHBondContact O-CD1 3.21Å; V39-L43 WeakPolarHBondContact O-CG 3.04Å; V39-L43 PolarHBondContact O-N 3.19Å; C40-L43 CarbonylContact O-C 3.53Å; C40-L43 WeakPolarHBondContact O-CA 3.07Å; C40-L43 WeakPolarHBondContact O-CB 3.47Å; C40-L43 PolarHBondContact O-N 3.05Å; C40-L43 VanDerWaalsContact O-N 3.15Å; Q41-L43 PolarHBondContact O-N 2.74Å; L43-S47 WeakPolarHBondContact O-CB 3.32Å; L43-S47 PolarHBondContact O-N 3.17Å; L43-S47 VanDerWaalsContact O-N 3.13Å; L43-S47 PolarHBondContact O-OG 2.73Å; L43-L118 HydrophobicContact CD2-CD2 3.64Å; L43-V120 HydrophobicContact CD2-CG2 4.08Å; L43-M125 HydrophobicContact CD1-CE 3.27Å; L43-M125 HydrophobicContact CD1-SD 3.52Å; L43-M125 VanDerWaalsContact CD1-SD 3.52Å; L43-M125 HydrophobicContact CD2-CE 3.39Å; L43-M125 HydrophobicContact CD2-SD 3.89Å; L43-M125 HydrophobicContact CG-CE 3.95Å; L43-M125 HydrophobicContact CG-SD 4.28Å
44F35.4Very low36.6Very low64 Ų6490.8 Ų90.828%0.28147%0.465SS..Hα-helixtrans-73.5-31.2173.5-79.3-67.8000112C40 Q41 W49 C85C40-F44 HydrophobicContact CB-CD2 4.2Å; C40-F44 HydrophobicContact CB-CE2 4.15Å; C40-F44 WeakPolarHBondContact O-CB 3.22Å; C40-F44 WeakPolarHBondContact O-CD2 3.45Å; C40-F44 PolarHBondContact O-N 2.95Å; Q41-F44 CarbonylContact O-C 3.55Å; Q41-F44 PolarHBondContact O-N 3.43Å; Q41-F44 VanDerWaalsContact O-N 3.16Å; F44-W49 HydrophobicContact CD1-CB 3.77Å; F44-W49 HydrophobicContact CE1-CB 3.94Å; F44-C85 HydrophobicContact CZ-CB 4.38Å
45E37Very low35.7Very low137 Ų13791.8 Ų91.864%0.6447%0.47SS*.Hα-helixtrans-68.3-35174-77.7170.2-178.600112Q41Q41-E45 WeakPolarHBondContact O-CB 3.06Å; Q41-E45 VanDerWaalsContact O-CG 3.3Å; Q41-E45 WeakPolarHBondContact O-CG 3.35Å; Q41-E45 PolarHBondContact O-N 2.92Å
46H35.5Very low35Very low158 Ų15896.3 Ų96.373%0.73149%0.494SS*.Hα-helixtrans-90.3-10.9179.8-85-68.6000114.9R42R42-H46 PolarHBondContact O-CD2 3.26Å; R42-H46 PolarHBondContact O-N 2.95Å
47S32Very low34.3Very low23 Ų23100.2 Ų100.216%0.16152%0.518CS..SBendtrans-112.4144.7179.570.40000108.6L43 W49L43-S47 WeakPolarHBondContact O-CB 3.32Å; L43-S47 PolarHBondContact O-N 3.17Å; L43-S47 VanDerWaalsContact O-N 3.13Å; L43-S47 PolarHBondContact O-OG 2.73Å; S47-W49 PolarHBondContact O-N 3.39Å
48T32.7Very low34.5Very low134 Ų13497.8 Ų97.882%0.82251%0.513SS*.SBendtrans-67.523.217846.20000113.8
49W31.7Very low34.4Very low42 Ų4298.1 Ų98.116%0.15953%0.528CS..  trans-90.7117.3-171.6-65.257.1000108.4F44 S47 Q51 T88 Q116 C127 E129F44-W49 HydrophobicContact CD1-CB 3.77Å; F44-W49 HydrophobicContact CE1-CB 3.94Å; S47-W49 PolarHBondContact O-N 3.39Å; W49-Q51 PolarHBondContact O-N 3.49Å; W49-T88 HydrophobicContact CE3-CG2 4.34Å; W49-T88 HydrophobicContact CH2-CG2 4.12Å; W49-T88 HydrophobicContact CZ3-CG2 3.49Å; W49-T88 VanDerWaalsContact CZ3-CG2 3.49Å; W49-Q116 HydrophobicContact CZ2-CB 4.06Å; W49-Q116 HydrophobicContact CZ2-CG 3.94Å; W49-C127 HydrophobicContact CH2-CB 3.99Å; W49-C127 HydrophobicContact CZ2-CB 4.37Å; W49-E129 HydrophobicContact CH2-CG 4.44Å; W49-E129 HydrophobicContact CZ3-CG 4.14Å
50Q28Very low34.2Very low189 Ų18997.5 Ų97.588%0.88353%0.526SS*.  trans-65.4134.1174.3-70-170.3-21.300110.2S52Q50-S52 PolarHBondContact O-N 2.9Å; Q50-S52 VanDerWaalsContact O-N 3.1Å
51Q27.3Very low34.2Very low159 Ų15999.8 Ų99.874%0.74354%0.537SS*.  trans-58.5110.6177.9-174.3178.5-0.100110.3W49W49-Q51 PolarHBondContact O-N 3.49Å
52S26.5Very low34.1Very low57 Ų57102.7 Ų102.740%0.39954%0.543SS..  trans-79.2123.7169.11710000109.2Q50 V54Q50-S52 PolarHBondContact O-N 2.9Å; Q50-S52 VanDerWaalsContact O-N 3.1Å; S52-V54 PolarHBondContact O-N 3.49Å
53S25.9Very low33.6Very low119 Ų11996.2 Ų96.283%0.83253%0.525SS*.SBendtrans-70.126.1-176.552.80000115.5
54V26.6Very low33.4Very low81 Ų8198.1 Ų98.149%0.49153%0.532SS..  trans-121.177.4-174.9-1710000109.8S52S52-V54 PolarHBondContact O-N 3.49Å
55L27.3Very low33.3Very low106 Ų10699.3 Ų99.356%0.55554%0.538SS*.  trans-99.795.6169.4-85.4160.1000109.1E37E37-L55 HydrophobicContact CG-CD1 4.19Å
56T29.8Very low33.1Very low116 Ų11693.4 Ų93.471%0.71251%0.512SS*.  trans-128.6101.6166.324.70000109.7
57V32.5Very low33Very low121 Ų12189.9 Ų89.973%0.73350%0.503SS*.  trans48.3119.1152-162.90000118.7S59V57-S59 PolarHBondContact O-N 2.66Å
58P43.8Very low33.3Very low73 Ų7391.4 Ų91.447%0.47451%0.509SS..  trans-85.795.6178.933.5-30.1000111.6
59S40.9Very low33.4Very low122 Ų12294.1 Ų94.185%0.85351%0.513SS*.  trans-92.315.1172.747.10000114.5V57V57-S59 PolarHBondContact O-N 2.66Å
60S42.4Very low33.7Very low30 Ų3094.3 Ų94.321%0.2153%0.527CS..  trans-125.633.6-171.3660000116.4R62 K82S60-R62 PolarHBondContact O-N 3.21Å; S60-K82 PolarHBondContact OG-O 2.72Å
61L41.1Very low34.4Very low60 Ų6095.9 Ų95.931%0.31453%0.531SS..  trans-63.3102.8171.1-78.2168000110.8K28 L31 V81K28-L61 HydrophobicContact CG-CD1 3.96Å; L31-L61 HydrophobicContact CD1-CD1 4.14Å; L31-L61 HydrophobicContact CD1-CD2 3.8Å; L61-V81 HydrophobicContact CD2-CB 4.32Å; L61-V81 HydrophobicContact CD2-CG1 3.46Å; L61-V81 VanDerWaalsContact CD2-CG1 3.46Å; L61-V81 HydrophobicContact CD2-CG2 4.24Å
62R37.5Very low34.9Very low161 Ų16194.4 Ų94.461%0.60853%0.528SS*.  trans-110.9116.3171.9-63.5-165.1-172.6-160.26109.8S60 F64S60-R62 PolarHBondContact O-N 3.21Å; R62-F64 HydrophobicContact CB-CD2 4.38Å; R62-F64 HydrophobicContact CB-CE2 3.61Å; R62-F64 HydrophobicContact CB-CZ 3.91Å; R62-F64 WeakPolarHBondContact O-CD2 3.31Å
63C31.7Very low35.3Very low41 Ų41103.8 Ų103.828%0.27756%0.555SS.*  trans-84.7133.6171-68.10000110Q24Q24-C63 WeakPolarHBondContact CG-SG 3.36Å
64F35.5Very low35.8Very low68 Ų68107.1 Ų107.130%0.29855%0.549SS..  trans-117.2124.2175.6-63.7-89.2000109.2R62 L80R62-F64 HydrophobicContact CB-CD2 4.38Å; R62-F64 HydrophobicContact CB-CE2 3.61Å; R62-F64 HydrophobicContact CB-CZ 3.91Å; R62-F64 WeakPolarHBondContact O-CD2 3.31Å; F64-L80 HydrophobicContact CB-CD1 4.2Å; F64-L80 HydrophobicContact CD2-CB 3.95Å; F64-L80 HydrophobicContact CD2-CD1 4.11Å; F64-L80 HydrophobicContact CG-CD1 4.38Å
65E33.2Very low36.3Very low88 Ų88106.4 Ų106.441%0.41155%0.545SS..  trans-91.1138.5171.2-167.9-179.715700109R16R16-E65 VanDerWaalsContact CD-OE1 3.31Å; R16-E65 WeakPolarHBondContact CD-OE1 3.12Å; R16-E65 IonicContact CZ-OE1 3.67Å; R16-E65 IonicContact NE-OE1 3.75Å; R16-E65 IonicContact NH1-OE1 2.9Å; R16-E65 PolarHBondContact NH1-OE1 3.43Å
66T33.1Very low36.8Very low14 Ų14101.5 Ų101.59%0.08652%0.52CS..  trans-132.5118.4169.5125.20000108.3L68 I78T66-L68 PolarHBondContact O-N 2.8Å; T66-I78 HydrophobicContact CG2-CD1 4.48Å
67P34.1Very low37.4Very low84 Ų8498.2 Ų98.255%0.54550%0.496SS..  trans-72.2108.616928.6-30.1000108.4Q69P67-Q69 PolarHBondContact O-N 3.26Å; P67-Q69 VanDerWaalsContact O-N 3.1Å
68L37.2Very low37.9Very low55 Ų5593.3 Ų93.329%0.28847%0.465SS..  trans-70.8104.7166-85.7141.5000109T66 G70 A76 I78 L102T66-L68 PolarHBondContact O-N 2.8Å; L68-G70 PolarHBondContact O-N 3.33Å; L68-A76 HydrophobicContact CD1-CB 3.29Å; L68-I78 HydrophobicContact CD1-CD1 4.45Å; L68-L102 HydrophobicContact CD1-CD1 3.37Å; L68-L102 HydrophobicContact CD1-CD2 4.1Å; L68-L102 HydrophobicContact CD1-CG 4.3Å; L68-L102 HydrophobicContact CD2-CD1 4.14Å; L68-L102 HydrophobicContact CD2-CD2 3.48Å; L68-L102 VanDerWaalsContact CD2-CD2 3.48Å; L68-L102 HydrophobicContact CD2-CG 4.44Å; L68-L102 HydrophobicContact CG-CD1 4.37Å; L68-L102 HydrophobicContact CG-CD2 4.44Å
69Q34.9Very low38Very low191 Ų19190.4 Ų90.489%0.89345%0.446SS*.  trans-78.275.4167.3-71.3-169.64.200109P67P67-Q69 PolarHBondContact O-N 3.26Å; P67-Q69 VanDerWaalsContact O-N 3.1Å
70G38.3Very low38.4Very low45 Ų4585.7 Ų85.746%0.46441%0.411SS..  trans-91.3147.4162.700000110.3L68 N72L68-G70 PolarHBondContact O-N 3.33Å; G70-N72 CarbonylContact O-C 3.31Å; G70-N72 VanDerWaalsContact O-C 3.31Å; G70-N72 PolarHBondContact O-N 2.92Å; G70-N72 VanDerWaalsContact O-O 3.08Å
71K42.8Very low38.8Very low222 Ų22284.7 Ų84.797%0.96540%0.404SS*.SBendtrans-55.3-16.9175.2-78.4179.5176.2175.20113.9
72N38.7Very low39.6Very low128 Ų12882.7 Ų82.768%0.68439%0.393SS*.SBendtrans-99.2121.1162.8-77.7-29.7000108.9G70 R74G70-N72 CarbonylContact O-C 3.31Å; G70-N72 VanDerWaalsContact O-C 3.31Å; G70-N72 PolarHBondContact O-N 2.92Å; G70-N72 VanDerWaalsContact O-O 3.08Å; N72-R74 PolarHBondContact O-N 2.78Å
73R34.8Very low40.3Very low255 Ų25575.7 Ų75.796%0.96237%0.367SS*.  trans-63.249.8176.2-68.4-178174.1171-0.9113.5
74R36Very low41.3Very low188 Ų18879.8 Ų79.871%0.70938%0.38SS*.  trans-97.6100.6168.6-68.5-172.7-178.3-175.40.9107N72 A76N72-R74 PolarHBondContact O-N 2.78Å; R74-A76 PolarHBondContact O-N 2.8Å; R74-A76 VanDerWaalsContact O-N 3.08Å
75T36.6Very low41.6Very low67 Ų6777.3 Ų77.341%0.41137%0.371SS..  trans-62.5106.9169.3-35.90000107.6F77T75-F77 HydrophobicContact CG2-CE1 4.14Å; T75-F77 HydrophobicContact CG2-CE2 4.32Å; T75-F77 HydrophobicContact CG2-CZ 3.93Å
76A38.3Very low42.7Very low3 Ų373.9 Ų73.93%0.02536%0.36CS..  trans-84.8132.4164.300000108.5L68 R74 A97 L102L68-A76 HydrophobicContact CD1-CB 3.29Å; R74-A76 PolarHBondContact O-N 2.8Å; R74-A76 VanDerWaalsContact O-N 3.08Å; A76-A97 HydrophobicContact CB-CB 3.36Å; A76-L102 HydrophobicContact CB-CD1 3.62Å
77F41.3Very low43.3Very low46 Ų4677.3 Ų77.320%0.20238%0.382CS..  trans-98.6131.3171.8-52.1-95.1000107T75 S95 L96T75-F77 HydrophobicContact CG2-CE1 4.14Å; T75-F77 HydrophobicContact CG2-CE2 4.32Å; T75-F77 HydrophobicContact CG2-CZ 3.93Å; F77-S95 CarbonylContact O-C 3.57Å; F77-S95 WeakPolarHBondContact O-CA 3.23Å; F77-L96 HydrophobicContact CB-CB 4.03Å; F77-L96 HydrophobicContact CB-CD1 3.79Å; F77-L96 HydrophobicContact CB-CG 4.41Å; F77-L96 HydrophobicContact CD2-CB 4.13Å; F77-L96 HydrophobicContact CG-CD1 4.42Å; F77-L96 PolarHBondContact O-N 2.95Å
78I44.6Very low43.7Very low18 Ų1874 Ų749%0.09236%0.361CS..EExtended strand (participates in β ladder)trans-115.2113.5174.2-57.7173.3000106.1T66 L68 L80 Q94 A104T66-I78 HydrophobicContact CG2-CD1 4.48Å; L68-I78 HydrophobicContact CD1-CD1 4.45Å; I78-L80 HydrophobicContact CG2-CD2 4.39Å; I78-L80 HydrophobicContact CG2-CG 4.26Å; I78-Q94 WeakPolarHBondContact CA-O 3.37Å; I78-A104 HydrophobicContact CD1-CB 3.56Å
79V45Very low44.4Very low12 Ų1271.6 Ų71.67%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-87.7110172.5179.30000107.6L23 N27 V81 S93 Q94 L96L23-V79 HydrophobicContact CD1-CG2 4.09Å; L23-V79 HydrophobicContact CD2-CG2 4.5Å; N27-V79 WeakPolarHBondContact ND2-CG1 3.45Å; V79-V81 HydrophobicContact CG1-CG2 4.03Å; V79-S93 WeakPolarHBondContact O-CA 3.16Å; V79-Q94 PolarHBondContact N-O 2.05Å; V79-Q94 VanDerWaalsContact N-O 3.13Å; V79-Q94 PolarHBondContact O-N 3.06Å; V79-L96 HydrophobicContact CG2-CD1 4.45Å
80L49Very low45Very low23 Ų2363.2 Ų63.212%0.1231%0.31CS..EExtended strand (participates in β ladder)trans-89.8126169.6-70.5171.1000110.1F64 I78 L92F64-L80 HydrophobicContact CB-CD1 4.2Å; F64-L80 HydrophobicContact CD2-CB 3.95Å; F64-L80 HydrophobicContact CD2-CD1 4.11Å; F64-L80 HydrophobicContact CG-CD1 4.38Å; I78-L80 HydrophobicContact CG2-CD2 4.39Å; I78-L80 HydrophobicContact CG2-CG 4.26Å; L80-L92 CarbonylContact C-O 3.57Å; L80-L92 WeakPolarHBondContact CA-O 3.18Å
81V51.6Low45.8Very low10 Ų1062.2 Ų62.26%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-115.9110.1173.7177.30000108.3L31 L61 V79 I83 C90 F91 L92L31-V81 HydrophobicContact CD1-CG1 4.39Å; L61-V81 HydrophobicContact CD2-CB 4.32Å; L61-V81 HydrophobicContact CD2-CG1 3.46Å; L61-V81 VanDerWaalsContact CD2-CG1 3.46Å; L61-V81 HydrophobicContact CD2-CG2 4.24Å; V79-V81 HydrophobicContact CG1-CG2 4.03Å; V81-I83 HydrophobicContact CG1-CD1 4.26Å; V81-I83 HydrophobicContact CG1-CG1 3.77Å; V81-C90 VanDerWaalsContact O-O 3.08Å; V81-F91 CarbonylContact O-C 3.41Å; V81-F91 VanDerWaalsContact O-CA 3.25Å; V81-F91 WeakPolarHBondContact O-CA 3.45Å; V81-L92 HydrophobicContact CB-CB 4.18Å; V81-L92 HydrophobicContact CB-CD1 4.12Å; V81-L92 HydrophobicContact CG1-CD1 4.2Å; V81-L92 PolarHBondContact N-O 2.89Å; V81-L92 PolarHBondContact O-N 2.79Å
82K57.3Low46.3Very low18 Ų1852.8 Ų52.88%0.07825%0.253CS..EExtended strand (participates in β ladder)trans-83.3113.1172.1-175.1174.6-179.7170.90109.1S60 F89 C90 F91 D132S60-K82 PolarHBondContact OG-O 2.72Å; K82-F89 HydrophobicContact CD-CD1 4.15Å; K82-F89 HydrophobicContact CG-CD1 4.03Å; K82-C90 CarbonylContact C-O 3.53Å; K82-C90 WeakPolarHBondContact CA-O 3.19Å; K82-F91 HydrophobicContact CB-CD1 4.19Å; K82-F91 HydrophobicContact CB-CE1 3.93Å; K82-F91 HydrophobicContact CD-CE1 4.03Å; K82-F91 HydrophobicContact CD-CZ 4.17Å; K82-F91 HydrophobicContact CG-CE1 3.93Å; K82-F91 HydrophobicContact CG-CZ 4.24Å; K82-D132 PolarHBondContact NZ-O 3.15Å; K82-D132 VanDerWaalsContact NZ-O 3.09Å; K82-D132 IonicContact NZ-OD1 2.64Å; K82-D132 PolarHBondContact NZ-OD1 3.16Å; K82-D132 IonicContact NZ-OD2 3.32Å; K82-D132 PolarHBondContact NZ-OD2 3.32Å
83I52.4Low46.9Very low13 Ų1347.1 Ų47.17%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-107.8124.8173.1-53.7-173.4000107.5V36 V81 F89 C90 L92V36-I83 HydrophobicContact CG1-CD1 4.45Å; V81-I83 HydrophobicContact CG1-CD1 4.26Å; V81-I83 HydrophobicContact CG1-CG1 3.77Å; I83-F89 CarbonylContact O-C 3.54Å; I83-F89 VanDerWaalsContact O-CA 3.31Å; I83-F89 WeakPolarHBondContact O-CA 3.06Å; I83-C90 PolarHBondContact N-O 2.77Å; I83-C90 PolarHBondContact O-N 2.83Å; I83-L92 HydrophobicContact CD1-CD1 3.32Å; I83-L92 HydrophobicContact CG1-CD1 3.83Å
84K52.5Low47.7Very low127 Ų12738.4 Ų38.455%0.55219%0.194SC*.EExtended strand (participates in β ladder)trans-88.6123169.4-171.3177.3-178.1178.90108.6G86 F89K84-G86 WeakPolarHBondContact CE-O 3.4Å; K84-F89 HydrophobicContact CB-CD1 3.85Å; K84-F89 HydrophobicContact CB-CE1 3.7Å; K84-F89 HydrophobicContact CD-CE1 3.75Å; K84-F89 HydrophobicContact CD-CZ 3.95Å; K84-F89 HydrophobicContact CG-CD1 3.98Å; K84-F89 HydrophobicContact CG-CE1 3.56Å; K84-F89 HydrophobicContact CG-CZ 4.02Å
85C43.1Very low48.3Very low16 Ų1631 Ų3111%0.10817%0.171CC..EExtended strand (participates in β ladder)trans-12487.1173.7-74.60000108.2F44 T88F44-C85 HydrophobicContact CZ-CB 4.38Å; C85-T88 CarbonylContact C-O 3.54Å; C85-T88 PolarHBondContact N-O 2.76Å; C85-T88 WeakPolarHBondContact O-CB 3.17Å; C85-T88 PolarHBondContact O-N 2.8Å; C85-T88 VanDerWaalsContact O-N 3.11Å
86G55Low48.9Very low17 Ų1731.8 Ų31.818%0.17517%0.172CC..THydrogen-bonded Turntrans63.8-126.4-174.800000112.6K84 T88K84-G86 WeakPolarHBondContact CE-O 3.4Å; G86-T88 PolarHBondContact O-N 3.35Å
87P46.5Very low49.1Very low85 Ų8532.8 Ų32.855%0.55218%0.181SC*.THydrogen-bonded Turntrans-79.50.2175.535.3-35.7000113.3G130P87-G130 PolarHBondContact O-N 2.76Å
88T42.2Very low48.8Very low15 Ų1533.2 Ų33.29%0.09220%0.198CC..EExtended strand (participates in β ladder)trans-107.8140.4-174.8-49.40000109.9W49 C85 G86 C127 C128 E129W49-T88 HydrophobicContact CE3-CG2 4.34Å; W49-T88 HydrophobicContact CH2-CG2 4.12Å; W49-T88 HydrophobicContact CZ3-CG2 3.49Å; W49-T88 VanDerWaalsContact CZ3-CG2 3.49Å; C85-T88 CarbonylContact C-O 3.54Å; C85-T88 PolarHBondContact N-O 2.76Å; C85-T88 WeakPolarHBondContact O-CB 3.17Å; C85-T88 PolarHBondContact O-N 2.8Å; C85-T88 VanDerWaalsContact O-N 3.11Å; G86-T88 PolarHBondContact O-N 3.35Å; T88-C127 HydrophobicContact CG2-CB 4.13Å; T88-C128 CarbonylContact C-O 3.56Å; T88-C128 VanDerWaalsContact CA-O 3.24Å; T88-C128 WeakPolarHBondContact CA-O 3.21Å; T88-C128 WeakPolarHBondContact CG2-O 2.97Å; T88-E129 HydrophobicContact CG2-CG 4.44Å
89F51.1Low48.3Very low4 Ų440.2 Ų40.22%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-115.4132.3168.8-63.6-88.5000110.1K82 I83 K84 C127 C128 G130 D132 C135K82-F89 HydrophobicContact CD-CD1 4.15Å; K82-F89 HydrophobicContact CG-CD1 4.03Å; I83-F89 CarbonylContact O-C 3.54Å; I83-F89 VanDerWaalsContact O-CA 3.31Å; I83-F89 WeakPolarHBondContact O-CA 3.06Å; K84-F89 HydrophobicContact CB-CD1 3.85Å; K84-F89 HydrophobicContact CB-CE1 3.7Å; K84-F89 HydrophobicContact CD-CE1 3.75Å; K84-F89 HydrophobicContact CD-CZ 3.95Å; K84-F89 HydrophobicContact CG-CD1 3.98Å; K84-F89 HydrophobicContact CG-CE1 3.56Å; K84-F89 HydrophobicContact CG-CZ 4.02Å; F89-C127 CarbonylContact O-C 3.56Å; F89-C127 VanDerWaalsContact O-CA 3.22Å; F89-C127 WeakPolarHBondContact O-CA 3.45Å; F89-C128 PolarHBondContact N-O 2.91Å; F89-C128 PolarHBondContact O-N 2.81Å; F89-C128 PolarHBondContact O-SG 2.86Å; F89-C128 VanDerWaalsContact O-SG 3.35Å; F89-G130 WeakPolarHBondContact CD2-O 3.47Å; F89-G130 WeakPolarHBondContact CE2-O 3.35Å; F89-D132 HydrophobicContact CE1-CB 4.45Å; F89-D132 WeakPolarHBondContact CE1-OD2 3.47Å; F89-D132 HydrophobicContact CE2-CB 4.34Å; F89-D132 HydrophobicContact CZ-CB 3.75Å; F89-D132 VanDerWaalsContact CZ-OD2 3.28Å; F89-D132 WeakPolarHBondContact CZ-OD2 3.41Å; F89-C135 HydrophobicContact CB-CB 4.33Å; F89-C135 HydrophobicContact CD2-CB 4.37Å; F89-C135 HydrophobicContact CG-CB 4.49Å
90C49Very low47.7Very low16 Ų1649.7 Ų49.711%0.10827%0.27CS..EExtended strand (participates in β ladder)trans-111.4136.3173.4-66.30000110.1V81 K82 I83 M125 A126 C127V81-C90 VanDerWaalsContact O-O 3.08Å; K82-C90 CarbonylContact C-O 3.53Å; K82-C90 WeakPolarHBondContact CA-O 3.19Å; I83-C90 PolarHBondContact N-O 2.77Å; I83-C90 PolarHBondContact O-N 2.83Å; C90-M125 HydrophobicContact CB-CG 4.49Å; C90-M125 HydrophobicContact CB-SD 4.47Å; C90-A126 CarbonylContact C-O 3.48Å; C90-A126 WeakPolarHBondContact CA-O 3.47Å; C90-C127 HydrophobicContact CB-CB 4.23Å; C90-C127 WeakPolarHBondContact CB-SG 3.14Å; C90-C127 WeakPolarHBondContact SG-CB 3.47Å; C90-C127 CovalentContact SG-SG 2.06Å; C90-C127 PolarHBondContact SG-SG 2.71Å
91F54.9Low46.9Very low23 Ų2355.6 Ų55.610%0.10129%0.29CS..EExtended strand (participates in β ladder)trans-107.9114.8173.5-64.8-86.3000108.3V81 K82 L109 M125 A126 C135V81-F91 CarbonylContact O-C 3.41Å; V81-F91 VanDerWaalsContact O-CA 3.25Å; V81-F91 WeakPolarHBondContact O-CA 3.45Å; K82-F91 HydrophobicContact CB-CD1 4.19Å; K82-F91 HydrophobicContact CB-CE1 3.93Å; K82-F91 HydrophobicContact CD-CE1 4.03Å; K82-F91 HydrophobicContact CD-CZ 4.17Å; K82-F91 HydrophobicContact CG-CE1 3.93Å; K82-F91 HydrophobicContact CG-CZ 4.24Å; F91-L109 HydrophobicContact CE2-CD2 4.3Å; F91-M125 CarbonylContact O-C 3.48Å; F91-M125 VanDerWaalsContact O-CA 3.23Å; F91-M125 WeakPolarHBondContact O-CA 3.24Å; F91-A126 PolarHBondContact N-O 3.01Å; F91-A126 PolarHBondContact O-N 3.38Å; F91-C135 HydrophobicContact CE2-CB 3.79Å; F91-C135 HydrophobicContact CZ-CB 3.77Å; F91-C135 WeakPolarHBondContact CZ-O 3.4Å
92L51.9Low45.9Very low25 Ų2558.1 Ų58.113%0.13130%0.303CS..EExtended strand (participates in β ladder)trans-89.1132.1165.2-62.198.3000109L80 V81 I83 V123 M125L80-L92 CarbonylContact C-O 3.57Å; L80-L92 WeakPolarHBondContact CA-O 3.18Å; V81-L92 HydrophobicContact CB-CB 4.18Å; V81-L92 HydrophobicContact CB-CD1 4.12Å; V81-L92 HydrophobicContact CG1-CD1 4.2Å; V81-L92 PolarHBondContact N-O 2.89Å; V81-L92 PolarHBondContact O-N 2.79Å; I83-L92 HydrophobicContact CD1-CD1 3.32Å; I83-L92 HydrophobicContact CG1-CD1 3.83Å; L92-V123 HydrophobicContact CB-CG1 3.87Å; L92-V123 HydrophobicContact CD2-CG1 3.83Å; L92-V123 HydrophobicContact CG-CG1 4.35Å; L92-M125 HydrophobicContact CD2-CE 3.43Å; L92-M125 VanDerWaalsContact CD2-CE 3.43Å; L92-M125 HydrophobicContact CD2-SD 4.41Å; L92-M125 HydrophobicContact CG-CE 3.75Å; L92-M125 HydrophobicContact CG-CG 4.1Å; L92-M125 HydrophobicContact CG-SD 4.16Å
93S52.9Low44.6Very low9 Ų963.5 Ų63.56%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-121.9125.5173.6830000109.9V79 V123 L124V79-S93 WeakPolarHBondContact O-CA 3.16Å; S93-V123 WeakPolarHBondContact O-CA 3.07Å; S93-L124 PolarHBondContact N-O 2.94Å; S93-L124 PolarHBondContact O-N 2.92Å; S93-L124 WeakPolarHBondContact OG-CB 3.26Å; S93-L124 PolarHBondContact OG-O 2.97Å
94Q50.1Low43.6Very low72 Ų7263.9 Ų63.934%0.33634%0.337SS..EExtended strand (participates in β ladder)trans-119.2122.4172.9-169.3178.322.100109.3I78 V79 V123I78-Q94 WeakPolarHBondContact CA-O 3.37Å; V79-Q94 PolarHBondContact N-O 2.05Å; V79-Q94 VanDerWaalsContact N-O 3.13Å; V79-Q94 PolarHBondContact O-N 3.06Å; Q94-V123 HydrophobicContact CB-CG2 4.48Å; Q94-V123 HydrophobicContact CG-CG2 4.36Å
95S49.8Very low42.6Very low32 Ų3259.1 Ų59.122%0.22432%0.32CS..EExtended strand (participates in β ladder)trans-82.9124.5172.4-178.90000109.7F77 A97F77-S95 CarbonylContact O-C 3.57Å; F77-S95 WeakPolarHBondContact O-CA 3.23Å; S95-A97 PolarHBondContact OG-N 3.34Å
96L48Very low41.9Very low83 Ų8368.5 Ų68.544%0.43535%0.353SS..  trans-94.19.1173.2-69.1159.5000112.7L23 F77 V79L23-L96 HydrophobicContact CD1-CD1 3.81Å; L23-L96 HydrophobicContact CD2-CD1 4.02Å; F77-L96 HydrophobicContact CB-CB 4.03Å; F77-L96 HydrophobicContact CB-CD1 3.79Å; F77-L96 HydrophobicContact CB-CG 4.41Å; F77-L96 HydrophobicContact CD2-CB 4.13Å; F77-L96 HydrophobicContact CG-CD1 4.42Å; F77-L96 PolarHBondContact O-N 2.95Å; V79-L96 HydrophobicContact CG2-CD1 4.45Å
97A43.6Very low40.9Very low25 Ų2568.1 Ų68.121%0.20735%0.348CS..SBendtrans-87.3125.817000000110.4A76 S95 D99A76-A97 HydrophobicContact CB-CB 3.36Å; S95-A97 PolarHBondContact OG-N 3.34Å; A97-D99 PolarHBondContact O-N 3.39Å
98G34.2Very low40.2Very low54 Ų5473.9 Ų73.956%0.55736%0.358SS*.THydrogen-bonded Turntrans-46.4132.6177.200000113.2R100G98-R100 PolarHBondContact O-N 3.35Å
99D33.9Very low39.9Very low166 Ų16673.9 Ų73.989%0.88836%0.358SS*.THydrogen-bonded Turntrans59.5-0.3162.3-50.7-28.2000119.3A97A97-D99 PolarHBondContact O-N 3.39Å
100R32.9Very low39.1Very low210 Ų21077.5 Ų77.579%0.79239%0.389SS*.  trans-129108.5174-70.8-169.8-175.4-169.61.2111.7G98 L102G98-R100 PolarHBondContact O-N 3.35Å; R100-L102 PolarHBondContact O-N 2.74Å
101W32.2Very low38.4Very low147 Ų14778.8 Ų78.856%0.55740%0.398SS*.  trans-5799.6166.2-59.988.4000109.3I103 T119 G122W101-I103 VanDerWaalsContact C-N 3.34Å; W101-I103 PolarHBondContact O-N 3.46Å; W101-T119 HydrophobicContact CE3-CG2 4.29Å; W101-T119 HydrophobicContact CH2-CG2 3.45Å; W101-T119 VanDerWaalsContact CH2-CG2 3.45Å; W101-T119 HydrophobicContact CZ2-CG2 4.47Å; W101-T119 HydrophobicContact CZ3-CG2 3.41Å; W101-T119 VanDerWaalsContact CZ3-CG2 3.41Å; W101-G122 WeakPolarHBondContact CZ3-O 3.21Å
102L30.3Very low37.6Very low63 Ų6389.8 Ų89.833%0.3344%0.439SS..  trans-69.5102.9161.1-93.2136000106.5L68 A76 R100 A104L68-L102 HydrophobicContact CD1-CD1 3.37Å; L68-L102 HydrophobicContact CD1-CD2 4.1Å; L68-L102 HydrophobicContact CD1-CG 4.3Å; L68-L102 HydrophobicContact CD2-CD1 4.14Å; L68-L102 HydrophobicContact CD2-CD2 3.48Å; L68-L102 VanDerWaalsContact CD2-CD2 3.48Å; L68-L102 HydrophobicContact CD2-CG 4.44Å; L68-L102 HydrophobicContact CG-CD1 4.37Å; L68-L102 HydrophobicContact CG-CD2 4.44Å; A76-L102 HydrophobicContact CB-CD1 3.62Å; R100-L102 PolarHBondContact O-N 2.74Å; L102-A104 PolarHBondContact O-N 2.85Å
103I29.9Very low37.1Very low131 Ų13195.4 Ų95.467%0.67246%0.462SS*.  trans-63.575.9162.7-56.9173.7000105.7W101 S105W101-I103 VanDerWaalsContact C-N 3.34Å; W101-I103 PolarHBondContact O-N 3.46Å; I103-S105 PolarHBondContact O-N 3.01Å
104A31.2Very low36.7Very low22 Ų2298.1 Ų98.118%0.18248%0.481CS..  trans-79.179.4172.900000107.4I78 L102I78-A104 HydrophobicContact CD1-CB 3.56Å; L102-A104 PolarHBondContact O-N 2.85Å
105S31.5Very low36.4Very low27 Ų2797.8 Ų97.819%0.18948%0.484CS..  trans87.4122.9134.9-44.40000116I103 A107I103-S105 PolarHBondContact O-N 3.01Å; S105-A107 VanDerWaalsContact C-N 3.27Å; S105-A107 PolarHBondContact O-N 3.35Å
106R29.5Very low36.1Very low213 Ų21399.7 Ų99.780%0.80449%0.489SS*.  trans-40.499.9144-88.1174.4161.5166.3-6.2107.7R108R106-R108 VanDerWaalsContact C-N 3.26Å; R106-R108 PolarHBondContact O-N 3.02Å
107A33.4Very low36.2Very low8 Ų8100.3 Ų100.37%0.06649%0.49CS..  trans-59.2105.7154.700000104.1S105 L109S105-A107 VanDerWaalsContact C-N 3.27Å; S105-A107 PolarHBondContact O-N 3.35Å; A107-L109 HydrophobicContact CB-CD1 3.84Å; A107-L109 HydrophobicContact CB-CD2 4.13Å; A107-L109 HydrophobicContact CB-CG 3.66Å; A107-L109 PolarHBondContact O-N 3.44Å
108R32.3Very low36.1Very low206 Ų206101.7 Ų101.778%0.77749%0.493SS*.  trans-68.276.4160.7-92.5-172178.2176.20.3105.2R106 A110R106-R108 VanDerWaalsContact C-N 3.26Å; R106-R108 PolarHBondContact O-N 3.02Å; R108-A110 PolarHBondContact O-N 2.8Å
109L35Very low36.6Very low16 Ų16103.1 Ų103.18%0.08449%0.491CS..  trans-66.3115.2166.3-67.3161.4000103.6F91 A107 S111 V115 C128 C135F91-L109 HydrophobicContact CE2-CD2 4.3Å; A107-L109 HydrophobicContact CB-CD1 3.84Å; A107-L109 HydrophobicContact CB-CD2 4.13Å; A107-L109 HydrophobicContact CB-CG 3.66Å; A107-L109 PolarHBondContact O-N 3.44Å; L109-S111 PolarHBondContact O-N 2.06Å; L109-V115 HydrophobicContact CB-CG2 4.2Å; L109-V115 HydrophobicContact CD1-CG1 4.12Å; L109-V115 HydrophobicContact CD1-CG2 3.74Å; L109-V115 HydrophobicContact CG-CG2 4.43Å; L109-C128 HydrophobicContact CB-CB 3.87Å; L109-C128 HydrophobicContact CD1-CB 3.23Å; L109-C128 HydrophobicContact CD2-CB 3.35Å; L109-C128 WeakPolarHBondContact CD2-SG 3.41Å; L109-C128 HydrophobicContact CG-CB 3.55Å; L109-C135 VanDerWaalsContact CD2-CA 3.48Å; L109-C135 HydrophobicContact CD2-CB 3.74Å
110A34.1Very low36.9Very low80 Ų8098.9 Ų98.966%0.66147%0.471SS*.SBendtrans-66.59-166.300000113.8R108 L134R108-A110 PolarHBondContact O-N 2.8Å; A110-L134 HydrophobicContact CB-CD2 3.98Å; A110-L134 PolarHBondContact N-O 3.11Å
111S34.5Very low37Very low42 Ų4293 Ų9329%0.29448%0.476SS..SBendtrans-114.6127.1176.1-173.20000110.8L109 K113L109-S111 PolarHBondContact O-N 2.06Å; S111-K113 PolarHBondContact O-N 3.04Å
112R38.5Very low37.6Very low255 Ų25587 Ų8796%0.96246%0.459SS*.SBendtrans-69.132.6-177.9-71.2-178.8169.7-173.6-2.1114.5
113K41.5Very low38.4Very low142 Ų14285.4 Ų85.462%0.61745%0.452SS*.SBendtrans-125.2108.6-178.7-66.7-173178.8-177.70110.4S111S111-K113 PolarHBondContact O-N 3.04Å
114S44.4Very low39.3Very low66 Ų6680 Ų8046%0.46243%0.425SS..  trans35.886.416757.30000117.6Q116S114-Q116 PolarHBondContact O-N 2.71Å
115V44.2Very low40.1Very low66 Ų6679.6 Ų79.640%0.442%0.419SS..  trans-80110.9159.3-176.40000107.9L109L109-V115 HydrophobicContact CB-CG2 4.2Å; L109-V115 HydrophobicContact CD1-CG1 4.12Å; L109-V115 HydrophobicContact CD1-CG2 3.74Å; L109-V115 HydrophobicContact CG-CG2 4.43Å
116Q43.8Very low41Very low71 Ų7178.6 Ų78.633%0.33241%0.413SS..EExtended strand (participates in β ladder)trans-96.7132.1169.2-68.3-166.35.800109.9W49 S114 C127W49-Q116 HydrophobicContact CZ2-CB 4.06Å; W49-Q116 HydrophobicContact CZ2-CG 3.94Å; S114-Q116 PolarHBondContact O-N 2.71Å; Q116-C127 PolarHBondContact O-N 3.41Å
117Q49.3Very low41.7Very low96 Ų9669.3 Ų69.345%0.44938%0.38SS..EExtended strand (participates in β ladder)trans-107124.4173.7-69.6-175.6-32.300108.7M125Q117-M125 VanDerWaalsContact CA-O 3.26Å; Q117-M125 WeakPolarHBondContact CA-O 3.44Å
118L42.1Very low42.3Very low54 Ų5469 Ų6928%0.28338%0.378SS..EExtended strand (participates in β ladder)trans-121.2134.8175-141.786.5000109.1L43 V120 M125L43-L118 HydrophobicContact CD2-CD2 3.64Å; L118-V120 HydrophobicContact CD2-CG2 3.6Å; L118-V120 HydrophobicContact CG-CG2 4.29Å; L118-M125 HydrophobicContact CB-CB 4.39Å; L118-M125 PolarHBondContact N-O 3.47Å; L118-M125 PolarHBondContact O-N 2.94Å
119T45Very low42.7Very low85 Ų8562.9 Ų62.952%0.52136%0.358SS..EExtended strand (participates in β ladder)trans-109.7116.4171.9-55.30000108.5W101 V123W101-T119 HydrophobicContact CE3-CG2 4.29Å; W101-T119 HydrophobicContact CH2-CG2 3.45Å; W101-T119 VanDerWaalsContact CH2-CG2 3.45Å; W101-T119 HydrophobicContact CZ2-CG2 4.47Å; W101-T119 HydrophobicContact CZ3-CG2 3.41Å; W101-T119 VanDerWaalsContact CZ3-CG2 3.41Å; T119-V123 WeakPolarHBondContact CA-O 3.04Å
120V38.4Very low43.4Very low77 Ų7763.2 Ų63.247%0.46737%0.365SS..EExtended strand (participates in β ladder)trans-126.3113.7178.1-1740000108.9L43 L118 G122 V123L43-V120 HydrophobicContact CD2-CG2 4.08Å; L118-V120 HydrophobicContact CD2-CG2 3.6Å; L118-V120 HydrophobicContact CG-CG2 4.29Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 2.66Å; V120-V123 PolarHBondContact N-O 3.43Å; V120-V123 WeakPolarHBondContact O-CB 3.06Å; V120-V123 PolarHBondContact O-N 3.27Å
121G36.6Very low43.8Very low86 Ų8665.2 Ų65.289%0.88736%0.364SS*.THydrogen-bonded Turntrans57.326.1166.900000117.4
122G45.2Very low44.2Very low20 Ų2066.9 Ų66.921%0.20637%0.37CS..THydrogen-bonded Turntrans116.8-12-174.200000114.2W101 V120W101-G122 WeakPolarHBondContact CZ3-O 3.21Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 2.66Å
123V45.7Very low44.4Very low30 Ų3062.1 Ų62.118%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-117.3119.8-165.6-171.10000109.8L92 S93 Q94 T119 V120L92-V123 HydrophobicContact CB-CG1 3.87Å; L92-V123 HydrophobicContact CD2-CG1 3.83Å; L92-V123 HydrophobicContact CG-CG1 4.35Å; S93-V123 WeakPolarHBondContact O-CA 3.07Å; Q94-V123 HydrophobicContact CB-CG2 4.48Å; Q94-V123 HydrophobicContact CG-CG2 4.36Å; T119-V123 WeakPolarHBondContact CA-O 3.04Å; V120-V123 PolarHBondContact N-O 3.43Å; V120-V123 WeakPolarHBondContact O-CB 3.06Å; V120-V123 PolarHBondContact O-N 3.27Å
124L49.6Very low44.4Very low19 Ų1958.2 Ų58.210%0.09934%0.344CS..EExtended strand (participates in β ladder)trans-90124.4173.6-178108.1000108.8S93S93-L124 PolarHBondContact N-O 2.94Å; S93-L124 PolarHBondContact O-N 2.92Å; S93-L124 WeakPolarHBondContact OG-CB 3.26Å; S93-L124 PolarHBondContact OG-O 2.97Å
125M47.2Very low44.3Very low12 Ų1255.4 Ų55.46%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-111.7134.5179.2-154.3169.3-47.600110.9L43 C90 F91 L92 Q117 L118L43-M125 HydrophobicContact CD1-CE 3.27Å; L43-M125 HydrophobicContact CD1-SD 3.52Å; L43-M125 VanDerWaalsContact CD1-SD 3.52Å; L43-M125 HydrophobicContact CD2-CE 3.39Å; L43-M125 HydrophobicContact CD2-SD 3.89Å; L43-M125 HydrophobicContact CG-CE 3.95Å; L43-M125 HydrophobicContact CG-SD 4.28Å; C90-M125 HydrophobicContact CB-CG 4.49Å; C90-M125 HydrophobicContact CB-SD 4.47Å; F91-M125 CarbonylContact O-C 3.48Å; F91-M125 VanDerWaalsContact O-CA 3.23Å; F91-M125 WeakPolarHBondContact O-CA 3.24Å; L92-M125 HydrophobicContact CD2-CE 3.43Å; L92-M125 VanDerWaalsContact CD2-CE 3.43Å; L92-M125 HydrophobicContact CD2-SD 4.41Å; L92-M125 HydrophobicContact CG-CE 3.75Å; L92-M125 HydrophobicContact CG-CG 4.1Å; L92-M125 HydrophobicContact CG-SD 4.16Å; Q117-M125 VanDerWaalsContact CA-O 3.26Å; Q117-M125 WeakPolarHBondContact CA-O 3.44Å; L118-M125 HydrophobicContact CB-CB 4.39Å; L118-M125 PolarHBondContact N-O 3.47Å; L118-M125 PolarHBondContact O-N 2.94Å
126A50.3Low44.2Very low7 Ų758.4 Ų58.46%0.05833%0.334CS..EExtended strand (participates in β ladder)trans-127123.8171.500000109.4C90 F91C90-A126 CarbonylContact C-O 3.48Å; C90-A126 WeakPolarHBondContact CA-O 3.47Å; F91-A126 PolarHBondContact N-O 3.01Å; F91-A126 PolarHBondContact O-N 3.38Å
127C44Very low44.2Very low18 Ų1860.9 Ų60.912%0.12234%0.341CS..EExtended strand (participates in β ladder)trans-107.8138.1175.4-58.10000111.3W49 T88 F89 C90 Q116W49-C127 HydrophobicContact CH2-CB 3.99Å; W49-C127 HydrophobicContact CZ2-CB 4.37Å; T88-C127 HydrophobicContact CG2-CB 4.13Å; F89-C127 CarbonylContact O-C 3.56Å; F89-C127 VanDerWaalsContact O-CA 3.22Å; F89-C127 WeakPolarHBondContact O-CA 3.45Å; C90-C127 HydrophobicContact CB-CB 4.23Å; C90-C127 WeakPolarHBondContact CB-SG 3.14Å; C90-C127 WeakPolarHBondContact SG-CB 3.47Å; C90-C127 CovalentContact SG-SG 2.06Å; C90-C127 PolarHBondContact SG-SG 2.71Å; Q116-C127 PolarHBondContact O-N 3.41Å
128C46.2Very low43.8Very low2 Ų257.4 Ų57.41%0.01433%0.326CS..EExtended strand (participates in β ladder)trans-113.9142.8167.128.40000110.2T88 F89 L109 C135T88-C128 CarbonylContact C-O 3.56Å; T88-C128 VanDerWaalsContact CA-O 3.24Å; T88-C128 WeakPolarHBondContact CA-O 3.21Å; T88-C128 WeakPolarHBondContact CG2-O 2.97Å; F89-C128 PolarHBondContact N-O 2.91Å; F89-C128 PolarHBondContact O-N 2.81Å; F89-C128 PolarHBondContact O-SG 2.86Å; F89-C128 VanDerWaalsContact O-SG 3.35Å; L109-C128 HydrophobicContact CB-CB 3.87Å; L109-C128 HydrophobicContact CD1-CB 3.23Å; L109-C128 HydrophobicContact CD2-CB 3.35Å; L109-C128 WeakPolarHBondContact CD2-SG 3.41Å; L109-C128 HydrophobicContact CG-CB 3.55Å; C128-C135 WeakPolarHBondContact CB-SG 3.3Å; C128-C135 WeakPolarHBondContact SG-CB 3.4Å; C128-C135 CovalentContact SG-SG 2.05Å; C128-C135 PolarHBondContact SG-SG 3.34Å
129E41.8Very low43.6Very low77 Ų7758.7 Ų58.736%0.3634%0.338SS..EExtended strand (participates in β ladder)trans-89.4129.7154.6-61.7-174.2149.600109.7W49 T88W49-E129 HydrophobicContact CH2-CG 4.44Å; W49-E129 HydrophobicContact CZ3-CG 4.14Å; T88-E129 HydrophobicContact CG2-CG 4.44Å
130G48.4Very low43.4Very low22 Ų2259.3 Ų59.323%0.22734%0.337CS..SBendtrans148.8172.2176.100000113.4P87 F89P87-G130 PolarHBondContact O-N 2.76Å; F89-G130 WeakPolarHBondContact CD2-O 3.47Å; F89-G130 WeakPolarHBondContact CE2-O 3.35Å
131D43.6Very low43.2Very low122 Ų12260.1 Ų60.165%0.65235%0.347SS*.  trans-68.5160.4179.3-66.1-65000113.4E133 L134D131-E133 PolarHBondContact O-N 3.01Å; D131-L134 HydrophobicContact CB-CD1 4.04Å; D131-L134 PolarHBondContact O-N 3.24Å
132D43.7Very low43Very low78 Ų7863.5 Ų63.542%0.41734%0.344SS..THydrogen-bonded Turntrans-51.5-31.5-172-151.6-72.5000112.9K82 F89K82-D132 PolarHBondContact NZ-O 3.15Å; K82-D132 VanDerWaalsContact NZ-O 3.09Å; K82-D132 IonicContact NZ-OD1 2.64Å; K82-D132 PolarHBondContact NZ-OD1 3.16Å; K82-D132 IonicContact NZ-OD2 3.32Å; K82-D132 PolarHBondContact NZ-OD2 3.32Å; F89-D132 HydrophobicContact CE1-CB 4.45Å; F89-D132 WeakPolarHBondContact CE1-OD2 3.47Å; F89-D132 HydrophobicContact CE2-CB 4.34Å; F89-D132 HydrophobicContact CZ-CB 3.75Å; F89-D132 VanDerWaalsContact CZ-OD2 3.28Å; F89-D132 WeakPolarHBondContact CZ-OD2 3.41Å
133E41.8Very low42.2Very low155 Ų15570.3 Ų70.372%0.72437%0.371SS*.THydrogen-bonded Turntrans-77.2-26.5177.6-66.5-148.8117.400115.1D131 C135 Q136D131-E133 PolarHBondContact O-N 3.01Å; E133-C135 VanDerWaalsContact C-N 3.29Å; E133-Q136 VanDerWaalsContact O-CG 3.25Å; E133-Q136 WeakPolarHBondContact O-CG 3.43Å; E133-Q136 PolarHBondContact O-NE2 3.1Å
134L40.5Very low41.5Very low59 Ų5975.7 Ų75.731%0.30940%0.403SS..THydrogen-bonded Turntrans-76.6-22.4177.4-81.8115.1000112.3A110 D131 Q136A110-L134 HydrophobicContact CB-CD2 3.98Å; A110-L134 PolarHBondContact N-O 3.11Å; D131-L134 HydrophobicContact CB-CD1 4.04Å; D131-L134 PolarHBondContact O-N 3.24Å; L134-Q136 PolarHBondContact O-N 2.9Å
135C42.2Very low40.6Very low7 Ų784.6 Ų84.65%0.04746%0.459CS..SBendtrans-90.757.2175.9-58.70000111.1F89 F91 L109 C128 E133F89-C135 HydrophobicContact CB-CB 4.33Å; F89-C135 HydrophobicContact CD2-CB 4.37Å; F89-C135 HydrophobicContact CG-CB 4.49Å; F91-C135 HydrophobicContact CE2-CB 3.79Å; F91-C135 HydrophobicContact CZ-CB 3.77Å; F91-C135 WeakPolarHBondContact CZ-O 3.4Å; L109-C135 VanDerWaalsContact CD2-CA 3.48Å; L109-C135 HydrophobicContact CD2-CB 3.74Å; C128-C135 WeakPolarHBondContact CB-SG 3.3Å; C128-C135 WeakPolarHBondContact SG-CB 3.4Å; C128-C135 CovalentContact SG-SG 2.05Å; C128-C135 PolarHBondContact SG-SG 3.34Å; E133-C135 VanDerWaalsContact C-N 3.29Å
136Q42.5Very low40.3Very low130 Ų13088.2 Ų88.261%0.60748%0.479SS*.  trans-81149.3173.3-82173.322.600111.5E133 L134E133-Q136 VanDerWaalsContact O-CG 3.25Å; E133-Q136 WeakPolarHBondContact O-CG 3.43Å; E133-Q136 PolarHBondContact O-NE2 3.1Å; L134-Q136 PolarHBondContact O-N 2.9Å
137R43.8Very low39.8Very low123 Ų12392.5 Ų92.546%0.46450%0.501SS..  trans-41.9134.4-177.4-172.9-178.2-177172.34.3111.3
138P41.8Very low39.5Very low22 Ų2296.6 Ų96.614%0.14352%0.522CS..  trans-55.8135.4170.814-23.4000110.6L140P138-L140 PolarHBondContact O-N 3.47Å
139P37.3Very low39.1Very low82 Ų82102.2 Ų102.253%0.53255%0.552SS.*  trans-61.4132.1168.424.7-30.6000109.1S141P139-S141 PolarHBondContact O-N 3.13Å; P139-S141 VanDerWaalsContact O-N 3.08Å
140L39.9Very low39Very low97 Ų97103.8 Ų103.851%0.50856%0.564SS.*  trans-66.4103.6170-78.9156.8000107.7P138 N142P138-L140 PolarHBondContact O-N 3.47Å; L140-N142 PolarHBondContact O-N 2.76Å
141S34.7Very low38.4Very low95 Ų95109.2 Ų109.266%0.66459%0.586SS**  trans-76107.5165.9-1730000108P139 Q143P139-S141 PolarHBondContact O-N 3.13Å; P139-S141 VanDerWaalsContact O-N 3.08Å; S141-Q143 PolarHBondContact O-N 2.77Å
142N32.5Very low38Very low156 Ų156108.3 Ų108.383%0.83458%0.582SS**  trans-73.642.3173.1-84.4-9.6000112.4L140L140-N142 PolarHBondContact O-N 2.76Å
143Q28.5Very low37.5Very low164 Ų164110.6 Ų110.677%0.76659%0.594SS**  trans-134.393.1178.1-67-162.74.200110.7S141S141-Q143 PolarHBondContact O-N 2.77Å
144V31.9Very low37.2Very low142 Ų142106.9 Ų106.986%0.86158%0.583SS**  trans-123.695.1148-177.10000104.9
145T30.5Very low36.9Very low206 Ų206111.3 Ų111.3100%1.26461%0.608SS**  trans-700153.136.90000109.2

Retrieved 145 of 145 residues in 278.3 ms (Link to these results)