A0A077ZKE3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 87 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
1M36.8Very low52.2Low241 Ų241136.5 Ų136.5100%1.18767%0.671SS**  083.10-73.8179.8-178.800107.2K3M1-K3 PolarHBondContact O-N 3.06Å
2E32.3Very low54.8Low188 Ų188129.3 Ų129.388%0.87964%0.64SS**  trans-75.2110.1170.3-78.9169.599.500107.2T4E2-T4 PolarHBondContact O-N 3.38Å
3K42.4Very low57.1Low204 Ų204126.3 Ų126.389%0.88762%0.624SS**  trans-76.690165.7-80.2-179.3176.9177.90106.5M1 N5M1-K3 PolarHBondContact O-N 3.06Å; K3-N5 PolarHBondContact O-N 3.36Å
4T37.7Very low59Low113 Ų113119.1 Ų119.169%0.69359%0.591SS**  trans-48125.9151.151.70000107.3E2E2-T4 PolarHBondContact O-N 3.38Å
5N47.7Very low60.7Low100 Ų100111.3 Ų111.354%0.53555%0.552SS.*  trans166.876.1149-78.4-8.9000107.2K3 E7K3-N5 PolarHBondContact O-N 3.36Å; N5-E7 PolarHBondContact O-N 3.42Å; N5-E7 VanDerWaalsContact O-N 3.14Å
6D49.5Very low62.2Low174 Ų174116 Ų11693%0.9356%0.561SS**  trans-69.622.2153.1-70.7-75.7000111.5Q8D6-Q8 PolarHBondContact O-N 3.5Å
7E50.3Low63.5Low141 Ų141114.4 Ų114.466%0.65956%0.556SS**SBendtrans-76121163.1-73.1178.99500106.3N5 L9N5-E7 PolarHBondContact O-N 3.42Å; N5-E7 VanDerWaalsContact O-N 3.14Å; E7-L9 PolarHBondContact O-N 3.48Å
8Q56.6Low64.5Low141 Ų141109.1 Ų109.166%0.65953%0.531SS*.  trans-49.690.1174.8-69.7165.419.200109.3D6 K10D6-Q8 PolarHBondContact O-N 3.5Å; Q8-K10 PolarHBondContact O-N 3.47Å; Q8-K10 VanDerWaalsContact O-N 3.16Å
9L63.8Low65.4Low85 Ų85107.8 Ų107.845%0.44552%0.519SS..  trans-58125179.9-85.3161.5000106.9E7 E13 V14E7-L9 PolarHBondContact O-N 3.48Å; L9-E13 HydrophobicContact CD2-CB 4.49Å; L9-E13 WeakPolarHBondContact CD2-OE2 3.08Å; L9-V14 HydrophobicContact CB-CG2 3.89Å
10K78.3Confident66.3Low110 Ų110112.4 Ų112.448%0.47853%0.531SS..  trans-51.2133.5-178.4-77.1164165.5-104.30108.6Q8 T12 E13 V14 E65Q8-K10 PolarHBondContact O-N 3.47Å; Q8-K10 VanDerWaalsContact O-N 3.16Å; K10-T12 PolarHBondContact O-N 2.67Å; K10-E13 HydrophobicContact CB-CB 4.48Å; K10-E13 HydrophobicContact CB-CG 4.31Å; K10-E13 WeakPolarHBondContact O-CA 3.3Å; K10-E13 WeakPolarHBondContact O-CB 3.02Å; K10-E13 PolarHBondContact O-N 3.13Å; K10-V14 PolarHBondContact O-N 3.14Å; K10-E65 HydrophobicContact CB-CG 4.4Å; K10-E65 WeakPolarHBondContact CB-OE1 3.3Å; K10-E65 WeakPolarHBondContact CD-OE1 3.49Å; K10-E65 VanDerWaalsContact CE-OE1 3.3Å; K10-E65 WeakPolarHBondContact CE-OE1 3.26Å; K10-E65 HydrophobicContact CG-CG 4.34Å; K10-E65 WeakPolarHBondContact CG-OE1 3.39Å; K10-E65 IonicContact NZ-OE1 3.73Å; K10-E65 PolarHBondContact NZ-OE1 2.94Å
11P78.9Confident66.9Low5 Ų5110.7 Ų110.73%0.03254%0.536CS..Hα-helixtrans-47.5-39.8-179.8-33.939.5000112.8E13 V14 L15 F37 L41 A64 E65 V68P11-E13 VanDerWaalsContact C-N 3.35Å; P11-E13 PolarHBondContact O-N 3.48Å; P11-V14 WeakPolarHBondContact O-CB 3.38Å; P11-V14 PolarHBondContact O-N 2.68Å; P11-L15 PolarHBondContact O-N 2.69Å; P11-F37 HydrophobicContact CB-CE2 4.22Å; P11-F37 HydrophobicContact CB-CZ 3.82Å; P11-F37 WeakPolarHBondContact O-CE2 3.36Å; P11-L41 HydrophobicContact CB-CD2 3.87Å; P11-L41 HydrophobicContact CG-CD2 3.86Å; P11-A64 HydrophobicContact CB-CB 3.58Å; P11-A64 HydrophobicContact CG-CB 3.84Å; P11-E65 HydrophobicContact CB-CB 4.43Å; P11-E65 HydrophobicContact CG-CB 4.17Å; P11-V68 HydrophobicContact CG-CG2 3.73Å
12T83.3Confident68.5Low49 Ų4999.5 Ų99.530%0.30148%0.483SS..Hα-helixtrans-61-38.3175.6-37.70000113.3K10 R16 A61 E65K10-T12 PolarHBondContact O-N 2.67Å; T12-R16 PolarHBondContact O-N 3.05Å; T12-A61 HydrophobicContact CG2-CB 4.27Å; T12-E65 WeakPolarHBondContact CB-OE2 3.28Å; T12-E65 PolarHBondContact OG1-OE2 3.26Å
13E85.1Confident70Confident91 Ų9197.8 Ų97.843%0.42547%0.474SS..Hα-helixtrans-71.2-38.6174.3-72.7-17213300112.9L9 K10 P11 L15 R16 N17L9-E13 HydrophobicContact CD2-CB 4.49Å; L9-E13 WeakPolarHBondContact CD2-OE2 3.08Å; K10-E13 HydrophobicContact CB-CB 4.48Å; K10-E13 HydrophobicContact CB-CG 4.31Å; K10-E13 WeakPolarHBondContact O-CA 3.3Å; K10-E13 WeakPolarHBondContact O-CB 3.02Å; K10-E13 PolarHBondContact O-N 3.13Å; P11-E13 VanDerWaalsContact C-N 3.35Å; P11-E13 PolarHBondContact O-N 3.48Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 3.32Å; E13-R16 PolarHBondContact O-N 3.45Å; E13-N17 WeakPolarHBondContact O-CB 3.32Å; E13-N17 PolarHBondContact O-N 3.04Å
14V83.8Confident71.1Confident26 Ų2694.2 Ų94.216%0.15847%0.47CS..Hα-helixtrans-57.6-46174.4174.80000109.7L9 K10 P11 R16 N17 M18 F37 R40L9-V14 HydrophobicContact CB-CG2 3.89Å; K10-V14 PolarHBondContact O-N 3.14Å; P11-V14 WeakPolarHBondContact O-CB 3.38Å; P11-V14 PolarHBondContact O-N 2.68Å; V14-R16 PolarHBondContact O-N 3.48Å; V14-N17 PolarHBondContact O-N 3.04Å; V14-M18 HydrophobicContact CG1-CG 4.49Å; V14-M18 HydrophobicContact CG1-SD 4.22Å; V14-M18 WeakPolarHBondContact O-CG 3.46Å; V14-M18 PolarHBondContact O-N 2.94Å; V14-F37 HydrophobicContact CB-CE2 4.44Å; V14-F37 HydrophobicContact CG1-CD2 4.41Å; V14-R40 HydrophobicContact CG1-CB 4.16Å; V14-R40 VanDerWaalsContact CG1-CD 3.5Å; V14-R40 HydrophobicContact CG1-CG 4.5Å
15L84Confident72.5Confident2 Ų295.9 Ų95.91%0.0147%0.474CS..Hα-helixtrans-64.8-41.5179.3-152149.9000111.6P11 E13 N17 M18 R19 F37 L57 A61P11-L15 PolarHBondContact O-N 2.69Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 3.32Å; L15-N17 PolarHBondContact O-N 3.16Å; L15-M18 PolarHBondContact O-N 2.96Å; L15-R19 HydrophobicContact CD2-CG 4.25Å; L15-R19 PolarHBondContact O-N 3.08Å; L15-F37 HydrophobicContact CB-CD2 3.83Å; L15-F37 HydrophobicContact CB-CE2 3.77Å; L15-F37 HydrophobicContact CB-CZ 4.49Å; L15-F37 HydrophobicContact CD1-CB 4.47Å; L15-F37 HydrophobicContact CD1-CD1 3.8Å; L15-F37 HydrophobicContact CD1-CD2 3.64Å; L15-F37 HydrophobicContact CD1-CE1 3.82Å; L15-F37 HydrophobicContact CD1-CE2 3.72Å; L15-F37 HydrophobicContact CD1-CG 3.67Å; L15-F37 HydrophobicContact CD1-CZ 3.77Å; L15-F37 HydrophobicContact CG-CD2 3.86Å; L15-F37 HydrophobicContact CG-CE2 4.15Å; L15-F37 HydrophobicContact CG-CG 4.19Å; L15-L57 HydrophobicContact CD1-CB 4.34Å; L15-L57 HydrophobicContact CD1-CD2 3.27Å; L15-L57 HydrophobicContact CD1-CG 4.42Å; L15-L57 WeakPolarHBondContact CD1-O 3.39Å; L15-L57 HydrophobicContact CD2-CD2 4.19Å; L15-L57 HydrophobicContact CG-CD2 3.91Å; L15-A61 HydrophobicContact CB-CB 4.49Å; L15-A61 HydrophobicContact CD1-CB 3.63Å
16R85.4Confident73.5Confident186 Ų18693.1 Ų93.170%0.70246%0.459SS*.Hα-helixtrans-62.2-43174.8-135.3177.877.4175.81.8112.1T12 E13 V14 R19 R20T12-R16 PolarHBondContact O-N 3.05Å; E13-R16 PolarHBondContact O-N 3.45Å; V14-R16 PolarHBondContact O-N 3.48Å; R16-R19 PolarHBondContact O-N 2.79Å; R16-R20 PolarHBondContact O-N 3.38Å
17N83.4Confident74.4Confident89 Ų8992.5 Ų92.548%0.47645%0.45SS..Hα-helixtrans-65.5-41.8176.1-83.4-30.2000111.8E13 V14 L15 R20 A21E13-N17 WeakPolarHBondContact O-CB 3.32Å; E13-N17 PolarHBondContact O-N 3.04Å; V14-N17 PolarHBondContact O-N 3.04Å; L15-N17 PolarHBondContact O-N 3.16Å; N17-R20 PolarHBondContact O-N 3.06Å; N17-A21 WeakPolarHBondContact O-CB 3.48Å; N17-A21 PolarHBondContact O-N 3.48Å
18M82Confident75.2Confident19 Ų1988.3 Ų88.39%0.09444%0.435CS..Hα-helixtrans-61.2-45.2173.6-73.6178.25000110.8V14 L15 R20 A21 G22 M33 L36 F37 R40V14-M18 HydrophobicContact CG1-CG 4.49Å; V14-M18 HydrophobicContact CG1-SD 4.22Å; V14-M18 WeakPolarHBondContact O-CG 3.46Å; V14-M18 PolarHBondContact O-N 2.94Å; L15-M18 PolarHBondContact O-N 2.96Å; M18-R20 VanDerWaalsContact C-N 3.28Å; M18-R20 PolarHBondContact O-N 3.28Å; M18-A21 PolarHBondContact O-N 3.28Å; M18-G22 WeakPolarHBondContact O-CA 3.31Å; M18-G22 PolarHBondContact O-N 2.87Å; M18-M33 HydrophobicContact CB-CE 3.39Å; M18-M33 HydrophobicContact CB-SD 4.39Å; M18-M33 HydrophobicContact CE-CE 3.96Å; M18-M33 HydrophobicContact CE-CG 4.37Å; M18-M33 HydrophobicContact CE-SD 3.62Å; M18-M33 WeakPolarHBondContact O-CE 3.39Å; M18-L36 HydrophobicContact CE-CB 3.38Å; M18-F37 HydrophobicContact CE-CB 4.17Å; M18-F37 HydrophobicContact SD-CB 4.21Å; M18-F37 HydrophobicContact SD-CD2 4.43Å; M18-R40 VanDerWaalsContact SD-CD 3.59Å
19R82.4Confident75.9Confident84 Ų8487.1 Ų87.132%0.31743%0.433SS..Hα-helixtrans-58.9-42.2176.6-80.5175.676169.55.1111L15 R16 E23 P28 M33 D58L15-R19 HydrophobicContact CD2-CG 4.25Å; L15-R19 PolarHBondContact O-N 3.08Å; R16-R19 PolarHBondContact O-N 2.79Å; R19-E23 VanDerWaalsContact O-CA 3.29Å; R19-E23 WeakPolarHBondContact O-CA 3.41Å; R19-E23 WeakPolarHBondContact O-CB 3.43Å; R19-E23 PolarHBondContact O-N 3.03Å; R19-P28 HydrophobicContact CG-CB 4.32Å; R19-M33 HydrophobicContact CB-CE 4.34Å; R19-M33 HydrophobicContact CG-CE 3.85Å; R19-M33 VanDerWaalsContact N-CE 3.26Å; R19-D58 IonicContact NH1-OD2 2.68Å; R19-D58 PolarHBondContact NH1-OD2 3.49Å
20R81.9Confident76.4Confident199 Ų19984.1 Ų84.175%0.75142%0.423SS*.Hα-helixtrans-67.2-37.4178.1-138.8-178.1-150.9-1534.3113.3R16 N17 M18R16-R20 PolarHBondContact O-N 3.38Å; N17-R20 PolarHBondContact O-N 3.06Å; M18-R20 VanDerWaalsContact C-N 3.28Å; M18-R20 PolarHBondContact O-N 3.28Å
21A80.1Confident76.5Confident78 Ų7884.2 Ų84.265%0.64543%0.433SS*.Hα-helixtrans-78.8-32.917900000112.4N17 M18N17-A21 WeakPolarHBondContact O-CB 3.48Å; N17-A21 PolarHBondContact O-N 3.48Å; M18-A21 PolarHBondContact O-N 3.28Å
22G69.4Low76.6Confident6 Ų689 Ų896%0.06246%0.457CS..Hα-helixtrans-98.81.3-176.300000114M18 T24 L25 L26M18-G22 WeakPolarHBondContact O-CA 3.31Å; M18-G22 PolarHBondContact O-N 2.87Å; G22-T24 PolarHBondContact O-N 3.34Å; G22-L25 PolarHBondContact O-N 2.85Å; G22-L26 PolarHBondContact O-N 2.97Å
23E63.9Low76.5Confident151 Ų15186.7 Ų86.771%0.70644%0.443SS*.THydrogen-bonded Turntrans-55.3-25-175-143.9156-158.200112.8R19R19-E23 VanDerWaalsContact O-CA 3.29Å; R19-E23 WeakPolarHBondContact O-CA 3.41Å; R19-E23 WeakPolarHBondContact O-CB 3.43Å; R19-E23 PolarHBondContact O-N 3.03Å
24T65.8Low76.5Confident129 Ų12985.7 Ų85.779%0.79144%0.438SS*.THydrogen-bonded Turntrans-94.7-16.617853.20000114.8G22G22-T24 PolarHBondContact O-N 3.34Å
25L66.3Low76.4Confident149 Ų14993.1 Ų93.178%0.7846%0.464SS*.THydrogen-bonded Turntrans-123.3-22.3-169-75.7167.1000114G22G22-L25 PolarHBondContact O-N 2.85Å
26L68.4Low76.4Confident42 Ų4296.1 Ų96.122%0.2248%0.479CS..SBendtrans-131130-170.1-63.6174.2000110.1G22 P28 L32 M33 L36G22-L26 PolarHBondContact O-N 2.97Å; L26-P28 WeakPolarHBondContact O-CD 3.33Å; L26-L32 HydrophobicContact CD2-CB 4.37Å; L26-L32 HydrophobicContact CD2-CD2 3.37Å; L26-L32 HydrophobicContact CD2-CG 4.39Å; L26-M33 HydrophobicContact CB-SD 4.07Å; L26-M33 HydrophobicContact CD1-SD 3.68Å; L26-L36 HydrophobicContact CD1-CD1 3.7Å
27H69.1Low76.4Confident160 Ų16087.2 Ų87.274%0.74145%0.446SS*.  trans-59.8125.6167.7-94.2-74.1000108.6N29 G30H27-N29 PolarHBondContact O-N 3.49Å; H27-G30 PolarHBondContact O-N 3.29Å
28P67.9Low76.4Confident53 Ų5383.6 Ų83.634%0.34443%0.426SS..THydrogen-bonded Turntrans-61.1-22.3-173.219.2-30.4000113.4R19 L26R19-P28 HydrophobicContact CG-CB 4.32Å; L26-P28 WeakPolarHBondContact O-CD 3.33Å
29N70.9Confident76.5Confident117 Ų11790.1 Ų90.163%0.62646%0.457SS*.THydrogen-bonded Turntrans-117.825.2174.4-66.5-38.5000112.5H27H27-N29 PolarHBondContact O-N 3.49Å
30G74.7Confident76.5Confident21 Ų2194.2 Ų94.222%0.21647%0.472CS..SBendtrans-80.5150.9176.400000112H27 L32 M33 E34H27-G30 PolarHBondContact O-N 3.29Å; G30-L32 PolarHBondContact O-N 3.42Å; G30-L32 VanDerWaalsContact O-N 3.11Å; G30-M33 VanDerWaalsContact O-CB 3.3Å; G30-M33 WeakPolarHBondContact O-CB 3.35Å; G30-M33 PolarHBondContact O-N 3.11Å; G30-E34 PolarHBondContact O-N 3.06Å
31T79.6Confident76.5Confident112 Ų11285.7 Ų85.769%0.68744%0.441SS*.Hα-helixtrans-56.1-27.3175.228.50000113.7R35T31-R35 PolarHBondContact O-N 3.25Å; T31-R35 VanDerWaalsContact O-N 3.17Å
32L80.7Confident76.4Confident106 Ų10684.8 Ų84.856%0.55543%0.429SS*.Hα-helixtrans-69.3-38.5174.8-153.384000111.9L26 G30 E34 R35 L36L26-L32 HydrophobicContact CD2-CB 4.37Å; L26-L32 HydrophobicContact CD2-CD2 3.37Å; L26-L32 HydrophobicContact CD2-CG 4.39Å; G30-L32 PolarHBondContact O-N 3.42Å; G30-L32 VanDerWaalsContact O-N 3.11Å; L32-E34 VanDerWaalsContact C-N 3.31Å; L32-R35 PolarHBondContact O-N 3.23Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 2.54Å
33M82.6Confident76.9Confident1 Ų194 Ų941%0.00546%0.462CS..Hα-helixtrans-65.9-40.1179.3-161.961.9165.400111M18 R19 L26 G30 L36 F37 L57M18-M33 HydrophobicContact CB-CE 3.39Å; M18-M33 HydrophobicContact CB-SD 4.39Å; M18-M33 HydrophobicContact CE-CE 3.96Å; M18-M33 HydrophobicContact CE-CG 4.37Å; M18-M33 HydrophobicContact CE-SD 3.62Å; M18-M33 WeakPolarHBondContact O-CE 3.39Å; R19-M33 HydrophobicContact CB-CE 4.34Å; R19-M33 HydrophobicContact CG-CE 3.85Å; R19-M33 VanDerWaalsContact N-CE 3.26Å; L26-M33 HydrophobicContact CB-SD 4.07Å; L26-M33 HydrophobicContact CD1-SD 3.68Å; G30-M33 VanDerWaalsContact O-CB 3.3Å; G30-M33 WeakPolarHBondContact O-CB 3.35Å; G30-M33 PolarHBondContact O-N 3.11Å; M33-L36 PolarHBondContact O-N 3.4Å; M33-F37 WeakPolarHBondContact O-CB 3.35Å; M33-F37 PolarHBondContact O-N 3.27Å; M33-L57 HydrophobicContact CB-CD1 4.08Å; M33-L57 HydrophobicContact CG-CD1 4.33Å
34E83.2Confident77.8Confident69 Ų6989.9 Ų89.932%0.32244%0.444SS..Hα-helixtrans-61.1-48.5174.9-167.5-171.7158.800111.6G30 L32 L36 F37 L38 L57 L60G30-E34 PolarHBondContact O-N 3.06Å; L32-E34 VanDerWaalsContact C-N 3.31Å; E34-L36 PolarHBondContact O-N 3.41Å; E34-F37 PolarHBondContact O-N 3.21Å; E34-L38 HydrophobicContact CG-CD1 4.12Å; E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.3Å; E34-L38 VanDerWaalsContact O-CG 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.17Å; E34-L38 PolarHBondContact O-N 2.96Å; E34-L57 HydrophobicContact CB-CD1 3.94Å; E34-L57 HydrophobicContact CB-CG 4.22Å; E34-L57 HydrophobicContact CG-CG 4.37Å; E34-L60 HydrophobicContact CG-CD2 4.07Å
35R83.1Confident78.6Confident183 Ų18383.8 Ų83.869%0.69141%0.407SS*.Hα-helixtrans-60.8-45.2177.2-79.9-175.1-169.9-164.83.1113T31 L32 F37 L38 E39T31-R35 PolarHBondContact O-N 3.25Å; T31-R35 VanDerWaalsContact O-N 3.17Å; L32-R35 PolarHBondContact O-N 3.23Å; R35-F37 VanDerWaalsContact C-N 3.27Å; R35-F37 PolarHBondContact O-N 3Å; R35-L38 PolarHBondContact O-N 3.29Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 PolarHBondContact O-N 3.42Å
36L84Confident79.5Confident64 Ų6479.2 Ų79.234%0.33538%0.381SS..Hα-helixtrans-64.1-36.7178.9-75.3171.2000111.7M18 L26 L32 M33 E34 R40M18-L36 HydrophobicContact CE-CB 3.38Å; L26-L36 HydrophobicContact CD1-CD1 3.7Å; L32-L36 WeakPolarHBondContact O-CG 3.43Å; L32-L36 PolarHBondContact O-N 2.54Å; M33-L36 PolarHBondContact O-N 3.4Å; E34-L36 PolarHBondContact O-N 3.41Å; L36-R40 WeakPolarHBondContact O-CG 3.5Å; L36-R40 PolarHBondContact O-N 3.05Å
37F84.9Confident80.2Confident0 Ų081.8 Ų81.80%039%0.394CS..Hα-helixtrans-66.6-48.5176.6174.5-110.2000110.6P11 V14 L15 M18 M33 E34 R35 E39 R40 L41 L57 L60 A61 A64P11-F37 HydrophobicContact CB-CE2 4.22Å; P11-F37 HydrophobicContact CB-CZ 3.82Å; P11-F37 WeakPolarHBondContact O-CE2 3.36Å; V14-F37 HydrophobicContact CB-CE2 4.44Å; V14-F37 HydrophobicContact CG1-CD2 4.41Å; L15-F37 HydrophobicContact CB-CD2 3.83Å; L15-F37 HydrophobicContact CB-CE2 3.77Å; L15-F37 HydrophobicContact CB-CZ 4.49Å; L15-F37 HydrophobicContact CD1-CB 4.47Å; L15-F37 HydrophobicContact CD1-CD1 3.8Å; L15-F37 HydrophobicContact CD1-CD2 3.64Å; L15-F37 HydrophobicContact CD1-CE1 3.82Å; L15-F37 HydrophobicContact CD1-CE2 3.72Å; L15-F37 HydrophobicContact CD1-CG 3.67Å; L15-F37 HydrophobicContact CD1-CZ 3.77Å; L15-F37 HydrophobicContact CG-CD2 3.86Å; L15-F37 HydrophobicContact CG-CE2 4.15Å; L15-F37 HydrophobicContact CG-CG 4.19Å; M18-F37 HydrophobicContact CE-CB 4.17Å; M18-F37 HydrophobicContact SD-CB 4.21Å; M18-F37 HydrophobicContact SD-CD2 4.43Å; M33-F37 WeakPolarHBondContact O-CB 3.35Å; M33-F37 PolarHBondContact O-N 3.27Å; E34-F37 PolarHBondContact O-N 3.21Å; R35-F37 VanDerWaalsContact C-N 3.27Å; R35-F37 PolarHBondContact O-N 3Å; F37-E39 VanDerWaalsContact C-N 3.34Å; F37-E39 PolarHBondContact O-N 3.39Å; F37-R40 WeakPolarHBondContact O-CB 3.49Å; F37-R40 PolarHBondContact O-N 2.9Å; F37-R40 VanDerWaalsContact O-N 3.08Å; F37-L41 HydrophobicContact CD1-CD1 4.34Å; F37-L41 HydrophobicContact CE1-CD1 3.83Å; F37-L41 HydrophobicContact CE2-CD2 4.45Å; F37-L41 HydrophobicContact CZ-CD1 4.11Å; F37-L41 HydrophobicContact CZ-CD2 4.19Å; F37-L41 HydrophobicContact CZ-CG 4.43Å; F37-L57 HydrophobicContact CB-CD2 4.01Å; F37-L57 HydrophobicContact CD1-CD2 4.1Å; F37-L57 HydrophobicContact CG-CD2 4.15Å; F37-L60 HydrophobicContact CD1-CD2 3.62Å; F37-L60 HydrophobicContact CD1-CG 4.23Å; F37-L60 HydrophobicContact CE1-CD2 3.87Å; F37-L60 HydrophobicContact CE1-CG 3.95Å; F37-A61 HydrophobicContact CE1-CB 4.4Å; F37-A61 HydrophobicContact CZ-CB 3.96Å; F37-A64 HydrophobicContact CZ-CB 4.35Å
38L83.6Confident80.8Confident13 Ų1379 Ų797%0.06838%0.384CS..Hα-helixtrans-59.8-40.1177.2-78.5177.7000112.6E34 R35 R40 L41 F46 L49 L60E34-L38 HydrophobicContact CG-CD1 4.12Å; E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.3Å; E34-L38 VanDerWaalsContact O-CG 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.17Å; E34-L38 PolarHBondContact O-N 2.96Å; R35-L38 PolarHBondContact O-N 3.29Å; L38-R40 PolarHBondContact O-N 2.98Å; L38-L41 HydrophobicContact CD2-CD1 4.31Å; L38-L41 PolarHBondContact O-N 3.24Å; L38-L41 VanDerWaalsContact O-N 3.16Å; L38-F46 HydrophobicContact CB-CD2 3.6Å; L38-F46 HydrophobicContact CB-CE2 3.64Å; L38-F46 HydrophobicContact CD1-CE2 4.23Å; L38-F46 HydrophobicContact CD2-CD2 4.13Å; L38-F46 HydrophobicContact CG-CD2 4.33Å; L38-F46 HydrophobicContact CG-CE2 4.38Å; L38-F46 WeakPolarHBondContact O-CD2 3.41Å; L38-L49 HydrophobicContact CD2-CB 4.11Å; L38-L49 HydrophobicContact CD2-CD1 4.22Å; L38-L60 HydrophobicContact CD2-CD1 4.2Å; L38-L60 HydrophobicContact CD2-CD2 4.13Å; L38-L60 HydrophobicContact CG-CD2 4.28Å
39E85Confident81.6Confident156 Ų15676.5 Ų76.573%0.72937%0.368SS*.Hα-helixtrans-64.5-24.1175.4-88-170.7158.600113.8R35 F37 L41R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 PolarHBondContact O-N 3.42Å; F37-E39 VanDerWaalsContact C-N 3.34Å; F37-E39 PolarHBondContact O-N 3.39Å; E39-L41 VanDerWaalsContact C-N 3.31Å
40R80.9Confident82Confident170 Ų17077.8 Ų77.864%0.64237%0.368SS*.THydrogen-bonded Turntrans-82-10.9176.7-73.2178.6178.2-91.7-2.3113.3V14 M18 L36 F37 L38V14-R40 HydrophobicContact CG1-CB 4.16Å; V14-R40 VanDerWaalsContact CG1-CD 3.5Å; V14-R40 HydrophobicContact CG1-CG 4.5Å; M18-R40 VanDerWaalsContact SD-CD 3.59Å; L36-R40 WeakPolarHBondContact O-CG 3.5Å; L36-R40 PolarHBondContact O-N 3.05Å; F37-R40 WeakPolarHBondContact O-CB 3.49Å; F37-R40 PolarHBondContact O-N 2.9Å; F37-R40 VanDerWaalsContact O-N 3.08Å; L38-R40 PolarHBondContact O-N 2.98Å
41L82.6Confident82.2Confident19 Ų1981 Ų8110%0.09939%0.393CS..SBendtrans-85.8151.6-178.7-64.9175.2000112P11 F37 L38 E39 R43 I45 L49 A64P11-L41 HydrophobicContact CB-CD2 3.87Å; P11-L41 HydrophobicContact CG-CD2 3.86Å; F37-L41 HydrophobicContact CD1-CD1 4.34Å; F37-L41 HydrophobicContact CE1-CD1 3.83Å; F37-L41 HydrophobicContact CE2-CD2 4.45Å; F37-L41 HydrophobicContact CZ-CD1 4.11Å; F37-L41 HydrophobicContact CZ-CD2 4.19Å; F37-L41 HydrophobicContact CZ-CG 4.43Å; L38-L41 HydrophobicContact CD2-CD1 4.31Å; L38-L41 PolarHBondContact O-N 3.24Å; L38-L41 VanDerWaalsContact O-N 3.16Å; E39-L41 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.02Å; L41-I45 HydrophobicContact CD1-CG2 4.2Å; L41-L49 HydrophobicContact CD1-CD1 3.36Å; L41-A64 HydrophobicContact CD1-CB 3.85Å; L41-A64 HydrophobicContact CD2-CB 4.14Å
42P77.4Confident81.8Confident60 Ų6078.7 Ų78.739%0.3938%0.38SS..  trans-51.5139.3167.2-27.336.6000111.6N44 I45 F46P42-N44 WeakPolarHBondContact CB-OD1 3.21Å; P42-N44 PolarHBondContact O-N 3.24Å; P42-N44 VanDerWaalsContact O-N 3.16Å; P42-I45 HydrophobicContact CB-CD1 4.38Å; P42-I45 HydrophobicContact CB-CG1 4.35Å; P42-I45 HydrophobicContact CG-CD1 4.24Å; P42-I45 PolarHBondContact O-N 3.38Å; P42-F46 PolarHBondContact O-N 2.84Å
43R80.9Confident81.4Confident200 Ų20080.7 Ų80.776%0.75540%0.397SS*.Hα-helixtrans-58.7-33.6-170.4-166.7174.1-161.7-103.52113.6L41 L47L41-R43 PolarHBondContact O-N 3.02Å; R43-L47 WeakPolarHBondContact O-CG 3.29Å; R43-L47 PolarHBondContact O-N 3.41Å
44N81.6Confident80.9Confident63 Ų6382.9 Ų82.934%0.33741%0.407SS..Hα-helixtrans-60.5-47.6173.153.5-23000111.3P42 L47 L48 D71P42-N44 WeakPolarHBondContact CB-OD1 3.21Å; P42-N44 PolarHBondContact O-N 3.24Å; P42-N44 VanDerWaalsContact O-N 3.16Å; N44-L47 PolarHBondContact O-N 3.3Å; N44-L48 WeakPolarHBondContact O-CG 3.34Å; N44-L48 PolarHBondContact O-N 2.94Å; N44-D71 PolarHBondContact ND2-OD1 3.16Å; N44-D71 VanDerWaalsContact ND2-OD1 3.12Å; N44-D71 PolarHBondContact ND2-OD2 3.29Å
45I83.4Confident80.6Confident1 Ų189.2 Ų89.21%0.00544%0.436CS..Hα-helixtrans-70.3-42.1-179.6-58.7-174.9000111.1L41 P42 L47 L48 L49 A64 L67 V68L41-I45 HydrophobicContact CD1-CG2 4.2Å; P42-I45 HydrophobicContact CB-CD1 4.38Å; P42-I45 HydrophobicContact CB-CG1 4.35Å; P42-I45 HydrophobicContact CG-CD1 4.24Å; P42-I45 PolarHBondContact O-N 3.38Å; I45-L47 VanDerWaalsContact C-N 3.27Å; I45-L47 PolarHBondContact O-N 2.84Å; I45-L48 PolarHBondContact O-N 2.84Å; I45-L49 HydrophobicContact CG2-CD1 3.67Å; I45-L49 HydrophobicContact CG2-CG 4.08Å; I45-L49 WeakPolarHBondContact O-CB 3.05Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.32Å; I45-A64 HydrophobicContact CG2-CB 4.11Å; I45-L67 HydrophobicContact CD1-CB 4.08Å; I45-L67 HydrophobicContact CG1-CB 4.06Å; I45-L67 HydrophobicContact CG2-CB 4.05Å; I45-L67 HydrophobicContact CG2-CD1 4.01Å; I45-V68 HydrophobicContact CD1-CB 3.89Å; I45-V68 HydrophobicContact CD1-CG2 3.15Å
46F84.3Confident80.5Confident53 Ų5383 Ų8323%0.23242%0.421CS..Hα-helixtrans-52.1-46.4174170.9-92.7000112.2L38 P42 K50L38-F46 HydrophobicContact CB-CD2 3.6Å; L38-F46 HydrophobicContact CB-CE2 3.64Å; L38-F46 HydrophobicContact CD1-CE2 4.23Å; L38-F46 HydrophobicContact CD2-CD2 4.13Å; L38-F46 HydrophobicContact CG-CD2 4.33Å; L38-F46 HydrophobicContact CG-CE2 4.38Å; L38-F46 WeakPolarHBondContact O-CD2 3.41Å; P42-F46 PolarHBondContact O-N 2.84Å; F46-K50 HydrophobicContact CE1-CD 3.81Å; F46-K50 HydrophobicContact CZ-CD 3.78Å; F46-K50 VanDerWaalsContact O-CB 3.23Å; F46-K50 WeakPolarHBondContact O-CB 3.41Å; F46-K50 PolarHBondContact O-N 2.78Å
47L82.9Confident80.4Confident96 Ų9680.6 Ų80.650%0.50341%0.408SS..Hα-helixtrans-67-40.2-178.6-75.7169.5000112.3R43 N44 I45 A51R43-L47 WeakPolarHBondContact O-CG 3.29Å; R43-L47 PolarHBondContact O-N 3.41Å; N44-L47 PolarHBondContact O-N 3.3Å; I45-L47 VanDerWaalsContact C-N 3.27Å; I45-L47 PolarHBondContact O-N 2.84Å; L47-A51 PolarHBondContact O-N 3.5Å
48L83.1Confident80.4Confident101 Ų10184.2 Ų84.253%0.52943%0.428SS..Hα-helixtrans-65.8-45.1177.5-69.9172.8000111.3N44 I45 A51 C52 L67N44-L48 WeakPolarHBondContact O-CG 3.34Å; N44-L48 PolarHBondContact O-N 2.94Å; I45-L48 PolarHBondContact O-N 2.84Å; L48-A51 PolarHBondContact O-N 2.82Å; L48-C52 PolarHBondContact O-N 3.12Å; L48-L67 HydrophobicContact CB-CD1 3.86Å; L48-L67 HydrophobicContact CD1-CD1 4.05Å; L48-L67 HydrophobicContact CD1-CD2 3.85Å
49L83.2Confident80.4Confident1 Ų185.9 Ų85.91%0.00544%0.443CS..Hα-helixtrans-65.7-46.8178.3-67.9174.4000111.1L38 L41 I45 A51 C52 H54 L60 H63 A64 L67L38-L49 HydrophobicContact CD2-CB 4.11Å; L38-L49 HydrophobicContact CD2-CD1 4.22Å; L41-L49 HydrophobicContact CD1-CD1 3.36Å; I45-L49 HydrophobicContact CG2-CD1 3.67Å; I45-L49 HydrophobicContact CG2-CG 4.08Å; I45-L49 WeakPolarHBondContact O-CB 3.05Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.32Å; L49-A51 PolarHBondContact O-N 2.87Å; L49-C52 WeakPolarHBondContact O-CA 3.47Å; L49-C52 PolarHBondContact O-N 2.95Å; L49-H54 PolarHBondContact O-CE1 2.73Å; L49-H54 PolarHBondContact O-NE2 3.16Å; L49-L60 HydrophobicContact CB-CD1 3.69Å; L49-L60 HydrophobicContact CD1-CD1 3.82Å; L49-L60 HydrophobicContact CD1-CG 4.4Å; L49-L60 HydrophobicContact CD2-CD1 3.85Å; L49-L60 HydrophobicContact CG-CD1 3.97Å; L49-H63 HydrophobicContact CD2-CB 3.92Å; L49-A64 HydrophobicContact CD1-CB 3.54Å; L49-L67 HydrophobicContact CD2-CD1 3.97Å; L49-L67 HydrophobicContact CG-CD1 4.19Å
50K80.6Confident80.4Confident145 Ų14578.5 Ų78.563%0.6341%0.409SS*.Hα-helixtrans-58-22.3179-169.3174.5179.5177.80114F46F46-K50 HydrophobicContact CE1-CD 3.81Å; F46-K50 HydrophobicContact CZ-CD 3.78Å; F46-K50 VanDerWaalsContact O-CB 3.23Å; F46-K50 WeakPolarHBondContact O-CB 3.41Å; F46-K50 PolarHBondContact O-N 2.78Å
51A78.9Confident80.7Confident88 Ų8870.4 Ų70.473%0.72738%0.378SS*.Hα-helixtrans-84.8-17.517500000113.7L47 L48 L49L47-A51 PolarHBondContact O-N 3.5Å; L48-A51 PolarHBondContact O-N 2.82Å; L49-A51 PolarHBondContact O-N 2.87Å
52C71.5Confident80.9Confident63 Ų6372.1 Ų72.143%0.42640%0.396SS..SBendtrans-89.8147.5175-98.80000111.2L48 L49 H54L48-C52 PolarHBondContact O-N 3.12Å; L49-C52 WeakPolarHBondContact O-CA 3.47Å; L49-C52 PolarHBondContact O-N 2.95Å; C52-H54 WeakPolarHBondContact CB-CE1 3.39Å; C52-H54 PolarHBondContact O-CE1 3.38Å; C52-H54 VanDerWaalsContact O-CE1 3.26Å; C52-H54 PolarHBondContact O-NE2 3.31Å; C52-H54 VanDerWaalsContact O-NE2 3.08Å
53V70.6Confident81.2Confident149 Ų14973.5 Ų73.590%0.90340%0.397SS*.  trans-88.8127.4167.9179.40000107.2
54H73.7Confident81.4Confident46 Ų4664 Ų6421%0.21336%0.361CS..  trans-116.2136.1-179.6-30.1-74000109.8L49 C52 S56 L60L49-H54 PolarHBondContact O-CE1 2.73Å; L49-H54 PolarHBondContact O-NE2 3.16Å; C52-H54 WeakPolarHBondContact CB-CE1 3.39Å; C52-H54 PolarHBondContact O-CE1 3.38Å; C52-H54 VanDerWaalsContact O-CE1 3.26Å; C52-H54 PolarHBondContact O-NE2 3.31Å; C52-H54 VanDerWaalsContact O-NE2 3.08Å; H54-S56 VanDerWaalsContact C-N 3.34Å; H54-L60 HydrophobicContact CB-CB 4.22Å; H54-L60 VanDerWaalsContact CD2-CD1 3.42Å; H54-L60 WeakPolarHBondContact CD2-CD1 3.39Å; H54-L60 WeakPolarHBondContact CE1-CD1 3.35Å; H54-L60 WeakPolarHBondContact NE2-CD1 3.31Å
55E75.7Confident81.5Confident202 Ų20262.8 Ų62.894%0.94435%0.353SS*.SBendtrans-74-27.9176.6-66.4-175.5163.300112.4
56S81Confident81.6Confident53 Ų5367.8 Ų67.837%0.37138%0.377SS..  trans-154.9159-179.966.20000112.4H54 D58 A59 L60H54-S56 VanDerWaalsContact C-N 3.34Å; S56-D58 VanDerWaalsContact C-N 3.26Å; S56-D58 PolarHBondContact O-N 3.47Å; S56-A59 PolarHBondContact O-N 3.46Å; S56-A59 PolarHBondContact OG-N 3.08Å; S56-L60 PolarHBondContact O-N 3.09Å
57L82.5Confident81.4Confident13 Ų1367.3 Ų67.37%0.06838%0.376CS..Hα-helixtrans-59.9-34.4174.1-115.2147.4000112.3L15 M33 E34 F37 L60 A61L15-L57 HydrophobicContact CD1-CB 4.34Å; L15-L57 HydrophobicContact CD1-CD2 3.27Å; L15-L57 HydrophobicContact CD1-CG 4.42Å; L15-L57 WeakPolarHBondContact CD1-O 3.39Å; L15-L57 HydrophobicContact CD2-CD2 4.19Å; L15-L57 HydrophobicContact CG-CD2 3.91Å; M33-L57 HydrophobicContact CB-CD1 4.08Å; M33-L57 HydrophobicContact CG-CD1 4.33Å; E34-L57 HydrophobicContact CB-CD1 3.94Å; E34-L57 HydrophobicContact CB-CG 4.22Å; E34-L57 HydrophobicContact CG-CG 4.37Å; F37-L57 HydrophobicContact CB-CD2 4.01Å; F37-L57 HydrophobicContact CD1-CD2 4.1Å; F37-L57 HydrophobicContact CG-CD2 4.15Å; L57-L60 HydrophobicContact CD2-CD2 4.35Å; L57-L60 WeakPolarHBondContact O-CB 3.36Å; L57-L60 PolarHBondContact O-N 3.49Å; L57-A61 PolarHBondContact O-N 3.27Å
58D84Confident81.4Confident76 Ų7663.9 Ų63.941%0.40636%0.359SS..Hα-helixtrans-67.8-40.9176.1-82.5-51.9000111.6R19 S56 L60 A61 A62R19-D58 IonicContact NH1-OD2 2.68Å; R19-D58 PolarHBondContact NH1-OD2 3.49Å; S56-D58 VanDerWaalsContact C-N 3.26Å; S56-D58 PolarHBondContact O-N 3.47Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-A61 WeakPolarHBondContact O-CB 3.47Å; D58-A61 PolarHBondContact O-N 3.42Å; D58-A62 PolarHBondContact O-N 3.38Å; D58-A62 VanDerWaalsContact O-N 3.08Å
59A84.8Confident81Confident48 Ų4865.3 Ų65.340%0.39736%0.363SS..Hα-helixtrans-64.3-40.7174.500000111.6S56 A61 A62 H63S56-A59 PolarHBondContact O-N 3.46Å; S56-A59 PolarHBondContact OG-N 3.08Å; A59-A61 VanDerWaalsContact C-N 3.3Å; A59-A61 PolarHBondContact O-N 3.27Å; A59-A62 PolarHBondContact O-N 3.37Å; A59-H63 PolarHBondContact O-N 3.43Å; A59-H63 VanDerWaalsContact O-N 3.09Å
60L85.5Confident80.5Confident1 Ų169.6 Ų69.61%0.00539%0.385CS..Hα-helixtrans-57.6-42.6172.7174.378.1000111.5E34 F37 L38 L49 H54 S56 L57 D58 H63 A64E34-L60 HydrophobicContact CG-CD2 4.07Å; F37-L60 HydrophobicContact CD1-CD2 3.62Å; F37-L60 HydrophobicContact CD1-CG 4.23Å; F37-L60 HydrophobicContact CE1-CD2 3.87Å; F37-L60 HydrophobicContact CE1-CG 3.95Å; L38-L60 HydrophobicContact CD2-CD1 4.2Å; L38-L60 HydrophobicContact CD2-CD2 4.13Å; L38-L60 HydrophobicContact CG-CD2 4.28Å; L49-L60 HydrophobicContact CB-CD1 3.69Å; L49-L60 HydrophobicContact CD1-CD1 3.82Å; L49-L60 HydrophobicContact CD1-CG 4.4Å; L49-L60 HydrophobicContact CD2-CD1 3.85Å; L49-L60 HydrophobicContact CG-CD1 3.97Å; H54-L60 HydrophobicContact CB-CB 4.22Å; H54-L60 VanDerWaalsContact CD2-CD1 3.42Å; H54-L60 WeakPolarHBondContact CD2-CD1 3.39Å; H54-L60 WeakPolarHBondContact CE1-CD1 3.35Å; H54-L60 WeakPolarHBondContact NE2-CD1 3.31Å; S56-L60 PolarHBondContact O-N 3.09Å; L57-L60 HydrophobicContact CD2-CD2 4.35Å; L57-L60 WeakPolarHBondContact O-CB 3.36Å; L57-L60 PolarHBondContact O-N 3.49Å; D58-L60 VanDerWaalsContact C-N 3.34Å; L60-H63 PolarHBondContact O-N 3.21Å; L60-A64 WeakPolarHBondContact O-CB 3.31Å; L60-A64 PolarHBondContact O-N 3.24Å
61A86.8Confident80Confident0 Ų066 Ų660%037%0.373CS..Hα-helixtrans-63.6-45.6178.800000112.7T12 L15 F37 L57 D58 A59 H63 A64 E65T12-A61 HydrophobicContact CG2-CB 4.27Å; L15-A61 HydrophobicContact CB-CB 4.49Å; L15-A61 HydrophobicContact CD1-CB 3.63Å; F37-A61 HydrophobicContact CE1-CB 4.4Å; F37-A61 HydrophobicContact CZ-CB 3.96Å; L57-A61 PolarHBondContact O-N 3.27Å; D58-A61 WeakPolarHBondContact O-CB 3.47Å; D58-A61 PolarHBondContact O-N 3.42Å; A59-A61 VanDerWaalsContact C-N 3.3Å; A59-A61 PolarHBondContact O-N 3.27Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 2.97Å; A61-A64 WeakPolarHBondContact O-CB 3.46Å; A61-A64 PolarHBondContact O-N 2.9Å; A61-E65 PolarHBondContact O-N 2.89Å
62A86.3Confident79.2Confident56 Ų5663.6 Ų63.646%0.46335%0.349SS..Hα-helixtrans-61.5-43.2178.500000111.3D58 A59 E65 E66D58-A62 PolarHBondContact O-N 3.38Å; D58-A62 VanDerWaalsContact O-N 3.08Å; A59-A62 PolarHBondContact O-N 3.37Å; A62-E65 PolarHBondContact O-N 3.08Å; A62-E66 PolarHBondContact O-N 3.43Å; A62-E66 VanDerWaalsContact O-N 3.11Å
63H83.4Confident78.6Confident89 Ų8963.8 Ų63.841%0.41235%0.351SS..Hα-helixtrans-67-38.8175.7-118.129.5000112.6L49 A59 L60 A61 E65 E66 L67L49-H63 HydrophobicContact CD2-CB 3.92Å; A59-H63 PolarHBondContact O-N 3.43Å; A59-H63 VanDerWaalsContact O-N 3.09Å; L60-H63 PolarHBondContact O-N 3.21Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 2.97Å; H63-E65 PolarHBondContact O-N 3.2Å; H63-E66 IonicContact CE1-OE2 3.42Å; H63-E66 IonicContact ND1-OE2 3.27Å; H63-E66 PolarHBondContact ND1-OE2 2.93Å; H63-E66 PolarHBondContact O-N 3.26Å; H63-L67 VanDerWaalsContact O-CG 3.31Å; H63-L67 WeakPolarHBondContact O-CG 3.33Å; H63-L67 PolarHBondContact O-N 3.43Å
64A85Confident77.8Confident0 Ų060.7 Ų60.70%033%0.332CS..Hα-helixtrans-58.8-41.917400000110.9P11 F37 L41 I45 L49 L60 A61 L67 V68P11-A64 HydrophobicContact CB-CB 3.58Å; P11-A64 HydrophobicContact CG-CB 3.84Å; F37-A64 HydrophobicContact CZ-CB 4.35Å; L41-A64 HydrophobicContact CD1-CB 3.85Å; L41-A64 HydrophobicContact CD2-CB 4.14Å; I45-A64 HydrophobicContact CG2-CB 4.11Å; L49-A64 HydrophobicContact CD1-CB 3.54Å; L60-A64 WeakPolarHBondContact O-CB 3.31Å; L60-A64 PolarHBondContact O-N 3.24Å; A61-A64 WeakPolarHBondContact O-CB 3.46Å; A61-A64 PolarHBondContact O-N 2.9Å; A64-L67 PolarHBondContact O-N 3.03Å; A64-V68 WeakPolarHBondContact O-CG2 3.4Å; A64-V68 PolarHBondContact O-N 2.93Å
65E84.8Confident76.8Confident38 Ų3861 Ų6118%0.17834%0.343CS..Hα-helixtrans-65.8-43.4-179.4-170.9163.7171.200112.2K10 P11 T12 A61 A62 H63 L67 V68 E69K10-E65 HydrophobicContact CB-CG 4.4Å; K10-E65 WeakPolarHBondContact CB-OE1 3.3Å; K10-E65 WeakPolarHBondContact CD-OE1 3.49Å; K10-E65 VanDerWaalsContact CE-OE1 3.3Å; K10-E65 WeakPolarHBondContact CE-OE1 3.26Å; K10-E65 HydrophobicContact CG-CG 4.34Å; K10-E65 WeakPolarHBondContact CG-OE1 3.39Å; K10-E65 IonicContact NZ-OE1 3.73Å; K10-E65 PolarHBondContact NZ-OE1 2.94Å; P11-E65 HydrophobicContact CB-CB 4.43Å; P11-E65 HydrophobicContact CG-CB 4.17Å; T12-E65 WeakPolarHBondContact CB-OE2 3.28Å; T12-E65 PolarHBondContact OG1-OE2 3.26Å; A61-E65 PolarHBondContact O-N 2.89Å; A62-E65 PolarHBondContact O-N 3.08Å; H63-E65 PolarHBondContact O-N 3.2Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.29Å; E65-V68 PolarHBondContact O-N 3.03Å; E65-E69 PolarHBondContact O-N 2.89Å
66E84.4Confident75.5Confident106 Ų10658.2 Ų58.250%0.49533%0.328SS..Hα-helixtrans-58.2-43.3172.6-173.6178.3-172.700111.4A62 H63 E69 I70A62-E66 PolarHBondContact O-N 3.43Å; A62-E66 VanDerWaalsContact O-N 3.11Å; H63-E66 IonicContact CE1-OE2 3.42Å; H63-E66 IonicContact ND1-OE2 3.27Å; H63-E66 PolarHBondContact ND1-OE2 2.93Å; H63-E66 PolarHBondContact O-N 3.26Å; E66-E69 PolarHBondContact O-N 2.94Å; E66-I70 HydrophobicContact CG-CD1 4.3Å; E66-I70 VanDerWaalsContact O-CG1 3.3Å; E66-I70 WeakPolarHBondContact O-CG1 3.37Å; E66-I70 PolarHBondContact O-N 3.45Å
67L81.7Confident73.8Confident42 Ų4262.1 Ų62.122%0.2234%0.34CS..Hα-helixtrans-66.7-38.5177.2-70173.7000113I45 L48 L49 H63 A64 E65 E69 I70 D71I45-L67 HydrophobicContact CD1-CB 4.08Å; I45-L67 HydrophobicContact CG1-CB 4.06Å; I45-L67 HydrophobicContact CG2-CB 4.05Å; I45-L67 HydrophobicContact CG2-CD1 4.01Å; L48-L67 HydrophobicContact CB-CD1 3.86Å; L48-L67 HydrophobicContact CD1-CD1 4.05Å; L48-L67 HydrophobicContact CD1-CD2 3.85Å; L49-L67 HydrophobicContact CD2-CD1 3.97Å; L49-L67 HydrophobicContact CG-CD1 4.19Å; H63-L67 VanDerWaalsContact O-CG 3.31Å; H63-L67 WeakPolarHBondContact O-CG 3.33Å; H63-L67 PolarHBondContact O-N 3.43Å; A64-L67 PolarHBondContact O-N 3.03Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 3.29Å; L67-E69 VanDerWaalsContact C-N 3.29Å; L67-I70 PolarHBondContact O-N 3.42Å; L67-D71 WeakPolarHBondContact O-CB 3.38Å; L67-D71 PolarHBondContact O-N 3.38Å
68V80.9Confident72Confident25 Ų2565.3 Ų65.315%0.15236%0.363CS..Hα-helixtrans-61-44173.5172.60000109.6P11 I45 A64 E65 I70 D71 V72P11-V68 HydrophobicContact CG-CG2 3.73Å; I45-V68 HydrophobicContact CD1-CB 3.89Å; I45-V68 HydrophobicContact CD1-CG2 3.15Å; A64-V68 WeakPolarHBondContact O-CG2 3.4Å; A64-V68 PolarHBondContact O-N 2.93Å; E65-V68 PolarHBondContact O-N 3.03Å; V68-I70 VanDerWaalsContact C-N 3.31Å; V68-I70 PolarHBondContact O-N 3.44Å; V68-D71 PolarHBondContact O-N 3.35Å; V68-V72 HydrophobicContact CG1-CG2 4.24Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.42Å; V68-V72 PolarHBondContact O-N 3.03Å
69E76.2Confident70.3Confident130 Ų13068.2 Ų68.261%0.60738%0.378SS*.Hα-helixtrans-65.2-36.4-177.7-156.4169.1-152.700111.9E65 E66 L67 S73E65-E69 PolarHBondContact O-N 2.89Å; E66-E69 PolarHBondContact O-N 2.94Å; L67-E69 VanDerWaalsContact C-N 3.29Å; E69-S73 VanDerWaalsContact O-CB 3.32Å; E69-S73 WeakPolarHBondContact O-CB 3.18Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.08Å
70I72.5Confident68.4Low92 Ų9270.1 Ų70.147%0.47239%0.388SS..Hα-helixtrans-67-44.6173.2-64.1162.9000111.2E66 L67 V68 V72 S73 T74E66-I70 HydrophobicContact CG-CD1 4.3Å; E66-I70 VanDerWaalsContact O-CG1 3.3Å; E66-I70 WeakPolarHBondContact O-CG1 3.37Å; E66-I70 PolarHBondContact O-N 3.45Å; L67-I70 PolarHBondContact O-N 3.42Å; V68-I70 VanDerWaalsContact C-N 3.31Å; V68-I70 PolarHBondContact O-N 3.44Å; I70-V72 PolarHBondContact O-N 3.22Å; I70-S73 WeakPolarHBondContact O-CB 3.23Å; I70-S73 PolarHBondContact O-N 2.88Å; I70-S73 VanDerWaalsContact O-N 3.13Å; I70-T74 WeakPolarHBondContact O-CG2 3.36Å; I70-T74 PolarHBondContact O-N 3.25Å; I70-T74 PolarHBondContact O-OG1 3.46Å
71D70.2Confident66.6Low70 Ų7077.6 Ų77.637%0.37442%0.423SS..Hα-helixtrans-64.2-39.4-179.9-161.848.1000112.1N44 L67 V68 S73 T74 A75N44-D71 PolarHBondContact ND2-OD1 3.16Å; N44-D71 VanDerWaalsContact ND2-OD1 3.12Å; N44-D71 PolarHBondContact ND2-OD2 3.29Å; L67-D71 WeakPolarHBondContact O-CB 3.38Å; L67-D71 PolarHBondContact O-N 3.38Å; V68-D71 PolarHBondContact O-N 3.35Å; D71-S73 VanDerWaalsContact C-N 3.31Å; D71-S73 PolarHBondContact O-N 3.04Å; D71-T74 PolarHBondContact O-OG1 2.86Å; D71-A75 WeakPolarHBondContact O-CB 3.36Å; D71-A75 PolarHBondContact O-N 3.2Å; D71-A75 VanDerWaalsContact O-N 3.08Å
72V60.8Low64.9Low37 Ų3781.8 Ų81.822%0.22446%0.458CS..Hα-helixtrans-67.3-34.7173.5173.60000111.3V68 I70 K76V68-V72 HydrophobicContact CG1-CG2 4.24Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.42Å; V68-V72 PolarHBondContact O-N 3.03Å; I70-V72 PolarHBondContact O-N 3.22Å; V72-K76 HydrophobicContact CG1-CD 4.26Å; V72-K76 WeakPolarHBondContact O-CG 3.48Å; V72-K76 PolarHBondContact O-N 3.26Å
73S58.8Low63Low67 Ų6787.2 Ų87.247%0.46947%0.474SS..Hα-helixtrans-71.7-37.3179.6-61.60000112.4E69 I70 D71 K76 H77E69-S73 VanDerWaalsContact O-CB 3.32Å; E69-S73 WeakPolarHBondContact O-CB 3.18Å; E69-S73 PolarHBondContact O-N 2.92Å; E69-S73 PolarHBondContact O-OG 3.08Å; I70-S73 WeakPolarHBondContact O-CB 3.23Å; I70-S73 PolarHBondContact O-N 2.88Å; I70-S73 VanDerWaalsContact O-N 3.13Å; D71-S73 VanDerWaalsContact C-N 3.31Å; D71-S73 PolarHBondContact O-N 3.04Å; S73-K76 PolarHBondContact O-N 2.86Å; S73-H77 PolarHBondContact O-N 3.35Å
74T55.4Low61.1Low83 Ų8388.5 Ų88.551%0.50949%0.491SS..Hα-helixtrans-72-33.7174.455.40000112.1I70 D71 H77 S78I70-T74 WeakPolarHBondContact O-CG2 3.36Å; I70-T74 PolarHBondContact O-N 3.25Å; I70-T74 PolarHBondContact O-OG1 3.46Å; D71-T74 PolarHBondContact O-OG1 2.86Å; T74-H77 PolarHBondContact O-N 3.11Å; T74-S78 PolarHBondContact O-OG 2.9Å
75A51.8Low59.2Low52 Ų5299.9 Ų99.943%0.4353%0.534SS..Hα-helixtrans-67.5-35.417300000113.1D71 S78D71-A75 WeakPolarHBondContact O-CB 3.36Å; D71-A75 PolarHBondContact O-N 3.2Å; D71-A75 VanDerWaalsContact O-N 3.08Å; A75-S78 PolarHBondContact O-N 2.81Å; A75-S78 PolarHBondContact O-OG 2.97Å
76K48Very low57.5Low145 Ų145105 Ų10563%0.6357%0.568SS**Hα-helixtrans-69.6-32.3176.5-76.8174.1-178.1169.50112.9V72 S73 S78 S80V72-K76 HydrophobicContact CG1-CD 4.26Å; V72-K76 WeakPolarHBondContact O-CG 3.48Å; V72-K76 PolarHBondContact O-N 3.26Å; S73-K76 PolarHBondContact O-N 2.86Å; K76-S78 VanDerWaalsContact C-N 3.28Å; K76-S78 PolarHBondContact O-N 3.45Å; K76-S80 PolarHBondContact O-N 3.32Å
77H46.3Very low56.2Low135 Ų135110.4 Ų110.463%0.62561%0.609SS**Hα-helixtrans-68.8-29.4179.4-132.9-76.4000112.7S73 T74S73-H77 PolarHBondContact O-N 3.35Å; T74-H77 PolarHBondContact O-N 3.11Å
78S44.6Very low54.9Low79 Ų79113.8 Ų113.855%0.55263%0.628SS**Hα-helixtrans-82.7-20-179.140.10000114.3T74 A75 K76T74-S78 PolarHBondContact O-OG 2.9Å; A75-S78 PolarHBondContact O-N 2.81Å; A75-S78 PolarHBondContact O-OG 2.97Å; K76-S78 VanDerWaalsContact C-N 3.28Å; K76-S78 PolarHBondContact O-N 3.45Å
79L48.5Very low53.5Low138 Ų138118.5 Ų118.572%0.72365%0.653SS**Hα-helixtrans-82.1-25.3171.5-78.6165000113E81L79-E81 PolarHBondContact O-N 3.17Å
80S44.7Very low52.3Low88 Ų88117.8 Ų117.862%0.61566%0.656SS**Hα-helixtrans-76.3-18.5-179.8-172.90000114K76K76-S80 PolarHBondContact O-N 3.32Å
81E47.8Very low51.1Low158 Ų158119.4 Ų119.474%0.73867%0.666SS**SBendtrans-90.6-11.3-177.4-73.8-171.8133.500114.2L79L79-E81 PolarHBondContact O-N 3.17Å
82A50.4Low49.9Very low88 Ų88122.4 Ų122.473%0.72769%0.685SS**SBendtrans-87.9-6.4-179.500000114.8
83Q45.9Very low49.2Very low170 Ų170128.1 Ų128.179%0.79472%0.715SS**SBendtrans-91.5-4.2-170.9-154.483.849.100114.9
84C45.3Very low48.5Very low115 Ų115132.5 Ų132.578%0.77773%0.733SS**SBendtrans-117.935.2-169.8-73.40000115.7
85R43.7Very low47.9Very low239 Ų239136.3 Ų136.390%0.90275%0.75SS**  trans-138.273.1170.4-72.3-170.4178.4-1740.6112.3
86T50.4Low47.6Very low146 Ų146143.3 Ų143.390%0.89678%0.777SS**  trans-15693.1155-15.20000109.7
87T56Low47.6Very low219 Ų219143.2 Ų143.2100%1.34479%0.79SS**  trans-141.10157.547.10000107.3

Retrieved 87 of 87 residues in 637.6 ms (Link to these results)