A0A077ZER7_TRITR Loading...

LIM:homeobox protein Awh

AlphaFold DB , UniProt , Accession A0A077ZER7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37Very low53.5Low241 Ų241125.1 Ų125.1100%1.18766%0.655SS**  01030-73.1173.7174.300108.1K3M1-K3 PolarHBondContact O-N 3.21Å
2M31.7Very low56.4Low192 Ų192120.3 Ų120.395%0.94663%0.634SS**  trans-73.1110.4173.1-65.3-177-153.400107.2Q4M2-Q4 VanDerWaalsContact C-N 3.29Å; M2-Q4 PolarHBondContact O-N 3.43Å
3K33.3Very low58.6Low197 Ų197114.5 Ų114.586%0.85762%0.621SS**  trans-62.5100.5165.4-75.1179.4175.1179.60105.6M1 Q5M1-K3 PolarHBondContact O-N 3.21Å; K3-Q5 PolarHBondContact O-N 2.98Å
4Q34.2Very low60.7Low166 Ų166110.5 Ų110.578%0.77661%0.605SS**  trans-49.4117.3161.9-76.9171.4-12.800105.5M2 L6M2-Q4 VanDerWaalsContact C-N 3.29Å; M2-Q4 PolarHBondContact O-N 3.43Å; Q4-L6 HydrophobicContact CB-CD1 4.45Å; Q4-L6 WeakPolarHBondContact O-CD1 3.33Å; Q4-L6 PolarHBondContact O-N 3.28Å
5Q39.1Very low62.2Low191 Ų191106.5 Ų106.589%0.89360%0.6SS**  trans-64.191.7171.1-77.1154.5-36.700105.7K3 G7K3-Q5 PolarHBondContact O-N 2.98Å; Q5-G7 PolarHBondContact O-N 3.39Å
6L43.6Very low63.5Low136 Ų136106.5 Ų106.571%0.71260%0.598SS**  trans-62102.8172.1-87.788.8000106.6Q4 G8Q4-L6 HydrophobicContact CB-CD1 4.45Å; Q4-L6 WeakPolarHBondContact O-CD1 3.33Å; Q4-L6 PolarHBondContact O-N 3.28Å; L6-G8 PolarHBondContact O-N 3.47Å
7G54.4Low64.5Low68 Ų68104.7 Ų104.770%0.70159%0.586SS**  trans-66.788.6-170.300000113.2Q5Q5-G7 PolarHBondContact O-N 3.39Å
8G66.2Low65.2Low26 Ų2699.6 Ų99.627%0.26856%0.557SS.*PPolyproline II helixtrans-83.5147162.400000111.2L6L6-G8 PolarHBondContact O-N 3.47Å
9M79.4Confident65.5Low88 Ų8899.8 Ų99.843%0.43355%0.552SS.*PPolyproline II helixtrans-79.4127.2174.6-73.1173.5-75.700109.4I18 L23 T30M9-I18 PolarHBondContact O-N 3.17Å; M9-L23 HydrophobicContact CB-CD2 4.32Å; M9-L23 HydrophobicContact CE-CD2 3.13Å; M9-L23 HydrophobicContact CG-CD2 4.45Å; M9-L23 HydrophobicContact SD-CD2 3.32Å; M9-L23 WeakPolarHBondContact SD-CD2 3.32Å; M9-T30 HydrophobicContact CB-CG2 4.24Å; M9-T30 HydrophobicContact CG-CG2 4.25Å; M9-T30 HydrophobicContact SD-CG2 3.97Å
10V82.4Confident65.9Low71 Ų7197.7 Ų97.743%0.4354%0.539SS..BIsolated β-bridgetrans-98.7136.9-177.6178.70000108.8G15 L17 T30V10-G15 VanDerWaalsContact CG1-O 3.23Å; V10-G15 WeakPolarHBondContact CG1-O 3.37Å; V10-L17 HydrophobicContact CG2-CD2 3.84Å; V10-T30 PolarHBondContact O-OG1 2.69Å
11C87.4Confident66.1Low0 Ų098.3 Ų98.30%053%0.534CS..PPolyproline II helixtrans-75.5125.3174.1-178.90000110.5G13 G15 D16 I18 T30 H32 C35C11-G13 VanDerWaalsContact C-N 3.25Å; C11-G13 PolarHBondContact O-N 2.72Å; C11-G13 PolarHBondContact SG-N 3.38Å; C11-G13 VanDerWaalsContact SG-N 3.37Å; C11-G15 WeakPolarHBondContact O-CA 3.48Å; C11-G15 PolarHBondContact O-N 3.25Å; C11-D16 WeakPolarHBondContact CB-O 3.44Å; C11-D16 PolarHBondContact N-O 3.45Å; C11-I18 HydrophobicContact CB-CD1 4.1Å; C11-I18 HydrophobicContact CB-CG1 3.8Å; C11-T30 VanDerWaalsContact CA-O 3.3Å; C11-T30 WeakPolarHBondContact CA-O 3.25Å; C11-H32 WeakPolarHBondContact CB-CE1 3.28Å; C11-H32 WeakPolarHBondContact CB-ND1 3.46Å; C11-H32 PolarHBondContact SG-N 2.91Å; C11-H32 VanDerWaalsContact SG-N 3.39Å; C11-H32 PolarHBondContact SG-ND1 2.93Å; C11-C35 WeakPolarHBondContact SG-CB 3.43Å
12V87.8Confident67.9Low67 Ų6789.3 Ų89.341%0.40649%0.488SS..THydrogen-bonded Turntrans-66-30.7175.6176.70000112.2E29 T30 W31V12-E29 HydrophobicContact CG2-CB 3.67Å; V12-E29 HydrophobicContact CG2-CG 3.89Å; V12-E29 WeakPolarHBondContact CG2-OE2 3.49Å; V12-T30 PolarHBondContact N-O 3.02Å; V12-W31 HydrophobicContact CB-CD2 4.41Å; V12-W31 HydrophobicContact CB-CE3 4.49Å; V12-W31 HydrophobicContact CB-CH2 3.88Å; V12-W31 HydrophobicContact CB-CZ2 3.78Å; V12-W31 HydrophobicContact CB-CZ3 4.25Å; V12-W31 HydrophobicContact CG1-CH2 3.7Å; V12-W31 HydrophobicContact CG1-CZ2 3.81Å; V12-W31 HydrophobicContact CG1-CZ3 4.39Å
13G85.4Confident70.5Confident45 Ų4580.3 Ų80.346%0.46444%0.444SS..THydrogen-bonded Turntrans-72.4-32.8-176.800000115C11C11-G13 VanDerWaalsContact C-N 3.25Å; C11-G13 PolarHBondContact O-N 2.72Å; C11-G13 PolarHBondContact SG-N 3.38Å; C11-G13 VanDerWaalsContact SG-N 3.37Å
14C88.4Confident73Confident59 Ų5971.2 Ų71.240%0.39940%0.404SS..THydrogen-bonded Turntrans-123.7-11.3-179.870.50000114.7D16 H32C14-D16 PolarHBondContact O-N 3.14Å; C14-D16 VanDerWaalsContact SG-CB 3.59Å; C14-D16 PolarHBondContact SG-N 3.05Å; C14-D16 VanDerWaalsContact SG-N 3.42Å; C14-D16 PolarHBondContact SG-OD2 3.28Å; C14-H32 PolarHBondContact SG-CE1 3.13Å; C14-H32 PolarHBondContact SG-ND1 3.36Å
15G83.5Confident75.4Confident51 Ų5166.8 Ų66.853%0.52638%0.384SS..SBendtrans78.4-3.9-176.200000114.8V10 C11V10-G15 VanDerWaalsContact CG1-O 3.23Å; V10-G15 WeakPolarHBondContact CG1-O 3.37Å; C11-G15 WeakPolarHBondContact O-CA 3.48Å; C11-G15 PolarHBondContact O-N 3.25Å
16D82.4Confident77.6Confident106 Ų10657.8 Ų57.857%0.56734%0.342SS*.SBendtrans-85.7158.1179.2-61.4-53000112.6C11 C14C11-D16 WeakPolarHBondContact CB-O 3.44Å; C11-D16 PolarHBondContact N-O 3.45Å; C14-D16 PolarHBondContact O-N 3.14Å; C14-D16 VanDerWaalsContact SG-CB 3.59Å; C14-D16 PolarHBondContact SG-N 3.05Å; C14-D16 VanDerWaalsContact SG-N 3.42Å; C14-D16 PolarHBondContact SG-OD2 3.28Å
17L80.2Confident79.5Confident76 Ų7653.7 Ų53.740%0.39832%0.321SS..BIsolated β-bridgetrans-64.3140.1171.9-69.9168.8000111.4V10 F19 H32V10-L17 HydrophobicContact CG2-CD2 3.84Å; L17-F19 HydrophobicContact CB-CD2 4.19Å; L17-F19 HydrophobicContact CB-CE1 4.37Å; L17-F19 HydrophobicContact CB-CE2 3.55Å; L17-F19 HydrophobicContact CB-CZ 3.65Å; L17-F19 HydrophobicContact CD1-CE2 4.31Å; L17-F19 HydrophobicContact CD1-CZ 3.74Å; L17-F19 HydrophobicContact CG-CZ 4.37Å; L17-F19 WeakPolarHBondContact O-CD2 3.35Å; L17-F19 PolarHBondContact O-N 3.11Å; L17-H32 PolarHBondContact O-NE2 3.25Å
18I77.7Confident80.8Confident12 Ų1258.4 Ų58.46%0.06232%0.324CS..  trans-84.7100.3176.8-55.3169.9000109.4M9 C11 D20 L23 H32 A90M9-I18 PolarHBondContact O-N 3.17Å; C11-I18 HydrophobicContact CB-CD1 4.1Å; C11-I18 HydrophobicContact CB-CG1 3.8Å; I18-D20 HydrophobicContact CG2-CB 4.02Å; I18-L23 HydrophobicContact CD1-CB 4.03Å; I18-L23 HydrophobicContact CG2-CB 3.88Å; I18-H32 WeakPolarHBondContact CA-NE2 3.22Å; I18-A90 HydrophobicContact CG2-CB 4.25Å
19F70.8Confident81.8Confident104 Ų10461.3 Ų61.346%0.45633%0.331SS..  trans-96.6-1.6172.2-61.6-69.8000113.4L17L17-F19 HydrophobicContact CB-CD2 4.19Å; L17-F19 HydrophobicContact CB-CE1 4.37Å; L17-F19 HydrophobicContact CB-CE2 3.55Å; L17-F19 HydrophobicContact CB-CZ 3.65Å; L17-F19 HydrophobicContact CD1-CE2 4.31Å; L17-F19 HydrophobicContact CD1-CZ 3.74Å; L17-F19 HydrophobicContact CG-CZ 4.37Å; L17-F19 WeakPolarHBondContact O-CD2 3.35Å; L17-F19 PolarHBondContact O-N 3.11Å
20D72.3Confident82.2Confident58 Ų5857.8 Ų57.831%0.3131%0.314SS..SBendtrans-57155.9176.6-69.3-10.8000110.3I18 F22 H32 A90I18-D20 HydrophobicContact CG2-CB 4.02Å; D20-F22 VanDerWaalsContact CB-O 3.23Å; D20-F22 WeakPolarHBondContact CB-O 3.2Å; D20-F22 PolarHBondContact O-N 3.42Å; D20-H32 IonicContact OD2-CD2 3.82Å; D20-H32 PolarHBondContact OD2-CD2 2.71Å; D20-H32 VanDerWaalsContact OD2-CD2 3.26Å; D20-H32 IonicContact OD2-CG 3.45Å; D20-A90 WeakPolarHBondContact O-CB 3.42Å
21R71.9Confident82.5Confident110 Ų11055 Ų5542%0.41530%0.296SS..SBendtrans-61.9-24.1173.7-176.4173174163.7-4.3112.3A90 V98R21-A90 PolarHBondContact O-N 3.5Å; R21-V98 HydrophobicContact CG-CG2 3.63Å
22F74.7Confident82.6Confident53 Ų5356 Ų5623%0.23230%0.301CS..  trans-139.2142.6-177-50.1-77000109.1D20 L87 A88 V89 V120D20-F22 VanDerWaalsContact CB-O 3.23Å; D20-F22 WeakPolarHBondContact CB-O 3.2Å; D20-F22 PolarHBondContact O-N 3.42Å; F22-L87 HydrophobicContact CB-CD1 3.66Å; F22-L87 HydrophobicContact CB-CG 4.49Å; F22-L87 HydrophobicContact CG-CD1 4.28Å; F22-A88 CarbonylContact C-O 3.51Å; F22-A88 WeakPolarHBondContact CA-O 3.31Å; F22-V89 HydrophobicContact CD1-CB 4.5Å; F22-V89 HydrophobicContact CD1-CG2 4.03Å; F22-V89 HydrophobicContact CE1-CG2 4.04Å; F22-V120 HydrophobicContact CZ-CG2 4.42Å
23L84.5Confident82.6Confident3 Ų354.3 Ų54.32%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-114.9154.3168.265.989.2000109.4M9 I18 Q25 T30 A88 A90M9-L23 HydrophobicContact CB-CD2 4.32Å; M9-L23 HydrophobicContact CE-CD2 3.13Å; M9-L23 HydrophobicContact CG-CD2 4.45Å; M9-L23 HydrophobicContact SD-CD2 3.32Å; M9-L23 WeakPolarHBondContact SD-CD2 3.32Å; I18-L23 HydrophobicContact CD1-CB 4.03Å; I18-L23 HydrophobicContact CG2-CB 3.88Å; L23-Q25 HydrophobicContact CD1-CB 4.34Å; L23-T30 HydrophobicContact CD1-CG2 3.84Å; L23-T30 HydrophobicContact CD2-CG2 4.48Å; L23-A88 HydrophobicContact CD1-CB 3.77Å; L23-A88 HydrophobicContact CG-CB 4.05Å; L23-A88 PolarHBondContact N-O 3.5Å; L23-A88 PolarHBondContact O-N 3.43Å; L23-A88 VanDerWaalsContact O-O 3.04Å; L23-A90 HydrophobicContact CB-CB 3.97Å; L23-A90 HydrophobicContact CD2-CB 3.77Å; L23-A90 HydrophobicContact CG-CB 4.08Å
24L86.2Confident82.6Confident5 Ų558.9 Ų58.93%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-102.8138.9171.2-58.1174.9000108.6T30 W31 A33 L36 D46 V85 R86 L87L24-T30 CarbonylContact O-C 3.59Å; L24-T30 WeakPolarHBondContact O-CA 3.31Å; L24-W31 HydrophobicContact CB-CB 4.37Å; L24-W31 PolarHBondContact N-O 2.9Å; L24-W31 PolarHBondContact O-N 3.32Å; L24-A33 HydrophobicContact CD1-CB 4.37Å; L24-L36 HydrophobicContact CB-CD2 4.25Å; L24-L36 HydrophobicContact CD1-CB 3.89Å; L24-L36 HydrophobicContact CD1-CD2 3.63Å; L24-L36 HydrophobicContact CD1-CG 4.4Å; L24-D46 HydrophobicContact CD1-CB 3.49Å; L24-D46 VanDerWaalsContact CD1-CB 3.49Å; L24-V85 HydrophobicContact CB-CG1 4.35Å; L24-V85 HydrophobicContact CD1-CG1 4.41Å; L24-V85 HydrophobicContact CD2-CG1 3.99Å; L24-V85 HydrophobicContact CG-CG1 4.49Å; L24-R86 CarbonylContact C-O 3.54Å; L24-R86 WeakPolarHBondContact CA-O 3.32Å; L24-L87 HydrophobicContact CD2-CB 4.4Å; L24-L87 HydrophobicContact CD2-CD1 3.57Å
25Q85Confident82.8Confident74 Ų7457.8 Ų57.835%0.34630%0.296SS..EExtended strand (participates in β ladder)trans-117.6125.9174.7-161.4179.425.600110.5L23 Q28 E29 T30 R86L23-Q25 HydrophobicContact CD1-CB 4.34Å; Q25-Q28 PolarHBondContact NE2-O 2.8Å; Q25-Q28 VanDerWaalsContact NE2-O 3.13Å; Q25-E29 CarbonylContact C-O 3.58Å; Q25-E29 VanDerWaalsContact CA-O 3.26Å; Q25-E29 WeakPolarHBondContact CA-O 3.45Å; Q25-E29 WeakPolarHBondContact CG-O 3.45Å; Q25-T30 HydrophobicContact CG-CG2 4.41Å; Q25-R86 HydrophobicContact CB-CB 4.48Å; Q25-R86 PolarHBondContact N-O 3.48Å; Q25-R86 PolarHBondContact O-N 3.4Å; Q25-R86 VanDerWaalsContact O-N 3.11Å
26V85.1Confident83.2Confident1 Ų155.4 Ų55.41%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-138.4127.2179.9176.30000107.9Q28 E29 L36 C51 F53 V58 F83 V85V26-Q28 VanDerWaalsContact C-N 3.26Å; V26-Q28 PolarHBondContact O-N 3.02Å; V26-E29 PolarHBondContact N-O 2.85Å; V26-E29 WeakPolarHBondContact O-CB 3.38Å; V26-E29 PolarHBondContact O-N 3.5Å; V26-L36 HydrophobicContact CB-CD1 4.39Å; V26-L36 HydrophobicContact CG2-CD1 3.83Å; V26-L36 HydrophobicContact CG2-CD2 3.94Å; V26-C51 WeakPolarHBondContact CG1-SG 3.36Å; V26-F53 HydrophobicContact CG1-CD2 4.44Å; V26-V58 HydrophobicContact CG1-CG1 4.2Å; V26-F83 HydrophobicContact CG1-CB 3.96Å; V26-V85 HydrophobicContact CG2-CB 4.49Å; V26-V85 HydrophobicContact CG2-CG1 4.41Å; V26-V85 HydrophobicContact CG2-CG2 4.11Å
27N83.8Confident83.7Confident51 Ų5155.4 Ų55.427%0.27326%0.263SS..THydrogen-bonded Turntrans48.444.3-176.8-167.734.8000113.9E29 F53 F83N27-E29 PolarHBondContact O-N 3.34Å; N27-F53 HydrophobicContact CB-CB 4.36Å; N27-F53 HydrophobicContact CB-CD1 4.09Å; N27-F53 HydrophobicContact CB-CD2 4.08Å; N27-F53 HydrophobicContact CB-CE1 4.36Å; N27-F53 HydrophobicContact CB-CE2 4.35Å; N27-F53 HydrophobicContact CB-CG 3.93Å; N27-F53 HydrophobicContact CB-CZ 4.45Å; N27-F53 WeakPolarHBondContact ND2-CD1 3.18Å; N27-F53 WeakPolarHBondContact ND2-CE1 3.42Å; N27-F83 HydrophobicContact CB-CD1 3.92Å; N27-F83 HydrophobicContact CB-CD2 4.23Å; N27-F83 HydrophobicContact CB-CE1 3.81Å; N27-F83 HydrophobicContact CB-CE2 4.13Å; N27-F83 HydrophobicContact CB-CG 4.13Å; N27-F83 HydrophobicContact CB-CZ 3.91Å; N27-F83 WeakPolarHBondContact OD1-CE1 3.43Å; N27-F83 WeakPolarHBondContact OD1-CZ 3.5Å
28Q82.1Confident84.2Confident167 Ų16751.8 Ų51.878%0.7824%0.244SC*.THydrogen-bonded Turntrans69.5-14-175.4-51.2177.751.500115.8Q25 V26Q25-Q28 PolarHBondContact NE2-O 2.8Å; Q25-Q28 VanDerWaalsContact NE2-O 3.13Å; V26-Q28 VanDerWaalsContact C-N 3.26Å; V26-Q28 PolarHBondContact O-N 3.02Å
29E86.3Confident84.8Confident87 Ų8754.2 Ų54.241%0.40726%0.262SS..EExtended strand (participates in β ladder)trans-81147.1176.5-62.4-55155.700112.7V12 Q25 V26 N27V12-E29 HydrophobicContact CG2-CB 3.67Å; V12-E29 HydrophobicContact CG2-CG 3.89Å; V12-E29 WeakPolarHBondContact CG2-OE2 3.49Å; Q25-E29 CarbonylContact C-O 3.58Å; Q25-E29 VanDerWaalsContact CA-O 3.26Å; Q25-E29 WeakPolarHBondContact CA-O 3.45Å; Q25-E29 WeakPolarHBondContact CG-O 3.45Å; V26-E29 PolarHBondContact N-O 2.85Å; V26-E29 WeakPolarHBondContact O-CB 3.38Å; V26-E29 PolarHBondContact O-N 3.5Å; N27-E29 PolarHBondContact O-N 3.34Å
30T88.4Confident85.6Confident14 Ų1453.8 Ų53.89%0.08627%0.268CS..EExtended strand (participates in β ladder)trans-103140.917954.10000112.1M9 V10 C11 V12 L23 L24 Q25M9-T30 HydrophobicContact CB-CG2 4.24Å; M9-T30 HydrophobicContact CG-CG2 4.25Å; M9-T30 HydrophobicContact SD-CG2 3.97Å; V10-T30 PolarHBondContact O-OG1 2.69Å; C11-T30 VanDerWaalsContact CA-O 3.3Å; C11-T30 WeakPolarHBondContact CA-O 3.25Å; V12-T30 PolarHBondContact N-O 3.02Å; L23-T30 HydrophobicContact CD1-CG2 3.84Å; L23-T30 HydrophobicContact CD2-CG2 4.48Å; L24-T30 CarbonylContact O-C 3.59Å; L24-T30 WeakPolarHBondContact O-CA 3.31Å; Q25-T30 HydrophobicContact CG-CG2 4.41Å
31W89.2Confident86.5Confident13 Ų1354.1 Ų54.15%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-137.7143-173.6-56.178.3000110.5V12 L24 C35 L36 F53 V58V12-W31 HydrophobicContact CB-CD2 4.41Å; V12-W31 HydrophobicContact CB-CE3 4.49Å; V12-W31 HydrophobicContact CB-CH2 3.88Å; V12-W31 HydrophobicContact CB-CZ2 3.78Å; V12-W31 HydrophobicContact CB-CZ3 4.25Å; V12-W31 HydrophobicContact CG1-CH2 3.7Å; V12-W31 HydrophobicContact CG1-CZ2 3.81Å; V12-W31 HydrophobicContact CG1-CZ3 4.39Å; L24-W31 HydrophobicContact CB-CB 4.37Å; L24-W31 PolarHBondContact N-O 2.9Å; L24-W31 PolarHBondContact O-N 3.32Å; W31-C35 HydrophobicContact CE3-CB 4.46Å; W31-L36 HydrophobicContact CB-CB 4.1Å; W31-L36 HydrophobicContact CB-CD1 4.12Å; W31-L36 HydrophobicContact CD2-CD1 3.74Å; W31-L36 HydrophobicContact CE3-CD1 4.22Å; W31-L36 HydrophobicContact CG-CD1 3.66Å; W31-F53 HydrophobicContact CZ2-CE2 4.45Å; W31-V58 HydrophobicContact CH2-CG2 4.41Å; W31-V58 HydrophobicContact CZ2-CG1 4.24Å
32H88.6Confident87.4Confident20 Ų2052.5 Ų52.59%0.09328%0.28CS..  trans-64.9154.7159.9-56.5104.7000109.8C11 C14 L17 I18 D20 Q34 C35 L36C11-H32 WeakPolarHBondContact CB-CE1 3.28Å; C11-H32 WeakPolarHBondContact CB-ND1 3.46Å; C11-H32 PolarHBondContact SG-N 2.91Å; C11-H32 VanDerWaalsContact SG-N 3.39Å; C11-H32 PolarHBondContact SG-ND1 2.93Å; C14-H32 PolarHBondContact SG-CE1 3.13Å; C14-H32 PolarHBondContact SG-ND1 3.36Å; L17-H32 PolarHBondContact O-NE2 3.25Å; I18-H32 WeakPolarHBondContact CA-NE2 3.22Å; D20-H32 IonicContact OD2-CD2 3.82Å; D20-H32 PolarHBondContact OD2-CD2 2.71Å; D20-H32 VanDerWaalsContact OD2-CD2 3.26Å; D20-H32 IonicContact OD2-CG 3.45Å; H32-Q34 PolarHBondContact O-N 3.04Å; H32-C35 HydrophobicContact CB-CB 4.03Å; H32-C35 PolarHBondContact O-N 3.02Å; H32-C35 VanDerWaalsContact O-N 3.12Å; H32-L36 PolarHBondContact O-N 3.25Å
33A87Confident88.1Confident32 Ų3254.3 Ų54.326%0.26429%0.291SS..THydrogen-bonded Turntrans-57.1-38.5175.900000112.2L24 D46L24-A33 HydrophobicContact CD1-CB 4.37Å; A33-D46 HydrophobicContact CB-CB 4.21Å
34Q87.4Confident88.4Confident140 Ų14055.9 Ų55.965%0.65430%0.302SS*.THydrogen-bonded Turntrans-81.8-17.5-178.6-67154.220.900113.4H32 R37H32-Q34 PolarHBondContact O-N 3.04Å; Q34-R37 WeakPolarHBondContact O-CD 3.35Å; Q34-R37 PolarHBondContact O-NE 3.4Å
35C90.9Very high88.6Confident37 Ų3755.6 Ų55.625%0.2530%0.301CS..THydrogen-bonded Turntrans-88.9-22178.7-67.20000112.3C11 W31 H32 R37C11-C35 WeakPolarHBondContact SG-CB 3.43Å; W31-C35 HydrophobicContact CE3-CB 4.46Å; H32-C35 HydrophobicContact CB-CB 4.03Å; H32-C35 PolarHBondContact O-N 3.02Å; H32-C35 VanDerWaalsContact O-N 3.12Å; C35-R37 VanDerWaalsContact C-N 3.32Å; C35-R37 PolarHBondContact O-N 3.34Å
36L91.8Very high88.6Confident0 Ų054 Ų540%030%0.295CS..  trans-78.382.3177-166.375.3000110.7L24 V26 W31 H32 L45 V58 V85L24-L36 HydrophobicContact CB-CD2 4.25Å; L24-L36 HydrophobicContact CD1-CB 3.89Å; L24-L36 HydrophobicContact CD1-CD2 3.63Å; L24-L36 HydrophobicContact CD1-CG 4.4Å; V26-L36 HydrophobicContact CB-CD1 4.39Å; V26-L36 HydrophobicContact CG2-CD1 3.83Å; V26-L36 HydrophobicContact CG2-CD2 3.94Å; W31-L36 HydrophobicContact CB-CB 4.1Å; W31-L36 HydrophobicContact CB-CD1 4.12Å; W31-L36 HydrophobicContact CD2-CD1 3.74Å; W31-L36 HydrophobicContact CE3-CD1 4.22Å; W31-L36 HydrophobicContact CG-CD1 3.66Å; H32-L36 PolarHBondContact O-N 3.25Å; L36-L45 HydrophobicContact CD2-CB 3.98Å; L36-L45 HydrophobicContact CG-CB 4.01Å; L36-L45 PolarHBondContact O-N 3.11Å; L36-V58 HydrophobicContact CD1-CG1 4.11Å; L36-V58 HydrophobicContact CD1-CG2 4.28Å; L36-V85 HydrophobicContact CD2-CG1 3.79Å; L36-V85 HydrophobicContact CD2-CG2 4.11Å
37R92.9Very high88.5Confident106 Ų10661.2 Ų61.240%0.433%0.328SS..BIsolated β-bridgetrans-124.8148-178.3-65.9-179-178-83.1-6.1111.7Q34 C35 S39 S42 L43 V58Q34-R37 WeakPolarHBondContact O-CD 3.35Å; Q34-R37 PolarHBondContact O-NE 3.4Å; C35-R37 VanDerWaalsContact C-N 3.32Å; C35-R37 PolarHBondContact O-N 3.34Å; R37-S39 PolarHBondContact O-N 3.46Å; R37-S42 PolarHBondContact NH1-O 3.44Å; R37-L43 CarbonylContact C-O 3.57Å; R37-L43 VanDerWaalsContact CA-O 3.28Å; R37-L43 WeakPolarHBondContact CA-O 3.39Å; R37-V58 WeakPolarHBondContact O-CG2 3.44Å
38C92.2Very high88.5Confident1 Ų161.9 Ų61.91%0.00733%0.332CS..  trans-59.3129.4172.1-177.10000110.3V40 C41 S42 L43 L45 C60C38-V40 PolarHBondContact O-N 2.95Å; C38-V40 VanDerWaalsContact O-N 3.14Å; C38-C41 WeakPolarHBondContact CB-SG 3.49Å; C38-S42 WeakPolarHBondContact O-CA 3.5Å; C38-S42 PolarHBondContact O-N 3.26Å; C38-L43 HydrophobicContact CB-CB 4.37Å; C38-L43 PolarHBondContact N-O 3.24Å; C38-L45 HydrophobicContact CB-CD2 4.28Å; C38-C60 HydrophobicContact CB-CB 4.21Å; C38-C60 PolarHBondContact SG-N 2.91Å; C38-C60 VanDerWaalsContact SG-N 3.37Å
39S89.3Confident88.5Confident63 Ų6358.6 Ų58.644%0.44133%0.325SS..THydrogen-bonded Turntrans-66.9-15.6-178.4-53.30000113.7R37 V58R37-S39 PolarHBondContact O-N 3.46Å; S39-V58 PolarHBondContact N-O 2.85Å; S39-V58 PolarHBondContact OG-O 2.98Å
40V88.1Confident88.4Confident94 Ų9455.3 Ų55.357%0.5731%0.312SS*.THydrogen-bonded Turntrans-99.2-59.6-179.2-179.50000110.8C38 F59 C63C38-V40 PolarHBondContact O-N 2.95Å; C38-V40 VanDerWaalsContact O-N 3.14Å; V40-F59 HydrophobicContact CG2-CD1 3.98Å; V40-F59 HydrophobicContact CG2-CE1 3.98Å; V40-C63 HydrophobicContact CB-CB 4.02Å; V40-C63 HydrophobicContact CG1-CB 4.43Å; V40-C63 HydrophobicContact CG2-CB 4.24Å
41C90.9Very high88.3Confident65 Ų6554.7 Ų54.744%0.43931%0.308SS..THydrogen-bonded Turntrans-97.7-0.7-174.666.10000114.6C38 L43 C63C38-C41 WeakPolarHBondContact CB-SG 3.49Å; C41-L43 PolarHBondContact O-N 2.97Å; C41-L43 WeakPolarHBondContact SG-CB 3.37Å; C41-C63 VanDerWaalsContact SG-SG 3.65Å
42S90.1Very high88.2Confident76 Ų7654.5 Ų54.553%0.53131%0.307SS..  trans58.611.5-177.2-58.80000115.7R37 C38 S44R37-S42 PolarHBondContact NH1-O 3.44Å; C38-S42 WeakPolarHBondContact O-CA 3.5Å; C38-S42 PolarHBondContact O-N 3.26Å; S42-S44 PolarHBondContact O-N 3.47Å
43L90.8Very high88Confident91 Ų9154.8 Ų54.848%0.47631%0.308SS..  trans-58.9131.4176.4-177.867.7000110.2R37 C38 C41 L45 C60R37-L43 CarbonylContact C-O 3.57Å; R37-L43 VanDerWaalsContact CA-O 3.28Å; R37-L43 WeakPolarHBondContact CA-O 3.39Å; C38-L43 HydrophobicContact CB-CB 4.37Å; C38-L43 PolarHBondContact N-O 3.24Å; C41-L43 PolarHBondContact O-N 2.97Å; C41-L43 WeakPolarHBondContact SG-CB 3.37Å; L43-L45 PolarHBondContact O-N 2.96Å; L43-C60 HydrophobicContact CD2-CB 4.28Å
44S91.2Very high87.7Confident36 Ų3654.9 Ų54.925%0.25230%0.303SS..BIsolated β-bridgetrans-66.1123.2175.1-151.20000110.2S42 D46S42-S44 PolarHBondContact O-N 3.47Å; S44-D46 VanDerWaalsContact CB-OD1 3.24Å; S44-D46 WeakPolarHBondContact CB-OD1 3.2Å; S44-D46 PolarHBondContact OG-OD1 3.02Å
45L89.4Confident87.4Confident0 Ų055.3 Ų55.30%031%0.305CS..  trans-99.3-0.5-176.4-50.4175000112.2L36 C38 L43 Q47 L48 C51 V58 C60L36-L45 HydrophobicContact CD2-CB 3.98Å; L36-L45 HydrophobicContact CG-CB 4.01Å; L36-L45 PolarHBondContact O-N 3.11Å; C38-L45 HydrophobicContact CB-CD2 4.28Å; L43-L45 PolarHBondContact O-N 2.96Å; L45-Q47 PolarHBondContact O-N 3.47Å; L45-L48 HydrophobicContact CB-CD1 4.49Å; L45-L48 HydrophobicContact CD2-CD1 3.63Å; L45-L48 PolarHBondContact O-N 3.39Å; L45-L48 VanDerWaalsContact O-N 3.08Å; L45-C51 HydrophobicContact CB-CB 4.46Å; L45-C51 HydrophobicContact CD1-CB 3.83Å; L45-V58 HydrophobicContact CD1-CB 4.15Å; L45-V58 HydrophobicContact CD1-CG2 4.35Å; L45-C60 HydrophobicContact CD2-CB 3.69Å
46D84.2Confident86.9Confident41 Ų4161.3 Ų61.322%0.21933%0.329CS..THydrogen-bonded Turntrans-62.2-26.8-177.566.9-57.3000114.2L24 A33 S44L24-D46 HydrophobicContact CD1-CB 3.49Å; L24-D46 VanDerWaalsContact CD1-CB 3.49Å; A33-D46 HydrophobicContact CB-CB 4.21Å; S44-D46 VanDerWaalsContact CB-OD1 3.24Å; S44-D46 WeakPolarHBondContact CB-OD1 3.2Å; S44-D46 PolarHBondContact OG-OD1 3.02Å
47Q84.3Confident86.6Confident151 Ų15166.8 Ų66.871%0.70635%0.353SS*.THydrogen-bonded Turntrans-95.4-3.3177.3-57.7-57.1-41.200113.3L45L45-Q47 PolarHBondContact O-N 3.47Å
48L82.4Confident86.4Confident66 Ų6661.9 Ų61.935%0.34634%0.335SS..SBendtrans-91.4142.7-177.4-61.2-178.5000111L45 S50 V85L45-L48 HydrophobicContact CB-CD1 4.49Å; L45-L48 HydrophobicContact CD2-CD1 3.63Å; L45-L48 PolarHBondContact O-N 3.39Å; L45-L48 VanDerWaalsContact O-N 3.08Å; L48-S50 VanDerWaalsContact C-N 3.27Å; L48-S50 PolarHBondContact O-N 3.26Å; L48-V85 WeakPolarHBondContact O-CB 3.42Å
49P82.1Confident86.2Confident98 Ų9862.6 Ų62.664%0.63634%0.338SS*.SBendtrans-69.7-26.2-178.827.9-35.1000112.8T84 V85P49-T84 WeakPolarHBondContact O-CA 3.26Å; P49-T84 WeakPolarHBondContact O-CG2 3.25Å; P49-V85 PolarHBondContact O-N 2.89Å; P49-V85 VanDerWaalsContact O-N 3.13Å
50S84Confident86.2Confident18 Ų1860 Ų6013%0.12632%0.319CS..EExtended strand (participates in β ladder)trans-149.3147178.358.90000111L48 R82 F83L48-S50 VanDerWaalsContact C-N 3.27Å; L48-S50 PolarHBondContact O-N 3.26Å; S50-R82 PolarHBondContact OG-NE 2.93Å; S50-R82 VanDerWaalsContact OG-NE 3.15Å; S50-R82 PolarHBondContact OG-NH2 3.38Å; S50-F83 CarbonylContact C-O 3.47Å; S50-F83 WeakPolarHBondContact CA-O 3.41Å; S50-F83 VanDerWaalsContact CB-O 3.24Å; S50-F83 WeakPolarHBondContact CB-O 3.46Å
51C86.8Confident86Confident0 Ų061.2 Ų61.20%032%0.317CS..EExtended strand (participates in β ladder)trans-125.3172.2168.459.70000109.7V26 L45 F83 V85V26-C51 WeakPolarHBondContact CG1-SG 3.36Å; L45-C51 HydrophobicContact CB-CB 4.46Å; L45-C51 HydrophobicContact CD1-CB 3.83Å; C51-F83 PolarHBondContact N-O 3.41Å; C51-F83 PolarHBondContact O-N 3.23Å; C51-F83 VanDerWaalsContact O-O 3.07Å; C51-V85 HydrophobicContact CB-CG2 4.13Å; C51-V85 VanDerWaalsContact SG-CG2 3.6Å
52Y87.6Confident85.7Confident10 Ų1065.2 Ų65.24%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-109.7139.3177.9-66.5-97.7000109.7V58 F59 K61 Y64 V78 N81 R82Y52-V58 CarbonylContact O-C 3.59Å; Y52-V58 WeakPolarHBondContact O-CA 3.44Å; Y52-F59 PolarHBondContact N-O 3.39Å; Y52-F59 PolarHBondContact O-N 2.82Å; Y52-K61 HydrophobicContact CD2-CB 4.42Å; Y52-K61 HydrophobicContact CE2-CB 3.77Å; Y52-K61 HydrophobicContact CE2-CG 3.9Å; Y52-Y64 VanDerWaalsContact CB-CG 3.5Å; Y52-Y64 AromaticContact CD1-CD1 3.38Å; Y52-Y64 HydrophobicContact CD1-CD1 3.38Å; Y52-Y64 HydrophobicContact CD1-CD2 4.33Å; Y52-Y64 AromaticContact CD1-CE1 3.62Å; Y52-Y64 HydrophobicContact CD1-CE1 3.62Å; Y52-Y64 AromaticContact CD1-CG 3.78Å; Y52-Y64 HydrophobicContact CD1-CG 3.78Å; Y52-Y64 HydrophobicContact CD2-CD1 4.42Å; Y52-Y64 HydrophobicContact CD2-CG 4.29Å; Y52-Y64 AromaticContact CE1-CD1 3.86Å; Y52-Y64 HydrophobicContact CE1-CD1 3.86Å; Y52-Y64 HydrophobicContact CE1-CE1 4.12Å; Y52-Y64 AromaticContact CG-CD1 3.69Å; Y52-Y64 HydrophobicContact CG-CD1 3.69Å; Y52-Y64 HydrophobicContact CG-CD2 4.11Å; Y52-Y64 HydrophobicContact CG-CE1 4.29Å; Y52-Y64 AromaticContact CG-CG 3.59Å; Y52-Y64 HydrophobicContact CG-CG 3.59Å; Y52-V78 HydrophobicContact CE1-CG1 4.05Å; Y52-N81 CarbonylContact C-O 3.52Å; Y52-N81 VanDerWaalsContact CA-O 3.24Å; Y52-N81 WeakPolarHBondContact CA-O 3.47Å; Y52-R82 HydrophobicContact CD1-CB 4.11Å; Y52-R82 HydrophobicContact CE1-CB 3.7Å; Y52-R82 HydrophobicContact CE1-CG 4.02Å
53F83.7Confident85.4Confident25 Ų2562.5 Ų62.511%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-123.6124.6-179.4-173.6-84.1000109.4V26 N27 W31 E56 K57 V58 N81 F83V26-F53 HydrophobicContact CG1-CD2 4.44Å; N27-F53 HydrophobicContact CB-CB 4.36Å; N27-F53 HydrophobicContact CB-CD1 4.09Å; N27-F53 HydrophobicContact CB-CD2 4.08Å; N27-F53 HydrophobicContact CB-CE1 4.36Å; N27-F53 HydrophobicContact CB-CE2 4.35Å; N27-F53 HydrophobicContact CB-CG 3.93Å; N27-F53 HydrophobicContact CB-CZ 4.45Å; N27-F53 WeakPolarHBondContact ND2-CD1 3.18Å; N27-F53 WeakPolarHBondContact ND2-CE1 3.42Å; W31-F53 HydrophobicContact CZ2-CE2 4.45Å; F53-E56 VanDerWaalsContact CZ-CA 3.47Å; F53-K57 WeakPolarHBondContact CA-O 3.46Å; F53-V58 HydrophobicContact CD2-CG1 3.71Å; F53-V58 HydrophobicContact CE2-CG1 4.4Å; F53-N81 PolarHBondContact N-O 3.36Å; F53-N81 WeakPolarHBondContact O-CB 3.33Å; F53-F83 HydrophobicContact CB-CD2 3.51Å; F53-F83 HydrophobicContact CB-CE2 3.69Å; F53-F83 HydrophobicContact CG-CE2 4.48Å
54K81.7Confident85Confident35 Ų3559 Ų5915%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-147.1133.9175.8-175.7179-179.6177.80108.4E56 K57 F59 Y64 L69 D71K54-E56 PolarHBondContact O-N 3.12Å; K54-K57 PolarHBondContact N-O 2.74Å; K54-K57 WeakPolarHBondContact O-CB 3.5Å; K54-K57 PolarHBondContact O-N 3.45Å; K54-K57 VanDerWaalsContact O-O 3.13Å; K54-F59 HydrophobicContact CB-CE2 4.09Å; K54-Y64 HydrophobicContact CB-CE2 4.17Å; K54-Y64 HydrophobicContact CD-CE2 4.38Å; K54-L69 HydrophobicContact CD-CD2 3.71Å; K54-D71 IonicContact NZ-OD2 3.78Å
55E79.9Confident84.5Confident149 Ų14962.5 Ų62.570%0.69631%0.305SS*.THydrogen-bonded Turntrans50.350176.4-65.7167.7-157.300113.8K57E55-K57 PolarHBondContact O-N 3.05Å
56E81.9Confident83.7Confident162 Ų16265.2 Ų65.276%0.75732%0.324SS*.THydrogen-bonded Turntrans62.97.5-179.5-55.8-177.1141.200115.3F53 K54F53-E56 VanDerWaalsContact CZ-CA 3.47Å; K54-E56 PolarHBondContact O-N 3.12Å
57K84.8Confident82.6Confident115 Ų11571 Ų7150%0.536%0.355SS..EExtended strand (participates in β ladder)trans-112.6144.6179.3-68.3175.8-173.8172.60110.9F53 K54 E55 F59F53-K57 WeakPolarHBondContact CA-O 3.46Å; K54-K57 PolarHBondContact N-O 2.74Å; K54-K57 WeakPolarHBondContact O-CB 3.5Å; K54-K57 PolarHBondContact O-N 3.45Å; K54-K57 VanDerWaalsContact O-O 3.13Å; E55-K57 PolarHBondContact O-N 3.05Å; K57-F59 HydrophobicContact CB-CE2 3.62Å; K57-F59 HydrophobicContact CB-CZ 3.59Å; K57-F59 HydrophobicContact CD-CZ 4.36Å; K57-F59 WeakPolarHBondContact O-CE2 3.44Å
58V89.1Confident81.6Confident4 Ų470.8 Ų70.82%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-103.2142.5176.2-74.10000111.3V26 W31 L36 R37 S39 L45 Y52 F53V26-V58 HydrophobicContact CG1-CG1 4.2Å; W31-V58 HydrophobicContact CH2-CG2 4.41Å; W31-V58 HydrophobicContact CZ2-CG1 4.24Å; L36-V58 HydrophobicContact CD1-CG1 4.11Å; L36-V58 HydrophobicContact CD1-CG2 4.28Å; R37-V58 WeakPolarHBondContact O-CG2 3.44Å; S39-V58 PolarHBondContact N-O 2.85Å; S39-V58 PolarHBondContact OG-O 2.98Å; L45-V58 HydrophobicContact CD1-CB 4.15Å; L45-V58 HydrophobicContact CD1-CG2 4.35Å; Y52-V58 CarbonylContact O-C 3.59Å; Y52-V58 WeakPolarHBondContact O-CA 3.44Å; F53-V58 HydrophobicContact CD2-CG1 3.71Å; F53-V58 HydrophobicContact CE2-CG1 4.4Å
59F87.9Confident80.3Confident16 Ų1670.1 Ų70.17%0.0736%0.355CS..EExtended strand (participates in β ladder)trans-135.5147.2-175.4-55.1-87.9000111.3V40 Y52 K54 K57 Y64V40-F59 HydrophobicContact CG2-CD1 3.98Å; V40-F59 HydrophobicContact CG2-CE1 3.98Å; Y52-F59 PolarHBondContact N-O 3.39Å; Y52-F59 PolarHBondContact O-N 2.82Å; K54-F59 HydrophobicContact CB-CE2 4.09Å; K57-F59 HydrophobicContact CB-CE2 3.62Å; K57-F59 HydrophobicContact CB-CZ 3.59Å; K57-F59 HydrophobicContact CD-CZ 4.36Å; K57-F59 WeakPolarHBondContact O-CE2 3.44Å; F59-Y64 HydrophobicContact CB-CD2 4.33Å; F59-Y64 HydrophobicContact CD2-CD2 4.26Å; F59-Y64 HydrophobicContact CG-CD2 4.45Å
60C88.7Confident78.9Confident8 Ų871.1 Ų71.15%0.05436%0.361CS..  trans-74.9162.2165.774.60000110C38 L43 L45 M62 C63 Y64C38-C60 HydrophobicContact CB-CB 4.21Å; C38-C60 PolarHBondContact SG-N 2.91Å; C38-C60 VanDerWaalsContact SG-N 3.37Å; L43-C60 HydrophobicContact CD2-CB 4.28Å; L45-C60 HydrophobicContact CD2-CB 3.69Å; C60-M62 VanDerWaalsContact C-N 3.27Å; C60-M62 PolarHBondContact O-N 2.87Å; C60-C63 PolarHBondContact O-N 3.4Å; C60-C63 PolarHBondContact SG-N 3.05Å; C60-C63 VanDerWaalsContact SG-N 3.38Å; C60-Y64 WeakPolarHBondContact O-CB 3.38Å; C60-Y64 PolarHBondContact O-N 3.15Å
61K84.8Confident77.7Confident119 Ų11974 Ų7452%0.51738%0.375SS..Hα-helixtrans-52.4-45.8178.9-175.6-178.9174.9-1710112.3Y52 Y64 Q65Y52-K61 HydrophobicContact CD2-CB 4.42Å; Y52-K61 HydrophobicContact CE2-CB 3.77Å; Y52-K61 HydrophobicContact CE2-CG 3.9Å; K61-Y64 PolarHBondContact O-N 3.41Å; K61-Q65 VanDerWaalsContact CE-NE2 3.34Å; K61-Q65 HydrophobicContact CG-CG 4.47Å; K61-Q65 WeakPolarHBondContact O-CB 3.33Å; K61-Q65 VanDerWaalsContact O-CG 3.25Å; K61-Q65 WeakPolarHBondContact O-CG 3.36Å; K61-Q65 PolarHBondContact O-N 2.98Å
62M83.4Confident76Confident149 Ų14983.6 Ų83.673%0.73442%0.42SS*.Hα-helixtrans-63.4-52.8-177-64.417868.200111.5C60 Y64 Q65 S66C60-M62 VanDerWaalsContact C-N 3.27Å; C60-M62 PolarHBondContact O-N 2.87Å; M62-Y64 VanDerWaalsContact C-N 3.27Å; M62-Y64 PolarHBondContact O-N 3.47Å; M62-Q65 PolarHBondContact O-N 3.37Å; M62-Q65 VanDerWaalsContact O-N 3.12Å; M62-S66 PolarHBondContact O-N 2.84Å; M62-S66 PolarHBondContact O-OG 3.04Å
63C84.9Confident74.3Confident20 Ų2089.8 Ų89.814%0.13545%0.453CS..Hα-helixtrans-68.4-25.1-179.2-63.50000113.4V40 C41 C60V40-C63 HydrophobicContact CB-CB 4.02Å; V40-C63 HydrophobicContact CG1-CB 4.43Å; V40-C63 HydrophobicContact CG2-CB 4.24Å; C41-C63 VanDerWaalsContact SG-SG 3.65Å; C60-C63 PolarHBondContact O-N 3.4Å; C60-C63 PolarHBondContact SG-N 3.05Å; C60-C63 VanDerWaalsContact SG-N 3.38Å
64Y82.1Confident73Confident17 Ų1790.8 Ų90.87%0.06747%0.466CS..Hα-helixtrans-75.3-30173.5-172.2-95.9000112.3Y52 K54 F59 C60 K61 M62 L69 V78 N81Y52-Y64 VanDerWaalsContact CB-CG 3.5Å; Y52-Y64 AromaticContact CD1-CD1 3.38Å; Y52-Y64 HydrophobicContact CD1-CD1 3.38Å; Y52-Y64 HydrophobicContact CD1-CD2 4.33Å; Y52-Y64 AromaticContact CD1-CE1 3.62Å; Y52-Y64 HydrophobicContact CD1-CE1 3.62Å; Y52-Y64 AromaticContact CD1-CG 3.78Å; Y52-Y64 HydrophobicContact CD1-CG 3.78Å; Y52-Y64 HydrophobicContact CD2-CD1 4.42Å; Y52-Y64 HydrophobicContact CD2-CG 4.29Å; Y52-Y64 AromaticContact CE1-CD1 3.86Å; Y52-Y64 HydrophobicContact CE1-CD1 3.86Å; Y52-Y64 HydrophobicContact CE1-CE1 4.12Å; Y52-Y64 AromaticContact CG-CD1 3.69Å; Y52-Y64 HydrophobicContact CG-CD1 3.69Å; Y52-Y64 HydrophobicContact CG-CD2 4.11Å; Y52-Y64 HydrophobicContact CG-CE1 4.29Å; Y52-Y64 AromaticContact CG-CG 3.59Å; Y52-Y64 HydrophobicContact CG-CG 3.59Å; K54-Y64 HydrophobicContact CB-CE2 4.17Å; K54-Y64 HydrophobicContact CD-CE2 4.38Å; F59-Y64 HydrophobicContact CB-CD2 4.33Å; F59-Y64 HydrophobicContact CD2-CD2 4.26Å; F59-Y64 HydrophobicContact CG-CD2 4.45Å; C60-Y64 WeakPolarHBondContact O-CB 3.38Å; C60-Y64 PolarHBondContact O-N 3.15Å; K61-Y64 PolarHBondContact O-N 3.41Å; M62-Y64 VanDerWaalsContact C-N 3.27Å; M62-Y64 PolarHBondContact O-N 3.47Å; Y64-L69 HydrophobicContact CD2-CD2 4.09Å; Y64-L69 HydrophobicContact CE2-CD2 4.09Å; Y64-V78 HydrophobicContact CE1-CB 4.47Å; Y64-V78 HydrophobicContact CE1-CG2 3.95Å; Y64-N81 HydrophobicContact CE2-CB 4.35Å; Y64-N81 WeakPolarHBondContact OH-CB 3.15Å; Y64-N81 PolarHBondContact OH-ND2 3.16Å
65Q79.7Confident71.8Confident110 Ų11097.6 Ų97.651%0.51450%0.498SS..Hα-helixtrans-87-18178.8-72.6-179.4-28.200113.6K61 M62K61-Q65 VanDerWaalsContact CE-NE2 3.34Å; K61-Q65 HydrophobicContact CG-CG 4.47Å; K61-Q65 WeakPolarHBondContact O-CB 3.33Å; K61-Q65 VanDerWaalsContact O-CG 3.25Å; K61-Q65 WeakPolarHBondContact O-CG 3.36Å; K61-Q65 PolarHBondContact O-N 2.98Å; M62-Q65 PolarHBondContact O-N 3.37Å; M62-Q65 VanDerWaalsContact O-N 3.12Å
66S72.5Confident70.6Confident56 Ų5697.6 Ų97.639%0.39250%0.501SS..SBendtrans-62.5138.7175.5-61.70000111M62 D68 L69M62-S66 PolarHBondContact O-N 2.84Å; M62-S66 PolarHBondContact O-OG 3.04Å; S66-D68 PolarHBondContact O-N 3.26Å; S66-L69 PolarHBondContact O-N 3.46Å
67D61.8Low69.5Low164 Ų16491.2 Ų91.288%0.87748%0.475SS*.THydrogen-bonded Turntrans-58.7-5-175.9-63.9-56.9000115L69D67-L69 PolarHBondContact O-N 2.9Å
68D62.6Low68.3Low146 Ų14687.8 Ų87.878%0.78146%0.463SS*.THydrogen-bonded Turntrans-67.4-11.6174.8-74.6-45.8000113.9S66 P70S66-D68 PolarHBondContact O-N 3.26Å; D68-P70 WeakPolarHBondContact O-CD 3.37Å
69L55.2Low67Low52 Ų5294 Ų9427%0.27250%0.495SS..SBendtrans-101.296.4172.2-105.273.2000110.5K54 Y64 S66 D67 D71K54-L69 HydrophobicContact CD-CD2 3.71Å; Y64-L69 HydrophobicContact CD2-CD2 4.09Å; Y64-L69 HydrophobicContact CE2-CD2 4.09Å; S66-L69 PolarHBondContact O-N 3.46Å; D67-L69 PolarHBondContact O-N 2.9Å; L69-D71 PolarHBondContact O-N 3.07Å
70P53.7Low66.1Low118 Ų11897.1 Ų97.177%0.76652%0.52SS*.  trans-73.698.8-179.729.1-33.5000109.7D68D68-P70 WeakPolarHBondContact O-CD 3.37Å
71D58.3Low65.3Low78 Ų7898.4 Ų98.442%0.41753%0.526SS..  trans-149.7100.2159.1-145.4-13.4000109.9K54 L69 L73 A74K54-D71 IonicContact NZ-OD2 3.78Å; L69-D71 PolarHBondContact O-N 3.07Å; D71-L73 PolarHBondContact O-N 2.8Å; D71-A74 PolarHBondContact O-N 2.79Å
72Q52Low65.1Low202 Ų20299.3 Ų99.394%0.94453%0.526SS*.THydrogen-bonded Turntrans-67.8-1-174.7-70.71796.400113.8A74Q72-A74 PolarHBondContact O-N 3.4Å
73L52.2Low64.9Low141 Ų14194.6 Ų94.674%0.73850%0.502SS*.THydrogen-bonded Turntrans-91.528.5175.2-63.1173.2000112.8D71 E75D71-L73 PolarHBondContact O-N 2.8Å; L73-E75 PolarHBondContact O-N 3.25Å
74A55.5Low64.7Low45 Ų4597.7 Ų97.737%0.37252%0.52SS..Hα-helixtrans-59.7-34.5-15900000116D71 Q72 I76 S77 V78D71-A74 PolarHBondContact O-N 2.79Å; Q72-A74 PolarHBondContact O-N 3.4Å; A74-I76 PolarHBondContact O-N 3.33Å; A74-S77 PolarHBondContact O-N 3.18Å; A74-S77 PolarHBondContact O-OG 3.48Å; A74-V78 HydrophobicContact CB-CG2 4.42Å; A74-V78 VanDerWaalsContact O-CB 3.3Å; A74-V78 WeakPolarHBondContact O-CB 3.26Å; A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 2.97Å
75E56.6Low64.5Low178 Ų17897.8 Ų97.883%0.83252%0.522SS*.Hα-helixtrans-65.7-41.1-171.4-74.5-171.7161.600113.6L73L73-E75 PolarHBondContact O-N 3.25Å
76I55.2Low64.4Low149 Ų149100.3 Ų100.376%0.76453%0.527SS*.Hα-helixtrans-79.1-36.1-179.8-61.5171.9000110.6A74A74-I76 PolarHBondContact O-N 3.33Å
77S57.9Low64.4Low29 Ų29102.1 Ų102.120%0.20353%0.532CS..Hα-helixtrans-72.8-33.1-178.183.20000112.9A74 L79 S80 N81A74-S77 PolarHBondContact O-N 3.18Å; A74-S77 PolarHBondContact O-OG 3.48Å; S77-L79 VanDerWaalsContact C-N 3.3Å; S77-L79 PolarHBondContact O-N 3Å; S77-S80 PolarHBondContact O-N 3.04Å; S77-N81 WeakPolarHBondContact O-CB 3.32Å; S77-N81 PolarHBondContact O-N 2.8Å; S77-N81 PolarHBondContact O-ND2 3.29Å
78V61Low64.7Low42 Ų4296.1 Ų96.126%0.25551%0.505SS..Hα-helixtrans-61.9-37.8-179.3170.90000111.6Y52 Y64 A74 R82Y52-V78 HydrophobicContact CE1-CG1 4.05Å; Y64-V78 HydrophobicContact CE1-CB 4.47Å; Y64-V78 HydrophobicContact CE1-CG2 3.95Å; A74-V78 HydrophobicContact CB-CG2 4.42Å; A74-V78 VanDerWaalsContact O-CB 3.3Å; A74-V78 WeakPolarHBondContact O-CB 3.26Å; A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 2.97Å; V78-R82 PolarHBondContact O-N 3.48Å
79L61.7Low64.6Low134 Ų13491 Ų9170%0.70248%0.479SS*.Hα-helixtrans-72.2-40.2176.4-68.7179.1000112S77 N81 R82S77-L79 VanDerWaalsContact C-N 3.3Å; S77-L79 PolarHBondContact O-N 3Å; L79-N81 VanDerWaalsContact C-N 3.29Å; L79-N81 PolarHBondContact O-N 3.2Å; L79-R82 PolarHBondContact O-N 3.41Å
80S69.2Low64.8Low83 Ų8388.6 Ų88.658%0.5847%0.466SS*.Hα-helixtrans-65.9-32.3179-172.90000112.7S77S77-S80 PolarHBondContact O-N 3.04Å
81N70.2Confident64.9Low34 Ų3486.8 Ų86.818%0.18245%0.449CS..THydrogen-bonded Turntrans-93.3-0.4-175.5-67-16.2000113.5Y52 F53 Y64 S77 L79 F83Y52-N81 CarbonylContact C-O 3.52Å; Y52-N81 VanDerWaalsContact CA-O 3.24Å; Y52-N81 WeakPolarHBondContact CA-O 3.47Å; F53-N81 PolarHBondContact N-O 3.36Å; F53-N81 WeakPolarHBondContact O-CB 3.33Å; Y64-N81 HydrophobicContact CE2-CB 4.35Å; Y64-N81 WeakPolarHBondContact OH-CB 3.15Å; Y64-N81 PolarHBondContact OH-ND2 3.16Å; S77-N81 WeakPolarHBondContact O-CB 3.32Å; S77-N81 PolarHBondContact O-N 2.8Å; S77-N81 PolarHBondContact O-ND2 3.29Å; L79-N81 VanDerWaalsContact C-N 3.29Å; L79-N81 PolarHBondContact O-N 3.2Å; N81-F83 VanDerWaalsContact O-CD2 3.27Å; N81-F83 WeakPolarHBondContact O-CD2 3.29Å
82R80.7Confident64.5Low138 Ų13884.2 Ų84.252%0.52144%0.437SS..EExtended strand (participates in β ladder)trans-86112176-173.2179.9179.9-169.2-0.6110.2S50 Y52 V78 L79S50-R82 PolarHBondContact OG-NE 2.93Å; S50-R82 VanDerWaalsContact OG-NE 3.15Å; S50-R82 PolarHBondContact OG-NH2 3.38Å; Y52-R82 HydrophobicContact CD1-CB 4.11Å; Y52-R82 HydrophobicContact CE1-CB 3.7Å; Y52-R82 HydrophobicContact CE1-CG 4.02Å; V78-R82 PolarHBondContact O-N 3.48Å; L79-R82 PolarHBondContact O-N 3.41Å
83F79.6Confident64.5Low51 Ų5180.8 Ų80.822%0.22442%0.42CS..EExtended strand (participates in β ladder)trans-109.3136.3177.9-68.2-86.6000111.4V26 N27 S50 C51 F53 N81V26-F83 HydrophobicContact CG1-CB 3.96Å; N27-F83 HydrophobicContact CB-CD1 3.92Å; N27-F83 HydrophobicContact CB-CD2 4.23Å; N27-F83 HydrophobicContact CB-CE1 3.81Å; N27-F83 HydrophobicContact CB-CE2 4.13Å; N27-F83 HydrophobicContact CB-CG 4.13Å; N27-F83 HydrophobicContact CB-CZ 3.91Å; N27-F83 WeakPolarHBondContact OD1-CE1 3.43Å; N27-F83 WeakPolarHBondContact OD1-CZ 3.5Å; S50-F83 CarbonylContact C-O 3.47Å; S50-F83 WeakPolarHBondContact CA-O 3.41Å; S50-F83 VanDerWaalsContact CB-O 3.24Å; S50-F83 WeakPolarHBondContact CB-O 3.46Å; C51-F83 PolarHBondContact N-O 3.41Å; C51-F83 PolarHBondContact O-N 3.23Å; C51-F83 VanDerWaalsContact O-O 3.07Å; F53-F83 HydrophobicContact CB-CD2 3.51Å; F53-F83 HydrophobicContact CB-CE2 3.69Å; F53-F83 HydrophobicContact CG-CE2 4.48Å; N81-F83 VanDerWaalsContact O-CD2 3.27Å; N81-F83 WeakPolarHBondContact O-CD2 3.29Å
84T81.4Confident64.3Low85 Ų8582.5 Ų82.552%0.52142%0.416SS..EExtended strand (participates in β ladder)trans-70.3130.8168.9-51.10000109.2P49 R86P49-T84 WeakPolarHBondContact O-CA 3.26Å; P49-T84 WeakPolarHBondContact O-CG2 3.25Å; T84-R86 HydrophobicContact CG2-CG 4.38Å; T84-R86 PolarHBondContact O-N 3.1Å
85V77.4Confident64.2Low19 Ų1990 Ų9012%0.11544%0.443CS..  trans-76.4109.9171-178.50000107.4L24 V26 L36 L48 P49 C51L24-V85 HydrophobicContact CB-CG1 4.35Å; L24-V85 HydrophobicContact CD1-CG1 4.41Å; L24-V85 HydrophobicContact CD2-CG1 3.99Å; L24-V85 HydrophobicContact CG-CG1 4.49Å; V26-V85 HydrophobicContact CG2-CB 4.49Å; V26-V85 HydrophobicContact CG2-CG1 4.41Å; V26-V85 HydrophobicContact CG2-CG2 4.11Å; L36-V85 HydrophobicContact CD2-CG1 3.79Å; L36-V85 HydrophobicContact CD2-CG2 4.11Å; L48-V85 WeakPolarHBondContact O-CB 3.42Å; P49-V85 PolarHBondContact O-N 2.89Å; P49-V85 VanDerWaalsContact O-N 3.13Å; C51-V85 HydrophobicContact CB-CG2 4.13Å; C51-V85 VanDerWaalsContact SG-CG2 3.6Å
86R78.3Confident64.3Low163 Ų16389.9 Ų89.962%0.61544%0.441SS*.EExtended strand (participates in β ladder)trans-97.2119.8179.2-69.3-174.2177.7136.62.6109.8L24 Q25 T84L24-R86 CarbonylContact C-O 3.54Å; L24-R86 WeakPolarHBondContact CA-O 3.32Å; Q25-R86 HydrophobicContact CB-CB 4.48Å; Q25-R86 PolarHBondContact N-O 3.48Å; Q25-R86 PolarHBondContact O-N 3.4Å; Q25-R86 VanDerWaalsContact O-N 3.11Å; T84-R86 HydrophobicContact CG2-CG 4.38Å; T84-R86 PolarHBondContact O-N 3.1Å
87L72.9Confident65Low94 Ų9484.1 Ų84.149%0.49242%0.417SS..EExtended strand (participates in β ladder)trans-80118.3169.6-174.168.7000109.2F22 L24F22-L87 HydrophobicContact CB-CD1 3.66Å; F22-L87 HydrophobicContact CB-CG 4.49Å; F22-L87 HydrophobicContact CG-CD1 4.28Å; L24-L87 HydrophobicContact CD2-CB 4.4Å; L24-L87 HydrophobicContact CD2-CD1 3.57Å
88A67.6Low66.1Low38 Ų3883.2 Ų83.231%0.31441%0.411SS..EExtended strand (participates in β ladder)trans-114.2146.1170.100000109.5F22 L23 A90F22-A88 CarbonylContact C-O 3.51Å; F22-A88 WeakPolarHBondContact CA-O 3.31Å; L23-A88 HydrophobicContact CD1-CB 3.77Å; L23-A88 HydrophobicContact CG-CB 4.05Å; L23-A88 PolarHBondContact N-O 3.5Å; L23-A88 PolarHBondContact O-N 3.43Å; L23-A88 VanDerWaalsContact O-O 3.04Å; A88-A90 PolarHBondContact O-N 3.34Å; A88-A90 VanDerWaalsContact O-N 3.13Å
89V60.8Low67.3Low38 Ų3886.6 Ų86.623%0.2342%0.422CS..  trans-71.5110.2168.5-177.60000106.3F22 I91 V98 V113F22-V89 HydrophobicContact CD1-CB 4.5Å; F22-V89 HydrophobicContact CD1-CG2 4.03Å; F22-V89 HydrophobicContact CE1-CG2 4.04Å; V89-I91 PolarHBondContact O-N 2.94Å; V89-V98 HydrophobicContact CG1-CB 4.26Å; V89-V98 HydrophobicContact CG1-CG2 3.74Å; V89-V113 HydrophobicContact CG2-CG2 4.19Å
90A59.1Low68.8Low1 Ų180.2 Ų80.21%0.00839%0.389CS..  trans-65.8116.3167.200000105.7I18 D20 R21 L23 A88 P92I18-A90 HydrophobicContact CG2-CB 4.25Å; D20-A90 WeakPolarHBondContact O-CB 3.42Å; R21-A90 PolarHBondContact O-N 3.5Å; L23-A90 HydrophobicContact CB-CB 3.97Å; L23-A90 HydrophobicContact CD2-CB 3.77Å; L23-A90 HydrophobicContact CG-CB 4.08Å; A88-A90 PolarHBondContact O-N 3.34Å; A88-A90 VanDerWaalsContact O-N 3.13Å; A90-P92 WeakPolarHBondContact O-CD 3.37Å; A90-P92 VanDerWaalsContact O-N 3.1Å
91I55.7Low70Confident80 Ų8078.2 Ų78.241%0.4137%0.372SS..  trans-66.4113.3171.7-52.6170000105.7V89 F93 S109V89-I91 PolarHBondContact O-N 2.94Å; I91-F93 PolarHBondContact O-N 3.4Å; I91-S109 WeakPolarHBondContact CD1-OG 3.06Å
92P50.5Low71Confident25 Ų2580.1 Ų80.116%0.16238%0.376CS..  trans-68.8128.9174.6-9.127.1000106.6A90 R94A90-P92 WeakPolarHBondContact O-CD 3.37Å; A90-P92 VanDerWaalsContact O-N 3.1Å; P92-R94 PolarHBondContact O-N 3.14Å
93F51.8Low71.6Confident130 Ų13076.4 Ų76.457%0.5737%0.371SS*.SBendtrans-65.920.5170.8-81.1-89.8000113.5I91I91-F93 PolarHBondContact O-N 3.4Å
94R47.5Very low72.1Confident177 Ų17778.9 Ų78.967%0.66839%0.387SS*.SBendtrans-116.6143.5174.4-70.9178.6173.8159.3-1.3107.5P92 F96P92-R94 PolarHBondContact O-N 3.14Å; R94-F96 PolarHBondContact O-N 3.4Å
95Q53.3Low72.5Confident201 Ų20180.6 Ų80.694%0.93939%0.389SS*.SBendtrans-55.29.2-172.6-75.9167.9-30.700116.4
96F58.2Low72.9Confident177 Ų17782.9 Ų82.978%0.77640%0.403SS*.  trans-103.576.7170.8-52-73000110.2R94R94-F96 PolarHBondContact O-N 3.4Å
97G70.8Confident73.2Confident27 Ų2775.8 Ų75.828%0.27838%0.377SS..PPolyproline II helixtrans-68.8150.2170.300000111.7K99G97-K99 PolarHBondContact O-N 3.39Å
98V79.8Confident73.3Confident11 Ų1176.8 Ų76.87%0.06738%0.379CS..PPolyproline II helixtrans-61.5122.1174.6178.90000108.9R21 V89 I107 V120R21-V98 HydrophobicContact CG-CG2 3.63Å; V89-V98 HydrophobicContact CG1-CB 4.26Å; V89-V98 HydrophobicContact CG1-CG2 3.74Å; V98-I107 HydrophobicContact CG1-CD1 4.19Å; V98-I107 VanDerWaalsContact O-CB 3.3Å; V98-I107 WeakPolarHBondContact O-CB 3.38Å; V98-I107 WeakPolarHBondContact O-CG1 3.47Å; V98-I107 PolarHBondContact O-N 3.41Å; V98-V120 HydrophobicContact CG1-CB 4.07Å; V98-V120 HydrophobicContact CG1-CG1 4.14Å; V98-V120 HydrophobicContact CG1-CG2 4.17Å
99K86.5Confident73.6Confident113 Ų11379.4 Ų79.449%0.49140%0.395SS..BIsolated β-bridgetrans-94149.4176.963.5-177.9-178.7175.70111.3G97 Q105G97-K99 PolarHBondContact O-N 3.39Å; K99-Q105 WeakPolarHBondContact CA-O 3.46Å
100C93.5Very high74.4Confident0 Ų082.6 Ų82.60%041%0.411CS..PPolyproline II helixtrans-73.7126.9171.1170.20000109.9R102 N104 Q105 I107 V120 H122 C125C100-R102 PolarHBondContact O-N 3.21Å; C100-R102 VanDerWaalsContact O-N 3.1Å; C100-R102 PolarHBondContact SG-N 2.99Å; C100-N104 WeakPolarHBondContact O-CA 3.36Å; C100-N104 PolarHBondContact O-N 3.16Å; C100-Q105 PolarHBondContact N-O 3.39Å; C100-I107 HydrophobicContact CB-CD1 4.13Å; C100-I107 HydrophobicContact CB-CG1 4.05Å; C100-V120 CarbonylContact C-O 3.56Å; C100-V120 VanDerWaalsContact CA-O 3.28Å; C100-V120 WeakPolarHBondContact CA-O 3.49Å; C100-H122 VanDerWaalsContact CB-CE1 3.45Å; C100-H122 WeakPolarHBondContact CB-CE1 3.3Å; C100-H122 WeakPolarHBondContact CB-ND1 2.92Å; C100-H122 PolarHBondContact SG-N 3.27Å; C100-H122 VanDerWaalsContact SG-N 3.35Å; C100-C125 VanDerWaalsContact SG-CB 3.6Å
101D94Very high75.6Confident41 Ų4186.3 Ų86.322%0.21943%0.427CS..THydrogen-bonded Turntrans-66.2-14.8-177.3-71.5-78.4000114Y119 V120 Y121D101-Y119 HydrophobicContact CB-CD1 4.17Å; D101-Y119 VanDerWaalsContact OD2-CA 3.25Å; D101-Y119 WeakPolarHBondContact OD2-CA 3.17Å; D101-Y119 WeakPolarHBondContact OD2-CB 3.49Å; D101-V120 PolarHBondContact N-O 3.39Å; D101-V120 PolarHBondContact OD2-N 3.38Å; D101-V120 VanDerWaalsContact OD2-O 3.1Å; D101-Y121 HydrophobicContact CB-CD1 4.31Å; D101-Y121 HydrophobicContact CB-CE1 3.79Å
102R92.5Very high77.1Confident73 Ų7392.4 Ų92.428%0.27545%0.445SS..THydrogen-bonded Turntrans-93.6-49.9177.5-170.4175-155-133.68.6114.2C100 Y121 C125 D129C100-R102 PolarHBondContact O-N 3.21Å; C100-R102 VanDerWaalsContact O-N 3.1Å; C100-R102 PolarHBondContact SG-N 2.99Å; R102-Y121 HydrophobicContact CB-CD1 3.92Å; R102-Y121 HydrophobicContact CB-CE1 4.29Å; R102-C125 HydrophobicContact CB-CB 4.07Å; R102-C125 WeakPolarHBondContact CD-O 3.22Å; R102-C125 PolarHBondContact NE-O 2.71Å; R102-D129 IonicContact CZ-OD1 3.51Å; R102-D129 IonicContact NE-OD1 2.85Å; R102-D129 PolarHBondContact NE-OD1 3.41Å; R102-D129 VanDerWaalsContact NE-OD1 3.1Å; R102-D129 IonicContact NH2-OD1 3.35Å; R102-D129 PolarHBondContact NH2-OD1 3.5Å
103C92.7Very high78.9Confident61 Ų6193.8 Ų93.841%0.41245%0.454SS..THydrogen-bonded Turntrans-99.4-1.9-177.172.50000113.2Q105 H122C103-Q105 PolarHBondContact O-N 3.1Å; C103-H122 PolarHBondContact SG-CE1 3.08Å; C103-H122 PolarHBondContact SG-ND1 2.9Å
104N90.8Very high80.9Confident103 Ų10389.4 Ų89.455%0.55143%0.433SS*.  trans55.75.8-176.6-70.8-60.9000116C100C100-N104 WeakPolarHBondContact O-CA 3.36Å; C100-N104 PolarHBondContact O-N 3.16Å
105Q89.1Confident82.9Confident121 Ų12187.8 Ų87.857%0.56543%0.427SS*.PPolyproline II helixtrans-79.7141.9177.8-171.858.447.800110.8K99 C100 C103 I107K99-Q105 WeakPolarHBondContact CA-O 3.46Å; C100-Q105 PolarHBondContact N-O 3.39Å; C103-Q105 PolarHBondContact O-N 3.1Å; Q105-I107 PolarHBondContact O-N 3.02Å
106T86Confident84.6Confident67 Ų6778.5 Ų78.541%0.41138%0.384SS..BIsolated β-bridgetrans-59.7128.2172.2-53.50000111
107I83.4Confident86.1Confident14 Ų1477.2 Ų77.27%0.07238%0.375CS..PPolyproline II helixtrans-81.4120.9177.4-55.2-179.2000108.3V98 C100 Q105 H111 V113 V120V98-I107 HydrophobicContact CG1-CD1 4.19Å; V98-I107 VanDerWaalsContact O-CB 3.3Å; V98-I107 WeakPolarHBondContact O-CB 3.38Å; V98-I107 WeakPolarHBondContact O-CG1 3.47Å; V98-I107 PolarHBondContact O-N 3.41Å; C100-I107 HydrophobicContact CB-CD1 4.13Å; C100-I107 HydrophobicContact CB-CG1 4.05Å; Q105-I107 PolarHBondContact O-N 3.02Å; I107-H111 HydrophobicContact CG2-CB 3.94Å; I107-V113 HydrophobicContact CD1-CG1 3.85Å; I107-V113 HydrophobicContact CG2-CG1 3.36Å; I107-V120 HydrophobicContact CD1-CB 4.28Å; I107-V120 HydrophobicContact CD1-CG1 3.49Å; I107-V120 VanDerWaalsContact CD1-CG1 3.49Å
108Q75.4Confident86.7Confident115 Ų11582.5 Ų82.554%0.53739%0.392SS..PPolyproline II helixtrans-80.7158.7174.4-62.1-166.9-22.500111.2N110 H111Q108-N110 WeakPolarHBondContact CB-OD1 3.42Å; Q108-N110 PolarHBondContact O-N 3.28Å; Q108-H111 WeakPolarHBondContact O-CB 3.22Å; Q108-H111 PolarHBondContact O-N 3.01Å
109S74.2Confident87.4Confident92 Ų9284.3 Ų84.364%0.64340%0.398SS*.THydrogen-bonded Turntrans-59.5-30.7-179.3350000114.9I91 H111I91-S109 WeakPolarHBondContact CD1-OG 3.06Å; S109-H111 VanDerWaalsContact C-N 3.27Å
110N78.9Confident87.5Confident106 Ų10679 Ų7957%0.56738%0.375SS*.THydrogen-bonded Turntrans-80.3-9.4179.163.1-24.2000112.5Q108Q108-N110 WeakPolarHBondContact CB-OD1 3.42Å; Q108-N110 PolarHBondContact O-N 3.28Å
111H82.3Confident87.5Confident78 Ų7879 Ų7936%0.36138%0.375SS..SBendtrans-83.3131.9179.5-68179.3000111I107 Q108 S109 H122I107-H111 HydrophobicContact CG2-CB 3.94Å; Q108-H111 WeakPolarHBondContact O-CB 3.22Å; Q108-H111 PolarHBondContact O-N 3.01Å; S109-H111 VanDerWaalsContact C-N 3.27Å; H111-H122 AromaticContact ND1-CD2 3.68Å; H111-H122 AromaticContact ND1-NE2 3.47Å; H111-H122 PolarHBondContact ND1-NE2 2.98Å
112W87.6Confident87.4Confident208 Ų20878.1 Ų78.179%0.78837%0.37SS*.  trans-70.5135.6171.5-62.688.3000110L123W112-L123 HydrophobicContact CB-CB 3.72Å; W112-L123 HydrophobicContact CB-CD2 3.75Å; W112-L123 HydrophobicContact CB-CG 4.37Å; W112-L123 HydrophobicContact CG-CD2 4.28Å; W112-L123 WeakPolarHBondContact O-CB 3.09Å; W112-L123 PolarHBondContact O-N 3.4Å
113V89.4Confident87.3Confident55 Ų5577.5 Ų77.533%0.33337%0.371SS..EExtended strand (participates in β ladder)trans-118.8154.4-178.4-61.30000112.1V89 I107 V120 Y121V89-V113 HydrophobicContact CG2-CG2 4.19Å; I107-V113 HydrophobicContact CD1-CG1 3.85Å; I107-V113 HydrophobicContact CG2-CG1 3.36Å; V113-V120 HydrophobicContact CB-CG1 4.02Å; V113-V120 HydrophobicContact CG1-CG1 4.18Å; V113-Y121 CarbonylContact C-O 3.55Å; V113-Y121 WeakPolarHBondContact CA-O 3.17Å
114R93.6Very high87.2Confident38 Ų3877.9 Ų77.914%0.14338%0.379CS..EExtended strand (participates in β ladder)trans-118.7143.4161.7-75.4-147.8178.1158.216.7110.4V120 Y121 L123 F126 L135 S136R114-V120 CarbonylContact O-C 3.55Å; R114-V120 WeakPolarHBondContact O-CA 3.42Å; R114-Y121 PolarHBondContact N-O 2.7Å; R114-Y121 PolarHBondContact O-N 3.39Å; R114-L123 HydrophobicContact CG-CD1 3.69Å; R114-F126 HydrophobicContact CB-CB 3.96Å; R114-F126 HydrophobicContact CB-CD2 3.83Å; R114-F126 HydrophobicContact CB-CE2 4.49Å; R114-F126 HydrophobicContact CB-CG 3.88Å; R114-F126 VanDerWaalsContact CD-CD1 3.44Å; R114-F126 HydrophobicContact CG-CB 4.08Å; R114-F126 HydrophobicContact CG-CG 4.16Å; R114-L135 VanDerWaalsContact NH1-C 3.3Å; R114-L135 PolarHBondContact NH1-O 2.82Å; R114-L135 PolarHBondContact NH2-O 2.81Å; R114-S136 PolarHBondContact NH1-O 3.05Å
115R89.2Confident87.4Confident143 Ų14374 Ų7454%0.5436%0.359SS..EExtended strand (participates in β ladder)trans-114.2133.5174.6-173.8177.9170.8-143.9-1.7109.3R117 Y119R115-R117 WeakPolarHBondContact CG-O 3.48Å; R115-R117 PolarHBondContact NE-O 2.84Å; R115-R117 PolarHBondContact NH2-O 3.18Å; R115-Y119 WeakPolarHBondContact CA-O 3.48Å
116A88.4Confident87.8Confident5 Ų568.4 Ų68.44%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-132.2107.7168.400000107.9Q118 Y119 Y121 F126 F141 L143A116-Q118 PolarHBondContact O-N 2.84Å; A116-Y119 PolarHBondContact N-O 2.85Å; A116-Y119 PolarHBondContact O-N 3.35Å; A116-Y121 HydrophobicContact CB-CE2 4.19Å; A116-F126 HydrophobicContact CB-CE2 3.91Å; A116-F126 HydrophobicContact CB-CZ 4.43Å; A116-F141 HydrophobicContact CB-CE2 3.88Å; A116-F141 HydrophobicContact CB-CZ 4.03Å; A116-L143 HydrophobicContact CB-CD1 4.25Å; A116-L143 HydrophobicContact CB-CD2 3.71Å; A116-L143 WeakPolarHBondContact O-CD2 3.33Å
117R89.8Confident88.2Confident151 Ų15165.3 Ų65.357%0.5731%0.314SS*.THydrogen-bonded Turntrans54.2-117.7-169.9-56.6-175.5178.2179.5-2.4111.4R115 L143R115-R117 WeakPolarHBondContact CG-O 3.48Å; R115-R117 PolarHBondContact NE-O 2.84Å; R115-R117 PolarHBondContact NH2-O 3.18Å; R117-L143 HydrophobicContact CB-CD2 4.17Å; R117-L143 HydrophobicContact CG-CD2 3.99Å
118Q84.6Confident88.8Confident138 Ų13864.6 Ų64.665%0.64531%0.311SS*.THydrogen-bonded Turntrans-87.4-9.7179.766.6-153.219.900114.3A116A116-Q118 PolarHBondContact O-N 2.84Å
119Y92.7Very high89.8Confident48 Ų4861.6 Ų61.619%0.18830%0.298CS..EExtended strand (participates in β ladder)trans-93.7143.4-175.3-54.9-75000111.5D101 R115 A116 Y121 L143D101-Y119 HydrophobicContact CB-CD1 4.17Å; D101-Y119 VanDerWaalsContact OD2-CA 3.25Å; D101-Y119 WeakPolarHBondContact OD2-CA 3.17Å; D101-Y119 WeakPolarHBondContact OD2-CB 3.49Å; R115-Y119 WeakPolarHBondContact CA-O 3.48Å; A116-Y119 PolarHBondContact N-O 2.85Å; A116-Y119 PolarHBondContact O-N 3.35Å; Y119-Y121 VanDerWaalsContact CB-CE2 3.46Å; Y119-Y121 WeakPolarHBondContact CB-OH 3.18Å; Y119-L143 HydrophobicContact CD2-CD1 4.36Å; Y119-L143 HydrophobicContact CD2-CD2 3.86Å; Y119-L143 HydrophobicContact CD2-CG 4.38Å; Y119-L143 HydrophobicContact CE2-CD2 4.32Å
120V89.7Confident90.6Very high2 Ų261.4 Ų61.41%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-122.3131.6179.1-171.90000108.9F22 V98 C100 D101 I107 V113 R114F22-V120 HydrophobicContact CZ-CG2 4.42Å; V98-V120 HydrophobicContact CG1-CB 4.07Å; V98-V120 HydrophobicContact CG1-CG1 4.14Å; V98-V120 HydrophobicContact CG1-CG2 4.17Å; C100-V120 CarbonylContact C-O 3.56Å; C100-V120 VanDerWaalsContact CA-O 3.28Å; C100-V120 WeakPolarHBondContact CA-O 3.49Å; D101-V120 PolarHBondContact N-O 3.39Å; D101-V120 PolarHBondContact OD2-N 3.38Å; D101-V120 VanDerWaalsContact OD2-O 3.1Å; I107-V120 HydrophobicContact CD1-CB 4.28Å; I107-V120 HydrophobicContact CD1-CG1 3.49Å; I107-V120 VanDerWaalsContact CD1-CG1 3.49Å; V113-V120 HydrophobicContact CB-CG1 4.02Å; V113-V120 HydrophobicContact CG1-CG1 4.18Å; R114-V120 CarbonylContact O-C 3.55Å; R114-V120 WeakPolarHBondContact O-CA 3.42Å
121Y93.3Very high91.3Very high1 Ų157.8 Ų57.80%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-124.6148.2-178.8-53.8-92.2000109.1D101 R102 V113 R114 A116 Y119 F126 L143 S146 V148D101-Y121 HydrophobicContact CB-CD1 4.31Å; D101-Y121 HydrophobicContact CB-CE1 3.79Å; R102-Y121 HydrophobicContact CB-CD1 3.92Å; R102-Y121 HydrophobicContact CB-CE1 4.29Å; V113-Y121 CarbonylContact C-O 3.55Å; V113-Y121 WeakPolarHBondContact CA-O 3.17Å; R114-Y121 PolarHBondContact N-O 2.7Å; R114-Y121 PolarHBondContact O-N 3.39Å; A116-Y121 HydrophobicContact CB-CE2 4.19Å; Y119-Y121 VanDerWaalsContact CB-CE2 3.46Å; Y119-Y121 WeakPolarHBondContact CB-OH 3.18Å; Y121-F126 AromaticContact CD2-CD2 3.6Å; Y121-F126 HydrophobicContact CD2-CD2 3.6Å; Y121-F126 HydrophobicContact CD2-CE2 4.03Å; Y121-F126 HydrophobicContact CE2-CD2 4.2Å; Y121-F126 HydrophobicContact CE2-CE2 4.24Å; Y121-F126 AromaticContact CG-CD2 3.89Å; Y121-F126 HydrophobicContact CG-CD2 3.89Å; Y121-L143 WeakPolarHBondContact OH-CD1 3.21Å; Y121-S146 WeakPolarHBondContact OH-CA 3.41Å; Y121-S146 PolarHBondContact OH-O 3.19Å; Y121-V148 HydrophobicContact CE1-CG2 4.13Å; Y121-V148 HydrophobicContact CE2-CG2 4.27Å
122H92.4Very high91.9Very high22 Ų2259.5 Ų59.510%0.10228%0.284CS..EExtended strand (participates in β ladder)trans-57.1148.1157-61.9111.9000109C100 C103 H111 A124 C125 F126C100-H122 VanDerWaalsContact CB-CE1 3.45Å; C100-H122 WeakPolarHBondContact CB-CE1 3.3Å; C100-H122 WeakPolarHBondContact CB-ND1 2.92Å; C100-H122 PolarHBondContact SG-N 3.27Å; C100-H122 VanDerWaalsContact SG-N 3.35Å; C103-H122 PolarHBondContact SG-CE1 3.08Å; C103-H122 PolarHBondContact SG-ND1 2.9Å; H111-H122 AromaticContact ND1-CD2 3.68Å; H111-H122 AromaticContact ND1-NE2 3.47Å; H111-H122 PolarHBondContact ND1-NE2 2.98Å; H122-A124 PolarHBondContact O-N 3.29Å; H122-C125 HydrophobicContact CB-CB 3.89Å; H122-C125 CarbonylContact O-C 3.53Å; H122-C125 WeakPolarHBondContact O-CA 3.45Å; H122-C125 PolarHBondContact O-N 3.5Å; H122-F126 PolarHBondContact O-N 3Å
123L90.3Very high92.1Very high60 Ų6054.3 Ų54.331%0.31427%0.265SS..THydrogen-bonded Turntrans-55.4-39.1176.7-177.961.9000111.7W112 R114 C125 F126W112-L123 HydrophobicContact CB-CB 3.72Å; W112-L123 HydrophobicContact CB-CD2 3.75Å; W112-L123 HydrophobicContact CB-CG 4.37Å; W112-L123 HydrophobicContact CG-CD2 4.28Å; W112-L123 WeakPolarHBondContact O-CB 3.09Å; W112-L123 PolarHBondContact O-N 3.4Å; R114-L123 HydrophobicContact CG-CD1 3.69Å; L123-C125 VanDerWaalsContact C-N 3.35Å; L123-F126 PolarHBondContact O-N 2.71Å
124A91.1Very high92.4Very high68 Ų6856.4 Ų56.456%0.56227%0.271SS*.THydrogen-bonded Turntrans-70.6-29.217500000113.5H122H122-A124 PolarHBondContact O-N 3.29Å
125C94.8Very high92.4Very high22 Ų2254.7 Ų54.715%0.14926%0.264CS..THydrogen-bonded Turntrans-81.9-14.9178-66.60000112.7C100 R102 H122 L123 A127C100-C125 VanDerWaalsContact SG-CB 3.6Å; R102-C125 HydrophobicContact CB-CB 4.07Å; R102-C125 WeakPolarHBondContact CD-O 3.22Å; R102-C125 PolarHBondContact NE-O 2.71Å; H122-C125 HydrophobicContact CB-CB 3.89Å; H122-C125 CarbonylContact O-C 3.53Å; H122-C125 WeakPolarHBondContact O-CA 3.45Å; H122-C125 PolarHBondContact O-N 3.5Å; L123-C125 VanDerWaalsContact C-N 3.35Å; C125-A127 PolarHBondContact O-N 3.21Å
126F96.6Very high92.6Very high4 Ų451 Ų512%0.01826%0.26CS..  trans-76.378.5177.4-164.2-95.7000111R114 A116 Y121 H122 L123 L135 F141 V148R114-F126 HydrophobicContact CB-CB 3.96Å; R114-F126 HydrophobicContact CB-CD2 3.83Å; R114-F126 HydrophobicContact CB-CE2 4.49Å; R114-F126 HydrophobicContact CB-CG 3.88Å; R114-F126 VanDerWaalsContact CD-CD1 3.44Å; R114-F126 HydrophobicContact CG-CB 4.08Å; R114-F126 HydrophobicContact CG-CG 4.16Å; A116-F126 HydrophobicContact CB-CE2 3.91Å; A116-F126 HydrophobicContact CB-CZ 4.43Å; Y121-F126 AromaticContact CD2-CD2 3.6Å; Y121-F126 HydrophobicContact CD2-CD2 3.6Å; Y121-F126 HydrophobicContact CD2-CE2 4.03Å; Y121-F126 HydrophobicContact CE2-CD2 4.2Å; Y121-F126 HydrophobicContact CE2-CE2 4.24Å; Y121-F126 AromaticContact CG-CD2 3.89Å; Y121-F126 HydrophobicContact CG-CD2 3.89Å; H122-F126 PolarHBondContact O-N 3Å; L123-F126 PolarHBondContact O-N 2.71Å; F126-L135 HydrophobicContact CD1-CB 3.93Å; F126-L135 HydrophobicContact CD1-CD1 4.4Å; F126-L135 HydrophobicContact CE1-CB 3.99Å; F126-L135 HydrophobicContact CE1-CD1 4Å; F126-L135 PolarHBondContact O-N 3.35Å; F126-F141 HydrophobicContact CE1-CD1 4.24Å; F126-F141 HydrophobicContact CE1-CE1 4.35Å; F126-F141 HydrophobicContact CE1-CG 4.4Å; F126-F141 HydrophobicContact CE2-CE2 4.38Å; F126-F141 HydrophobicContact CZ-CD1 4.05Å; F126-F141 AromaticContact CZ-CD2 3.89Å; F126-F141 HydrophobicContact CZ-CD2 3.89Å; F126-F141 AromaticContact CZ-CE1 3.88Å; F126-F141 HydrophobicContact CZ-CE1 3.88Å; F126-F141 AromaticContact CZ-CE2 3.71Å; F126-F141 HydrophobicContact CZ-CE2 3.71Å; F126-F141 HydrophobicContact CZ-CG 4.07Å; F126-F141 AromaticContact CZ-CZ 3.71Å; F126-F141 HydrophobicContact CZ-CZ 3.71Å; F126-V148 HydrophobicContact CD2-CG2 4.1Å; F126-V148 HydrophobicContact CE1-CG1 4.26Å; F126-V148 HydrophobicContact CE2-CG1 4.19Å; F126-V148 HydrophobicContact CE2-CG2 3.82Å; F126-V148 HydrophobicContact CZ-CG1 4.04Å; F126-V148 HydrophobicContact CZ-CG2 4.44Å
127A95.6Very high92.6Very high1 Ų157 Ų571%0.00830%0.296CS..BIsolated β-bridgetrans-137.3152.1-173.900000110.5C125 D129 R133 Q134C125-A127 PolarHBondContact O-N 3.21Å; A127-D129 PolarHBondContact O-N 3.21Å; A127-R133 CarbonylContact C-O 3.48Å; A127-R133 WeakPolarHBondContact CA-O 3.43Å; A127-R133 WeakPolarHBondContact CB-O 2.84Å; A127-Q134 HydrophobicContact CB-CB 4.4Å
128C95.6Very high92.7Very high0 Ų053.6 Ų53.60%031%0.309CS..  trans-65.9130.8177.5171.10000111T130 C131 Q132 R133 V148 C150 H153C128-T130 VanDerWaalsContact C-N 3.3Å; C128-T130 PolarHBondContact O-N 2.82Å; C128-C131 WeakPolarHBondContact CB-SG 3.39Å; C128-C131 VanDerWaalsContact SG-SG 3.62Å; C128-Q132 WeakPolarHBondContact O-CA 3.21Å; C128-Q132 PolarHBondContact O-N 2.96Å; C128-R133 PolarHBondContact N-O 3.14Å; C128-V148 CarbonylContact C-O 3.6Å; C128-V148 WeakPolarHBondContact CA-O 3.01Å; C128-C150 HydrophobicContact CB-CB 4Å; C128-C150 PolarHBondContact SG-N 2.97Å; C128-C150 VanDerWaalsContact SG-N 3.36Å; C128-H153 PolarHBondContact SG-ND1 3.47Å
129D95.1Very high93Very high51 Ų5149.3 Ų49.327%0.27329%0.289SS..THydrogen-bonded Turntrans-67.2-28.7-177.4-74.7-17.7000113.9R102 A127 Q132 R147 V148R102-D129 IonicContact CZ-OD1 3.51Å; R102-D129 IonicContact NE-OD1 2.85Å; R102-D129 PolarHBondContact NE-OD1 3.41Å; R102-D129 VanDerWaalsContact NE-OD1 3.1Å; R102-D129 IonicContact NH2-OD1 3.35Å; R102-D129 PolarHBondContact NH2-OD1 3.5Å; A127-D129 PolarHBondContact O-N 3.21Å; D129-Q132 PolarHBondContact O-NE2 2.96Å; D129-R147 WeakPolarHBondContact OD2-CA 3.41Å; D129-R147 VanDerWaalsContact OD2-CB 3.23Å; D129-R147 WeakPolarHBondContact OD2-CB 3.23Å; D129-R147 VanDerWaalsContact OD2-CG 3.29Å; D129-R147 WeakPolarHBondContact OD2-CG 3.2Å; D129-V148 PolarHBondContact N-O 3.45Å
130T92.7Very high93.1Very high89 Ų8953 Ų5355%0.54631%0.308SS..THydrogen-bonded Turntrans-80.6-41.6178.7-46.80000113.2C128 L149 H153C128-T130 VanDerWaalsContact C-N 3.3Å; C128-T130 PolarHBondContact O-N 2.82Å; T130-L149 WeakPolarHBondContact OG1-CD2 3.16Å; T130-H153 WeakPolarHBondContact CB-ND1 3.38Å
131C92.8Very high93.3Very high30 Ų3057 Ų5720%0.20333%0.325CS..THydrogen-bonded Turntrans-100.4-9.4179.151.10000114.4C128 R133 H153C128-C131 WeakPolarHBondContact CB-SG 3.39Å; C128-C131 VanDerWaalsContact SG-SG 3.62Å; C131-R133 HydrophobicContact CB-CB 4.34Å; C131-R133 PolarHBondContact O-N 3.48Å; C131-R133 VanDerWaalsContact O-N 3.08Å; C131-R133 WeakPolarHBondContact SG-CB 3.19Å; C131-H153 WeakPolarHBondContact CB-CE1 3.45Å; C131-H153 PolarHBondContact N-CE1 3.24Å; C131-H153 VanDerWaalsContact N-CE1 3.29Å; C131-H153 PolarHBondContact SG-CE1 3.48Å
132Q94.1Very high93.4Very high114 Ų11457.5 Ų57.553%0.53333%0.33SS..  trans58.913.6-172.5-58.3-65-26.300113.9C128 D129 Q134C128-Q132 WeakPolarHBondContact O-CA 3.21Å; C128-Q132 PolarHBondContact O-N 2.96Å; D129-Q132 PolarHBondContact O-NE2 2.96Å; Q132-Q134 PolarHBondContact O-N 3.41Å
133R93.3Very high93.5Very high99 Ų9958 Ų5837%0.37433%0.333SS..PPolyproline II helixtrans-76120.7179.5-17517868.883.9-12.2109.6A127 C128 C131 L135 E139A127-R133 CarbonylContact C-O 3.48Å; A127-R133 WeakPolarHBondContact CA-O 3.43Å; A127-R133 WeakPolarHBondContact CB-O 2.84Å; C128-R133 PolarHBondContact N-O 3.14Å; C131-R133 HydrophobicContact CB-CB 4.34Å; C131-R133 PolarHBondContact O-N 3.48Å; C131-R133 VanDerWaalsContact O-N 3.08Å; C131-R133 WeakPolarHBondContact SG-CB 3.19Å; R133-L135 PolarHBondContact O-N 2.7Å; R133-E139 IonicContact CZ-OE1 2.69Å; R133-E139 IonicContact CZ-OE2 3.78Å; R133-E139 VanDerWaalsContact NH1-CD 3.26Å; R133-E139 IonicContact NH1-OE1 3.1Å; R133-E139 PolarHBondContact NH1-OE1 3.44Å; R133-E139 IonicContact NH1-OE2 2.74Å; R133-E139 PolarHBondContact NH1-OE2 2.84Å; R133-E139 IonicContact NH2-OE1 3.9Å; R133-E139 PolarHBondContact NH2-OE1 3.46Å; R133-E139 IonicContact NH2-OE2 3.26Å
134Q94.8Very high93.5Very high98 Ų9859.1 Ų59.146%0.45834%0.337SS..BIsolated β-bridgetrans-61.1129.6169.5-168-174.2-55.100109.7A127 Q132A127-Q134 HydrophobicContact CB-CB 4.4Å; Q132-Q134 PolarHBondContact O-N 3.41Å
135L93.8Very high93.4Very high2 Ų261.1 Ų61.11%0.0134%0.338CS..PPolyproline II helixtrans-87.4146.3180-56.3175.7000109.3R114 F126 R133 E139 F141 V148 C150R114-L135 VanDerWaalsContact NH1-C 3.3Å; R114-L135 PolarHBondContact NH1-O 2.82Å; R114-L135 PolarHBondContact NH2-O 2.81Å; F126-L135 HydrophobicContact CD1-CB 3.93Å; F126-L135 HydrophobicContact CD1-CD1 4.4Å; F126-L135 HydrophobicContact CE1-CB 3.99Å; F126-L135 HydrophobicContact CE1-CD1 4Å; F126-L135 PolarHBondContact O-N 3.35Å; R133-L135 PolarHBondContact O-N 2.7Å; L135-E139 WeakPolarHBondContact CA-OE2 3.44Å; L135-F141 HydrophobicContact CD1-CB 3.61Å; L135-F141 HydrophobicContact CD1-CG 4.36Å; L135-V148 HydrophobicContact CD1-CG1 3.6Å; L135-C150 HydrophobicContact CD2-CB 3.81Å
136S92.3Very high93.2Very high65 Ų6562 Ų6246%0.45534%0.344SS..PPolyproline II helixtrans-97.6171.1174.657.50000112R114 E139R114-S136 PolarHBondContact NH1-O 3.05Å; S136-E139 PolarHBondContact N-OE2 2.78Å; S136-E139 PolarHBondContact O-N 3.33Å; S136-E139 WeakPolarHBondContact OG-CG 3.48Å
137T90.1Very high93Very high131 Ų13168.3 Ų68.380%0.80437%0.368SS*.THydrogen-bonded Turntrans-64137.3171.6-50.90000109.4
138G90.7Very high93Very high81 Ų8168.4 Ų68.484%0.83537%0.369SS*.THydrogen-bonded Turntrans86.3-3.5-178.600000115.2
139E91.9Very high93Very high48 Ų4869 Ų6922%0.22437%0.372CS..  trans-83.5139.6171.4-67.3-168.5121.800111.5R133 L135 S136R133-E139 IonicContact CZ-OE1 2.69Å; R133-E139 IonicContact CZ-OE2 3.78Å; R133-E139 VanDerWaalsContact NH1-CD 3.26Å; R133-E139 IonicContact NH1-OE1 3.1Å; R133-E139 PolarHBondContact NH1-OE1 3.44Å; R133-E139 IonicContact NH1-OE2 2.74Å; R133-E139 PolarHBondContact NH1-OE2 2.84Å; R133-E139 IonicContact NH2-OE1 3.9Å; R133-E139 PolarHBondContact NH2-OE1 3.46Å; R133-E139 IonicContact NH2-OE2 3.26Å; L135-E139 WeakPolarHBondContact CA-OE2 3.44Å; S136-E139 PolarHBondContact N-OE2 2.78Å; S136-E139 PolarHBondContact O-N 3.33Å; S136-E139 WeakPolarHBondContact OG-CG 3.48Å
140E93.9Very high93Very high124 Ų12466.9 Ų66.958%0.57936%0.361SS*.  trans-74.7138.4172.7-64.2176.111400111.1K151E140-K151 HydrophobicContact CB-CB 4.23Å; E140-K151 HydrophobicContact CB-CD 4.37Å; E140-K151 PolarHBondContact O-N 3.43Å; E140-K151 IonicContact OE1-NZ 3.78Å; E140-K151 VanDerWaalsContact OE2-CD 3.23Å; E140-K151 WeakPolarHBondContact OE2-CD 3.13Å; E140-K151 WeakPolarHBondContact OE2-CE 3.3Å; E140-K151 IonicContact OE2-NZ 3.35Å; E140-K151 PolarHBondContact OE2-NZ 3.42Å
141F94.8Very high92.9Very high86 Ų8667.5 Ų67.538%0.37736%0.356SS..EExtended strand (participates in β ladder)trans-147.5155.8-179.870.4-88000110.5A116 F126 L135 L143 V148 L149A116-F141 HydrophobicContact CB-CE2 3.88Å; A116-F141 HydrophobicContact CB-CZ 4.03Å; F126-F141 HydrophobicContact CE1-CD1 4.24Å; F126-F141 HydrophobicContact CE1-CE1 4.35Å; F126-F141 HydrophobicContact CE1-CG 4.4Å; F126-F141 HydrophobicContact CE2-CE2 4.38Å; F126-F141 HydrophobicContact CZ-CD1 4.05Å; F126-F141 AromaticContact CZ-CD2 3.89Å; F126-F141 HydrophobicContact CZ-CD2 3.89Å; F126-F141 AromaticContact CZ-CE1 3.88Å; F126-F141 HydrophobicContact CZ-CE1 3.88Å; F126-F141 AromaticContact CZ-CE2 3.71Å; F126-F141 HydrophobicContact CZ-CE2 3.71Å; F126-F141 HydrophobicContact CZ-CG 4.07Å; F126-F141 AromaticContact CZ-CZ 3.71Å; F126-F141 HydrophobicContact CZ-CZ 3.71Å; L135-F141 HydrophobicContact CD1-CB 3.61Å; L135-F141 HydrophobicContact CD1-CG 4.36Å; F141-L143 HydrophobicContact CE2-CB 4.3Å; F141-V148 HydrophobicContact CD2-CG1 4.35Å; F141-L149 CarbonylContact C-O 3.45Å; F141-L149 WeakPolarHBondContact CA-O 3.2Å; F141-L149 VanDerWaalsContact CB-O 3.3Å; F141-L149 WeakPolarHBondContact CB-O 3.41Å
142A94.5Very high92.8Very high13 Ų1371.4 Ų71.411%0.10737%0.371CS..EExtended strand (participates in β ladder)trans-106151.1168.100000110L149 Y154A142-L149 HydrophobicContact CB-CB 4.43Å; A142-L149 PolarHBondContact N-O 2.91Å; A142-L149 PolarHBondContact O-N 3.12Å; A142-Y154 HydrophobicContact CB-CD1 3.81Å; A142-Y154 HydrophobicContact CB-CD2 3.16Å; A142-Y154 HydrophobicContact CB-CE1 4.23Å; A142-Y154 HydrophobicContact CB-CE2 3.65Å; A142-Y154 HydrophobicContact CB-CG 3.24Å
143L95Very high92.7Very high32 Ų3267.3 Ų67.317%0.16835%0.352CS..EExtended strand (participates in β ladder)trans-128.4118179.8-176.370000108.3A116 R117 Y119 Y121 F141 R147 V148A116-L143 HydrophobicContact CB-CD1 4.25Å; A116-L143 HydrophobicContact CB-CD2 3.71Å; A116-L143 WeakPolarHBondContact O-CD2 3.33Å; R117-L143 HydrophobicContact CB-CD2 4.17Å; R117-L143 HydrophobicContact CG-CD2 3.99Å; Y119-L143 HydrophobicContact CD2-CD1 4.36Å; Y119-L143 HydrophobicContact CD2-CD2 3.86Å; Y119-L143 HydrophobicContact CD2-CG 4.38Å; Y119-L143 HydrophobicContact CE2-CD2 4.32Å; Y121-L143 WeakPolarHBondContact OH-CD1 3.21Å; F141-L143 HydrophobicContact CE2-CB 4.3Å; L143-R147 WeakPolarHBondContact CA-O 3.38Å; L143-V148 HydrophobicContact CD1-CG2 3.9Å
144Q89.5Confident92.7Very high83 Ų8366.9 Ų66.939%0.38835%0.351SS..EExtended strand (participates in β ladder)trans-133.5111.8-178.8-175.2173.71.200109S146 R147Q144-S146 PolarHBondContact O-N 2.95Å; Q144-R147 PolarHBondContact N-O 3.34Å; Q144-R147 WeakPolarHBondContact O-CA 3.34Å; Q144-R147 WeakPolarHBondContact O-CB 3.35Å; Q144-R147 PolarHBondContact O-N 3.49Å
145D89.3Confident92.5Very high110 Ų11066.3 Ų66.359%0.58835%0.349SS*.THydrogen-bonded Turntrans46.954.3177.8-52.5-42.3000113.9R147D145-R147 PolarHBondContact O-N 2.87Å; D145-R147 VanDerWaalsContact O-N 3.14Å
146S90Very high92.2Very high40 Ų4070.9 Ų70.928%0.2837%0.37SS..THydrogen-bonded Turntrans68.2-6.5-173.578.30000116.8Y121 Q144Y121-S146 WeakPolarHBondContact OH-CA 3.41Å; Y121-S146 PolarHBondContact OH-O 3.19Å; Q144-S146 PolarHBondContact O-N 2.95Å
147R94Very high91.9Very high138 Ų13872.1 Ų72.152%0.52137%0.372SS..EExtended strand (participates in β ladder)trans-83.2126.3174.7-62.4-176.1-93.5-146.6-5.8110.3D129 L143 Q144 D145D129-R147 WeakPolarHBondContact OD2-CA 3.41Å; D129-R147 VanDerWaalsContact OD2-CB 3.23Å; D129-R147 WeakPolarHBondContact OD2-CB 3.23Å; D129-R147 VanDerWaalsContact OD2-CG 3.29Å; D129-R147 WeakPolarHBondContact OD2-CG 3.2Å; L143-R147 WeakPolarHBondContact CA-O 3.38Å; Q144-R147 PolarHBondContact N-O 3.34Å; Q144-R147 WeakPolarHBondContact O-CA 3.34Å; Q144-R147 WeakPolarHBondContact O-CB 3.35Å; Q144-R147 PolarHBondContact O-N 3.49Å; D145-R147 PolarHBondContact O-N 2.87Å; D145-R147 VanDerWaalsContact O-N 3.14Å
148V95.5Very high91.6Very high3 Ų370.5 Ų70.52%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-95.2130.7177.2177.30000108Y121 F126 C128 D129 L135 F141 L143Y121-V148 HydrophobicContact CE1-CG2 4.13Å; Y121-V148 HydrophobicContact CE2-CG2 4.27Å; F126-V148 HydrophobicContact CD2-CG2 4.1Å; F126-V148 HydrophobicContact CE1-CG1 4.26Å; F126-V148 HydrophobicContact CE2-CG1 4.19Å; F126-V148 HydrophobicContact CE2-CG2 3.82Å; F126-V148 HydrophobicContact CZ-CG1 4.04Å; F126-V148 HydrophobicContact CZ-CG2 4.44Å; C128-V148 CarbonylContact C-O 3.6Å; C128-V148 WeakPolarHBondContact CA-O 3.01Å; D129-V148 PolarHBondContact N-O 3.45Å; L135-V148 HydrophobicContact CD1-CG1 3.6Å; F141-V148 HydrophobicContact CD2-CG1 4.35Å; L143-V148 HydrophobicContact CD1-CG2 3.9Å
149L94.7Very high91.2Very high13 Ų1372.7 Ų72.77%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-126.6137.7176.1-66.5174.9000110.1T130 F141 A142 L157T130-L149 WeakPolarHBondContact OG1-CD2 3.16Å; F141-L149 CarbonylContact C-O 3.45Å; F141-L149 WeakPolarHBondContact CA-O 3.2Å; F141-L149 VanDerWaalsContact CB-O 3.3Å; F141-L149 WeakPolarHBondContact CB-O 3.41Å; A142-L149 HydrophobicContact CB-CB 4.43Å; A142-L149 PolarHBondContact N-O 2.91Å; A142-L149 PolarHBondContact O-N 3.12Å; L149-L157 HydrophobicContact CD1-CD1 4.34Å
150C94.8Very high89.9Confident6 Ų673.5 Ų73.54%0.04137%0.371CS..EExtended strand (participates in β ladder)trans-71.8154.5171.266.80000109.9C128 L135 Q152 H153 Y154C128-C150 HydrophobicContact CB-CB 4Å; C128-C150 PolarHBondContact SG-N 2.97Å; C128-C150 VanDerWaalsContact SG-N 3.36Å; L135-C150 HydrophobicContact CD2-CB 3.81Å; C150-Q152 PolarHBondContact O-N 3.22Å; C150-H153 PolarHBondContact O-N 3.03Å; C150-H153 VanDerWaalsContact O-N 3.07Å; C150-H153 PolarHBondContact SG-ND1 3.45Å; C150-Y154 PolarHBondContact O-N 3.35Å
151K91.4Very high88.3Confident101 Ų10175.1 Ų75.144%0.43938%0.384SS..Hα-helixtrans-39.7-50.9177.1-175.7-178.3-167.7162.70114E140 H153 Y154 M155E140-K151 HydrophobicContact CB-CB 4.23Å; E140-K151 HydrophobicContact CB-CD 4.37Å; E140-K151 PolarHBondContact O-N 3.43Å; E140-K151 IonicContact OE1-NZ 3.78Å; E140-K151 VanDerWaalsContact OE2-CD 3.23Å; E140-K151 WeakPolarHBondContact OE2-CD 3.13Å; E140-K151 WeakPolarHBondContact OE2-CE 3.3Å; E140-K151 IonicContact OE2-NZ 3.35Å; E140-K151 PolarHBondContact OE2-NZ 3.42Å; K151-H153 PolarHBondContact O-N 3.37Å; K151-Y154 PolarHBondContact O-N 3.49Å; K151-M155 HydrophobicContact CD-SD 4.48Å; K151-M155 HydrophobicContact CG-CG 4.43Å; K151-M155 HydrophobicContact CG-SD 3.98Å; K151-M155 WeakPolarHBondContact O-CG 3.48Å; K151-M155 PolarHBondContact O-N 3.47Å
152Q90.9Very high86.2Confident112 Ų11274.4 Ų74.452%0.52340%0.401SS..Hα-helixtrans-55.6-53.7-178-177.358.439.100112.8C150 Y154 M155 E156C150-Q152 PolarHBondContact O-N 3.22Å; Q152-Y154 VanDerWaalsContact C-N 3.31Å; Q152-Y154 PolarHBondContact O-N 2.82Å; Q152-M155 PolarHBondContact O-N 3.28Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.24Å; Q152-E156 PolarHBondContact NE2-OE1 3.1Å; Q152-E156 WeakPolarHBondContact O-CG 3.27Å; Q152-E156 PolarHBondContact O-N 2.86Å
153H92.5Very high83.7Confident28 Ų2877 Ų7713%0.1343%0.429CS..Hα-helixtrans-72.2-25.1-179.1-65.1158.9000113.5C128 T130 C131 C150 K151 E156 L157C128-H153 PolarHBondContact SG-ND1 3.47Å; T130-H153 WeakPolarHBondContact CB-ND1 3.38Å; C131-H153 WeakPolarHBondContact CB-CE1 3.45Å; C131-H153 PolarHBondContact N-CE1 3.24Å; C131-H153 VanDerWaalsContact N-CE1 3.29Å; C131-H153 PolarHBondContact SG-CE1 3.48Å; C150-H153 PolarHBondContact O-N 3.03Å; C150-H153 VanDerWaalsContact O-N 3.07Å; C150-H153 PolarHBondContact SG-ND1 3.45Å; K151-H153 PolarHBondContact O-N 3.37Å; H153-E156 IonicContact CD2-OE2 2.84Å; H153-E156 PolarHBondContact CD2-OE2 2.84Å; H153-L157 WeakPolarHBondContact O-CB 3.24Å; H153-L157 PolarHBondContact O-N 3.47Å
154Y92.9Very high81.2Confident90 Ų9084.9 Ų84.935%0.35346%0.461SS..Hα-helixtrans-68.1-43.8170.5179.3-114.3000111.3A142 C150 K151 Q152 L157 L158A142-Y154 HydrophobicContact CB-CD1 3.81Å; A142-Y154 HydrophobicContact CB-CD2 3.16Å; A142-Y154 HydrophobicContact CB-CE1 4.23Å; A142-Y154 HydrophobicContact CB-CE2 3.65Å; A142-Y154 HydrophobicContact CB-CG 3.24Å; C150-Y154 PolarHBondContact O-N 3.35Å; K151-Y154 PolarHBondContact O-N 3.49Å; Q152-Y154 VanDerWaalsContact C-N 3.31Å; Q152-Y154 PolarHBondContact O-N 2.82Å; Y154-L157 WeakPolarHBondContact O-CB 3.44Å; Y154-L157 PolarHBondContact O-N 2.85Å; Y154-L158 HydrophobicContact CD1-CD1 4.12Å; Y154-L158 HydrophobicContact CE1-CD1 3.59Å; Y154-L158 HydrophobicContact CE1-CG 4.28Å; Y154-L158 HydrophobicContact CE2-CD2 4.48Å; Y154-L158 HydrophobicContact CE2-CG 4.47Å; Y154-L158 PolarHBondContact O-N 3.33Å; Y154-L158 VanDerWaalsContact O-N 3.12Å
155M90.2Very high78.9Confident86 Ų8687.9 Ų87.942%0.42448%0.479SS..Hα-helixtrans-61.7-44.5175.8-68.7179.47000111.7K151 Q152 L157 L158 D159K151-M155 HydrophobicContact CD-SD 4.48Å; K151-M155 HydrophobicContact CG-CG 4.43Å; K151-M155 HydrophobicContact CG-SD 3.98Å; K151-M155 WeakPolarHBondContact O-CG 3.48Å; K151-M155 PolarHBondContact O-N 3.47Å; Q152-M155 PolarHBondContact O-N 3.28Å; M155-L157 PolarHBondContact O-N 3.44Å; M155-L158 PolarHBondContact O-N 2.79Å; M155-D159 PolarHBondContact O-N 2.99Å
156E88Confident76.8Confident98 Ų9889.6 Ų89.646%0.45849%0.488SS..Hα-helixtrans-59.2-32.4175.5-72.5168.2-161.800113.1Q152 H153Q152-E156 WeakPolarHBondContact CG-OE1 3.24Å; Q152-E156 PolarHBondContact NE2-OE1 3.1Å; Q152-E156 WeakPolarHBondContact O-CG 3.27Å; Q152-E156 PolarHBondContact O-N 2.86Å; H153-E156 IonicContact CD2-OE2 2.84Å; H153-E156 PolarHBondContact CD2-OE2 2.84Å
157L84.8Confident74.7Confident92 Ų9294.3 Ų94.348%0.48251%0.509SS..Hα-helixtrans-72.8-33.9176-172.2143.3000112.1L149 H153 Y154 M155L149-L157 HydrophobicContact CD1-CD1 4.34Å; H153-L157 WeakPolarHBondContact O-CB 3.24Å; H153-L157 PolarHBondContact O-N 3.47Å; Y154-L157 WeakPolarHBondContact O-CB 3.44Å; Y154-L157 PolarHBondContact O-N 2.85Å; M155-L157 PolarHBondContact O-N 3.44Å
158L84.4Confident72.2Confident97 Ų9793.7 Ų93.751%0.50852%0.521SS..Hα-helixtrans-72.6-37.8175.4-67.3177.4000112.4Y154 M155 G160Y154-L158 HydrophobicContact CD1-CD1 4.12Å; Y154-L158 HydrophobicContact CE1-CD1 3.59Å; Y154-L158 HydrophobicContact CE1-CG 4.28Å; Y154-L158 HydrophobicContact CE2-CD2 4.48Å; Y154-L158 HydrophobicContact CE2-CG 4.47Å; Y154-L158 PolarHBondContact O-N 3.33Å; Y154-L158 VanDerWaalsContact O-N 3.12Å; M155-L158 PolarHBondContact O-N 2.79Å; L158-G160 PolarHBondContact O-N 3.36Å
159D82.1Confident69.9Low127 Ų127100.4 Ų100.468%0.67955%0.551SS**Hα-helixtrans-65.6-18.8177.9-66.6-26.1000112.1M155M155-D159 PolarHBondContact O-N 2.99Å
160G64.8Low67.6Low64 Ų64107.4 Ų107.466%0.6658%0.583SS**THydrogen-bonded Turntrans-81.3-9.8-173.100000117.3L158L158-G160 PolarHBondContact O-N 3.36Å
161D61Low65.1Low159 Ų159116.5 Ų116.585%0.8562%0.622SS**THydrogen-bonded Turntrans-958.2-178.1-156.229.2000113.5
162G50.2Low62.9Low71 Ų71120.2 Ų120.273%0.73264%0.641SS**SBendtrans-10437.1-177.700000115.7
163G42.6Very low61Low67 Ų67120.8 Ų120.869%0.69164%0.642SS**  trans91.3130.6159.400000119
164K41Very low59.2Low197 Ų197126.5 Ų126.586%0.85768%0.679SS**  trans79.898.2157.2-63.9-176177176.90119.4
165I41.3Very low57.8Low147 Ų147129 Ų12975%0.75469%0.692SS**  51.2114.8121.4-58.7167.7000118
166D44.8Very low56.8Low145 Ų145135.4 Ų135.478%0.77571%0.711SS**  trans43.377.6147.7-57.1-33.2000118.5
167L46.7Very low56Low140 Ų140137.2 Ų137.273%0.73373%0.728SS**  trans-132111.1142.6-73.6173.4000109.3H169L167-H169 PolarHBondContact O-N 2.89Å
168V42.6Very low55.8Low125 Ų125143 Ų14376%0.75874%0.744SS**  trans-57.973.2167.9-174.80000109H170V168-H170 WeakPolarHBondContact CG1-ND1 3.13Å; V168-H170 PolarHBondContact O-N 3.23Å
169H46.4Very low55.8Low143 Ų143142.4 Ų142.466%0.66274%0.744SS**  trans-94.886.6166.2-76.5112000106.7L167 K171L167-H169 PolarHBondContact O-N 2.89Å; H169-K171 PolarHBondContact O-N 3.44Å
170H47Very low56.2Low161 Ų161142.3 Ų142.375%0.74575%0.749SS**  trans-59.873.3155.5-78.546.9000107.9V168 Q172V168-H170 WeakPolarHBondContact CG1-ND1 3.13Å; V168-H170 PolarHBondContact O-N 3.23Å; H170-Q172 PolarHBondContact O-N 3Å
171K41Very low57.6Low197 Ų197142.4 Ų142.486%0.85773%0.731SS**  trans-75.8104.7-177.6-150.1175.5-177.7-176.20106.3H169 K173H169-K171 PolarHBondContact O-N 3.44Å; K171-K173 PolarHBondContact O-N 3.07Å
172Q45Very low59.3Low179 Ų179138.4 Ų138.484%0.83671%0.712SS**  trans-63.993.3-169.6-64.9174.22.900110.8H170 T174H170-Q172 PolarHBondContact O-N 3Å; Q172-T174 PolarHBondContact O-N 3.45Å
173K52.7Low61.5Low124 Ų124140.8 Ų140.854%0.53970%0.704SS.*  trans22.784.3136-132.1166.6-177.5165.10114.2K171 K175K171-K173 PolarHBondContact O-N 3.07Å; K173-K175 HydrophobicContact CG-CG 4.1Å; K173-K175 PolarHBondContact O-N 3.03Å
174T53.8Low64Low147 Ų147144 Ų14490%0.90270%0.701SS**  trans-73.674.3167.340.90000109.9Q172Q172-T174 PolarHBondContact O-N 3.45Å
175K63.6Low66.7Low143 Ų143136.1 Ų136.162%0.62267%0.668SS**  trans-70.7130.1169.2-71.8177.2176174.50108.2K173 V177K173-K175 HydrophobicContact CG-CG 4.1Å; K173-K175 PolarHBondContact O-N 3.03Å; K175-V177 PolarHBondContact O-N 3.21Å
176R68.4Low69.4Low220 Ų220131.1 Ų131.183%0.8364%0.642SS**  trans-60.7108.7163.8-71.7-175.9-75-176.6-3.1107.6R178R176-R178 PolarHBondContact O-N 3.26Å
177V71.6Confident71.9Confident136 Ų136129.5 Ų129.582%0.82463%0.63SS**PPolyproline II helixtrans-65.7118.1176.3179.50000106.9K175 T179K175-V177 PolarHBondContact O-N 3.21Å; V177-T179 PolarHBondContact O-N 2.83Å
178R81.8Confident74.3Confident215 Ų215124.8 Ų124.881%0.81161%0.605SS**PPolyproline II helixtrans-69.2125.2173.9-177.8174.8-178163.4-0.9107.7R176 T180R176-R178 PolarHBondContact O-N 3.26Å; R178-T180 PolarHBondContact O-N 3.29Å
179T83.6Confident76.9Confident84 Ų84118.8 Ų118.852%0.51557%0.569SS.*PPolyproline II helixtrans-61.3130.8171.947.20000109.5V177V177-T179 PolarHBondContact O-N 2.83Å
180T89.8Confident79.3Confident125 Ų125116.7 Ų116.777%0.76756%0.559SS**  trans-106.3140.5171.254.30000107.7R178R178-T180 PolarHBondContact O-N 3.29Å
181F95Very high81.7Confident65 Ų65111.4 Ų111.429%0.28554%0.543SS..  trans-97.8141.7177.8-58.1-65.2000108.7Q185 L186 L213 V217 W221F181-Q185 HydrophobicContact CB-CB 4.47Å; F181-L186 HydrophobicContact CB-CD1 4.4Å; F181-L186 HydrophobicContact CB-CD2 3.86Å; F181-L186 HydrophobicContact CB-CG 3.82Å; F181-L186 HydrophobicContact CD2-CD2 4.07Å; F181-L186 HydrophobicContact CG-CD2 4.19Å; F181-L213 HydrophobicContact CD1-CD1 3.75Å; F181-L213 HydrophobicContact CD1-CD2 3.97Å; F181-L213 HydrophobicContact CE1-CD1 3.65Å; F181-L213 HydrophobicContact CE1-CD2 4.01Å; F181-L213 HydrophobicContact CE1-CG 4.49Å; F181-V217 HydrophobicContact CE1-CG1 3.51Å; F181-V217 HydrophobicContact CZ-CG1 3.75Å; F181-W221 AromaticContact CE2-CD1 3.7Å; F181-W221 AromaticContact CZ-CD1 3.9Å
182T96Very high84.3Confident75 Ų75104.6 Ų104.646%0.4652%0.517SS..  trans-72.1160.3166.868.20000109.9E184 Q185 L186T182-E184 VanDerWaalsContact C-N 3.28Å; T182-E184 PolarHBondContact O-N 2.93Å; T182-Q185 PolarHBondContact O-N 3.04Å; T182-Q185 WeakPolarHBondContact OG1-CB 3.36Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.23Å; T182-Q185 PolarHBondContact OG1-N 2.96Å; T182-Q185 PolarHBondContact OG1-OE1 3.06Å; T182-L186 WeakPolarHBondContact O-CG 3.42Å; T182-L186 PolarHBondContact O-N 2.95Å
183E96.5Very high86.8Confident122 Ų12297.7 Ų97.757%0.5748%0.484SS*.Hα-helixtrans-59.9-41.4176-172.357.9-144.700111.3Q185 L186 Q187E183-Q185 PolarHBondContact O-N 3.13Å; E183-L186 WeakPolarHBondContact O-CB 3.38Å; E183-L186 PolarHBondContact O-N 3.11Å; E183-L186 VanDerWaalsContact O-N 3.14Å; E183-Q187 WeakPolarHBondContact O-CG 3.5Å; E183-Q187 PolarHBondContact O-N 2.92Å
184E96.3Very high88.8Confident134 Ų13499.7 Ų99.763%0.62650%0.495SS*.Hα-helixtrans-58.8-46175.4-177.9-177.4-160.500112.3T182 L186 Q187 I188T182-E184 VanDerWaalsContact C-N 3.28Å; T182-E184 PolarHBondContact O-N 2.93Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 3.25Å; E184-Q187 PolarHBondContact O-N 3.36Å; E184-I188 HydrophobicContact CG-CD1 4.24Å; E184-I188 WeakPolarHBondContact O-CG1 3.3Å; E184-I188 PolarHBondContact O-N 2.69Å; E184-I188 VanDerWaalsContact O-N 3.11Å
185Q97.2Very high90.8Very high32 Ų3298.8 Ų98.815%0.1549%0.489CS..Hα-helixtrans-59.8-41.4175.3-74.6170.9-20.900111.4F181 T182 E183 I188 L189 T211F181-Q185 HydrophobicContact CB-CB 4.47Å; T182-Q185 PolarHBondContact O-N 3.04Å; T182-Q185 WeakPolarHBondContact OG1-CB 3.36Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.23Å; T182-Q185 PolarHBondContact OG1-N 2.96Å; T182-Q185 PolarHBondContact OG1-OE1 3.06Å; E183-Q185 PolarHBondContact O-N 3.13Å; Q185-I188 PolarHBondContact O-N 3.32Å; Q185-L189 WeakPolarHBondContact O-CB 3.4Å; Q185-L189 WeakPolarHBondContact O-CD1 3.29Å; Q185-L189 WeakPolarHBondContact O-CG 3.28Å; Q185-L189 PolarHBondContact O-N 2.85Å; Q185-T211 WeakPolarHBondContact CG-O 3.21Å; Q185-T211 PolarHBondContact NE2-O 3.24Å
186L97.1Very high92.2Very high41 Ų4195 Ų9522%0.21548%0.475CS..Hα-helixtrans-65.1-41.5177.6-70.7172.8000112.1F181 T182 E183 E184 L189 Q190F181-L186 HydrophobicContact CB-CD1 4.4Å; F181-L186 HydrophobicContact CB-CD2 3.86Å; F181-L186 HydrophobicContact CB-CG 3.82Å; F181-L186 HydrophobicContact CD2-CD2 4.07Å; F181-L186 HydrophobicContact CG-CD2 4.19Å; T182-L186 WeakPolarHBondContact O-CG 3.42Å; T182-L186 PolarHBondContact O-N 2.95Å; E183-L186 WeakPolarHBondContact O-CB 3.38Å; E183-L186 PolarHBondContact O-N 3.11Å; E183-L186 VanDerWaalsContact O-N 3.14Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 3.25Å; L186-L189 PolarHBondContact O-N 3.13Å; L186-Q190 VanDerWaalsContact O-CB 3.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.21Å; L186-Q190 WeakPolarHBondContact O-CG 3.38Å; L186-Q190 PolarHBondContact O-N 3.4Å
187Q97.4Very high93.4Very high112 Ų11286.4 Ų86.452%0.52345%0.449SS..Hα-helixtrans-59.6-47.4176.9-71.8173.32.700111.4E183 E184 Q190 A191E183-Q187 WeakPolarHBondContact O-CG 3.5Å; E183-Q187 PolarHBondContact O-N 2.92Å; E184-Q187 PolarHBondContact O-N 3.36Å; Q187-Q190 PolarHBondContact O-N 2.99Å; Q187-A191 WeakPolarHBondContact O-CB 3.4Å; Q187-A191 PolarHBondContact O-N 3.05Å
188I97Very high94.6Very high40 Ų4084.6 Ų84.621%0.20544%0.435CS..Hα-helixtrans-62.3-46.5177.6-62.9160000110.6E184 Q185 Q190 A191 N192 V210 T211E184-I188 HydrophobicContact CG-CD1 4.24Å; E184-I188 WeakPolarHBondContact O-CG1 3.3Å; E184-I188 PolarHBondContact O-N 2.69Å; E184-I188 VanDerWaalsContact O-N 3.11Å; Q185-I188 PolarHBondContact O-N 3.32Å; I188-Q190 PolarHBondContact O-N 3.35Å; I188-A191 PolarHBondContact O-N 2.88Å; I188-N192 PolarHBondContact O-N 3.13Å; I188-N192 PolarHBondContact O-ND2 3.18Å; I188-V210 HydrophobicContact CD1-CG1 4.23Å; I188-V210 HydrophobicContact CG2-CG1 4.25Å; I188-T211 HydrophobicContact CB-CG2 3.88Å; I188-T211 HydrophobicContact CD1-CG2 4.35Å; I188-T211 HydrophobicContact CG2-CG2 3.58Å
189L97.7Very high95.2Very high0 Ų075.2 Ų75.20%040%0.402CS..Hα-helixtrans-61.8-43.7179.3-72.2168000112Q185 L186 F193 I207 T211 L213 T218 W221 F222Q185-L189 WeakPolarHBondContact O-CB 3.4Å; Q185-L189 WeakPolarHBondContact O-CD1 3.29Å; Q185-L189 WeakPolarHBondContact O-CG 3.28Å; Q185-L189 PolarHBondContact O-N 2.85Å; L186-L189 PolarHBondContact O-N 3.13Å; L189-F193 VanDerWaalsContact O-CB 3.31Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 2.8Å; L189-I207 HydrophobicContact CD2-CG2 3.87Å; L189-T211 HydrophobicContact CD2-CG2 4.28Å; L189-T211 HydrophobicContact CG-CG2 4.15Å; L189-L213 HydrophobicContact CD1-CD1 3.96Å; L189-T218 HydrophobicContact CD2-CG2 3.88Å; L189-W221 HydrophobicContact CB-CD2 4.08Å; L189-W221 HydrophobicContact CB-CE3 4.08Å; L189-W221 HydrophobicContact CB-CH2 3.76Å; L189-W221 HydrophobicContact CB-CZ2 3.72Å; L189-W221 HydrophobicContact CB-CZ3 3.93Å; L189-W221 HydrophobicContact CD1-CD2 3.96Å; L189-W221 HydrophobicContact CD1-CG 3.95Å; L189-W221 HydrophobicContact CD2-CD2 4.28Å; L189-W221 HydrophobicContact CD2-CE3 4.17Å; L189-W221 HydrophobicContact CG-CD2 4.34Å; L189-F222 HydrophobicContact CD2-CE2 4.04Å
190Q97.4Very high95.8Very high98 Ų9875.5 Ų75.546%0.45840%0.4SS..Hα-helixtrans-67.1-42.8178.4-73174.64.600112.1L186 Q187 I188 F193 Q194 W221L186-Q190 VanDerWaalsContact O-CB 3.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.21Å; L186-Q190 WeakPolarHBondContact O-CG 3.38Å; L186-Q190 PolarHBondContact O-N 3.4Å; Q187-Q190 PolarHBondContact O-N 2.99Å; I188-Q190 PolarHBondContact O-N 3.35Å; Q190-F193 WeakPolarHBondContact O-CB 3.44Å; Q190-F193 PolarHBondContact O-N 3.15Å; Q190-Q194 WeakPolarHBondContact O-CG 3.46Å; Q190-Q194 PolarHBondContact O-N 2.91Å; Q190-Q194 VanDerWaalsContact O-N 3.11Å; Q190-W221 HydrophobicContact CG-CH2 4.33Å; Q190-W221 HydrophobicContact CG-CZ2 4.21Å
191A96.7Very high96.1Very high50 Ų5071.7 Ų71.741%0.41339%0.385SS..Hα-helixtrans-60.4-46.3176.500000111.2Q187 I188 F193 Q194 V195Q187-A191 WeakPolarHBondContact O-CB 3.4Å; Q187-A191 PolarHBondContact O-N 3.05Å; I188-A191 PolarHBondContact O-N 2.88Å; A191-F193 VanDerWaalsContact C-N 3.33Å; A191-F193 PolarHBondContact O-N 2.98Å; A191-Q194 PolarHBondContact O-N 2.77Å; A191-V195 PolarHBondContact O-N 2.89Å
192N96.7Very high96.2Very high55 Ų5575.7 Ų75.729%0.29441%0.405SS..Hα-helixtrans-65.3-36.7176.5-78.1-87.8000112.1I188 Q194 V195 D196 I207 F222I188-N192 PolarHBondContact O-N 3.13Å; I188-N192 PolarHBondContact O-ND2 3.18Å; N192-Q194 VanDerWaalsContact C-N 3.26Å; N192-Q194 PolarHBondContact O-N 3.39Å; N192-V195 PolarHBondContact O-N 3.22Å; N192-V195 VanDerWaalsContact O-N 3.13Å; N192-D196 PolarHBondContact O-N 2.88Å; N192-I207 HydrophobicContact CB-CD1 3.74Å; N192-I207 HydrophobicContact CB-CG1 4.2Å; N192-F222 HydrophobicContact CB-CZ 4.11Å
193F97Very high96.2Very high34 Ų3474.4 Ų74.415%0.14940%0.396CS..Hα-helixtrans-63.6-29.6176.6-170.2-96000113.7L189 Q190 A191 D196 S197 W221 F222 R226 Q229L189-F193 VanDerWaalsContact O-CB 3.31Å; L189-F193 WeakPolarHBondContact O-CB 3.44Å; L189-F193 PolarHBondContact O-N 2.8Å; Q190-F193 WeakPolarHBondContact O-CB 3.44Å; Q190-F193 PolarHBondContact O-N 3.15Å; A191-F193 VanDerWaalsContact C-N 3.33Å; A191-F193 PolarHBondContact O-N 2.98Å; F193-D196 CarbonylContact O-C 3.55Å; F193-S197 PolarHBondContact O-N 3.25Å; F193-W221 HydrophobicContact CB-CH2 4.04Å; F193-W221 HydrophobicContact CB-CZ3 3.94Å; F193-W221 HydrophobicContact CD2-CH2 4.47Å; F193-W221 AromaticContact CD2-CZ3 3.91Å; F193-W221 HydrophobicContact CD2-CZ3 3.91Å; F193-W221 HydrophobicContact CG-CH2 4.32Å; F193-W221 HydrophobicContact CG-CZ3 4.15Å; F193-F222 HydrophobicContact CB-CE1 4.05Å; F193-F222 AromaticContact CD2-CD1 3.61Å; F193-F222 HydrophobicContact CD2-CD1 3.61Å; F193-F222 AromaticContact CD2-CE1 3.75Å; F193-F222 HydrophobicContact CD2-CE1 3.75Å; F193-F222 HydrophobicContact CE2-CD1 4.27Å; F193-F222 HydrophobicContact CG-CE1 4.39Å; F193-R226 HydrophobicContact CE2-CG 3.84Å; F193-R226 HydrophobicContact CZ-CG 4.12Å; F193-Q229 VanDerWaalsContact CE1-OE1 3.26Å
194Q95.3Very high96.2Very high165 Ų16569.2 Ų69.277%0.77137%0.371SS*.Hα-helixtrans-72.6-33.2173.9-68.4175.117.300112.3Q190 A191 N192Q190-Q194 WeakPolarHBondContact O-CG 3.46Å; Q190-Q194 PolarHBondContact O-N 2.91Å; Q190-Q194 VanDerWaalsContact O-N 3.11Å; A191-Q194 PolarHBondContact O-N 2.77Å; N192-Q194 VanDerWaalsContact C-N 3.26Å; N192-Q194 PolarHBondContact O-N 3.39Å
195V95Very high96.3Very high128 Ų12866.2 Ų66.278%0.77636%0.358SS*.Hα-helixtrans-72.7-55.3176.6177.90000110.2A191 N192A191-V195 PolarHBondContact O-N 2.89Å; N192-V195 PolarHBondContact O-N 3.22Å; N192-V195 VanDerWaalsContact O-N 3.13Å
196D93.4Very high96.3Very high63 Ų6370.6 Ų70.634%0.33737%0.373SS..  trans-142.4117.4174-174.87.3000110.5N192 F193 N198 P199 F222N192-D196 PolarHBondContact O-N 2.88Å; F193-D196 CarbonylContact O-C 3.55Å; D196-N198 VanDerWaalsContact C-N 3.26Å; D196-N198 PolarHBondContact O-N 3.1Å; D196-N198 WeakPolarHBondContact OD1-CA 3.38Å; D196-N198 PolarHBondContact OD1-N 3.02Å; D196-N198 VanDerWaalsContact OD2-C 3.3Å; D196-P199 WeakPolarHBondContact OD2-CA 3.3Å; D196-F222 WeakPolarHBondContact O-CE1 3.32Å
197S93Very high96.3Very high40 Ų4068.9 Ų68.928%0.2836%0.364SS..SBendtrans-76.8-13.1176.669.90000113.3F193 P199 R226F193-S197 PolarHBondContact O-N 3.25Å; S197-P199 VanDerWaalsContact C-CD 3.48Å; S197-R226 VanDerWaalsContact O-CD 3.26Å; S197-R226 WeakPolarHBondContact O-CD 3.09Å; S197-R226 WeakPolarHBondContact O-CG 3.47Å; S197-R226 PolarHBondContact O-NH1 2.86Å
198N96.3Very high96.3Very high98 Ų9863.7 Ų63.752%0.52434%0.34SS..SBendtrans-130.561179-167.851.8000112.4D196 R226D196-N198 VanDerWaalsContact C-N 3.26Å; D196-N198 PolarHBondContact O-N 3.1Å; D196-N198 WeakPolarHBondContact OD1-CA 3.38Å; D196-N198 PolarHBondContact OD1-N 3.02Å; D196-N198 VanDerWaalsContact OD2-C 3.3Å; N198-R226 PolarHBondContact OD1-NH1 2.95Å; N198-R226 PolarHBondContact OD1-NH2 2.87Å
199P94.4Very high96.4Very high18 Ų1868.3 Ų68.312%0.11736%0.361CS..  trans-61.4145.6-17828.2-36.1000111.2D196 S197 D203 L204 I207 F222D196-P199 WeakPolarHBondContact OD2-CA 3.3Å; S197-P199 VanDerWaalsContact C-CD 3.48Å; P199-D203 HydrophobicContact CB-CB 3.84Å; P199-L204 HydrophobicContact CG-CD1 4.39Å; P199-I207 HydrophobicContact CB-CD1 4.49Å; P199-F222 VanDerWaalsContact CD-CD1 3.43Å; P199-F222 HydrophobicContact CG-CD1 3.64Å; P199-F222 HydrophobicContact CG-CD2 4.26Å; P199-F222 HydrophobicContact CG-CE1 3.63Å; P199-F222 HydrophobicContact CG-CE2 4.28Å; P199-F222 HydrophobicContact CG-CG 3.98Å; P199-F222 HydrophobicContact CG-CZ 3.99Å
200D96.7Very high96.3Very high91 Ų9172.9 Ų72.949%0.48739%0.389SS..  trans-73.8-177.417675.625.4000112.6Q202 D203 L204D200-Q202 VanDerWaalsContact C-N 3.33Å; D200-Q202 PolarHBondContact O-N 2.91Å; D200-Q202 WeakPolarHBondContact OD1-CA 3.39Å; D200-Q202 PolarHBondContact OD1-N 2.83Å; D200-D203 PolarHBondContact OD1-N 3.3Å; D200-L204 WeakPolarHBondContact O-CB 3.4Å; D200-L204 PolarHBondContact O-N 2.89Å
201G96.1Very high96.3Very high44 Ų4468.6 Ų68.645%0.45437%0.369SS..Hα-helixtrans-66.7-26.9-177.600000115.4E205 K215G201-E205 PolarHBondContact O-N 2.81Å; G201-K215 WeakPolarHBondContact O-CE 3.26Å; G201-K215 PolarHBondContact O-NZ 2.93Å
202Q96.7Very high96.2Very high150 Ų15069.3 Ų69.370%0.70138%0.381SS*.Hα-helixtrans-83-44.9177.9-71.9-172.133.900110.8D200 L204 E205 R206D200-Q202 VanDerWaalsContact C-N 3.33Å; D200-Q202 PolarHBondContact O-N 2.91Å; D200-Q202 WeakPolarHBondContact OD1-CA 3.39Å; D200-Q202 PolarHBondContact OD1-N 2.83Å; Q202-L204 VanDerWaalsContact C-N 3.27Å; Q202-L204 PolarHBondContact O-N 2.94Å; Q202-E205 WeakPolarHBondContact O-CB 3.44Å; Q202-E205 PolarHBondContact O-N 3.04Å; Q202-E205 VanDerWaalsContact O-N 3.12Å; Q202-R206 PolarHBondContact O-N 3.24Å
203D96.3Very high96.2Very high48 Ų4868.1 Ų68.126%0.25738%0.375SS..Hα-helixtrans-60.5-41.9176.6-76-16.7000111.3P199 D200 E205 R206 I207P199-D203 HydrophobicContact CB-CB 3.84Å; D200-D203 PolarHBondContact OD1-N 3.3Å; D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 2.8Å; D203-R206 PolarHBondContact O-N 2.74Å; D203-R206 IonicContact OD1-CZ 3.17Å; D203-R206 IonicContact OD1-NH1 2.69Å; D203-R206 PolarHBondContact OD1-NH1 2.96Å; D203-R206 IonicContact OD1-NH2 2.72Å; D203-R206 PolarHBondContact OD1-NH2 3.2Å; D203-I207 WeakPolarHBondContact O-CD1 3.39Å; D203-I207 VanDerWaalsContact O-CG1 3.25Å; D203-I207 WeakPolarHBondContact O-CG1 3.35Å; D203-I207 PolarHBondContact O-N 3.35Å
204L96.9Very high96.2Very high12 Ų1269.8 Ų69.86%0.06339%0.391CS..Hα-helixtrans-63-36.2176.1-169.171.2000113.1P199 D200 Q202 A208 K215 T218 Q219 F222P199-L204 HydrophobicContact CG-CD1 4.39Å; D200-L204 WeakPolarHBondContact O-CB 3.4Å; D200-L204 PolarHBondContact O-N 2.89Å; Q202-L204 VanDerWaalsContact C-N 3.27Å; Q202-L204 PolarHBondContact O-N 2.94Å; L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.34Å; L204-A208 PolarHBondContact O-N 2.98Å; L204-K215 HydrophobicContact CD2-CG 4.04Å; L204-K215 HydrophobicContact CG-CG 4.27Å; L204-T218 HydrophobicContact CD1-CG2 3.54Å; L204-T218 HydrophobicContact CG-CG2 4.39Å; L204-Q219 HydrophobicContact CD2-CB 3.7Å; L204-Q219 HydrophobicContact CD2-CG 3.76Å; L204-F222 HydrophobicContact CD1-CD2 4.03Å; L204-F222 HydrophobicContact CD1-CE2 4.43Å
205E97.9Very high96.2Very high72 Ų7265.9 Ų65.934%0.33637%0.371SS..Hα-helixtrans-64.8-45.6175.6-167.566.2-133.500110.8G201 Q202 D203 I207 A208 Q209 K215G201-E205 PolarHBondContact O-N 2.81Å; Q202-E205 WeakPolarHBondContact O-CB 3.44Å; Q202-E205 PolarHBondContact O-N 3.04Å; Q202-E205 VanDerWaalsContact O-N 3.12Å; D203-E205 VanDerWaalsContact C-N 3.31Å; D203-E205 PolarHBondContact O-N 2.8Å; E205-I207 PolarHBondContact O-N 3.13Å; E205-A208 WeakPolarHBondContact O-CB 3.39Å; E205-A208 PolarHBondContact O-N 2.76Å; E205-Q209 WeakPolarHBondContact O-CG 3.39Å; E205-Q209 PolarHBondContact O-N 2.92Å; E205-K215 WeakPolarHBondContact OE2-CD 3.43Å; E205-K215 WeakPolarHBondContact OE2-CE 3.44Å; E205-K215 IonicContact OE2-NZ 2.86Å; E205-K215 PolarHBondContact OE2-NZ 3.12Å
206R97.7Very high96.3Very high123 Ų12368.8 Ų68.846%0.46437%0.368SS..Hα-helixtrans-60.7-46177.3-165-171.2-45.899.77111.5Q202 D203 A208 Q209 V210Q202-R206 PolarHBondContact O-N 3.24Å; D203-R206 PolarHBondContact O-N 2.74Å; D203-R206 IonicContact OD1-CZ 3.17Å; D203-R206 IonicContact OD1-NH1 2.69Å; D203-R206 PolarHBondContact OD1-NH1 2.96Å; D203-R206 IonicContact OD1-NH2 2.72Å; D203-R206 PolarHBondContact OD1-NH2 3.2Å; R206-A208 VanDerWaalsContact C-N 3.33Å; R206-A208 PolarHBondContact O-N 3.18Å; R206-Q209 PolarHBondContact O-N 3.2Å; R206-V210 WeakPolarHBondContact O-CG2 3.2Å; R206-V210 PolarHBondContact O-N 3.06Å
207I97.5Very high96.5Very high6 Ų667.3 Ų67.33%0.03136%0.361CS..Hα-helixtrans-63.6-41.6178.3-63162.5000110.6L189 N192 P199 D203 E205 Q209 V210 T211 T218 F222L189-I207 HydrophobicContact CD2-CG2 3.87Å; N192-I207 HydrophobicContact CB-CD1 3.74Å; N192-I207 HydrophobicContact CB-CG1 4.2Å; P199-I207 HydrophobicContact CB-CD1 4.49Å; D203-I207 WeakPolarHBondContact O-CD1 3.39Å; D203-I207 VanDerWaalsContact O-CG1 3.25Å; D203-I207 WeakPolarHBondContact O-CG1 3.35Å; D203-I207 PolarHBondContact O-N 3.35Å; E205-I207 PolarHBondContact O-N 3.13Å; I207-Q209 VanDerWaalsContact C-N 3.33Å; I207-Q209 PolarHBondContact O-N 2.89Å; I207-V210 PolarHBondContact O-N 2.85Å; I207-T211 HydrophobicContact CG2-CG2 4.14Å; I207-T211 WeakPolarHBondContact O-CB 3.06Å; I207-T211 WeakPolarHBondContact O-CG2 3.48Å; I207-T211 PolarHBondContact O-N 3.23Å; I207-T211 PolarHBondContact O-OG1 3.08Å; I207-T218 HydrophobicContact CB-CG2 4.15Å; I207-T218 HydrophobicContact CG2-CG2 3.68Å; I207-F222 HydrophobicContact CD1-CE2 4.09Å; I207-F222 HydrophobicContact CD1-CZ 3.89Å; I207-F222 HydrophobicContact CG2-CE2 4.37Å
208A97.5Very high96.7Very high3 Ų365.4 Ų65.43%0.02535%0.348CS..Hα-helixtrans-59-44.417600000111.8L204 E205 R206 T211 G212 L213 K215L204-A208 VanDerWaalsContact O-CB 3.28Å; L204-A208 WeakPolarHBondContact O-CB 3.34Å; L204-A208 PolarHBondContact O-N 2.98Å; E205-A208 WeakPolarHBondContact O-CB 3.39Å; E205-A208 PolarHBondContact O-N 2.76Å; R206-A208 VanDerWaalsContact C-N 3.33Å; R206-A208 PolarHBondContact O-N 3.18Å; A208-T211 PolarHBondContact O-OG1 3.32Å; A208-G212 PolarHBondContact O-N 2.98Å; A208-L213 CarbonylContact C-O 3.51Å; A208-L213 WeakPolarHBondContact CB-O 3.25Å; A208-L213 PolarHBondContact O-N 3Å; A208-L213 VanDerWaalsContact O-O 3.06Å; A208-K215 HydrophobicContact CB-CB 4.44Å
209Q97.3Very high96.7Very high136 Ų13664.8 Ų64.864%0.63634%0.342SS*.Hα-helixtrans-62.8-48.7176.1-69.9172.28.800112.4E205 R206 I207 T211 G212E205-Q209 WeakPolarHBondContact O-CG 3.39Å; E205-Q209 PolarHBondContact O-N 2.92Å; R206-Q209 PolarHBondContact O-N 3.2Å; I207-Q209 VanDerWaalsContact C-N 3.33Å; I207-Q209 PolarHBondContact O-N 2.89Å; Q209-T211 VanDerWaalsContact C-N 3.33Å; Q209-T211 PolarHBondContact O-N 2.85Å; Q209-G212 PolarHBondContact O-N 2.81Å
210V96.9Very high96.8Very high97 Ų9766.6 Ų66.659%0.58835%0.353SS*.Hα-helixtrans-67.2-34.2-177.8177.30000112I188 R206 I207I188-V210 HydrophobicContact CD1-CG1 4.23Å; I188-V210 HydrophobicContact CG2-CG1 4.25Å; R206-V210 WeakPolarHBondContact O-CG2 3.2Å; R206-V210 PolarHBondContact O-N 3.06Å; I207-V210 PolarHBondContact O-N 2.85Å
211T96.3Very high96.9Very high7 Ų763.8 Ų63.84%0.04334%0.335CS..Hα-helixtrans-83-11.3176.956.10000113.6Q185 I188 L189 I207 A208 Q209 L213Q185-T211 WeakPolarHBondContact CG-O 3.21Å; Q185-T211 PolarHBondContact NE2-O 3.24Å; I188-T211 HydrophobicContact CB-CG2 3.88Å; I188-T211 HydrophobicContact CD1-CG2 4.35Å; I188-T211 HydrophobicContact CG2-CG2 3.58Å; L189-T211 HydrophobicContact CD2-CG2 4.28Å; L189-T211 HydrophobicContact CG-CG2 4.15Å; I207-T211 HydrophobicContact CG2-CG2 4.14Å; I207-T211 WeakPolarHBondContact O-CB 3.06Å; I207-T211 WeakPolarHBondContact O-CG2 3.48Å; I207-T211 PolarHBondContact O-N 3.23Å; I207-T211 PolarHBondContact O-OG1 3.08Å; A208-T211 PolarHBondContact O-OG1 3.32Å; Q209-T211 VanDerWaalsContact C-N 3.33Å; Q209-T211 PolarHBondContact O-N 2.85Å; T211-L213 PolarHBondContact O-N 2.99Å; T211-L213 WeakPolarHBondContact OG1-CB 3.25Å
212G96.1Very high97Very high66 Ų6661.8 Ų61.868%0.6831%0.314SS*.THydrogen-bonded Turntrans64.920.3-171.300000113.7A208 Q209A208-G212 PolarHBondContact O-N 2.98Å; Q209-G212 PolarHBondContact O-N 2.81Å
213L95.6Very high97Very high29 Ų2958.9 Ų58.915%0.15230%0.3CS..  trans-97.9156.1178.1-62.2174000110.3F181 L189 A208 T211 V217F181-L213 HydrophobicContact CD1-CD1 3.75Å; F181-L213 HydrophobicContact CD1-CD2 3.97Å; F181-L213 HydrophobicContact CE1-CD1 3.65Å; F181-L213 HydrophobicContact CE1-CD2 4.01Å; F181-L213 HydrophobicContact CE1-CG 4.49Å; L189-L213 HydrophobicContact CD1-CD1 3.96Å; A208-L213 CarbonylContact C-O 3.51Å; A208-L213 WeakPolarHBondContact CB-O 3.25Å; A208-L213 PolarHBondContact O-N 3Å; A208-L213 VanDerWaalsContact O-O 3.06Å; T211-L213 PolarHBondContact O-N 2.99Å; T211-L213 WeakPolarHBondContact OG1-CB 3.25Å; L213-V217 HydrophobicContact CD1-CG1 4.47Å; L213-V217 HydrophobicContact CD2-CG1 4.44Å
214S96.6Very high96.9Very high69 Ų6960.6 Ų60.648%0.48331%0.31SS..  trans-70.4146.1171.570.60000110.8R216 V217 T218S214-R216 PolarHBondContact O-N 2.81Å; S214-V217 PolarHBondContact O-N 2.95Å; S214-V217 VanDerWaalsContact OG-CG2 3.26Å; S214-V217 WeakPolarHBondContact OG-CG2 3.46Å; S214-V217 PolarHBondContact OG-N 3.43Å; S214-T218 PolarHBondContact O-N 2.98Å; S214-T218 PolarHBondContact O-OG1 2.97Å
215K96.7Very high96.9Very high84 Ų8461.1 Ų61.137%0.36531%0.314SS..Hα-helixtrans-47.4-42.2177.2-168.8-171.5-162133.20112.6G201 L204 E205 A208 T218 Q219G201-K215 WeakPolarHBondContact O-CE 3.26Å; G201-K215 PolarHBondContact O-NZ 2.93Å; L204-K215 HydrophobicContact CD2-CG 4.04Å; L204-K215 HydrophobicContact CG-CG 4.27Å; E205-K215 WeakPolarHBondContact OE2-CD 3.43Å; E205-K215 WeakPolarHBondContact OE2-CE 3.44Å; E205-K215 IonicContact OE2-NZ 2.86Å; E205-K215 PolarHBondContact OE2-NZ 3.12Å; A208-K215 HydrophobicContact CB-CB 4.44Å; K215-T218 PolarHBondContact O-N 3.33Å; K215-Q219 WeakPolarHBondContact O-CB 3.18Å; K215-Q219 PolarHBondContact O-N 3.12Å
216R96.7Very high96.8Very high189 Ų18961 Ų6171%0.71331%0.31SS*.Hα-helixtrans-63.4-43.5178-175.8178.8-178.396.40.1112.5S214 Q219 V220S214-R216 PolarHBondContact O-N 2.81Å; R216-Q219 WeakPolarHBondContact O-CB 3.33Å; R216-Q219 PolarHBondContact O-N 3.25Å; R216-V220 HydrophobicContact CG-CG2 4.45Å; R216-V220 WeakPolarHBondContact O-CB 3.48Å; R216-V220 VanDerWaalsContact O-CG2 3.25Å; R216-V220 WeakPolarHBondContact O-CG2 3.48Å; R216-V220 PolarHBondContact O-N 2.86Å
217V96.5Very high96.6Very high32 Ų3258 Ų5819%0.19431%0.312CS..Hα-helixtrans-65.3-45.3179.3170.40000110F181 L213 S214 Q219 V220 W221F181-V217 HydrophobicContact CE1-CG1 3.51Å; F181-V217 HydrophobicContact CZ-CG1 3.75Å; L213-V217 HydrophobicContact CD1-CG1 4.47Å; L213-V217 HydrophobicContact CD2-CG1 4.44Å; S214-V217 PolarHBondContact O-N 2.95Å; S214-V217 VanDerWaalsContact OG-CG2 3.26Å; S214-V217 WeakPolarHBondContact OG-CG2 3.46Å; S214-V217 PolarHBondContact OG-N 3.43Å; V217-Q219 VanDerWaalsContact C-N 3.34Å; V217-Q219 PolarHBondContact O-N 3.34Å; V217-V220 PolarHBondContact O-N 2.83Å; V217-W221 WeakPolarHBondContact O-CB 3.21Å; V217-W221 PolarHBondContact O-N 3.28Å
218T97.1Very high96.4Very high0 Ų066.2 Ų66.20%034%0.343CS..Hα-helixtrans-58.6-46.7174.2-49.40000110.6L189 L204 I207 S214 K215 V220 W221 F222L189-T218 HydrophobicContact CD2-CG2 3.88Å; L204-T218 HydrophobicContact CD1-CG2 3.54Å; L204-T218 HydrophobicContact CG-CG2 4.39Å; I207-T218 HydrophobicContact CB-CG2 4.15Å; I207-T218 HydrophobicContact CG2-CG2 3.68Å; S214-T218 PolarHBondContact O-N 2.98Å; S214-T218 PolarHBondContact O-OG1 2.97Å; K215-T218 PolarHBondContact O-N 3.33Å; T218-V220 PolarHBondContact O-N 3.26Å; T218-W221 WeakPolarHBondContact O-CB 3.23Å; T218-W221 PolarHBondContact O-N 3.06Å; T218-W221 VanDerWaalsContact O-N 3.15Å; T218-F222 HydrophobicContact CG2-CD2 4.16Å; T218-F222 HydrophobicContact CG2-CE2 4.04Å; T218-F222 WeakPolarHBondContact O-CD2 3.21Å; T218-F222 PolarHBondContact O-N 3.37Å
219Q97.7Very high96Very high85 Ų8569.9 Ų69.940%0.39736%0.36SS..Hα-helixtrans-55.7-51.4177-160.8-175.54.600112.2L204 K215 R216 V217 W221 F222 Q223L204-Q219 HydrophobicContact CD2-CB 3.7Å; L204-Q219 HydrophobicContact CD2-CG 3.76Å; K215-Q219 WeakPolarHBondContact O-CB 3.18Å; K215-Q219 PolarHBondContact O-N 3.12Å; R216-Q219 WeakPolarHBondContact O-CB 3.33Å; R216-Q219 PolarHBondContact O-N 3.25Å; V217-Q219 VanDerWaalsContact C-N 3.34Å; V217-Q219 PolarHBondContact O-N 3.34Å; Q219-W221 VanDerWaalsContact C-N 3.26Å; Q219-W221 PolarHBondContact O-N 3.24Å; Q219-F222 PolarHBondContact O-N 3.04Å; Q219-Q223 WeakPolarHBondContact O-CG 3.49Å; Q219-Q223 PolarHBondContact O-N 3.21Å
220V96.7Very high95.5Very high56 Ų5671.3 Ų71.334%0.33936%0.364SS..Hα-helixtrans-64.8-34.4-178.9169.20000110.4R216 V217 T218 Q223 N224R216-V220 HydrophobicContact CG-CG2 4.45Å; R216-V220 WeakPolarHBondContact O-CB 3.48Å; R216-V220 VanDerWaalsContact O-CG2 3.25Å; R216-V220 WeakPolarHBondContact O-CG2 3.48Å; R216-V220 PolarHBondContact O-N 2.86Å; V217-V220 PolarHBondContact O-N 2.83Å; T218-V220 PolarHBondContact O-N 3.26Å; V220-Q223 PolarHBondContact O-N 2.66Å; V220-N224 WeakPolarHBondContact CG1-ND2 3.48Å; V220-N224 VanDerWaalsContact O-CB 3.29Å; V220-N224 WeakPolarHBondContact O-CB 3.23Å; V220-N224 PolarHBondContact O-N 3.3Å; V220-N224 PolarHBondContact O-ND2 3.14Å; V220-N224 VanDerWaalsContact O-ND2 3.1Å
221W97.1Very high94.5Very high31 Ų3174.9 Ų74.912%0.11737%0.371CS..Hα-helixtrans-60.5-51.5173-172.3100.8000111F181 L189 Q190 F193 V217 T218 Q219 Q223 N224 S225F181-W221 AromaticContact CE2-CD1 3.7Å; F181-W221 AromaticContact CZ-CD1 3.9Å; L189-W221 HydrophobicContact CB-CD2 4.08Å; L189-W221 HydrophobicContact CB-CE3 4.08Å; L189-W221 HydrophobicContact CB-CH2 3.76Å; L189-W221 HydrophobicContact CB-CZ2 3.72Å; L189-W221 HydrophobicContact CB-CZ3 3.93Å; L189-W221 HydrophobicContact CD1-CD2 3.96Å; L189-W221 HydrophobicContact CD1-CG 3.95Å; L189-W221 HydrophobicContact CD2-CD2 4.28Å; L189-W221 HydrophobicContact CD2-CE3 4.17Å; L189-W221 HydrophobicContact CG-CD2 4.34Å; Q190-W221 HydrophobicContact CG-CH2 4.33Å; Q190-W221 HydrophobicContact CG-CZ2 4.21Å; F193-W221 HydrophobicContact CB-CH2 4.04Å; F193-W221 HydrophobicContact CB-CZ3 3.94Å; F193-W221 HydrophobicContact CD2-CH2 4.47Å; F193-W221 AromaticContact CD2-CZ3 3.91Å; F193-W221 HydrophobicContact CD2-CZ3 3.91Å; F193-W221 HydrophobicContact CG-CH2 4.32Å; F193-W221 HydrophobicContact CG-CZ3 4.15Å; V217-W221 WeakPolarHBondContact O-CB 3.21Å; V217-W221 PolarHBondContact O-N 3.28Å; T218-W221 WeakPolarHBondContact O-CB 3.23Å; T218-W221 PolarHBondContact O-N 3.06Å; T218-W221 VanDerWaalsContact O-N 3.15Å; Q219-W221 VanDerWaalsContact C-N 3.26Å; Q219-W221 PolarHBondContact O-N 3.24Å; W221-Q223 VanDerWaalsContact C-N 3.35Å; W221-Q223 PolarHBondContact O-N 3.19Å; W221-N224 PolarHBondContact O-N 2.86Å; W221-N224 VanDerWaalsContact O-N 3.16Å; W221-S225 WeakPolarHBondContact CH2-OG 3.49Å; W221-S225 WeakPolarHBondContact CZ2-OG 3.24Å; W221-S225 WeakPolarHBondContact CZ3-OG 3.5Å; W221-S225 WeakPolarHBondContact O-CB 3.23Å; W221-S225 PolarHBondContact O-N 2.8Å; W221-S225 PolarHBondContact O-OG 3.12Å
222F98.2Very high93.4Very high3 Ų379.4 Ų79.41%0.01340%0.402CS..Hα-helixtrans-61-41.6178.6-86.5-92.6000112.4L189 N192 F193 D196 P199 L204 I207 T218 Q219 N224 S225 R226L189-F222 HydrophobicContact CD2-CE2 4.04Å; N192-F222 HydrophobicContact CB-CZ 4.11Å; F193-F222 HydrophobicContact CB-CE1 4.05Å; F193-F222 AromaticContact CD2-CD1 3.61Å; F193-F222 HydrophobicContact CD2-CD1 3.61Å; F193-F222 AromaticContact CD2-CE1 3.75Å; F193-F222 HydrophobicContact CD2-CE1 3.75Å; F193-F222 HydrophobicContact CE2-CD1 4.27Å; F193-F222 HydrophobicContact CG-CE1 4.39Å; D196-F222 WeakPolarHBondContact O-CE1 3.32Å; P199-F222 VanDerWaalsContact CD-CD1 3.43Å; P199-F222 HydrophobicContact CG-CD1 3.64Å; P199-F222 HydrophobicContact CG-CD2 4.26Å; P199-F222 HydrophobicContact CG-CE1 3.63Å; P199-F222 HydrophobicContact CG-CE2 4.28Å; P199-F222 HydrophobicContact CG-CG 3.98Å; P199-F222 HydrophobicContact CG-CZ 3.99Å; L204-F222 HydrophobicContact CD1-CD2 4.03Å; L204-F222 HydrophobicContact CD1-CE2 4.43Å; I207-F222 HydrophobicContact CD1-CE2 4.09Å; I207-F222 HydrophobicContact CD1-CZ 3.89Å; I207-F222 HydrophobicContact CG2-CE2 4.37Å; T218-F222 HydrophobicContact CG2-CD2 4.16Å; T218-F222 HydrophobicContact CG2-CE2 4.04Å; T218-F222 WeakPolarHBondContact O-CD2 3.21Å; T218-F222 PolarHBondContact O-N 3.37Å; Q219-F222 PolarHBondContact O-N 3.04Å; F222-N224 PolarHBondContact O-N 2.81Å; F222-S225 PolarHBondContact O-N 3.39Å; F222-R226 WeakPolarHBondContact O-CG 3.08Å; F222-R226 PolarHBondContact O-N 3.25Å
223Q96.9Very high91.7Very high88 Ų8882.4 Ų82.441%0.41140%0.398SS..Hα-helixtrans-59.2-47174.6-70.5175.817.200111.7Q219 V220 W221 R226 A227Q219-Q223 WeakPolarHBondContact O-CG 3.49Å; Q219-Q223 PolarHBondContact O-N 3.21Å; V220-Q223 PolarHBondContact O-N 2.66Å; W221-Q223 VanDerWaalsContact C-N 3.35Å; W221-Q223 PolarHBondContact O-N 3.19Å; Q223-R226 PolarHBondContact O-N 3.17Å; Q223-A227 PolarHBondContact O-N 2.56Å
224N95.5Very high89.8Confident85 Ų8584 Ų8446%0.45542%0.422SS..Hα-helixtrans-67.6-38.3178.9-73.9-30.8000112.4V220 W221 F222 A227 R228V220-N224 WeakPolarHBondContact CG1-ND2 3.48Å; V220-N224 VanDerWaalsContact O-CB 3.29Å; V220-N224 WeakPolarHBondContact O-CB 3.23Å; V220-N224 PolarHBondContact O-N 3.3Å; V220-N224 PolarHBondContact O-ND2 3.14Å; V220-N224 VanDerWaalsContact O-ND2 3.1Å; W221-N224 PolarHBondContact O-N 2.86Å; W221-N224 VanDerWaalsContact O-N 3.16Å; F222-N224 PolarHBondContact O-N 2.81Å; N224-A227 WeakPolarHBondContact O-CB 3.44Å; N224-A227 PolarHBondContact O-N 2.93Å; N224-R228 WeakPolarHBondContact O-CG 3.28Å; N224-R228 PolarHBondContact O-N 3.27Å
225S95.7Very high87.6Confident22 Ų2286.3 Ų86.315%0.15443%0.433CS..Hα-helixtrans-62.5-46.4176.3-65.90000110.9W221 F222 A227 R228 Q229W221-S225 WeakPolarHBondContact CH2-OG 3.49Å; W221-S225 WeakPolarHBondContact CZ2-OG 3.24Å; W221-S225 WeakPolarHBondContact CZ3-OG 3.5Å; W221-S225 WeakPolarHBondContact O-CB 3.23Å; W221-S225 PolarHBondContact O-N 2.8Å; W221-S225 PolarHBondContact O-OG 3.12Å; F222-S225 PolarHBondContact O-N 3.39Å; S225-A227 VanDerWaalsContact C-N 3.34Å; S225-A227 PolarHBondContact O-N 3.37Å; S225-R228 PolarHBondContact O-N 3.39Å; S225-Q229 PolarHBondContact O-N 2.9Å
226R96.4Very high84.9Confident69 Ų6991.5 Ų91.526%0.2646%0.455SS..Hα-helixtrans-60.9-40.2172.8-69.6-165.4-62.8-90.59.9112.6F193 S197 N198 F222 Q223 R228 Q229 K230F193-R226 HydrophobicContact CE2-CG 3.84Å; F193-R226 HydrophobicContact CZ-CG 4.12Å; S197-R226 VanDerWaalsContact O-CD 3.26Å; S197-R226 WeakPolarHBondContact O-CD 3.09Å; S197-R226 WeakPolarHBondContact O-CG 3.47Å; S197-R226 PolarHBondContact O-NH1 2.86Å; N198-R226 PolarHBondContact OD1-NH1 2.95Å; N198-R226 PolarHBondContact OD1-NH2 2.87Å; F222-R226 WeakPolarHBondContact O-CG 3.08Å; F222-R226 PolarHBondContact O-N 3.25Å; Q223-R226 PolarHBondContact O-N 3.17Å; R226-R228 VanDerWaalsContact C-N 3.3Å; R226-R228 PolarHBondContact O-N 3.39Å; R226-Q229 PolarHBondContact O-N 3.33Å; R226-K230 PolarHBondContact O-N 3.23Å; R226-K230 VanDerWaalsContact O-N 3.14Å
227A94.7Very high82.3Confident60 Ų6088.4 Ų88.450%0.49646%0.457SS..Hα-helixtrans-61.8-37.417700000112.3Q223 N224 S225Q223-A227 PolarHBondContact O-N 2.56Å; N224-A227 WeakPolarHBondContact O-CB 3.44Å; N224-A227 PolarHBondContact O-N 2.93Å; S225-A227 VanDerWaalsContact C-N 3.34Å; S225-A227 PolarHBondContact O-N 3.37Å
228R91.8Very high79.4Confident180 Ų18095.8 Ų95.868%0.67949%0.486SS*.Hα-helixtrans-69.7-41.6175-69.1171.3-173.1-85-2112.1N224 S225 R226 K230 K231 C232N224-R228 WeakPolarHBondContact O-CG 3.28Å; N224-R228 PolarHBondContact O-N 3.27Å; S225-R228 PolarHBondContact O-N 3.39Å; R226-R228 VanDerWaalsContact C-N 3.3Å; R226-R228 PolarHBondContact O-N 3.39Å; R228-K230 VanDerWaalsContact C-N 3.33Å; R228-K230 PolarHBondContact O-N 2.97Å; R228-K231 WeakPolarHBondContact O-CB 3.48Å; R228-K231 PolarHBondContact O-N 3Å; R228-K231 VanDerWaalsContact O-N 3.1Å; R228-C232 PolarHBondContact O-N 3.45Å; R228-C232 VanDerWaalsContact O-N 3.16Å
229Q89.9Confident76.4Confident80 Ų80101.6 Ų101.637%0.37453%0.527SS..Hα-helixtrans-58.1-44.1177.8-177172.3-54.400112.1F193 S225 R226 K231 C232 Q233F193-Q229 VanDerWaalsContact CE1-OE1 3.26Å; S225-Q229 PolarHBondContact O-N 2.9Å; R226-Q229 PolarHBondContact O-N 3.33Å; Q229-K231 VanDerWaalsContact C-N 3.27Å; Q229-K231 PolarHBondContact O-N 2.91Å; Q229-C232 PolarHBondContact O-N 3.37Å; Q229-Q233 WeakPolarHBondContact O-CG 3.13Å; Q229-Q233 PolarHBondContact O-N 3.38Å
230K85.7Confident73.7Confident166 Ų166103.9 Ų103.972%0.72255%0.547SS*.Hα-helixtrans-59.1-37.2176.1-70-177.7-179.8-174.30112.6R226 R228R226-K230 PolarHBondContact O-N 3.23Å; R226-K230 VanDerWaalsContact O-N 3.14Å; R228-K230 VanDerWaalsContact C-N 3.33Å; R228-K230 PolarHBondContact O-N 2.97Å
231K76.8Confident70.6Confident172 Ų172106.8 Ų106.875%0.74856%0.56SS**Hα-helixtrans-70.3-37.2179.3-168.9176.6179.8-178.30112.5R228 Q229R228-K231 WeakPolarHBondContact O-CB 3.48Å; R228-K231 PolarHBondContact O-N 3Å; R228-K231 VanDerWaalsContact O-N 3.1Å; Q229-K231 VanDerWaalsContact C-N 3.27Å; Q229-K231 PolarHBondContact O-N 2.91Å
232C72.4Confident68.1Low101 Ų101110.6 Ų110.668%0.68259%0.589SS**Hα-helixtrans-74.9-31.1-179.8-67.50000113.2R228 Q229 G234R228-C232 PolarHBondContact O-N 3.45Å; R228-C232 VanDerWaalsContact O-N 3.16Å; Q229-C232 PolarHBondContact O-N 3.37Å; C232-G234 VanDerWaalsContact C-N 3.34Å; C232-G234 PolarHBondContact O-N 3.36Å
233Q62Low65.2Low129 Ų129121.3 Ų121.360%0.60363%0.629SS**Hα-helixtrans-73.3-25.1179.7-69179.53.300113.4Q229 V235Q229-Q233 WeakPolarHBondContact O-CG 3.13Å; Q229-Q233 PolarHBondContact O-N 3.38Å; Q233-V235 VanDerWaalsContact C-N 3.33Å; Q233-V235 PolarHBondContact O-N 3.42Å
234G55.1Low62.2Low64 Ų64124.9 Ų124.966%0.6665%0.652SS**THydrogen-bonded Turntrans-77.2-6.9-178.500000115.9C232C232-G234 VanDerWaalsContact C-N 3.34Å; C232-G234 PolarHBondContact O-N 3.36Å
235V50.4Low59.2Low116 Ų116125.6 Ų125.670%0.70366%0.663SS**  trans-107.166.7179.4-1670000109.8Q233Q233-V235 VanDerWaalsContact C-N 3.33Å; Q233-V235 PolarHBondContact O-N 3.42Å
236K39.5Very low56.5Low194 Ų194130 Ų13084%0.84369%0.694SS**  trans-108.764.9161.7-72.8-171.7179.1179.10109.2
237V43.1Very low54Low123 Ų123131.6 Ų131.675%0.74572%0.716SS**  trans-120.497.8167.1-176.30000108.7
238K34.6Very low51.1Low187 Ų187139.7 Ų139.781%0.81373%0.734SS**  trans42.786149.6-64.4178.4177.6175.90116.3V240K238-V240 PolarHBondContact O-N 3.3Å
239S34.9Very low48.4Very low123 Ų123137.1 Ų137.186%0.8673%0.733SS**  trans-56.2115.6153.2-177.60000109.4
240V39.9Very low45.7Very low132 Ų132138 Ų13880%0.875%0.748SS**  trans-118.595.5164.7-159.40000108.1K238K238-V240 PolarHBondContact O-N 3.3Å
241N31.6Very low43.4Very low117 Ų117141.1 Ų141.163%0.62676%0.757SS**  trans61.1115.4144.7-140.613.5000120.7
242P46Very low41.6Very low112 Ų112141.3 Ų141.373%0.72776%0.761SS**  trans-85.5124.7172.133.3-28.5000110.9
243R36.8Very low39.7Very low227 Ų227144.5 Ų144.586%0.85777%0.765SS**  trans-145.9102.7161.8-74.5-172.3178.6-174.7-1.4109
244N32.7Very low38.6Very low164 Ų164144.2 Ų144.288%0.87778%0.778SS**  -171.5136.5111.5-153.910.9000110.4
245S33.2Very low37.9Very low99 Ų99146 Ų14669%0.69278%0.78SS**  trans-104.8171.1-168.332.80000112.1
246S39.6Very low37.6Very low116 Ų116145.9 Ų145.981%0.81178%0.782SS**  trans98.4129.317186.30000113.6
247S43.3Very low37.2Very low102 Ų102142.2 Ų142.271%0.71378%0.78SS**  cis-158.6145.622.5-67.40000111.8
248R35Very low36.6Very low230 Ų230140 Ų14087%0.86878%0.783SS**  trans34.5141134.5-73.8175.2167.1162.7-6.5119.5
249D33.6Very low37Very low126 Ų126136.9 Ų136.967%0.67478%0.781SS**  cis-164.9131.528.2-110.3-46.1000106.3
250S33.8Very low37Very low99 Ų99139.5 Ų139.569%0.69279%0.785SS**  76.4106.694.7-57.70000116.4
251Y37.9Very low36.9Very low231 Ų231138.8 Ų138.891%0.90679%0.786SS**  -165.2143.4129.354.2-92.5000112.1
252E38.1Very low37.5Very low176 Ų176142.1 Ų142.182%0.82280%0.798SS**  trans-62.9138.3-162.6-74.6-173.7111.500116.8
253E33.4Very low37.5Very low167 Ų167142.1 Ų142.178%0.7880%0.798SS**  71.2107.286.6-162.3172.611300114.3
254S37.2Very low37.5Very low123 Ų123137.9 Ų137.986%0.8680%0.797SS**  trans-155.995.3155.8-67.60000108.3
255S40.4Very low37.4Very low101 Ų101135 Ų13571%0.70679%0.786SS**  trans-63.1161.7152.3-78.60000109.3
256P44.4Very low37.2Very low114 Ų114136.7 Ų136.774%0.7479%0.792SS**  cis-152.1149.344.335.3-10.9000119.3
257S32.8Very low36.9Very low117 Ų117142.9 Ų142.982%0.81880%0.797SS**  59.2109.1127-44.50000123
258G29.5Very low36.5Very low77 Ų77143 Ų14379%0.79480%0.798SS**  95.3162.9125.300000118.4
259P44Very low36.4Very low121 Ų121137 Ų13779%0.78680%0.798SS**  cis-114.7147.6-9.435-20000113.1
260L32.9Very low36.4Very low179 Ų179142.4 Ų142.494%0.93781%0.809SS**  trans-89.6118.4169.1-73.3167.5000109.3
261S38.4Very low36.5Very low117 Ų117143.1 Ų143.182%0.81881%0.814SS**  trans-95.5112.4165.5-47.80000107.7
262E44.6Very low36.5Very low186 Ų186137.6 Ų137.687%0.86981%0.809SS**  trans-83.8148.9172.5-75.1-150.6119.500112.3
263P46.4Very low36.5Very low112 Ų112134.6 Ų134.673%0.72781%0.807SS**  trans-97.8146.5-178.137.2-30.4000112.1
264V35.4Very low36.8Very low138 Ų138131.8 Ų131.884%0.83681%0.806SS**  trans-125.891.1165.3176.40000109.6
265T31.2Very low37.4Very low105 Ų105131.2 Ų131.264%0.64480%0.799SS**  44.5107129.359.90000119.5
266T28.8Very low37.3Very low134 Ų134134.4 Ų134.482%0.82281%0.809SS**  39.1106.3118.3530000117.6
267R34.4Very low37Very low245 Ų245137.4 Ų137.493%0.92581%0.813SS**  trans-108.8109150.8-98-179.2149.4-157.3-5.2110
268S34Very low37Very low104 Ų104140 Ų14073%0.72781%0.81SS**  trans49.4102.7135.4-530000118.8
269A32.7Very low37.2Very low105 Ų105143.2 Ų143.287%0.86881%0.814SS**  14.7113.1125.300000116.2
270R34.2Very low36.4Very low240 Ų240143.3 Ų143.391%0.90681%0.808SS**  trans-140.7122.5149-149.9154.9-174.6-116.61.5110.1
271S35.6Very low36.3Very low114 Ų114138.7 Ų138.780%0.79779%0.79SS**  trans-59141.2172.729.70000111.9
272S38.5Very low35.9Very low115 Ų115141.3 Ų141.380%0.80479%0.789SS**  trans-143.6109.6154.458.10000109.8
273S37.9Very low35Very low112 Ų112142.5 Ų142.578%0.78379%0.787SS**  trans-32.2147.6160.444.20000117.7
274S39.8Very low34.2Very low109 Ų109144.8 Ų144.876%0.76279%0.792SS**  trans-45.4-176.2149.8-40.70000113.6
275P50.4Low33.7Very low110 Ų110143.3 Ų143.371%0.71478%0.783SS**  cis-135.4165.7-0.438.8-20.9000114.4
276D38.4Very low33.6Very low169 Ų169145.5 Ų145.590%0.90479%0.791SS**  trans-122.8134.3161.4-97.5-50.3000110.8
277E36.7Very low33.7Very low177 Ų177146.7 Ų146.783%0.82779%0.792SS**  trans-74.8136.6-166.2-69.5179.9103.200112.9
278F32.4Very low33.9Very low172 Ų172141 Ų14175%0.75479%0.787SS**  68.7101.1103.2-160.4-96.1000115.6D280F278-D280 HydrophobicContact CZ-CB 4.45Å
279T34Very low33.4Very low143 Ų143139.7 Ų139.788%0.87779%0.789SS**  trans-150.5116.1135.6-29.20000110.3
280D28.2Very low33.2Very low124 Ų124140.1 Ų140.166%0.66379%0.786SS**  trans-61.8139.8168.3-178.623000111.5F278F278-D280 HydrophobicContact CZ-CB 4.45Å
281S29.5Very low32.8Very low81 Ų81137.5 Ų137.557%0.56678%0.784SS**  -177.6135.2125-133.50000115.5
282H31.6Very low32.3Very low172 Ų172138.5 Ų138.580%0.79679%0.785SS**  trans85.4101149.6-62.2-55000120.7
283Y24.1Very low31.6Very low212 Ų212138.4 Ų138.483%0.83178%0.78SS**  trans-40127.5154.4-95.1-111.6000114.2T285Y283-T285 HydrophobicContact CD1-CG2 4.45Å
284I30.2Very low31Very low159 Ų159140.2 Ų140.282%0.81578%0.779SS**  trans-125102.7144.2-65.4-166.2000107
285T26.3Very low30.2Very low108 Ų108143.4 Ų143.466%0.66378%0.782SS**  trans-77.4116.6156.723.90000107.7Y283Y283-T285 HydrophobicContact CD1-CG2 4.45Å
286D29.1Very low29.3Very low150 Ų150143.5 Ų143.580%0.80278%0.781SS**  trans-159.1142.8139.8-91.2-35.6000111.4
287L29.9Very low28.7Very low160 Ų160138.6 Ų138.684%0.83877%0.771SS**  trans-38.6163.9-165.9-92.267.5000122
288P38Very low28.3Very low126 Ų126140.4 Ų140.482%0.81877%0.771SS**  trans-87.7147.5-175.237.1-32.5000112.5
289G24.2Very low28.2Very low76 Ų76140.1 Ų140.178%0.78477%0.772SS**  trans151.181.8165.700000114.4
290S28.3Very low28.1Very low114 Ų114140.3 Ų140.380%0.79777%0.767SS**  trans-156.498.8143.645.80000108.9T292S290-T292 PolarHBondContact O-N 3.36Å
291E26.3Very low28.1Very low185 Ų185138.6 Ų138.686%0.86476%0.764SS**  trans-55.7121.1169.1-70.3176100.700109.4T293E291-T293 VanDerWaalsContact C-N 3.26Å; E291-T293 PolarHBondContact O-N 3.48Å
292T24Very low28.3Very low135 Ų135138.2 Ų138.283%0.82877%0.766SS**  trans-74.283.6172.543.50000108.7S290 I294S290-T292 PolarHBondContact O-N 3.36Å; T292-I294 PolarHBondContact O-N 3.12Å; T292-I294 VanDerWaalsContact O-N 3.12Å
293T24.7Very low28.4Very low112 Ų112136.8 Ų136.869%0.68776%0.764SS**  trans-69.3108.5169.4-58.20000107.8E291 E295E291-T293 VanDerWaalsContact C-N 3.26Å; E291-T293 PolarHBondContact O-N 3.48Å; T293-E295 HydrophobicContact CG2-CG 4.05Å; T293-E295 PolarHBondContact O-N 3.26Å
294I25.8Very low28.7Very low150 Ų150135.7 Ų135.777%0.76976%0.764SS**  trans-69.784.4170.6-58.7173000107T292 T296T292-I294 PolarHBondContact O-N 3.12Å; T292-I294 VanDerWaalsContact O-N 3.12Å; I294-T296 VanDerWaalsContact C-N 3.34Å; I294-T296 HydrophobicContact CG2-CG2 4.28Å; I294-T296 PolarHBondContact O-N 3.39Å
295E23.2Very low28.7Very low176 Ų176135.7 Ų135.782%0.82277%0.765SS**  trans-73.387.1169.6-75.6-166.1122.500109.4T293 G297T293-E295 HydrophobicContact CG2-CG 4.05Å; T293-E295 PolarHBondContact O-N 3.26Å; E295-G297 PolarHBondContact O-N 3.4Å; E295-G297 VanDerWaalsContact O-N 3.13Å
296T29.7Very low28.9Very low112 Ų112141.7 Ų141.769%0.68778%0.776SS**  trans-80.282.6154.453.10000107.6I294 Y298I294-T296 VanDerWaalsContact C-N 3.34Å; I294-T296 HydrophobicContact CG2-CG2 4.28Å; I294-T296 PolarHBondContact O-N 3.39Å; T296-Y298 PolarHBondContact O-N 2.76Å
297G26Very low29.3Very low67 Ų67140.9 Ų140.969%0.69178%0.779SS**  trans-65107.1177.200000111.6E295 H299E295-G297 PolarHBondContact O-N 3.4Å; E295-G297 VanDerWaalsContact O-N 3.13Å; G297-H299 PolarHBondContact O-N 3.28Å
298Y29.8Very low29.6Very low215 Ų215136.8 Ų136.884%0.84378%0.775SS**  trans-84.666.3153.3-72-86.8000108.1T296 L300T296-Y298 PolarHBondContact O-N 2.76Å; Y298-L300 PolarHBondContact O-N 3.14Å
299H30.1Very low29.5Very low165 Ų165136.4 Ų136.476%0.76478%0.775SS**  trans-86.890.1173.1-161.3-87.1000109.1G297 S301G297-H299 PolarHBondContact O-N 3.28Å; H299-S301 PolarHBondContact O-N 2.85Å
300L30.5Very low30Very low148 Ų148139.3 Ų139.378%0.77578%0.778SS**  trans-71.598171.2-95.4144.7000109.6Y298Y298-L300 PolarHBondContact O-N 3.14Å
301S29.6Very low30.4Very low87 Ų87139 Ų13961%0.60877%0.773SS**  trans-10792.7159.637.10000109H299 L303H299-S301 PolarHBondContact O-N 2.85Å; S301-L303 PolarHBondContact O-N 2.99Å
302A33.7Very low31.2Very low74 Ų74136.1 Ų136.161%0.61277%0.77SS**  trans-74.9109.5164.700000108.1
303L33.3Very low31.9Very low141 Ų141135.4 Ų135.474%0.73877%0.771SS**  trans-85.6117.2172.8-72.4170.6000109.6S301S301-L303 PolarHBondContact O-N 2.99Å
304F30.6Very low33Very low189 Ų189136.2 Ų136.283%0.82978%0.776SS**  trans44.398.8154.7-57.6-75.4000119.3
305D30.3Very low33.9Very low159 Ų159136.4 Ų136.485%0.8578%0.778SS**  trans-71.8122.9154.2-83.3-57.8000110.1
306R30.9Very low34.8Very low235 Ų235132.8 Ų132.889%0.88777%0.772SS**  trans-82.1130.9161.4-84.6176.673.4-170.53.3108.4G308R306-G308 PolarHBondContact O-N 3.12Å; R306-G308 VanDerWaalsContact O-N 3.12Å
307P36.7Very low35.3Very low132 Ų132133 Ų13386%0.85778%0.778SS**  trans-73.2107.7177.528.4-30.6000109.7
308G35.1Very low36.3Very low74 Ų74135.6 Ų135.676%0.76378%0.783SS**PPolyproline II helixtrans-75.5124.317100000111.1R306R306-G308 PolarHBondContact O-N 3.12Å; R306-G308 VanDerWaalsContact O-N 3.12Å
309S35.8Very low36.9Very low118 Ų118135.1 Ų135.183%0.82581%0.809SS**PPolyproline II helixtrans-47.8136.9179.240.90000116.1
310V36.4Very low37.3Very low138 Ų138133.7 Ų133.784%0.83681%0.812SS**PPolyproline II helixtrans-63.3133.4172.8-176.70000110.6
311P36.8Very low37.6Very low107 Ų107132.9 Ų132.970%0.69581%0.813SS**PPolyproline II helixtrans-79.3151.3177.132.7-32.9000111.5
312P42.5Very low38.1Very low124 Ų124135.4 Ų135.481%0.80583%0.825SS**PPolyproline II helixtrans-79.1137.3-174.631.9-33.1000112.1
313S39.5Very low38.3Very low121 Ų121139.1 Ų139.185%0.84684%0.837SS**PPolyproline II helixtrans-68.3121.4177.6-19.50000110.9D315S313-D315 PolarHBondContact O-N 3.37Å
314T47.2Very low38.7Very low129 Ų129138.9 Ų138.979%0.79184%0.844SS**  trans-86.299166.251.70000108.7S316T314-S316 PolarHBondContact O-N 3.39Å
315D43.6Very low39.2Very low153 Ų153135.6 Ų135.682%0.81885%0.845SS**  trans-70.1115172.7-153.4-4000108.7S313S313-D315 PolarHBondContact O-N 3.37Å
316S42.6Very low39.8Very low100 Ų100133.9 Ų133.970%0.69984%0.844SS**  trans-98106.2179.4-57.90000107.7T314T314-S316 PolarHBondContact O-N 3.39Å
317S41.2Very low40.5Very low116 Ų116126.2 Ų126.281%0.81184%0.841SS**  trans-56.3133179.5-51.50000112.2
318P46.5Very low40.8Very low122 Ų122125.7 Ų125.779%0.79284%0.84SS**  trans-85.6151.516633.7-29000110.6
319C43Very low41.4Very low206 Ų206130.4 Ų130.4100%1.39285%0.847SS**  trans-65.10162.7-66.70000111.7

Retrieved 319 of 319 residues in 71.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).