A0A077Z1E0_TRITR Loading...

Dna repair protein rad51

AlphaFold DB , UniProt , Accession A0A077Z1E0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.2Very low63Low226 Ų226120.2 Ų120.2100%1.11359%0.587SS**  0127.50-92.8-177.9-111.800107.1
2N55.1Low65.7Low112 Ų112112.9 Ų112.960%0.59956%0.561SS**  trans-78.7128.4-161-159-7.1000109.7Y4 H5 D6N2-Y4 PolarHBondContact O-N 2.77Å; N2-H5 WeakPolarHBondContact O-CB 3.46Å; N2-H5 PolarHBondContact O-N 2.95Å; N2-D6 PolarHBondContact O-N 3.45Å
3L61.4Low68Low123 Ų123109.2 Ų109.264%0.64455%0.548SS*.Hα-helixtrans-47.4-32.7178.5178.766.8000112.3H5 D6 I7L3-H5 PolarHBondContact O-N 3.13Å; L3-D6 PolarHBondContact O-N 3.21Å; L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CD1-CG1 4.46Å; L3-I7 HydrophobicContact CG-CD1 3.95Å; L3-I7 HydrophobicContact CG-CG1 4.5Å; L3-I7 WeakPolarHBondContact O-CG1 3.25Å; L3-I7 PolarHBondContact O-N 3.49Å
4Y58.4Low70.1Confident158 Ų158104.2 Ų104.262%0.6252%0.52SS*.Hα-helixtrans-56.9-44.6173.2-176-92.5000113.6N2 Y8N2-Y4 PolarHBondContact O-N 2.77Å; Y4-Y8 VanDerWaalsContact O-CB 3.25Å; Y4-Y8 WeakPolarHBondContact O-CB 3.21Å; Y4-Y8 PolarHBondContact O-N 2.9Å
5H57.2Low72Confident110 Ų11097.7 Ų97.751%0.50949%0.49SS..Hα-helixtrans-67.8-38.1178.1-100.5-50.1000111.9N2 L3 Y8 N9N2-H5 WeakPolarHBondContact O-CB 3.46Å; N2-H5 PolarHBondContact O-N 2.95Å; L3-H5 PolarHBondContact O-N 3.13Å; H5-Y8 PolarHBondContact O-N 3.33Å; H5-N9 VanDerWaalsContact O-CB 3.22Å; H5-N9 WeakPolarHBondContact O-CB 3.22Å; H5-N9 PolarHBondContact O-N 2.86Å; H5-N9 PolarHBondContact O-ND2 3.43Å
6D58Low73.6Confident89 Ų8991.6 Ų91.648%0.47646%0.459SS..Hα-helixtrans-68.4-40.7179-64.5-23.7000111.3N2 L3 N10N2-D6 PolarHBondContact O-N 3.45Å; L3-D6 PolarHBondContact O-N 3.21Å; D6-N10 WeakPolarHBondContact O-CB 3.35Å; D6-N10 PolarHBondContact O-N 3.42Å; D6-N10 VanDerWaalsContact O-N 3.13Å
7I61Low75Confident85 Ų8587.4 Ų87.444%0.43644%0.444SS..Hα-helixtrans-64.9-48.4173.6-66170.8000110L3 N9 N10 T11L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CD1-CG1 4.46Å; L3-I7 HydrophobicContact CG-CD1 3.95Å; L3-I7 HydrophobicContact CG-CG1 4.5Å; L3-I7 WeakPolarHBondContact O-CG1 3.25Å; L3-I7 PolarHBondContact O-N 3.49Å; I7-N9 VanDerWaalsContact C-N 3.34Å; I7-N9 PolarHBondContact O-N 3.16Å; I7-N10 CarbonylContact O-C 3.53Å; I7-N10 PolarHBondContact O-N 3.4Å; I7-N10 VanDerWaalsContact O-N 3.16Å; I7-T11 WeakPolarHBondContact O-CB 3.41Å; I7-T11 PolarHBondContact O-N 3.08Å; I7-T11 PolarHBondContact O-OG1 3.17Å; I7-T11 VanDerWaalsContact O-OG1 3.08Å
8Y60.3Low76.2Confident149 Ų14982.8 Ų82.858%0.58442%0.421SS*.Hα-helixtrans-61.4-42-178.7-170.7-89.5000112.3Y4 H5 N10Y4-Y8 VanDerWaalsContact O-CB 3.25Å; Y4-Y8 WeakPolarHBondContact O-CB 3.21Å; Y4-Y8 PolarHBondContact O-N 2.9Å; H5-Y8 PolarHBondContact O-N 3.33Å; Y8-N10 VanDerWaalsContact C-N 3.28Å; Y8-N10 PolarHBondContact O-N 3.01Å
9N65.3Low77.3Confident122 Ų12285.5 Ų85.565%0.65243%0.431SS*.Hα-helixtrans-72.1-21.4179.1-70.1-19.9000113H5 I7H5-N9 VanDerWaalsContact O-CB 3.22Å; H5-N9 WeakPolarHBondContact O-CB 3.22Å; H5-N9 PolarHBondContact O-N 2.86Å; H5-N9 PolarHBondContact O-ND2 3.43Å; I7-N9 VanDerWaalsContact C-N 3.34Å; I7-N9 PolarHBondContact O-N 3.16Å
10N79.3Confident78.2Confident112 Ų11285.5 Ų85.560%0.59943%0.43SS*.Hα-helixtrans-103.1-1.9-179.1-15725.2000113.1D6 I7 Y8 N172D6-N10 WeakPolarHBondContact O-CB 3.35Å; D6-N10 PolarHBondContact O-N 3.42Å; D6-N10 VanDerWaalsContact O-N 3.13Å; I7-N10 CarbonylContact O-C 3.53Å; I7-N10 PolarHBondContact O-N 3.4Å; I7-N10 VanDerWaalsContact O-N 3.16Å; Y8-N10 VanDerWaalsContact C-N 3.28Å; Y8-N10 PolarHBondContact O-N 3.01Å; N10-N172 PolarHBondContact O-ND2 3.19Å
11T88.3Confident79.1Confident36 Ų3681.4 Ų81.422%0.22141%0.409CS..  trans-86.7123.7176.5-760000110.6I7 Y30 T31 N32I7-T11 WeakPolarHBondContact O-CB 3.41Å; I7-T11 PolarHBondContact O-N 3.08Å; I7-T11 PolarHBondContact O-OG1 3.17Å; I7-T11 VanDerWaalsContact O-OG1 3.08Å; T11-Y30 HydrophobicContact CG2-CD1 3.5Å; T11-Y30 HydrophobicContact CG2-CE1 4.27Å; T11-Y30 HydrophobicContact CG2-CG 4.09Å; T11-T31 WeakPolarHBondContact CA-OG1 3.44Å; T11-T31 WeakPolarHBondContact CG2-O 3.44Å; T11-N32 PolarHBondContact OG1-ND2 2.96Å; T11-N32 VanDerWaalsContact OG1-ND2 3.17Å
12A94.6Very high81.4Confident33 Ų3371.6 Ų71.627%0.27336%0.361SS..  trans-95.2157.316800000110.2Y14 Y30 T31A12-Y14 HydrophobicContact CB-CE2 3.81Å; A12-Y30 WeakPolarHBondContact O-CA 3.15Å; A12-T31 HydrophobicContact CB-CG2 3.9Å; A12-T31 PolarHBondContact N-OG1 2.78Å; A12-T31 PolarHBondContact O-N 3.37Å; A12-T31 PolarHBondContact O-OG1 2.84Å
13V95.8Very high83.4Confident65 Ų6573.4 Ų73.439%0.39436%0.36SS..EExtended strand (participates in β ladder)trans-130133.2178.146.40000109G27 Y30V13-G27 WeakPolarHBondContact CG2-O 3.4Å; V13-Y30 HydrophobicContact CB-CD2 3.69Å; V13-Y30 HydrophobicContact CB-CE2 3.63Å; V13-Y30 HydrophobicContact CB-CG 4.33Å; V13-Y30 HydrophobicContact CG1-CE2 4.47Å; V13-Y30 HydrophobicContact CG2-CD2 3.56Å; V13-Y30 HydrophobicContact CG2-CE2 3.36Å
14Y97.9Very high85Confident39 Ų3968.4 Ų68.415%0.15333%0.334CS..EExtended strand (participates in β ladder)trans-128120.3-179.3-58.6-76.4000109.8A12 F29 T31 F52 L56 K131A12-Y14 HydrophobicContact CB-CE2 3.81Å; Y14-F29 PolarHBondContact N-O 3.29Å; Y14-F29 PolarHBondContact O-N 2.7Å; Y14-T31 HydrophobicContact CD2-CG2 4.37Å; Y14-T31 HydrophobicContact CE2-CG2 3.79Å; Y14-F52 WeakPolarHBondContact O-CE2 3.43Å; Y14-L56 HydrophobicContact CD1-CD1 4.01Å; Y14-L56 HydrophobicContact CD1-CG 3.81Å; Y14-L56 HydrophobicContact CD2-CD1 3.92Å; Y14-L56 HydrophobicContact CE1-CD1 4.5Å; Y14-L56 HydrophobicContact CE1-CG 4.25Å; Y14-L56 HydrophobicContact CE2-CD1 4.41Å; Y14-L56 HydrophobicContact CG-CD1 3.69Å; Y14-L56 HydrophobicContact CG-CG 4.01Å; Y14-K131 HydrophobicContact CE2-CB 3.93Å; Y14-K131 HydrophobicContact CE2-CG 4.45Å; Y14-K131 WeakPolarHBondContact OH-CD 3.34Å
15G97.9Very high86.8Confident7 Ų761 Ų617%0.07230%0.304CS..  trans-77.4165.3178.100000113.8D22 N55G15-D22 VanDerWaalsContact CA-CG 3.43Å; G15-D22 WeakPolarHBondContact CA-OD1 3.1Å; G15-N55 PolarHBondContact O-ND2 2.63Å
16C97.8Very high88.7Confident0 Ų060.9 Ų60.90%030%0.302CS..  trans-81.7-5.4163.268.20000113.4H18 D22 F29 L48 F52 L240C16-H18 VanDerWaalsContact C-N 3.34Å; C16-D22 PolarHBondContact N-OD1 2.65Å; C16-D22 PolarHBondContact N-OD2 3.47Å; C16-D22 PolarHBondContact SG-OD1 3Å; C16-D22 VanDerWaalsContact SG-OD1 3.42Å; C16-F29 HydrophobicContact CB-CE2 4.26Å; C16-L48 HydrophobicContact CB-CD1 3.57Å; C16-F52 HydrophobicContact CB-CB 4.25Å; C16-L240 HydrophobicContact CB-CD1 4.02Å
17G96.9Very high90.4Very high20 Ų2058.3 Ų58.321%0.20630%0.297CS..SBendtrans83.49.8-179.600000113D22 K85G17-D22 WeakPolarHBondContact CA-OD2 3.44Å; G17-D22 PolarHBondContact N-OD2 2.64Å; G17-K85 VanDerWaalsContact C-NZ 3.27Å; G17-K85 WeakPolarHBondContact O-CE 3.21Å; G17-K85 PolarHBondContact O-NZ 2.9Å
18H97.2Very high92.1Very high5 Ų554.2 Ų54.22%0.02328%0.276CS..  trans-103.4110.6169.4-178.7-92.9000108.8C16 Q20 Y21 D22 L240 L241 S242C16-H18 VanDerWaalsContact C-N 3.34Å; H18-Q20 VanDerWaalsContact C-N 3.34Å; H18-Q20 PolarHBondContact O-N 3.35Å; H18-Y21 WeakPolarHBondContact ND1-CB 3.35Å; H18-Y21 PolarHBondContact ND1-N 3.38Å; H18-Y21 VanDerWaalsContact ND1-N 3.19Å; H18-Y21 WeakPolarHBondContact O-CA 3.5Å; H18-Y21 WeakPolarHBondContact O-CB 3.23Å; H18-Y21 PolarHBondContact O-N 2.89Å; H18-D22 PolarHBondContact N-OD2 3.29Å; H18-D22 PolarHBondContact O-N 3.11Å; H18-L240 HydrophobicContact CB-CB 3.82Å; H18-L240 HydrophobicContact CB-CD1 4.39Å; H18-L241 PolarHBondContact NE2-O 2.96Å; H18-S242 PolarHBondContact CD2-N 3.14Å; H18-S242 PolarHBondContact CE1-OG 2.91Å; H18-S242 VanDerWaalsContact NE2-CA 3.25Å; H18-S242 WeakPolarHBondContact NE2-CA 3.33Å; H18-S242 PolarHBondContact NE2-N 3.05Å; H18-S242 PolarHBondContact NE2-OG 3.34Å
19E96.5Very high93.9Very high133 Ų13347.3 Ų47.362%0.62125%0.249SC*.Hα-helixtrans-52.6-47.2-167.1-168.8-169.516500113.4Y21 R23E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.72Å; E19-R23 WeakPolarHBondContact O-CB 3.33Å; E19-R23 PolarHBondContact O-N 3.36Å; E19-R23 IonicContact OE1-CZ 3.84Å; E19-R23 IonicContact OE1-NH2 2.65Å; E19-R23 PolarHBondContact OE1-NH2 2.85Å
20Q96.4Very high95.4Very high85 Ų8543.5 Ų43.540%0.39723%0.226SC..Hα-helixtrans-70.2-31.4-179.4-56.9-175.340.900112.4H18 M24 V231 S242H18-Q20 VanDerWaalsContact C-N 3.34Å; H18-Q20 PolarHBondContact O-N 3.35Å; Q20-M24 WeakPolarHBondContact O-CB 3.33Å; Q20-M24 PolarHBondContact O-N 3.08Å; Q20-V231 HydrophobicContact CB-CG2 3.71Å; Q20-S242 PolarHBondContact NE2-OG 3.39Å
21Y97.1Very high96.2Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-71.4-47.8178.2-157.1-55.7000109.4H18 E19 R23 M24 L25 L48 L205 A217 V231 F233H18-Y21 WeakPolarHBondContact ND1-CB 3.35Å; H18-Y21 PolarHBondContact ND1-N 3.38Å; H18-Y21 VanDerWaalsContact ND1-N 3.19Å; H18-Y21 WeakPolarHBondContact O-CA 3.5Å; H18-Y21 WeakPolarHBondContact O-CB 3.23Å; H18-Y21 PolarHBondContact O-N 2.89Å; E19-Y21 VanDerWaalsContact C-N 3.32Å; E19-Y21 PolarHBondContact O-N 2.72Å; Y21-R23 VanDerWaalsContact C-N 3.3Å; Y21-R23 PolarHBondContact O-N 3.16Å; Y21-M24 HydrophobicContact CD1-CE 4.24Å; Y21-M24 HydrophobicContact CE1-CE 4.04Å; Y21-M24 WeakPolarHBondContact O-CB 3.18Å; Y21-M24 PolarHBondContact O-N 3.43Å; Y21-L25 HydrophobicContact CD1-CD1 3.91Å; Y21-L25 HydrophobicContact CD1-CG 4.22Å; Y21-L25 HydrophobicContact CE1-CD1 3.8Å; Y21-L25 HydrophobicContact CE1-CG 4.26Å; Y21-L25 PolarHBondContact O-N 3.08Å; Y21-L25 VanDerWaalsContact O-N 3.09Å; Y21-L48 HydrophobicContact CE1-CD1 4.27Å; Y21-L48 HydrophobicContact CE1-CD2 4.39Å; Y21-L48 HydrophobicContact CE2-CD1 4.09Å; Y21-L48 HydrophobicContact CE2-CD2 4.23Å; Y21-L48 WeakPolarHBondContact OH-CD2 3.46Å; Y21-L205 HydrophobicContact CE1-CD1 4.03Å; Y21-L205 HydrophobicContact CE1-CD2 4.25Å; Y21-L205 WeakPolarHBondContact OH-CD1 3.5Å; Y21-A217 HydrophobicContact CD2-CB 4.23Å; Y21-A217 HydrophobicContact CE2-CB 3.3Å; Y21-A217 VanDerWaalsContact OH-CB 3.29Å; Y21-A217 WeakPolarHBondContact OH-CB 3.36Å; Y21-V231 HydrophobicContact CD2-CG1 3.69Å; Y21-V231 HydrophobicContact CE2-CG1 4.17Å; Y21-V231 HydrophobicContact CG-CG1 3.93Å; Y21-F233 HydrophobicContact CD2-CD1 4.19Å; Y21-F233 HydrophobicContact CD2-CE1 4.38Å; Y21-F233 HydrophobicContact CE2-CD1 4.24Å; Y21-F233 AromaticContact CE2-CE1 3.97Å; Y21-F233 HydrophobicContact CE2-CE1 3.97Å
22D97.3Very high96.6Very high20 Ų2037.8 Ų37.811%0.10719%0.194CC..Hα-helixtrans-60.3-43.4176.2-68.1-24.3000110.1G15 C16 G17 H18 M24 L25 K26 G27 G28G15-D22 VanDerWaalsContact CA-CG 3.43Å; G15-D22 WeakPolarHBondContact CA-OD1 3.1Å; C16-D22 PolarHBondContact N-OD1 2.65Å; C16-D22 PolarHBondContact N-OD2 3.47Å; C16-D22 PolarHBondContact SG-OD1 3Å; C16-D22 VanDerWaalsContact SG-OD1 3.42Å; G17-D22 WeakPolarHBondContact CA-OD2 3.44Å; G17-D22 PolarHBondContact N-OD2 2.64Å; H18-D22 PolarHBondContact N-OD2 3.29Å; H18-D22 PolarHBondContact O-N 3.11Å; D22-M24 PolarHBondContact O-N 2.67Å; D22-L25 CarbonylContact O-C 3.58Å; D22-L25 WeakPolarHBondContact O-CA 3.38Å; D22-L25 PolarHBondContact O-N 3.43Å; D22-K26 PolarHBondContact O-N 3.11Å; D22-K26 VanDerWaalsContact O-N 3.1Å; D22-G27 CarbonylContact O-C 3.59Å; D22-G27 WeakPolarHBondContact O-CA 3.45Å; D22-G27 PolarHBondContact O-N 2.86Å; D22-G28 PolarHBondContact O-N 3.14Å
23R96.3Very high96.6Very high150 Ų15036.9 Ų36.957%0.56618%0.184SC*.Hα-helixtrans-60.6-42.6175-167.7-173.9-59157.3-1.3112.7E19 Y21 L25 K26E19-R23 WeakPolarHBondContact O-CB 3.33Å; E19-R23 PolarHBondContact O-N 3.36Å; E19-R23 IonicContact OE1-CZ 3.84Å; E19-R23 IonicContact OE1-NH2 2.65Å; E19-R23 PolarHBondContact OE1-NH2 2.85Å; Y21-R23 VanDerWaalsContact C-N 3.3Å; Y21-R23 PolarHBondContact O-N 3.16Å; R23-L25 PolarHBondContact O-N 3.21Å; R23-K26 PolarHBondContact O-N 2.98Å
24M96.5Very high96.8Very high19 Ų1933.8 Ų33.89%0.09417%0.165CC..Hα-helixtrans-58-36.6174.3-176.2-176.570.100111.2Q20 Y21 D22 K26 L205 L219 N229 V231Q20-M24 WeakPolarHBondContact O-CB 3.33Å; Q20-M24 PolarHBondContact O-N 3.08Å; Y21-M24 HydrophobicContact CD1-CE 4.24Å; Y21-M24 HydrophobicContact CE1-CE 4.04Å; Y21-M24 WeakPolarHBondContact O-CB 3.18Å; Y21-M24 PolarHBondContact O-N 3.43Å; D22-M24 PolarHBondContact O-N 2.67Å; M24-K26 VanDerWaalsContact C-N 3.3Å; M24-K26 PolarHBondContact O-N 3.05Å; M24-L205 HydrophobicContact CE-CD2 3.57Å; M24-L219 HydrophobicContact CE-CB 4.39Å; M24-L219 HydrophobicContact CG-CB 4.41Å; M24-L219 HydrophobicContact SD-CB 4.15Å; M24-N229 HydrophobicContact CG-CB 4.16Å; M24-N229 HydrophobicContact SD-CB 4.41Å; M24-V231 HydrophobicContact CE-CG1 3.7Å; M24-V231 HydrophobicContact SD-CB 4.36Å; M24-V231 HydrophobicContact SD-CG1 3.85Å
25L96.1Very high96.8Very high2 Ų232 Ų321%0.0116%0.159CC..THydrogen-bonded Turntrans-86.811.5175.5-64.7-177.5000114.6Y21 D22 R23 G27 G28 F29 T203 L205 L219 R224Y21-L25 HydrophobicContact CD1-CD1 3.91Å; Y21-L25 HydrophobicContact CD1-CG 4.22Å; Y21-L25 HydrophobicContact CE1-CD1 3.8Å; Y21-L25 HydrophobicContact CE1-CG 4.26Å; Y21-L25 PolarHBondContact O-N 3.08Å; Y21-L25 VanDerWaalsContact O-N 3.09Å; D22-L25 CarbonylContact O-C 3.58Å; D22-L25 WeakPolarHBondContact O-CA 3.38Å; D22-L25 PolarHBondContact O-N 3.43Å; R23-L25 PolarHBondContact O-N 3.21Å; L25-G27 VanDerWaalsContact C-N 3.28Å; L25-G27 PolarHBondContact O-N 3.44Å; L25-G28 WeakPolarHBondContact CB-O 3.46Å; L25-F29 HydrophobicContact CD1-CD1 4.49Å; L25-F29 HydrophobicContact CD1-CD2 4.41Å; L25-F29 HydrophobicContact CD1-CE1 4.22Å; L25-F29 HydrophobicContact CD1-CE2 4.11Å; L25-F29 HydrophobicContact CD1-CZ 4.02Å; L25-T203 HydrophobicContact CD2-CG2 4.26Å; L25-L205 HydrophobicContact CD1-CD1 4.36Å; L25-L205 HydrophobicContact CD2-CD1 4.32Å; L25-L205 HydrophobicContact CD2-CD2 4.12Å; L25-L219 HydrophobicContact CD2-CD1 4Å; L25-R224 PolarHBondContact O-NH1 3.29Å
26K95.4Very high96.8Very high107 Ų10731.7 Ų31.747%0.46516%0.155SC..THydrogen-bonded Turntrans55.838.9-175.5-51.5-69.3-175.11800113.3D22 R23 M24 Y30 A225D22-K26 PolarHBondContact O-N 3.11Å; D22-K26 VanDerWaalsContact O-N 3.1Å; R23-K26 PolarHBondContact O-N 2.98Å; M24-K26 VanDerWaalsContact C-N 3.3Å; M24-K26 PolarHBondContact O-N 3.05Å; K26-Y30 PolarHBondContact O-OH 3.41Å; K26-A225 HydrophobicContact CG-CB 3.87Å
27G94.9Very high96.8Very high35 Ų3531.7 Ų31.736%0.36116%0.155SC..THydrogen-bonded Turntrans120.2-21177.300000113.9V13 D22 L25V13-G27 WeakPolarHBondContact CG2-O 3.4Å; D22-G27 CarbonylContact O-C 3.59Å; D22-G27 WeakPolarHBondContact O-CA 3.45Å; D22-G27 PolarHBondContact O-N 2.86Å; L25-G27 VanDerWaalsContact C-N 3.28Å; L25-G27 PolarHBondContact O-N 3.44Å
28G96.9Very high96.9Very high0 Ų030.8 Ų30.80%015%0.146CC..SBendtrans138-151.2179.100000113.9D22 L25 Y30 R224D22-G28 PolarHBondContact O-N 3.14Å; L25-G28 WeakPolarHBondContact CB-O 3.46Å; G28-Y30 WeakPolarHBondContact O-CD2 3.45Å; G28-R224 PolarHBondContact O-NH2 2.87Å
29F97.6Very high96.9Very high3 Ų330.5 Ų30.51%0.01315%0.145CC..EExtended strand (participates in β ladder)trans-83.9122.1178.1-57.7-92.5000109.9Y14 C16 L25 T35 L48 F52 C174 V176 L205Y14-F29 PolarHBondContact N-O 3.29Å; Y14-F29 PolarHBondContact O-N 2.7Å; C16-F29 HydrophobicContact CB-CE2 4.26Å; L25-F29 HydrophobicContact CD1-CD1 4.49Å; L25-F29 HydrophobicContact CD1-CD2 4.41Å; L25-F29 HydrophobicContact CD1-CE1 4.22Å; L25-F29 HydrophobicContact CD1-CE2 4.11Å; L25-F29 HydrophobicContact CD1-CZ 4.02Å; F29-T35 HydrophobicContact CD1-CG2 3.89Å; F29-T35 HydrophobicContact CE1-CG2 3.74Å; F29-L48 HydrophobicContact CZ-CD1 4.33Å; F29-L48 HydrophobicContact CZ-CD2 4.39Å; F29-L48 HydrophobicContact CZ-CG 4.47Å; F29-F52 HydrophobicContact CB-CD2 4.49Å; F29-F52 HydrophobicContact CB-CE2 3.8Å; F29-F52 HydrophobicContact CB-CZ 4.13Å; F29-F52 AromaticContact CD2-CD2 3.38Å; F29-F52 HydrophobicContact CD2-CD2 3.38Å; F29-F52 AromaticContact CD2-CE2 3.57Å; F29-F52 HydrophobicContact CD2-CE2 3.57Å; F29-F52 HydrophobicContact CD2-CG 4.06Å; F29-F52 HydrophobicContact CD2-CZ 4.4Å; F29-F52 HydrophobicContact CE2-CB 4.35Å; F29-F52 AromaticContact CE2-CD2 3.89Å; F29-F52 HydrophobicContact CE2-CD2 3.89Å; F29-F52 HydrophobicContact CE2-CE2 4.48Å; F29-F52 HydrophobicContact CE2-CG 4.21Å; F29-F52 HydrophobicContact CG-CD2 4.17Å; F29-F52 AromaticContact CG-CE2 3.96Å; F29-F52 HydrophobicContact CG-CE2 3.96Å; F29-F52 HydrophobicContact CG-CZ 4.43Å; F29-C174 HydrophobicContact CB-CB 4.39Å; F29-C174 PolarHBondContact O-SG 2.87Å; F29-V176 HydrophobicContact CB-CG2 4.47Å; F29-V176 HydrophobicContact CD1-CG1 4.5Å; F29-V176 HydrophobicContact CD1-CG2 3.62Å; F29-V176 HydrophobicContact CE1-CG1 4.12Å; F29-V176 HydrophobicContact CE1-CG2 4.07Å; F29-V176 HydrophobicContact CG-CG2 4.13Å; F29-L205 HydrophobicContact CE1-CD1 4.26Å; F29-L205 HydrophobicContact CZ-CD1 4.5Å
30Y96.7Very high96.8Very high43 Ų4325.8 Ų25.817%0.16913%0.125CC..EExtended strand (participates in β ladder)trans-89.1143.4-175.5-81.6-139.2000110.7T11 A12 V13 K26 G28 E33 C174 R224T11-Y30 HydrophobicContact CG2-CD1 3.5Å; T11-Y30 HydrophobicContact CG2-CE1 4.27Å; T11-Y30 HydrophobicContact CG2-CG 4.09Å; A12-Y30 WeakPolarHBondContact O-CA 3.15Å; V13-Y30 HydrophobicContact CB-CD2 3.69Å; V13-Y30 HydrophobicContact CB-CE2 3.63Å; V13-Y30 HydrophobicContact CB-CG 4.33Å; V13-Y30 HydrophobicContact CG1-CE2 4.47Å; V13-Y30 HydrophobicContact CG2-CD2 3.56Å; V13-Y30 HydrophobicContact CG2-CE2 3.36Å; K26-Y30 PolarHBondContact O-OH 3.41Å; G28-Y30 WeakPolarHBondContact O-CD2 3.45Å; Y30-E33 WeakPolarHBondContact O-CB 3.47Å; Y30-E33 PolarHBondContact O-N 3.07Å; Y30-C174 PolarHBondContact O-SG 3.43Å; Y30-C174 VanDerWaalsContact O-SG 3.41Å; Y30-R224 VanDerWaalsContact CD2-NH1 3.33Å; Y30-R224 PolarHBondContact OH-NH1 3.32Å
31T96.1Very high96.7Very high3 Ų328 Ų282%0.01814%0.144CC..THydrogen-bonded Turntrans-66.5153.2164.664.70000109.2T11 A12 Y14 E33 N172 C174T11-T31 WeakPolarHBondContact CA-OG1 3.44Å; T11-T31 WeakPolarHBondContact CG2-O 3.44Å; A12-T31 HydrophobicContact CB-CG2 3.9Å; A12-T31 PolarHBondContact N-OG1 2.78Å; A12-T31 PolarHBondContact O-N 3.37Å; A12-T31 PolarHBondContact O-OG1 2.84Å; Y14-T31 HydrophobicContact CD2-CG2 4.37Å; Y14-T31 HydrophobicContact CE2-CG2 3.79Å; T31-E33 PolarHBondContact O-N 2.82Å; T31-N172 WeakPolarHBondContact CB-O 3.41Å; T31-N172 WeakPolarHBondContact CB-OD1 3.2Å; T31-N172 WeakPolarHBondContact CG2-O 3.33Å; T31-N172 PolarHBondContact OG1-OD1 3.02Å; T31-C174 VanDerWaalsContact CG2-SG 3.56Å; T31-C174 PolarHBondContact N-SG 3.21Å
32N95.8Very high96.5Very high25 Ų2530.8 Ų30.813%0.13417%0.173CC..THydrogen-bonded Turntrans69.48.9-166.2-54.2-51.7000114.3T11 A168 K169 N172 L173T11-N32 PolarHBondContact OG1-ND2 2.96Å; T11-N32 VanDerWaalsContact OG1-ND2 3.17Å; N32-A168 WeakPolarHBondContact CA-O 3.39Å; N32-A168 PolarHBondContact OD1-O 3.1Å; N32-K169 HydrophobicContact CB-CD 4.34Å; N32-K169 WeakPolarHBondContact O-CD 3.14Å; N32-K169 WeakPolarHBondContact O-CE 3.18Å; N32-K169 PolarHBondContact O-NZ 3.08Å; N32-K169 PolarHBondContact OD1-O 3Å; N32-N172 PolarHBondContact ND2-OD1 3.47Å; N32-N172 VanDerWaalsContact OD1-CA 3.23Å; N32-N172 WeakPolarHBondContact OD1-CA 3.35Å; N32-N172 PolarHBondContact OD1-OD1 2.98Å; N32-L173 PolarHBondContact N-O 3.01Å; N32-L173 VanDerWaalsContact N-O 3.08Å
33E96.5Very high96.4Very high13 Ų1329.8 Ų29.86%0.06117%0.168CC..EExtended strand (participates in β ladder)trans-116.4138.6177.1-64.3-166.2160.500113.2Y30 T31 V175 D202 R224Y30-E33 WeakPolarHBondContact O-CB 3.47Å; Y30-E33 PolarHBondContact O-N 3.07Å; T31-E33 PolarHBondContact O-N 2.82Å; E33-V175 PolarHBondContact O-N 3.4Å; E33-D202 HydrophobicContact CB-CB 4.45Å; E33-R224 VanDerWaalsContact CD-NE 3.25Å; E33-R224 WeakPolarHBondContact OE1-CD 3.42Å; E33-R224 IonicContact OE1-CZ 3.43Å; E33-R224 IonicContact OE1-NE 3.14Å; E33-R224 PolarHBondContact OE1-NE 3.33Å; E33-R224 IonicContact OE1-NH2 2.86Å; E33-R224 IonicContact OE2-CZ 2.64Å; E33-R224 IonicContact OE2-NE 3.93Å; E33-R224 PolarHBondContact OE2-NE 3.11Å; E33-R224 VanDerWaalsContact OE2-NE 3.14Å; E33-R224 IonicContact OE2-NH2 3.74Å; E33-R224 PolarHBondContact OE2-NH2 3.49Å
34F98.1Very high96.3Very high0 Ų023.2 Ų23.20%015%0.146CC..EExtended strand (participates in β ladder)trans-96.5110.7166.7176.8-148.7000110.1L164 R165 V175 V177 W197 I200 P201 D202 T203F34-L164 HydrophobicContact CD2-CB 4.39Å; F34-L164 HydrophobicContact CE1-CB 4.38Å; F34-L164 HydrophobicContact CE2-CB 4.11Å; F34-L164 HydrophobicContact CE2-CD1 4.26Å; F34-L164 HydrophobicContact CZ-CB 4.11Å; F34-L164 HydrophobicContact CZ-CD1 4.04Å; F34-R165 HydrophobicContact CB-CB 4.27Å; F34-R165 HydrophobicContact CB-CG 4.38Å; F34-R165 HydrophobicContact CD1-CB 4.05Å; F34-V175 CarbonylContact C-O 3.57Å; F34-V175 WeakPolarHBondContact CA-O 3.4Å; F34-V175 HydrophobicContact CD2-CB 4.23Å; F34-V175 HydrophobicContact CD2-CG1 3.79Å; F34-V175 HydrophobicContact CE2-CG1 4.23Å; F34-V177 HydrophobicContact CD2-CG2 4.48Å; F34-V177 HydrophobicContact CE2-CB 4.08Å; F34-V177 HydrophobicContact CE2-CG1 3.59Å; F34-V177 HydrophobicContact CE2-CG2 3.37Å; F34-V177 HydrophobicContact CZ-CG1 4.35Å; F34-V177 HydrophobicContact CZ-CG2 3.75Å; F34-W197 AromaticContact CZ-CH2 3.88Å; F34-W197 HydrophobicContact CZ-CH2 3.88Å; F34-W197 AromaticContact CZ-CZ2 3.79Å; F34-W197 HydrophobicContact CZ-CZ2 3.79Å; F34-I200 HydrophobicContact CD1-CG2 4.16Å; F34-I200 HydrophobicContact CE1-CG2 4.07Å; F34-P201 HydrophobicContact CD1-CB 4.27Å; F34-P201 HydrophobicContact CD1-CG 4.27Å; F34-P201 HydrophobicContact CE1-CB 4.29Å; F34-P201 HydrophobicContact CE1-CG 3.8Å; F34-P201 HydrophobicContact CZ-CG 4.13Å; F34-P201 CarbonylContact O-C 3.58Å; F34-D202 PolarHBondContact N-OD2 2.79Å; F34-D202 PolarHBondContact O-N 2.94Å; F34-T203 PolarHBondContact O-N 2.8Å
35T98.4Very high96.4Very high3 Ų322.8 Ų22.82%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-108.7128.5-178.2-56.50000111.4F29 V175 V176 V177 T203 L205F29-T35 HydrophobicContact CD1-CG2 3.89Å; F29-T35 HydrophobicContact CE1-CG2 3.74Å; T35-V175 PolarHBondContact N-O 3.09Å; T35-V176 CarbonylContact O-C 3.55Å; T35-V176 WeakPolarHBondContact O-CA 3.46Å; T35-V177 PolarHBondContact O-N 3.32Å; T35-T203 CarbonylContact C-O 3.52Å; T35-T203 WeakPolarHBondContact CA-O 3.4Å; T35-T203 HydrophobicContact CG2-CG2 3.96Å; T35-L205 HydrophobicContact CG2-CD1 4.13Å
36E98.5Very high96.5Very high0 Ų024.2 Ų24.20%015%0.154CC..EExtended strand (participates in β ladder)trans-100132.5169.9171.1-178-135.100110.8V177 N179 W197 P201 T203 R204 L205E36-V177 WeakPolarHBondContact CA-O 3.46Å; E36-V177 HydrophobicContact CB-CG2 4.23Å; E36-N179 HydrophobicContact CG-CB 4.11Å; E36-N179 VanDerWaalsContact OE1-CB 3.31Å; E36-N179 WeakPolarHBondContact OE1-CB 3.37Å; E36-N179 PolarHBondContact OE1-ND2 2.81Å; E36-W197 VanDerWaalsContact CD-NE1 3.32Å; E36-W197 VanDerWaalsContact OE1-CD1 3.3Å; E36-W197 PolarHBondContact OE1-NE1 2.82Å; E36-P201 HydrophobicContact CB-CB 3.8Å; E36-P201 HydrophobicContact CB-CG 3.66Å; E36-T203 PolarHBondContact N-O 3.48Å; E36-R204 HydrophobicContact CB-CG 4.27Å; E36-R204 CarbonylContact O-C 3.57Å; E36-R204 WeakPolarHBondContact O-CA 3.49Å; E36-R204 VanDerWaalsContact OE2-CD 3.28Å; E36-R204 WeakPolarHBondContact OE2-CD 2.93Å; E36-L205 PolarHBondContact O-N 2.96Å
37V98.4Very high96.6Very high0 Ų021.6 Ų21.60%014%0.144CC..EExtended strand (participates in β ladder)trans-111.6105.3168.5-175.70000108.1K45 L48 V176 V177 V178 N179 L205 V207V37-K45 HydrophobicContact CG1-CB 3.97Å; V37-K45 HydrophobicContact CG1-CD 4.3Å; V37-K45 HydrophobicContact CG1-CG 4.02Å; V37-L48 HydrophobicContact CG1-CD2 3.89Å; V37-L48 HydrophobicContact CG2-CD2 3.98Å; V37-V176 HydrophobicContact CG2-CG1 4.02Å; V37-V177 PolarHBondContact N-O 3.4Å; V37-V178 CarbonylContact O-C 3.58Å; V37-V178 WeakPolarHBondContact O-CA 3.35Å; V37-V178 WeakPolarHBondContact O-CG1 3.4Å; V37-N179 PolarHBondContact O-N 3.42Å; V37-L205 HydrophobicContact CG2-CD1 4.12Å; V37-V207 HydrophobicContact CG1-CG2 3.59Å
38S98Very high96.8Very high0 Ų020 Ų200%013%0.127CC..EExtended strand (participates in β ladder)trans-104.4158-179.465.90000112.1N179 L205 L206 V207S38-N179 VanDerWaalsContact CA-O 3.27Å; S38-N179 WeakPolarHBondContact CA-O 3.07Å; S38-L205 PolarHBondContact N-O 3.06Å; S38-L205 PolarHBondContact OG-O 2.89Å; S38-L206 CarbonylContact O-C 3.55Å; S38-L206 WeakPolarHBondContact O-CA 3.42Å; S38-V207 PolarHBondContact O-N 2.95Å
39G97.4Very high96.8Very high0 Ų020 Ų200%013%0.127CC..EExtended strand (participates in β ladder)trans156.8167.3177.600000113.9K45 N179 N180 A181 V207G39-K45 WeakPolarHBondContact O-CE 3.28Å; G39-K45 PolarHBondContact O-NZ 3.14Å; G39-N179 PolarHBondContact N-O 2.97Å; G39-N180 CarbonylContact O-C 3.54Å; G39-A181 VanDerWaalsContact CA-CB 3.47Å; G39-A181 PolarHBondContact O-N 2.75Å; G39-V207 WeakPolarHBondContact CA-O 3.44Å
40P95.3Very high96.9Very high33 Ų3320 Ų2021%0.21413%0.127CC..  trans-67.6166.7178.830.4-35.5000111.9G43 K45 L189 V207P40-G43 PolarHBondContact O-N 3.45Å; P40-G43 VanDerWaalsContact O-N 3.17Å; P40-K45 PolarHBondContact O-NZ 2.74Å; P40-L189 HydrophobicContact CG-CD1 4.43Å; P40-V207 WeakPolarHBondContact CD-O 3.29Å
41V93.3Very high97Very high131 Ų13118 Ų1879%0.79412%0.12SC*.THydrogen-bonded Turntrans-57.4141.1170.4179.70000109.1G43V41-G43 PolarHBondContact O-N 2.71Å
42G93.3Very high97.1Very high59 Ų5918 Ų1861%0.60812%0.119SC*.THydrogen-bonded Turntrans76.3-3-177.100000115G44 F215G42-G44 PolarHBondContact O-N 3.44Å; G42-F215 VanDerWaalsContact O-CE1 3.29Å; G42-F215 WeakPolarHBondContact O-CE1 3.35Å
43G94.5Very high97.2Very high0 Ų016.8 Ų16.80%011%0.113CC..SBendtrans-71.311179.400000116.4P40 V41 K45 V207P40-G43 PolarHBondContact O-N 3.45Å; P40-G43 VanDerWaalsContact O-N 3.17Å; V41-G43 PolarHBondContact O-N 2.71Å; G43-K45 PolarHBondContact O-N 2.97Å; G43-V207 WeakPolarHBondContact O-CG1 3.41Å
44G95.6Very high97.3Very high11 Ų1116.1 Ų16.111%0.11311%0.11CC..SBendtrans81.27.5175.600000116.8G42 S46 Q47 L48G42-G44 PolarHBondContact O-N 3.44Å; G44-S46 PolarHBondContact O-N 3.36Å; G44-Q47 WeakPolarHBondContact O-CB 3.33Å; G44-Q47 PolarHBondContact O-N 3.18Å; G44-L48 PolarHBondContact O-N 3.49Å
45K97.7Very high97.2Very high10 Ų1017.3 Ų17.34%0.04312%0.116CC..Hα-helixtrans-62.7-44.8-175.2-49.8-176.6-60.1-79.50114.1V37 G39 P40 G43 Q47 L48 C49 H137 V178 N179 V207V37-K45 HydrophobicContact CG1-CB 3.97Å; V37-K45 HydrophobicContact CG1-CD 4.3Å; V37-K45 HydrophobicContact CG1-CG 4.02Å; G39-K45 WeakPolarHBondContact O-CE 3.28Å; G39-K45 PolarHBondContact O-NZ 3.14Å; P40-K45 PolarHBondContact O-NZ 2.74Å; G43-K45 PolarHBondContact O-N 2.97Å; K45-Q47 VanDerWaalsContact C-N 3.3Å; K45-Q47 PolarHBondContact O-N 3.42Å; K45-L48 WeakPolarHBondContact O-CB 3.28Å; K45-L48 PolarHBondContact O-N 2.85Å; K45-C49 PolarHBondContact O-N 2.73Å; K45-C49 VanDerWaalsContact O-N 3.12Å; K45-C49 PolarHBondContact O-SG 3.42Å; K45-C49 VanDerWaalsContact O-SG 3.4Å; K45-H137 WeakPolarHBondContact CE-NE2 3.29Å; K45-H137 PolarHBondContact NZ-NE2 2.82Å; K45-V178 HydrophobicContact CB-CG1 3.43Å; K45-V178 VanDerWaalsContact CB-CG1 3.43Å; K45-V178 HydrophobicContact CD-CG1 3.68Å; K45-V178 HydrophobicContact CG-CG1 4.17Å; K45-N179 VanDerWaalsContact CE-O 3.3Å; K45-N179 WeakPolarHBondContact CE-O 3.36Å; K45-V207 HydrophobicContact CG-CB 4.21Å
46S97.5Very high97.2Very high33 Ų3317.2 Ų17.223%0.23112%0.116CC..Hα-helixtrans-64.4-37.3175.5-52.90000111.3G44 L48 C49 L50 D136G44-S46 PolarHBondContact O-N 3.36Å; S46-L48 VanDerWaalsContact C-N 3.35Å; S46-L48 PolarHBondContact O-N 2.92Å; S46-C49 WeakPolarHBondContact O-CB 3.34Å; S46-C49 PolarHBondContact O-N 2.85Å; S46-C49 VanDerWaalsContact O-N 3.14Å; S46-L50 WeakPolarHBondContact O-CG 3.46Å; S46-L50 PolarHBondContact O-N 3.42Å; S46-D136 WeakPolarHBondContact CA-OD2 3.46Å; S46-D136 WeakPolarHBondContact CB-OD2 3.46Å; S46-D136 PolarHBondContact OG-OD2 2.8Å
47Q97.9Very high97.2Very high51 Ų5117.2 Ų17.224%0.23812%0.116CC..Hα-helixtrans-64.3-38.9175.8-68.8-70.2-38.500111.7G44 K45 C49 L50 C51 I235G44-Q47 WeakPolarHBondContact O-CB 3.33Å; G44-Q47 PolarHBondContact O-N 3.18Å; K45-Q47 VanDerWaalsContact C-N 3.3Å; K45-Q47 PolarHBondContact O-N 3.42Å; Q47-C49 VanDerWaalsContact C-N 3.34Å; Q47-C49 PolarHBondContact O-N 2.78Å; Q47-L50 PolarHBondContact O-N 2.92Å; Q47-C51 WeakPolarHBondContact O-CB 3.47Å; Q47-C51 PolarHBondContact O-N 2.87Å; Q47-C51 PolarHBondContact O-SG 3.46Å; Q47-I235 HydrophobicContact CB-CD1 3.82Å; Q47-I235 HydrophobicContact CB-CG1 4.49Å; Q47-I235 HydrophobicContact CB-CG2 4.32Å; Q47-I235 HydrophobicContact CG-CD1 3.92Å; Q47-I235 HydrophobicContact CG-CG2 4.13Å
48L98.3Very high97.1Very high1 Ų118.6 Ų18.61%0.00513%0.127CC..Hα-helixtrans-58.3-45.1170.5170.165.9000111.8C16 Y21 F29 V37 G44 K45 S46 C51 F52 L240C16-L48 HydrophobicContact CB-CD1 3.57Å; Y21-L48 HydrophobicContact CE1-CD1 4.27Å; Y21-L48 HydrophobicContact CE1-CD2 4.39Å; Y21-L48 HydrophobicContact CE2-CD1 4.09Å; Y21-L48 HydrophobicContact CE2-CD2 4.23Å; Y21-L48 WeakPolarHBondContact OH-CD2 3.46Å; F29-L48 HydrophobicContact CZ-CD1 4.33Å; F29-L48 HydrophobicContact CZ-CD2 4.39Å; F29-L48 HydrophobicContact CZ-CG 4.47Å; V37-L48 HydrophobicContact CG1-CD2 3.89Å; V37-L48 HydrophobicContact CG2-CD2 3.98Å; G44-L48 PolarHBondContact O-N 3.49Å; K45-L48 WeakPolarHBondContact O-CB 3.28Å; K45-L48 PolarHBondContact O-N 2.85Å; S46-L48 VanDerWaalsContact C-N 3.35Å; S46-L48 PolarHBondContact O-N 2.92Å; L48-C51 PolarHBondContact O-N 3.42Å; L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 2.95Å; L48-L240 HydrophobicContact CB-CD1 4.35Å; L48-L240 HydrophobicContact CD1-CD1 3.51Å
49C98.5Very high97Very high2 Ų223.6 Ų23.61%0.01415%0.154CC..Hα-helixtrans-63.7-42.3178.2-65.60000112.4K45 S46 Q47 F52 M53 F66 V134 V178K45-C49 PolarHBondContact O-N 2.73Å; K45-C49 VanDerWaalsContact O-N 3.12Å; K45-C49 PolarHBondContact O-SG 3.42Å; K45-C49 VanDerWaalsContact O-SG 3.4Å; S46-C49 WeakPolarHBondContact O-CB 3.34Å; S46-C49 PolarHBondContact O-N 2.85Å; S46-C49 VanDerWaalsContact O-N 3.14Å; Q47-C49 VanDerWaalsContact C-N 3.34Å; Q47-C49 PolarHBondContact O-N 2.78Å; C49-F52 PolarHBondContact O-N 3.22Å; C49-M53 VanDerWaalsContact O-CB 3.31Å; C49-M53 WeakPolarHBondContact O-CB 3.27Å; C49-M53 PolarHBondContact O-N 2.94Å; C49-F66 HydrophobicContact CB-CE2 4.05Å; C49-V134 HydrophobicContact CB-CG1 3.92Å; C49-V178 WeakPolarHBondContact SG-CG2 3.35Å
50L98.4Very high96.9Very high2 Ų225 Ų251%0.0116%0.163CC..Hα-helixtrans-65.8-38.4176-63.9174.1000111.9S46 Q47 M53 A54 F66 F73 R77 I78 I81S46-L50 WeakPolarHBondContact O-CG 3.46Å; S46-L50 PolarHBondContact O-N 3.42Å; Q47-L50 PolarHBondContact O-N 2.92Å; L50-M53 PolarHBondContact O-N 2.62Å; L50-A54 WeakPolarHBondContact O-CB 3.08Å; L50-A54 PolarHBondContact O-N 3.19Å; L50-F66 HydrophobicContact CD2-CE2 4.39Å; L50-F73 HydrophobicContact CD2-CD2 4.44Å; L50-R77 HydrophobicContact CD1-CB 4.1Å; L50-R77 HydrophobicContact CD1-CG 3.73Å; L50-I78 HydrophobicContact CB-CG1 4.5Å; L50-I78 HydrophobicContact CD2-CD1 4.08Å; L50-I78 HydrophobicContact CD2-CG1 3.97Å; L50-I81 HydrophobicContact CB-CD1 4.42Å
51C98.5Very high96.8Very high2 Ų229.5 Ų29.51%0.01419%0.186CC..Hα-helixtrans-66.1-44.5175-67.20000112.1Q47 L48 M53 A54 N55 G239 L240Q47-C51 WeakPolarHBondContact O-CB 3.47Å; Q47-C51 PolarHBondContact O-N 2.87Å; Q47-C51 PolarHBondContact O-SG 3.46Å; L48-C51 PolarHBondContact O-N 3.42Å; C51-M53 VanDerWaalsContact C-N 3.33Å; C51-M53 PolarHBondContact O-N 3.04Å; C51-A54 PolarHBondContact O-N 2.91Å; C51-N55 VanDerWaalsContact O-CB 3.28Å; C51-N55 WeakPolarHBondContact O-CB 2.98Å; C51-N55 PolarHBondContact O-N 3.16Å; C51-G239 WeakPolarHBondContact SG-CA 3.36Å; C51-L240 HydrophobicContact CB-CD1 3.97Å; C51-L240 HydrophobicContact CB-CG 4.14Å; C51-L240 PolarHBondContact SG-N 2.64Å; C51-L240 VanDerWaalsContact SG-N 3.4Å
52F98.6Very high97Very high1 Ų123.3 Ų23.30%0.00415%0.148CC..Hα-helixtrans-55.2-48.9172.3170.1-111.9000112.2Y14 C16 F29 L48 C49 N55 L56 A132 V134 C174 V176Y14-F52 WeakPolarHBondContact O-CE2 3.43Å; C16-F52 HydrophobicContact CB-CB 4.25Å; F29-F52 HydrophobicContact CB-CD2 4.49Å; F29-F52 HydrophobicContact CB-CE2 3.8Å; F29-F52 HydrophobicContact CB-CZ 4.13Å; F29-F52 AromaticContact CD2-CD2 3.38Å; F29-F52 HydrophobicContact CD2-CD2 3.38Å; F29-F52 AromaticContact CD2-CE2 3.57Å; F29-F52 HydrophobicContact CD2-CE2 3.57Å; F29-F52 HydrophobicContact CD2-CG 4.06Å; F29-F52 HydrophobicContact CD2-CZ 4.4Å; F29-F52 HydrophobicContact CE2-CB 4.35Å; F29-F52 AromaticContact CE2-CD2 3.89Å; F29-F52 HydrophobicContact CE2-CD2 3.89Å; F29-F52 HydrophobicContact CE2-CE2 4.48Å; F29-F52 HydrophobicContact CE2-CG 4.21Å; F29-F52 HydrophobicContact CG-CD2 4.17Å; F29-F52 AromaticContact CG-CE2 3.96Å; F29-F52 HydrophobicContact CG-CE2 3.96Å; F29-F52 HydrophobicContact CG-CZ 4.43Å; L48-F52 WeakPolarHBondContact O-CB 3.46Å; L48-F52 PolarHBondContact O-N 2.95Å; C49-F52 PolarHBondContact O-N 3.22Å; F52-N55 PolarHBondContact O-N 3.38Å; F52-L56 HydrophobicContact CE1-CD1 4.44Å; F52-L56 HydrophobicContact CE2-CD1 4.3Å; F52-L56 HydrophobicContact CZ-CD1 3.87Å; F52-L56 WeakPolarHBondContact O-CB 3.37Å; F52-L56 PolarHBondContact O-N 3.18Å; F52-A132 HydrophobicContact CE1-CB 3.7Å; F52-A132 HydrophobicContact CZ-CB 3.83Å; F52-V134 HydrophobicContact CD1-CG2 4.22Å; F52-V134 HydrophobicContact CE1-CG2 4.29Å; F52-C174 HydrophobicContact CZ-CB 4.2Å; F52-V176 HydrophobicContact CE1-CG2 4.23Å
53M98.2Very high97.2Very high0 Ų023.2 Ų23.20%013%0.13CC..Hα-helixtrans-63.1-47.4179.1-172.6163.1176.600112.3C49 L50 C51 N55 L56 I57 V64 F66 F73 I78 A101C49-M53 VanDerWaalsContact O-CB 3.31Å; C49-M53 WeakPolarHBondContact O-CB 3.27Å; C49-M53 PolarHBondContact O-N 2.94Å; L50-M53 PolarHBondContact O-N 2.62Å; C51-M53 VanDerWaalsContact C-N 3.33Å; C51-M53 PolarHBondContact O-N 3.04Å; M53-N55 PolarHBondContact O-N 3.46Å; M53-L56 PolarHBondContact O-N 3.17Å; M53-I57 WeakPolarHBondContact O-CG1 3.48Å; M53-I57 PolarHBondContact O-N 3.2Å; M53-V64 HydrophobicContact CB-CG1 4.48Å; M53-V64 HydrophobicContact CE-CB 4.12Å; M53-V64 HydrophobicContact CE-CG1 4.34Å; M53-V64 HydrophobicContact CG-CB 3.92Å; M53-V64 HydrophobicContact CG-CG1 3.96Å; M53-V64 HydrophobicContact CG-CG2 4.14Å; M53-V64 HydrophobicContact SD-CB 4.31Å; M53-V64 HydrophobicContact SD-CG1 4.01Å; M53-F66 HydrophobicContact CE-CB 4.28Å; M53-F66 HydrophobicContact SD-CB 4.12Å; M53-F66 HydrophobicContact SD-CD2 3.89Å; M53-F66 HydrophobicContact SD-CG 4.44Å; M53-F73 HydrophobicContact CE-CE2 3.83Å; M53-F73 HydrophobicContact SD-CE2 4.17Å; M53-I78 HydrophobicContact CE-CD1 4.06Å; M53-I78 HydrophobicContact CG-CD1 4.18Å; M53-I78 HydrophobicContact SD-CD1 3.88Å; M53-A101 HydrophobicContact CE-CB 3.09Å
54A98.1Very high97.4Very high0 Ų023.2 Ų23.20%013%0.13CC..Hα-helixtrans-59.5-44.3175.800000112L50 C51 I57 A58 I78 I81 L82L50-A54 WeakPolarHBondContact O-CB 3.08Å; L50-A54 PolarHBondContact O-N 3.19Å; C51-A54 PolarHBondContact O-N 2.91Å; A54-I57 WeakPolarHBondContact O-CG1 3.38Å; A54-A58 VanDerWaalsContact O-CB 3.27Å; A54-A58 WeakPolarHBondContact O-CB 3.16Å; A54-A58 PolarHBondContact O-N 3.05Å; A54-I78 HydrophobicContact CB-CG2 4.08Å; A54-I81 HydrophobicContact CB-CB 4.08Å; A54-I81 HydrophobicContact CB-CG2 3.66Å; A54-L82 HydrophobicContact CB-CD2 4.29Å; A54-L82 HydrophobicContact CB-CG 4.37Å; A54-L82 WeakPolarHBondContact O-CD2 3.45Å
55N97.9Very high97.5Very high25 Ų2522.7 Ų22.713%0.13412%0.124CC..Hα-helixtrans-67.2-41.5-179.9-17673.4000112.5G15 C51 F52 M53 A58 N59 Y86G15-N55 PolarHBondContact O-ND2 2.63Å; C51-N55 VanDerWaalsContact O-CB 3.28Å; C51-N55 WeakPolarHBondContact O-CB 2.98Å; C51-N55 PolarHBondContact O-N 3.16Å; F52-N55 PolarHBondContact O-N 3.38Å; M53-N55 PolarHBondContact O-N 3.46Å; N55-A58 PolarHBondContact O-N 3.18Å; N55-N59 WeakPolarHBondContact O-CB 3.2Å; N55-N59 PolarHBondContact O-N 3.48Å; N55-N59 VanDerWaalsContact O-N 3.16Å; N55-N59 PolarHBondContact O-ND2 2.69Å; N55-N59 PolarHBondContact OD1-ND2 3.27Å; N55-Y86 VanDerWaalsContact CA-OH 3.28Å; N55-Y86 WeakPolarHBondContact CA-OH 3.29Å; N55-Y86 WeakPolarHBondContact CB-OH 3.45Å; N55-Y86 PolarHBondContact OD1-OH 3.33Å
56L98.1Very high97.6Very high1 Ų122.2 Ų22.21%0.00512%0.122CC..Hα-helixtrans-64.1-47.2177.8-174.4158.8000111.2Y14 F52 M53 N59 S60 V64 K131 A132Y14-L56 HydrophobicContact CD1-CD1 4.01Å; Y14-L56 HydrophobicContact CD1-CG 3.81Å; Y14-L56 HydrophobicContact CD2-CD1 3.92Å; Y14-L56 HydrophobicContact CE1-CD1 4.5Å; Y14-L56 HydrophobicContact CE1-CG 4.25Å; Y14-L56 HydrophobicContact CE2-CD1 4.41Å; Y14-L56 HydrophobicContact CG-CD1 3.69Å; Y14-L56 HydrophobicContact CG-CG 4.01Å; F52-L56 HydrophobicContact CE1-CD1 4.44Å; F52-L56 HydrophobicContact CE2-CD1 4.3Å; F52-L56 HydrophobicContact CZ-CD1 3.87Å; F52-L56 WeakPolarHBondContact O-CB 3.37Å; F52-L56 PolarHBondContact O-N 3.18Å; M53-L56 PolarHBondContact O-N 3.17Å; L56-N59 PolarHBondContact O-N 2.87Å; L56-S60 PolarHBondContact O-N 2.97Å; L56-S60 VanDerWaalsContact O-N 3.11Å; L56-S60 PolarHBondContact O-OG 3.33Å; L56-V64 HydrophobicContact CB-CG2 4.28Å; L56-V64 HydrophobicContact CD1-CG2 3.84Å; L56-V64 HydrophobicContact CD2-CG2 3.58Å; L56-V64 HydrophobicContact CG-CG2 4.1Å; L56-K131 HydrophobicContact CD1-CB 4.17Å; L56-K131 HydrophobicContact CD2-CB 4.43Å; L56-A132 HydrophobicContact CD1-CB 4Å
57I97.2Very high97.6Very high0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-69.5-35.3179.568.7-173.7000111.3M53 A54 N59 S60 V64 I78 L82 L97 R100M53-I57 WeakPolarHBondContact O-CG1 3.48Å; M53-I57 PolarHBondContact O-N 3.2Å; A54-I57 WeakPolarHBondContact O-CG1 3.38Å; I57-N59 VanDerWaalsContact C-N 3.32Å; I57-N59 PolarHBondContact O-N 2.93Å; I57-S60 VanDerWaalsContact O-O 3.12Å; I57-V64 HydrophobicContact CG2-CG2 4.3Å; I57-I78 HydrophobicContact CD1-CG2 3.86Å; I57-L82 HydrophobicContact CD1-CD1 4.11Å; I57-L82 HydrophobicContact CG1-CD2 4.26Å; I57-L97 HydrophobicContact CD1-CB 4.23Å; I57-L97 HydrophobicContact CG1-CB 4.42Å; I57-R100 VanDerWaalsContact CA-NH1 3.28Å; I57-R100 HydrophobicContact CG2-CB 4.02Å; I57-R100 PolarHBondContact O-NH1 2.86Å; I57-R100 PolarHBondContact O-NH2 2.9Å
58A96.6Very high97.6Very high28 Ų2818.3 Ų18.323%0.23110%0.1CC..Hα-helixtrans-64.6-34.1176.900000113.5A54 N55 L82 Y86A54-A58 VanDerWaalsContact O-CB 3.27Å; A54-A58 WeakPolarHBondContact O-CB 3.16Å; A54-A58 PolarHBondContact O-N 3.05Å; N55-A58 PolarHBondContact O-N 3.18Å; A58-L82 HydrophobicContact CB-CD2 3.76Å; A58-Y86 HydrophobicContact CB-CD1 4.14Å; A58-Y86 HydrophobicContact CB-CD2 3.77Å; A58-Y86 HydrophobicContact CB-CE1 3.9Å; A58-Y86 HydrophobicContact CB-CE2 3.49Å; A58-Y86 VanDerWaalsContact CB-CE2 3.49Å; A58-Y86 HydrophobicContact CB-CG 4.09Å
59N95.8Very high97.5Very high106 Ų10619.1 Ų19.157%0.56711%0.105SC*.Hα-helixtrans-114.710.7-167.6-61.7-77.1000114.7N55 L56 I57 Y86N55-N59 WeakPolarHBondContact O-CB 3.2Å; N55-N59 PolarHBondContact O-N 3.48Å; N55-N59 VanDerWaalsContact O-N 3.16Å; N55-N59 PolarHBondContact O-ND2 2.69Å; N55-N59 PolarHBondContact OD1-ND2 3.27Å; L56-N59 PolarHBondContact O-N 2.87Å; I57-N59 VanDerWaalsContact C-N 3.32Å; I57-N59 PolarHBondContact O-N 2.93Å; N59-Y86 VanDerWaalsContact ND2-CE1 3.34Å; N59-Y86 WeakPolarHBondContact ND2-CE1 3.49Å; N59-Y86 PolarHBondContact ND2-OH 2.89Å
60S94.7Very high97.3Very high28 Ų2822.7 Ų22.720%0.19613%0.127CC..SBendtrans-150.4168.5173.874.90000109.7L56 I57 G62 R100L56-S60 PolarHBondContact O-N 2.97Å; L56-S60 VanDerWaalsContact O-N 3.11Å; L56-S60 PolarHBondContact O-OG 3.33Å; I57-S60 VanDerWaalsContact O-O 3.12Å; S60-G62 PolarHBondContact O-N 3.07Å; S60-G62 PolarHBondContact OG-N 2.86Å; S60-G62 VanDerWaalsContact OG-N 3.14Å; S60-R100 VanDerWaalsContact O-CZ 3.27Å; S60-R100 PolarHBondContact O-NH1 2.85Å; S60-R100 PolarHBondContact O-NH2 2.94Å
61D94.3Very high97.1Very high129 Ų12925.5 Ų25.569%0.6916%0.157SC*.SBendtrans-81.7-0.7169.6-66.2-40.6000112.9R100 N129D61-R100 WeakPolarHBondContact O-CD 3.4Å; D61-N129 PolarHBondContact O-ND2 2.89Å
62G96.7Very high96.9Very high1 Ų126.7 Ų26.71%0.0117%0.165CC..  trans-66.9157-171.700000114.9S60 R100S60-G62 PolarHBondContact O-N 3.07Å; S60-G62 PolarHBondContact OG-N 2.86Å; S60-G62 VanDerWaalsContact OG-N 3.14Å; G62-R100 PolarHBondContact O-NH1 3.33Å
63R98.1Very high96.9Very high57 Ų5728.7 Ų28.722%0.21517%0.174CC..EExtended strand (participates in β ladder)trans-101.4150.2170.7-66.3169.364.4-1597.9111.2R100 V102 D125 N128 N129 L130 K131R63-R100 VanDerWaalsContact CA-O 3.29Å; R63-R100 WeakPolarHBondContact CA-O 3.21Å; R63-R100 HydrophobicContact CG-CB 4.04Å; R63-R100 HydrophobicContact CG-CG 4.19Å; R63-V102 VanDerWaalsContact NH2-CG2 3.26Å; R63-D125 PolarHBondContact NH1-O 2.87Å; R63-N128 VanDerWaalsContact CD-O 3.3Å; R63-N128 WeakPolarHBondContact CD-O 3.44Å; R63-N128 PolarHBondContact NH1-O 2.87Å; R63-N129 PolarHBondContact N-O 2.76Å; R63-L130 HydrophobicContact CB-CD1 4.42Å; R63-K131 PolarHBondContact O-N 3.36Å
64V98.6Very high96.8Very high0 Ų030.7 Ų30.70%019%0.188CC..EExtended strand (participates in β ladder)trans-121.7128.4171.9-175.20000108.3M53 L56 I57 R100 V102 A132 V134M53-V64 HydrophobicContact CB-CG1 4.48Å; M53-V64 HydrophobicContact CE-CB 4.12Å; M53-V64 HydrophobicContact CE-CG1 4.34Å; M53-V64 HydrophobicContact CG-CB 3.92Å; M53-V64 HydrophobicContact CG-CG1 3.96Å; M53-V64 HydrophobicContact CG-CG2 4.14Å; M53-V64 HydrophobicContact SD-CB 4.31Å; M53-V64 HydrophobicContact SD-CG1 4.01Å; L56-V64 HydrophobicContact CB-CG2 4.28Å; L56-V64 HydrophobicContact CD1-CG2 3.84Å; L56-V64 HydrophobicContact CD2-CG2 3.58Å; L56-V64 HydrophobicContact CG-CG2 4.1Å; I57-V64 HydrophobicContact CG2-CG2 4.3Å; V64-R100 PolarHBondContact N-O 2.64Å; V64-V102 PolarHBondContact O-N 3.28Å; V64-A132 WeakPolarHBondContact CA-O 3.35Å; V64-A132 HydrophobicContact CG1-CB 4.11Å; V64-A132 HydrophobicContact CG2-CB 4.33Å; V64-V134 HydrophobicContact CG1-CG2 4.06Å
65L98.6Very high96.8Very high0 Ų032.6 Ų32.60%020%0.204CC..EExtended strand (participates in β ladder)trans-92.7121.3168.8173.563.3000109.1V67 V102 E104 I115 I119 I126 L130 A132 V133 V134L65-V67 HydrophobicContact CD2-CG2 4.32Å; L65-V67 HydrophobicContact CG-CG2 4.16Å; L65-V102 CarbonylContact C-O 3.55Å; L65-V102 WeakPolarHBondContact CA-O 3.4Å; L65-V102 HydrophobicContact CD1-CB 4.05Å; L65-V102 HydrophobicContact CD1-CG1 3.73Å; L65-E104 HydrophobicContact CD1-CB 4.12Å; L65-E104 HydrophobicContact CD1-CG 3.64Å; L65-I115 HydrophobicContact CD2-CG2 4.25Å; L65-I119 HydrophobicContact CD2-CD1 3.6Å; L65-I119 HydrophobicContact CD2-CG1 4.02Å; L65-I126 HydrophobicContact CD2-CD1 3.99Å; L65-L130 HydrophobicContact CB-CD1 3.81Å; L65-A132 PolarHBondContact N-O 2.84Å; L65-V133 HydrophobicContact CB-CG2 4.42Å; L65-V133 HydrophobicContact CD2-CG1 4.34Å; L65-V133 HydrophobicContact CD2-CG2 4.44Å; L65-V133 CarbonylContact O-C 3.59Å; L65-V133 WeakPolarHBondContact O-CA 3.4Å; L65-V134 PolarHBondContact O-N 2.87Å
66F98.6Very high96.8Very high0 Ų038.4 Ų38.40%023%0.234CC..EExtended strand (participates in β ladder)trans-107.8114.2173.8-164.4-73.9000109C49 L50 M53 D68 F73 V102 E104 V134 D136C49-F66 HydrophobicContact CB-CE2 4.05Å; L50-F66 HydrophobicContact CD2-CE2 4.39Å; M53-F66 HydrophobicContact CE-CB 4.28Å; M53-F66 HydrophobicContact SD-CB 4.12Å; M53-F66 HydrophobicContact SD-CD2 3.89Å; M53-F66 HydrophobicContact SD-CG 4.44Å; F66-D68 HydrophobicContact CD1-CB 3.94Å; F66-D68 HydrophobicContact CE1-CB 3.85Å; F66-F73 HydrophobicContact CB-CD2 4Å; F66-F73 HydrophobicContact CB-CE2 4.29Å; F66-F73 HydrophobicContact CD1-CB 3.95Å; F66-F73 AromaticContact CD1-CD2 3.85Å; F66-F73 HydrophobicContact CD1-CD2 3.85Å; F66-F73 HydrophobicContact CD1-CG 4.29Å; F66-F73 HydrophobicContact CD2-CD2 4.13Å; F66-F73 HydrophobicContact CE1-CB 3.85Å; F66-F73 HydrophobicContact CE1-CD2 4.33Å; F66-F73 AromaticContact CG-CD2 3.73Å; F66-F73 HydrophobicContact CG-CD2 3.73Å; F66-F73 HydrophobicContact CG-CE2 4.43Å; F66-F73 HydrophobicContact CZ-CB 4.47Å; F66-V102 PolarHBondContact N-O 2.96Å; F66-E104 PolarHBondContact O-N 3.2Å; F66-V134 HydrophobicContact CD2-CB 3.84Å; F66-V134 HydrophobicContact CD2-CG1 3.71Å; F66-V134 HydrophobicContact CD2-CG2 4.49Å; F66-V134 HydrophobicContact CE2-CB 4.29Å; F66-V134 HydrophobicContact CE2-CG1 3.64Å; F66-V134 HydrophobicContact CG-CB 4.38Å; F66-V134 HydrophobicContact CG-CG1 4.46Å; F66-V134 HydrophobicContact CZ-CG1 4.32Å; F66-D136 HydrophobicContact CE1-CB 3.79Å; F66-D136 HydrophobicContact CE2-CB 4.27Å; F66-D136 HydrophobicContact CZ-CB 3.42Å; F66-D136 VanDerWaalsContact CZ-CB 3.42Å
67V98.5Very high96.8Very high0 Ų039.5 Ų39.50%024%0.238CC..EExtended strand (participates in β ladder)trans-95.4104.8173.7-175.30000108.2L65 E104 L112 I115 V134 V135 D136L65-V67 HydrophobicContact CD2-CG2 4.32Å; L65-V67 HydrophobicContact CG-CG2 4.16Å; V67-E104 CarbonylContact C-O 3.59Å; V67-E104 WeakPolarHBondContact CA-O 3.08Å; V67-E104 HydrophobicContact CG2-CB 4.48Å; V67-L112 HydrophobicContact CG1-CD1 4.04Å; V67-I115 HydrophobicContact CG1-CD1 3.8Å; V67-I115 HydrophobicContact CG2-CG2 3.9Å; V67-V134 PolarHBondContact N-O 2.84Å; V67-V135 HydrophobicContact CB-CB 4.47Å; V67-V135 HydrophobicContact CB-CG1 4.24Å; V67-V135 HydrophobicContact CB-CG2 4.21Å; V67-V135 HydrophobicContact CG1-CG1 4.33Å; V67-V135 HydrophobicContact CG2-CG2 4.45Å; V67-V135 WeakPolarHBondContact O-CA 3.36Å; V67-D136 PolarHBondContact O-N 2.79Å
68D98Very high96.8Very high2 Ų239.5 Ų39.51%0.01124%0.238CC..EExtended strand (participates in β ladder)trans-95.1125.2-176.7-1734.5000111.1F66 T70 G71 S72 F73 Y103 E104 K105 S106 D136F66-D68 HydrophobicContact CD1-CB 3.94Å; F66-D68 HydrophobicContact CE1-CB 3.85Å; D68-T70 PolarHBondContact OD1-N 3.28Å; D68-G71 WeakPolarHBondContact OD1-CA 3.35Å; D68-G71 PolarHBondContact OD1-N 3.1Å; D68-G71 VanDerWaalsContact OD2-C 3.29Å; D68-G71 WeakPolarHBondContact OD2-CA 3.44Å; D68-G71 PolarHBondContact OD2-N 3.35Å; D68-S72 PolarHBondContact OD1-N 2.77Å; D68-S72 VanDerWaalsContact OD1-N 3.09Å; D68-S72 PolarHBondContact OD2-N 3.21Å; D68-F73 HydrophobicContact CB-CB 4.24Å; D68-F73 PolarHBondContact OD2-N 3.48Å; D68-Y103 HydrophobicContact CB-CD2 4.27Å; D68-Y103 HydrophobicContact CB-CE2 3.42Å; D68-Y103 VanDerWaalsContact CB-CE2 3.42Å; D68-E104 PolarHBondContact N-O 3Å; D68-K105 WeakPolarHBondContact O-CA 3.41Å; D68-S106 PolarHBondContact O-N 3.03Å; D68-D136 WeakPolarHBondContact CA-O 3.36Å
69T96Very high96.9Very high18 Ų1838.8 Ų38.811%0.1123%0.232CC..SBendtrans-114.9-3.917781.20000112.9S106 V135 D136 H137 V141T69-S106 VanDerWaalsContact CA-O 3.29Å; T69-S106 WeakPolarHBondContact CA-O 3.42Å; T69-S106 WeakPolarHBondContact CB-O 3.45Å; T69-V135 HydrophobicContact CG2-CG1 4.43Å; T69-D136 PolarHBondContact N-O 2.81Å; T69-H137 PolarHBondContact OG1-N 2.79Å; T69-H137 PolarHBondContact OG1-O 2.82Å; T69-V141 HydrophobicContact CG2-CG1 3.81Å
70T93.5Very high97Very high77 Ų7737.9 Ų37.947%0.47222%0.224SC..SBendtrans-129.1-8.5-172.360.10000114D68 H137 T140D68-T70 PolarHBondContact OD1-N 3.28Å; T70-H137 HydrophobicContact CG2-CB 3.86Å; T70-T140 HydrophobicContact CG2-CG2 4.38Å; T70-T140 WeakPolarHBondContact CG2-OG1 3.31Å
71G94.2Very high97.1Very high61 Ų6136.6 Ų36.663%0.62922%0.215SC*.SBendtrans83.321.5-170.600000113D68D68-G71 WeakPolarHBondContact OD1-CA 3.35Å; D68-G71 PolarHBondContact OD1-N 3.1Å; D68-G71 VanDerWaalsContact OD2-C 3.29Å; D68-G71 WeakPolarHBondContact OD2-CA 3.44Å; D68-G71 PolarHBondContact OD2-N 3.35Å
72S94.3Very high97.3Very high27 Ų2730.4 Ų30.419%0.18918%0.182CC..  trans-81.8-15.2-175.168.40000113.5D68 D136D68-S72 PolarHBondContact OD1-N 2.77Å; D68-S72 VanDerWaalsContact OD1-N 3.09Å; D68-S72 PolarHBondContact OD2-N 3.21Å; S72-D136 WeakPolarHBondContact CB-OD2 3.39Å; S72-D136 PolarHBondContact OG-OD2 2.77Å
73F97.7Very high97.3Very high42 Ų4233.2 Ų33.218%0.18420%0.197CC..  trans-68.5133.9178.6-179.9-98000111.4L50 M53 F66 D68 A75 I78 Y103L50-F73 HydrophobicContact CD2-CD2 4.44Å; M53-F73 HydrophobicContact CE-CE2 3.83Å; M53-F73 HydrophobicContact SD-CE2 4.17Å; F66-F73 HydrophobicContact CB-CD2 4Å; F66-F73 HydrophobicContact CB-CE2 4.29Å; F66-F73 HydrophobicContact CD1-CB 3.95Å; F66-F73 AromaticContact CD1-CD2 3.85Å; F66-F73 HydrophobicContact CD1-CD2 3.85Å; F66-F73 HydrophobicContact CD1-CG 4.29Å; F66-F73 HydrophobicContact CD2-CD2 4.13Å; F66-F73 HydrophobicContact CE1-CB 3.85Å; F66-F73 HydrophobicContact CE1-CD2 4.33Å; F66-F73 AromaticContact CG-CD2 3.73Å; F66-F73 HydrophobicContact CG-CD2 3.73Å; F66-F73 HydrophobicContact CG-CE2 4.43Å; F66-F73 HydrophobicContact CZ-CB 4.47Å; D68-F73 HydrophobicContact CB-CB 4.24Å; D68-F73 PolarHBondContact OD2-N 3.48Å; F73-A75 HydrophobicContact CE1-CB 4.07Å; F73-A75 HydrophobicContact CZ-CB 4.32Å; F73-I78 HydrophobicContact CE2-CD1 3.68Å; F73-I78 HydrophobicContact CZ-CD1 4.08Å; F73-Y103 HydrophobicContact CB-CD2 3.8Å; F73-Y103 HydrophobicContact CB-CE2 3.66Å; F73-Y103 AromaticContact CD1-CD2 3.46Å; F73-Y103 HydrophobicContact CD1-CD2 3.46Å; F73-Y103 VanDerWaalsContact CD1-CD2 3.46Å; F73-Y103 AromaticContact CD1-CE2 3.89Å; F73-Y103 HydrophobicContact CD1-CE2 3.89Å; F73-Y103 HydrophobicContact CD1-CG 4.22Å; F73-Y103 HydrophobicContact CD2-CD2 4.14Å; F73-Y103 HydrophobicContact CE1-CD2 4.03Å; F73-Y103 HydrophobicContact CE1-CG 4.4Å; F73-Y103 AromaticContact CG-CD2 3.52Å; F73-Y103 HydrophobicContact CG-CD2 3.52Å; F73-Y103 AromaticContact CG-CE2 3.89Å; F73-Y103 HydrophobicContact CG-CE2 3.89Å
74S97.7Very high97.2Very high43 Ų4332.5 Ų32.530%0.30120%0.203SC..  trans-143.4107.1174.6175.50000111.4L76 R77 I78S74-L76 PolarHBondContact O-N 3.16Å; S74-R77 PolarHBondContact O-N 3.05Å; S74-R77 WeakPolarHBondContact OG-CB 3.49Å; S74-R77 PolarHBondContact OG-N 3.13Å; S74-R77 VanDerWaalsContact OG-N 3.08Å; S74-I78 PolarHBondContact O-N 2.69Å; S74-I78 VanDerWaalsContact O-N 3.08Å
75A97.4Very high97.1Very high40 Ų4035 Ų3533%0.33121%0.213SC..Hα-helixtrans-62-33.7173.200000112F73 R77 I78 A79 L98F73-A75 HydrophobicContact CE1-CB 4.07Å; F73-A75 HydrophobicContact CZ-CB 4.32Å; A75-R77 VanDerWaalsContact C-N 3.35Å; A75-I78 PolarHBondContact O-N 3.09Å; A75-A79 WeakPolarHBondContact O-CB 3.18Å; A75-A79 PolarHBondContact O-N 2.9Å; A75-L98 HydrophobicContact CB-CD1 4.45Å; A75-L98 HydrophobicContact CB-CD2 4.47Å
76L97.4Very high96.8Very high147 Ų14736.5 Ų36.577%0.7722%0.219SC*.Hα-helixtrans-62.6-42.5174.1-69.5175.4000111.3S74 A79 E80S74-L76 PolarHBondContact O-N 3.16Å; L76-A79 WeakPolarHBondContact O-CB 3.49Å; L76-A79 PolarHBondContact O-N 3.27Å; L76-E80 WeakPolarHBondContact O-CB 3.22Å; L76-E80 PolarHBondContact O-N 2.9Å
77R98.2Very high96.2Very high24 Ų2442.4 Ų42.49%0.09126%0.261CS..Hα-helixtrans-66.3-39.2177.2-177.755.9-179.8140.26.7112L50 S74 A75 E80 I81 G236 A237L50-R77 HydrophobicContact CD1-CB 4.1Å; L50-R77 HydrophobicContact CD1-CG 3.73Å; S74-R77 PolarHBondContact O-N 3.05Å; S74-R77 WeakPolarHBondContact OG-CB 3.49Å; S74-R77 PolarHBondContact OG-N 3.13Å; S74-R77 VanDerWaalsContact OG-N 3.08Å; A75-R77 VanDerWaalsContact C-N 3.35Å; R77-E80 VanDerWaalsContact CD-OE2 3.25Å; R77-E80 WeakPolarHBondContact CD-OE2 3.43Å; R77-E80 IonicContact CZ-OE2 2.9Å; R77-E80 IonicContact NE-OE2 3.56Å; R77-E80 IonicContact NH1-OE1 3.83Å; R77-E80 IonicContact NH1-OE2 2.75Å; R77-E80 PolarHBondContact NH1-OE2 2.94Å; R77-E80 PolarHBondContact O-N 3Å; R77-I81 HydrophobicContact CG-CD1 4.24Å; R77-I81 VanDerWaalsContact O-CG1 3.29Å; R77-I81 WeakPolarHBondContact O-CG1 3.46Å; R77-I81 PolarHBondContact O-N 3.15Å; R77-I81 VanDerWaalsContact O-N 3.07Å; R77-G236 PolarHBondContact NH1-O 2.87Å; R77-G236 PolarHBondContact NH2-O 2.96Å; R77-A237 PolarHBondContact NH1-O 2.87Å; R77-A237 VanDerWaalsContact NH1-O 3.13Å
78I98.2Very high95.6Very high0 Ų047.9 Ų47.90%029%0.294CS..Hα-helixtrans-62-46.5173.5-65169.1000110.2L50 M53 A54 I57 F73 S74 A75 E80 I81 L82 L98L50-I78 HydrophobicContact CB-CG1 4.5Å; L50-I78 HydrophobicContact CD2-CD1 4.08Å; L50-I78 HydrophobicContact CD2-CG1 3.97Å; M53-I78 HydrophobicContact CE-CD1 4.06Å; M53-I78 HydrophobicContact CG-CD1 4.18Å; M53-I78 HydrophobicContact SD-CD1 3.88Å; A54-I78 HydrophobicContact CB-CG2 4.08Å; I57-I78 HydrophobicContact CD1-CG2 3.86Å; F73-I78 HydrophobicContact CE2-CD1 3.68Å; F73-I78 HydrophobicContact CZ-CD1 4.08Å; S74-I78 PolarHBondContact O-N 2.69Å; S74-I78 VanDerWaalsContact O-N 3.08Å; A75-I78 PolarHBondContact O-N 3.09Å; I78-E80 VanDerWaalsContact C-N 3.35Å; I78-E80 PolarHBondContact O-N 3.22Å; I78-I81 PolarHBondContact O-N 3.47Å; I78-L82 HydrophobicContact CG2-CD1 3.96Å; I78-L82 HydrophobicContact CG2-CG 4.3Å; I78-L82 VanDerWaalsContact O-CG 3.26Å; I78-L82 WeakPolarHBondContact O-CG 3.16Å; I78-L82 PolarHBondContact O-N 3.27Å; I78-L98 HydrophobicContact CB-CD2 3.94Å; I78-L98 HydrophobicContact CG2-CD2 3.58Å
79A97.6Very high95.2Very high12 Ų1248.7 Ų48.710%0.09930%0.299CS..Hα-helixtrans-58.9-44.1177.100000112.6A75 L76 L82 L83 V94 L98A75-A79 WeakPolarHBondContact O-CB 3.18Å; A75-A79 PolarHBondContact O-N 2.9Å; L76-A79 WeakPolarHBondContact O-CB 3.49Å; L76-A79 PolarHBondContact O-N 3.27Å; A79-L82 PolarHBondContact O-N 2.85Å; A79-L83 WeakPolarHBondContact O-CD1 3.45Å; A79-L83 VanDerWaalsContact O-CG 3.29Å; A79-L83 WeakPolarHBondContact O-CG 3.48Å; A79-L83 PolarHBondContact O-N 3.01Å; A79-V94 HydrophobicContact CB-CG1 3.61Å; A79-L98 HydrophobicContact CB-CD1 4.42Å
80E97.5Very high94.9Very high87 Ų8752.7 Ų52.741%0.40732%0.317SS..Hα-helixtrans-58.4-48.9175.9-173.6-167.8-174.600111.5L76 R77 I78 L82 L83 A84L76-E80 WeakPolarHBondContact O-CB 3.22Å; L76-E80 PolarHBondContact O-N 2.9Å; R77-E80 VanDerWaalsContact CD-OE2 3.25Å; R77-E80 WeakPolarHBondContact CD-OE2 3.43Å; R77-E80 IonicContact CZ-OE2 2.9Å; R77-E80 IonicContact NE-OE2 3.56Å; R77-E80 IonicContact NH1-OE1 3.83Å; R77-E80 IonicContact NH1-OE2 2.75Å; R77-E80 PolarHBondContact NH1-OE2 2.94Å; R77-E80 PolarHBondContact O-N 3Å; I78-E80 VanDerWaalsContact C-N 3.35Å; I78-E80 PolarHBondContact O-N 3.22Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.23Å; E80-L83 PolarHBondContact O-N 3.02Å; E80-A84 WeakPolarHBondContact O-CB 3.29Å; E80-A84 PolarHBondContact O-N 3.03Å
81I98Very high94.7Very high1 Ų155.5 Ų55.51%0.00533%0.326CS..Hα-helixtrans-59.3-46.3176.9-65.9163.8000110.4L50 A54 R77 I78 L83 A84 K85 A237L50-I81 HydrophobicContact CB-CD1 4.42Å; A54-I81 HydrophobicContact CB-CB 4.08Å; A54-I81 HydrophobicContact CB-CG2 3.66Å; R77-I81 HydrophobicContact CG-CD1 4.24Å; R77-I81 VanDerWaalsContact O-CG1 3.29Å; R77-I81 WeakPolarHBondContact O-CG1 3.46Å; R77-I81 PolarHBondContact O-N 3.15Å; R77-I81 VanDerWaalsContact O-N 3.07Å; I78-I81 PolarHBondContact O-N 3.47Å; I81-L83 PolarHBondContact O-N 3.24Å; I81-A84 PolarHBondContact O-N 3.3Å; I81-K85 HydrophobicContact CG2-CD 4.49Å; I81-K85 WeakPolarHBondContact O-CB 3.38Å; I81-K85 PolarHBondContact O-N 2.87Å; I81-A237 WeakPolarHBondContact CA-O 3.29Å
82L97.7Very high94.5Very high0 Ų059.8 Ų59.80%033%0.327CS..Hα-helixtrans-57.7-49.8-179.4-73.7171.9000111.7A54 I57 A58 I78 A79 E80 Y86 V89 V94 L97A54-L82 HydrophobicContact CB-CD2 4.29Å; A54-L82 HydrophobicContact CB-CG 4.37Å; A54-L82 WeakPolarHBondContact O-CD2 3.45Å; I57-L82 HydrophobicContact CD1-CD1 4.11Å; I57-L82 HydrophobicContact CG1-CD2 4.26Å; A58-L82 HydrophobicContact CB-CD2 3.76Å; I78-L82 HydrophobicContact CG2-CD1 3.96Å; I78-L82 HydrophobicContact CG2-CG 4.3Å; I78-L82 VanDerWaalsContact O-CG 3.26Å; I78-L82 WeakPolarHBondContact O-CG 3.16Å; I78-L82 PolarHBondContact O-N 3.27Å; A79-L82 PolarHBondContact O-N 2.85Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.23Å; L82-Y86 HydrophobicContact CD2-CD2 4.15Å; L82-Y86 HydrophobicContact CD2-CE2 4.22Å; L82-Y86 WeakPolarHBondContact O-CB 3.3Å; L82-Y86 WeakPolarHBondContact O-CD2 3.21Å; L82-Y86 PolarHBondContact O-N 2.96Å; L82-V89 HydrophobicContact CB-CG1 4.45Å; L82-V94 HydrophobicContact CD1-CG1 4.34Å; L82-L97 HydrophobicContact CD1-CB 4.01Å; L82-L97 HydrophobicContact CD1-CD1 3.89Å; L82-L97 HydrophobicContact CD2-CD1 4.01Å; L82-L97 HydrophobicContact CG-CD1 4.47Å
83L97Very high94.5Very high60 Ų6062.2 Ų62.231%0.31434%0.336SS..Hα-helixtrans-69.7-38.9-178-68.7163.8000112.8A79 E80 I81 M91 V94A79-L83 WeakPolarHBondContact O-CD1 3.45Å; A79-L83 VanDerWaalsContact O-CG 3.29Å; A79-L83 WeakPolarHBondContact O-CG 3.48Å; A79-L83 PolarHBondContact O-N 3.01Å; E80-L83 PolarHBondContact O-N 3.02Å; I81-L83 PolarHBondContact O-N 3.24Å; L83-M91 HydrophobicContact CD1-CE 3.45Å; L83-M91 VanDerWaalsContact CD1-CE 3.45Å; L83-M91 HydrophobicContact CD1-CG 4.05Å; L83-M91 HydrophobicContact CD1-SD 3.54Å; L83-M91 VanDerWaalsContact CD1-SD 3.54Å; L83-M91 HydrophobicContact CD2-CB 4.47Å; L83-M91 HydrophobicContact CD2-CG 3.93Å; L83-M91 HydrophobicContact CD2-SD 4.13Å; L83-M91 HydrophobicContact CG-SD 4.39Å; L83-V94 HydrophobicContact CD1-CG2 4.36Å; L83-V94 HydrophobicContact CD2-CG2 3.7Å; L83-V94 HydrophobicContact CG-CG2 3.87Å
84A96.4Very high94.4Very high42 Ų4260.5 Ų60.535%0.34733%0.329SS..Hα-helixtrans-76.6-33.1-176.900000112.2E80 I81 A237 Q238E80-A84 WeakPolarHBondContact O-CB 3.29Å; E80-A84 PolarHBondContact O-N 3.03Å; I81-A84 PolarHBondContact O-N 3.3Å; A84-A237 HydrophobicContact CB-CB 3.94Å; A84-Q238 HydrophobicContact CB-CB 4.44Å; A84-Q238 HydrophobicContact CB-CG 3.84Å; A84-Q238 WeakPolarHBondContact O-CG 3.48Å
85K95.8Very high94.2Very high51 Ų5160.1 Ų60.122%0.22233%0.331CS..Hα-helixtrans-93.5-37.1-173.4-169.3175.8-165.2137.50113.8G17 I81 Q238G17-K85 VanDerWaalsContact C-NZ 3.27Å; G17-K85 WeakPolarHBondContact O-CE 3.21Å; G17-K85 PolarHBondContact O-NZ 2.9Å; I81-K85 HydrophobicContact CG2-CD 4.49Å; I81-K85 WeakPolarHBondContact O-CB 3.38Å; I81-K85 PolarHBondContact O-N 2.87Å; K85-Q238 HydrophobicContact CB-CB 4.11Å; K85-Q238 HydrophobicContact CG-CB 4.47Å
86Y93.7Very high94.1Very high32 Ų3262.2 Ų62.213%0.12534%0.337CS..  trans-110.199.3-174.8-55.9-82.5000109.8N55 A58 N59 L82 V88 V89N55-Y86 VanDerWaalsContact CA-OH 3.28Å; N55-Y86 WeakPolarHBondContact CA-OH 3.29Å; N55-Y86 WeakPolarHBondContact CB-OH 3.45Å; N55-Y86 PolarHBondContact OD1-OH 3.33Å; A58-Y86 HydrophobicContact CB-CD1 4.14Å; A58-Y86 HydrophobicContact CB-CD2 3.77Å; A58-Y86 HydrophobicContact CB-CE1 3.9Å; A58-Y86 HydrophobicContact CB-CE2 3.49Å; A58-Y86 VanDerWaalsContact CB-CE2 3.49Å; A58-Y86 HydrophobicContact CB-CG 4.09Å; N59-Y86 VanDerWaalsContact ND2-CE1 3.34Å; N59-Y86 WeakPolarHBondContact ND2-CE1 3.49Å; N59-Y86 PolarHBondContact ND2-OH 2.89Å; L82-Y86 HydrophobicContact CD2-CD2 4.15Å; L82-Y86 HydrophobicContact CD2-CE2 4.22Å; L82-Y86 WeakPolarHBondContact O-CB 3.3Å; L82-Y86 WeakPolarHBondContact O-CD2 3.21Å; L82-Y86 PolarHBondContact O-N 2.96Å; Y86-V88 PolarHBondContact O-N 3.11Å; Y86-V89 HydrophobicContact CG-CG2 4.46Å; Y86-V89 PolarHBondContact O-N 3.38Å
87S85Confident94.1Very high124 Ų12456.2 Ų56.287%0.86731%0.306SS*.THydrogen-bonded Turntrans-59-18.6-179.460.20000114.4
88V87.3Confident94.1Very high116 Ų11657.1 Ų57.170%0.70331%0.312SS*.THydrogen-bonded Turntrans-85.1-16.1178.6-61.90000113.4Y86 E90Y86-V88 PolarHBondContact O-N 3.11Å; V88-E90 PolarHBondContact O-N 2.93Å
89V87.8Confident94Very high19 Ų1965.2 Ų65.212%0.11534%0.342CS..  trans-86.9111.2-178.4176.20000108.9L82 Y86 V94 L97L82-V89 HydrophobicContact CB-CG1 4.45Å; Y86-V89 HydrophobicContact CG-CG2 4.46Å; Y86-V89 PolarHBondContact O-N 3.38Å; V89-V94 HydrophobicContact CG1-CG2 3.8Å; V89-L97 HydrophobicContact CG1-CD1 3.74Å; V89-L97 HydrophobicContact CG2-CD1 3.99Å
90E90.2Very high93.9Very high102 Ų10266.7 Ų66.748%0.47735%0.346SS..  trans-85.5156.7172.9-68.1-175.2-171.600111.6V88 K92 E93 V94V88-E90 PolarHBondContact O-N 2.93Å; E90-K92 HydrophobicContact CB-CG 4.15Å; E90-K92 PolarHBondContact O-N 2.83Å; E90-K92 IonicContact OE1-NZ 3.16Å; E90-K92 WeakPolarHBondContact OE2-CD 3.22Å; E90-K92 WeakPolarHBondContact OE2-CE 3.45Å; E90-K92 IonicContact OE2-NZ 3.89Å; E90-K92 PolarHBondContact OE2-NZ 3.47Å; E90-E93 HydrophobicContact CB-CG 4.48Å; E90-E93 PolarHBondContact N-OE2 3.4Å; E90-E93 WeakPolarHBondContact O-CB 3.45Å; E90-E93 PolarHBondContact O-N 2.9Å; E90-V94 PolarHBondContact O-N 2.95Å
91M88.9Confident93.9Very high135 Ų13563.3 Ų63.367%0.66533%0.333SS*.Hα-helixtrans-53.3-34.5178.8-107.9-54.5-158.500113.8L83 E93 V94L83-M91 HydrophobicContact CD1-CE 3.45Å; L83-M91 VanDerWaalsContact CD1-CE 3.45Å; L83-M91 HydrophobicContact CD1-CG 4.05Å; L83-M91 HydrophobicContact CD1-SD 3.54Å; L83-M91 VanDerWaalsContact CD1-SD 3.54Å; L83-M91 HydrophobicContact CD2-CB 4.47Å; L83-M91 HydrophobicContact CD2-CG 3.93Å; L83-M91 HydrophobicContact CD2-SD 4.13Å; L83-M91 HydrophobicContact CG-SD 4.39Å; M91-E93 PolarHBondContact O-N 2.9Å; M91-V94 HydrophobicContact SD-CG2 4.25Å
92K91.5Very high93.9Very high152 Ų15264.5 Ų64.566%0.66134%0.34SS*.Hα-helixtrans-66.6-22.8177.773.4-167-171.7-153.20113.4E90E90-K92 HydrophobicContact CB-CG 4.15Å; E90-K92 PolarHBondContact O-N 2.83Å; E90-K92 IonicContact OE1-NZ 3.16Å; E90-K92 WeakPolarHBondContact OE2-CD 3.22Å; E90-K92 WeakPolarHBondContact OE2-CE 3.45Å; E90-K92 IonicContact OE2-NZ 3.89Å; E90-K92 PolarHBondContact OE2-NZ 3.47Å
93E92.6Very high93.9Very high78 Ų7869 Ų6936%0.36436%0.358SS..Hα-helixtrans-93.8-24.9-176.7-59.8176.5131.700112.5E90 M91 G95 N96 L97E90-E93 HydrophobicContact CB-CG 4.48Å; E90-E93 PolarHBondContact N-OE2 3.4Å; E90-E93 WeakPolarHBondContact O-CB 3.45Å; E90-E93 PolarHBondContact O-N 2.9Å; M91-E93 PolarHBondContact O-N 2.9Å; E93-G95 PolarHBondContact O-N 3.44Å; E93-N96 WeakPolarHBondContact O-CA 3.39Å; E93-N96 WeakPolarHBondContact O-CB 3.38Å; E93-N96 PolarHBondContact O-N 2.89Å; E93-L97 PolarHBondContact O-N 2.9Å
94V95.8Very high93.9Very high6 Ų670 Ų704%0.03636%0.36CS..Hα-helixtrans-52.2-41.4178.9175.20000111.5A79 L82 L83 V89 E90 M91 N96 L97 L98A79-V94 HydrophobicContact CB-CG1 3.61Å; L82-V94 HydrophobicContact CD1-CG1 4.34Å; L83-V94 HydrophobicContact CD1-CG2 4.36Å; L83-V94 HydrophobicContact CD2-CG2 3.7Å; L83-V94 HydrophobicContact CG-CG2 3.87Å; V89-V94 HydrophobicContact CG1-CG2 3.8Å; E90-V94 PolarHBondContact O-N 2.95Å; M91-V94 HydrophobicContact SD-CG2 4.25Å; V94-N96 VanDerWaalsContact C-N 3.25Å; V94-N96 PolarHBondContact O-N 3.48Å; V94-L97 PolarHBondContact O-N 3.45Å; V94-L97 VanDerWaalsContact O-N 3.16Å; V94-L98 HydrophobicContact CG1-CD1 3.84Å; V94-L98 HydrophobicContact CG1-CG 4.03Å; V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 WeakPolarHBondContact O-CG 3.37Å; V94-L98 PolarHBondContact O-N 2.95Å
95G95.1Very high94Very high35 Ų3573.5 Ų73.536%0.36137%0.368SS..Hα-helixtrans-60.1-33.2177.100000113.6E93 R99E93-G95 PolarHBondContact O-N 3.44Å; G95-R99 WeakPolarHBondContact O-CG 3.36Å; G95-R99 PolarHBondContact O-N 3.47Å; G95-R99 PolarHBondContact O-NH1 2.93Å
96N95.1Very high94Very high84 Ų8471.1 Ų71.145%0.44936%0.357SS..Hα-helixtrans-73.5-39.6176.4-60.8-14.7000111.4E93 V94 R99E93-N96 WeakPolarHBondContact O-CA 3.39Å; E93-N96 WeakPolarHBondContact O-CB 3.38Å; E93-N96 PolarHBondContact O-N 2.89Å; V94-N96 VanDerWaalsContact C-N 3.25Å; V94-N96 PolarHBondContact O-N 3.48Å; N96-R99 VanDerWaalsContact CG-NH2 3.3Å; N96-R99 PolarHBondContact O-N 3.37Å; N96-R99 PolarHBondContact OD1-NH1 3.21Å; N96-R99 PolarHBondContact OD1-NH2 3.23Å
97L97Very high94.1Very high21 Ų2174.1 Ų74.111%0.1138%0.376CS..Hα-helixtrans-64.5-45.6175.1-61.4177.7000111.1I57 L82 V89 E93 V94 R99 R100I57-L97 HydrophobicContact CD1-CB 4.23Å; I57-L97 HydrophobicContact CG1-CB 4.42Å; L82-L97 HydrophobicContact CD1-CB 4.01Å; L82-L97 HydrophobicContact CD1-CD1 3.89Å; L82-L97 HydrophobicContact CD2-CD1 4.01Å; L82-L97 HydrophobicContact CG-CD1 4.47Å; V89-L97 HydrophobicContact CG1-CD1 3.74Å; V89-L97 HydrophobicContact CG2-CD1 3.99Å; E93-L97 PolarHBondContact O-N 2.9Å; V94-L97 PolarHBondContact O-N 3.45Å; V94-L97 VanDerWaalsContact O-N 3.16Å; L97-R99 PolarHBondContact O-N 3.04Å; L97-R100 WeakPolarHBondContact O-CB 3.46Å; L97-R100 PolarHBondContact O-N 3.39Å
98L97.2Very high94.5Very high43 Ų4371.4 Ų71.423%0.22535%0.352CS..Hα-helixtrans-64.1-22.5178.4-70.8179.7000113.2A75 I78 A79 V94 R100 A101A75-L98 HydrophobicContact CB-CD1 4.45Å; A75-L98 HydrophobicContact CB-CD2 4.47Å; I78-L98 HydrophobicContact CB-CD2 3.94Å; I78-L98 HydrophobicContact CG2-CD2 3.58Å; A79-L98 HydrophobicContact CB-CD1 4.42Å; V94-L98 HydrophobicContact CG1-CD1 3.84Å; V94-L98 HydrophobicContact CG1-CG 4.03Å; V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 WeakPolarHBondContact O-CG 3.37Å; V94-L98 PolarHBondContact O-N 2.95Å; L98-R100 PolarHBondContact O-N 3.32Å; L98-A101 VanDerWaalsContact O-CB 3.24Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.16Å
99R96.1Very high94.8Very high169 Ų16968.5 Ų68.564%0.63833%0.328SS*.THydrogen-bonded Turntrans-66.3-16.8170.8-73.7-167.7-60.2-85.711.9113.4G95 N96 L97 A101G95-R99 WeakPolarHBondContact O-CG 3.36Å; G95-R99 PolarHBondContact O-N 3.47Å; G95-R99 PolarHBondContact O-NH1 2.93Å; N96-R99 VanDerWaalsContact CG-NH2 3.3Å; N96-R99 PolarHBondContact O-N 3.37Å; N96-R99 PolarHBondContact OD1-NH1 3.21Å; N96-R99 PolarHBondContact OD1-NH2 3.23Å; L97-R99 PolarHBondContact O-N 3.04Å; R99-A101 VanDerWaalsContact C-N 3.35Å
100R97.2Very high95.1Very high44 Ų4476 Ų7617%0.16635%0.354CS..THydrogen-bonded Turntrans-89.2-7.1174.2-60.3-172.9-75.9129.4-22112.9I57 S60 D61 G62 R63 V64 L97 L98 V102I57-R100 VanDerWaalsContact CA-NH1 3.28Å; I57-R100 HydrophobicContact CG2-CB 4.02Å; I57-R100 PolarHBondContact O-NH1 2.86Å; I57-R100 PolarHBondContact O-NH2 2.9Å; S60-R100 VanDerWaalsContact O-CZ 3.27Å; S60-R100 PolarHBondContact O-NH1 2.85Å; S60-R100 PolarHBondContact O-NH2 2.94Å; D61-R100 WeakPolarHBondContact O-CD 3.4Å; G62-R100 PolarHBondContact O-NH1 3.33Å; R63-R100 VanDerWaalsContact CA-O 3.29Å; R63-R100 WeakPolarHBondContact CA-O 3.21Å; R63-R100 HydrophobicContact CG-CB 4.04Å; R63-R100 HydrophobicContact CG-CG 4.19Å; V64-R100 PolarHBondContact N-O 2.64Å; L97-R100 WeakPolarHBondContact O-CB 3.46Å; L97-R100 PolarHBondContact O-N 3.39Å; L98-R100 PolarHBondContact O-N 3.32Å; R100-V102 PolarHBondContact O-N 2.86Å
101A97.1Very high95.4Very high16 Ų1674 Ų7413%0.13235%0.345CS..EExtended strand (participates in β ladder)trans-86.194.5167.200000110.2M53 L98 R99M53-A101 HydrophobicContact CE-CB 3.09Å; L98-A101 VanDerWaalsContact O-CB 3.24Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.16Å; R99-A101 VanDerWaalsContact C-N 3.35Å
102V97.1Very high95.8Very high26 Ų2667.5 Ų67.516%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-85.6130.2177-171.40000108.5R63 V64 L65 F66 R100R63-V102 VanDerWaalsContact NH2-CG2 3.26Å; V64-V102 PolarHBondContact O-N 3.28Å; L65-V102 CarbonylContact C-O 3.55Å; L65-V102 WeakPolarHBondContact CA-O 3.4Å; L65-V102 HydrophobicContact CD1-CB 4.05Å; L65-V102 HydrophobicContact CD1-CG1 3.73Å; F66-V102 PolarHBondContact N-O 2.96Å; R100-V102 PolarHBondContact O-N 2.86Å
103Y97.8Very high96Very high95 Ų9561 Ų6137%0.37329%0.285SS..EExtended strand (participates in β ladder)trans-115.1131.9-178.5171-94.4000110.1D68 F73 K105D68-Y103 HydrophobicContact CB-CD2 4.27Å; D68-Y103 HydrophobicContact CB-CE2 3.42Å; D68-Y103 VanDerWaalsContact CB-CE2 3.42Å; F73-Y103 HydrophobicContact CB-CD2 3.8Å; F73-Y103 HydrophobicContact CB-CE2 3.66Å; F73-Y103 AromaticContact CD1-CD2 3.46Å; F73-Y103 HydrophobicContact CD1-CD2 3.46Å; F73-Y103 VanDerWaalsContact CD1-CD2 3.46Å; F73-Y103 AromaticContact CD1-CE2 3.89Å; F73-Y103 HydrophobicContact CD1-CE2 3.89Å; F73-Y103 HydrophobicContact CD1-CG 4.22Å; F73-Y103 HydrophobicContact CD2-CD2 4.14Å; F73-Y103 HydrophobicContact CE1-CD2 4.03Å; F73-Y103 HydrophobicContact CE1-CG 4.4Å; F73-Y103 AromaticContact CG-CD2 3.52Å; F73-Y103 HydrophobicContact CG-CD2 3.52Å; F73-Y103 AromaticContact CG-CE2 3.89Å; F73-Y103 HydrophobicContact CG-CE2 3.89Å; Y103-K105 HydrophobicContact CE1-CB 4.19Å
104E97.8Very high96.3Very high79 Ų7961.5 Ų61.537%0.36929%0.288SS..EExtended strand (participates in β ladder)trans-131.2144.1169.6-73.9-66.3169.500109.4L65 F66 V67 D68 I115L65-E104 HydrophobicContact CD1-CB 4.12Å; L65-E104 HydrophobicContact CD1-CG 3.64Å; F66-E104 PolarHBondContact O-N 3.2Å; V67-E104 CarbonylContact C-O 3.59Å; V67-E104 WeakPolarHBondContact CA-O 3.08Å; V67-E104 HydrophobicContact CG2-CB 4.48Å; D68-E104 PolarHBondContact N-O 3Å; E104-I115 HydrophobicContact CB-CD1 3.93Å; E104-I115 HydrophobicContact CB-CG1 4.48Å
105K97.4Very high96.4Very high117 Ų11761.9 Ų61.951%0.50929%0.289SS..EExtended strand (participates in β ladder)trans-105.1137.5176.4-173.3177.4-179.3-175.30110.1D68 Y103 N107D68-K105 WeakPolarHBondContact O-CA 3.41Å; Y103-K105 HydrophobicContact CE1-CB 4.19Å; K105-N107 VanDerWaalsContact CE-OD1 3.23Å; K105-N107 WeakPolarHBondContact CE-OD1 3.33Å
106S96.9Very high96.5Very high0 Ų060.2 Ų60.20%027%0.272CS..  trans-132.7119.8173.7177.50000111.5D68 T69 D108 L112D68-S106 PolarHBondContact O-N 3.03Å; T69-S106 VanDerWaalsContact CA-O 3.29Å; T69-S106 WeakPolarHBondContact CA-O 3.42Å; T69-S106 WeakPolarHBondContact CB-O 3.45Å; S106-D108 PolarHBondContact OG-O 3.46Å; S106-L112 WeakPolarHBondContact OG-CA 3.25Å; S106-L112 PolarHBondContact OG-N 2.92Å
107N95.1Very high96.6Very high95 Ų9560.4 Ų60.451%0.50827%0.273SS..SBendtrans-91.8-21.3-178.7-56.4-76.2000113.3K105 Q111K105-N107 VanDerWaalsContact CE-OD1 3.23Å; K105-N107 WeakPolarHBondContact CE-OD1 3.33Å; N107-Q111 PolarHBondContact ND2-OE1 2.88Å
108D93.9Very high96.6Very high68 Ų6861.3 Ų61.336%0.36428%0.281SS..SBendtrans-148.9176.9-1786447.6000111.5S106 R110 Q111 L112S106-D108 PolarHBondContact OG-O 3.46Å; D108-R110 VanDerWaalsContact C-N 3.29Å; D108-R110 PolarHBondContact O-N 2.85Å; D108-R110 WeakPolarHBondContact OD1-CA 3.26Å; D108-R110 VanDerWaalsContact OD1-CB 3.31Å; D108-R110 WeakPolarHBondContact OD1-CB 3.37Å; D108-R110 PolarHBondContact OD1-N 2.89Å; D108-Q111 PolarHBondContact OD1-N 3.39Å; D108-L112 PolarHBondContact O-N 3.15Å
109R93.9Very high96.7Very high55 Ų5559.2 Ų59.221%0.20827%0.27CS..Hα-helixtrans-62.4-35.1179.7-176.2-173.865.183.7-3.4112.7L112 D113 L142 T145R109-L112 PolarHBondContact O-N 3.13Å; R109-D113 IonicContact CZ-OD2 3.71Å; R109-D113 IonicContact NH1-OD2 2.65Å; R109-D113 PolarHBondContact NH1-OD2 2.92Å; R109-D113 WeakPolarHBondContact O-CB 3.19Å; R109-D113 PolarHBondContact O-N 3.45Å; R109-L142 HydrophobicContact CB-CD2 4.39Å; R109-L142 HydrophobicContact CG-CD2 3.84Å; R109-T145 HydrophobicContact CB-CG2 4.49Å
110R94.1Very high96.7Very high175 Ų17552.9 Ų52.966%0.6625%0.251SS*.Hα-helixtrans-67.9-44.1-176.9179.1-175.1171.41633.7110.3D108 L112 D113 E114D108-R110 VanDerWaalsContact C-N 3.29Å; D108-R110 PolarHBondContact O-N 2.85Å; D108-R110 WeakPolarHBondContact OD1-CA 3.26Å; D108-R110 VanDerWaalsContact OD1-CB 3.31Å; D108-R110 WeakPolarHBondContact OD1-CB 3.37Å; D108-R110 PolarHBondContact OD1-N 2.89Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3.44Å; R110-D113 WeakPolarHBondContact O-CB 3.45Å; R110-D113 PolarHBondContact O-N 3.47Å; R110-E114 WeakPolarHBondContact CG-OE1 3.46Å; R110-E114 IonicContact CZ-OE1 3.79Å; R110-E114 IonicContact NE-OE1 2.95Å; R110-E114 PolarHBondContact NE-OE1 3.06Å; R110-E114 IonicContact NH2-OE1 3.78Å; R110-E114 WeakPolarHBondContact O-CG 3.22Å; R110-E114 PolarHBondContact O-N 3.4Å
111Q96.7Very high96.7Very high60 Ų6054.3 Ų54.328%0.2827%0.273SS..Hα-helixtrans-62.5-41.1175-68.4179.68.700111.4N107 D108 D113 E114 I115N107-Q111 PolarHBondContact ND2-OE1 2.88Å; D108-Q111 PolarHBondContact OD1-N 3.39Å; Q111-D113 VanDerWaalsContact C-N 3.34Å; Q111-D113 PolarHBondContact O-N 3.07Å; Q111-E114 PolarHBondContact O-N 2.99Å; Q111-I115 WeakPolarHBondContact O-CG1 3.48Å; Q111-I115 PolarHBondContact O-N 3.32Å
112L97.4Very high96.7Very high0 Ų055.6 Ų55.60%028%0.277CS..Hα-helixtrans-58.5-49.2172.817660.2000110.2V67 S106 D108 R109 R110 E114 I115 L116 V135 V141 T160V67-L112 HydrophobicContact CG1-CD1 4.04Å; S106-L112 WeakPolarHBondContact OG-CA 3.25Å; S106-L112 PolarHBondContact OG-N 2.92Å; D108-L112 PolarHBondContact O-N 3.15Å; R109-L112 PolarHBondContact O-N 3.13Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3.44Å; L112-E114 VanDerWaalsContact C-N 3.31Å; L112-E114 PolarHBondContact O-N 3.29Å; L112-I115 PolarHBondContact O-N 2.92Å; L112-I115 VanDerWaalsContact O-N 3.16Å; L112-L116 HydrophobicContact CD1-CD2 4.23Å; L112-L116 HydrophobicContact CD1-CG 4.29Å; L112-L116 HydrophobicContact CG-CD1 4.46Å; L112-L116 HydrophobicContact CG-CG 4.46Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.32Å; L112-V135 HydrophobicContact CD1-CG1 4.04Å; L112-V135 HydrophobicContact CD1-CG2 4.27Å; L112-V135 HydrophobicContact CD2-CG1 4.47Å; L112-V141 HydrophobicContact CD2-CG2 3.79Å; L112-T160 HydrophobicContact CD2-CG2 3.81Å; L112-T160 HydrophobicContact CG-CG2 4.5Å
113D95.8Very high96.7Very high15 Ų1557.5 Ų57.58%0.0829%0.289CS..Hα-helixtrans-59.7-38.1179.2-80.1-28000112.9R109 R110 Q111 L116 D117 T160 R163R109-D113 IonicContact CZ-OD2 3.71Å; R109-D113 IonicContact NH1-OD2 2.65Å; R109-D113 PolarHBondContact NH1-OD2 2.92Å; R109-D113 WeakPolarHBondContact O-CB 3.19Å; R109-D113 PolarHBondContact O-N 3.45Å; R110-D113 WeakPolarHBondContact O-CB 3.45Å; R110-D113 PolarHBondContact O-N 3.47Å; Q111-D113 VanDerWaalsContact C-N 3.34Å; Q111-D113 PolarHBondContact O-N 3.07Å; D113-L116 PolarHBondContact O-N 3.29Å; D113-D117 PolarHBondContact O-N 2.58Å; D113-T160 PolarHBondContact OD1-OG1 2.92Å; D113-R163 PolarHBondContact O-NH1 3.24Å; D113-R163 PolarHBondContact O-NH2 2.73Å; D113-R163 IonicContact OD1-CZ 3.66Å; D113-R163 IonicContact OD1-NH1 3.58Å; D113-R163 PolarHBondContact OD1-NH1 2.72Å; D113-R163 IonicContact OD2-NH1 3.95Å
114E97.3Very high96.6Very high89 Ų8960.4 Ų60.442%0.41631%0.311SS..Hα-helixtrans-66.1-38.6175.1-73.4168-174.100112R110 Q111 L112 D117 S118R110-E114 WeakPolarHBondContact CG-OE1 3.46Å; R110-E114 IonicContact CZ-OE1 3.79Å; R110-E114 IonicContact NE-OE1 2.95Å; R110-E114 PolarHBondContact NE-OE1 3.06Å; R110-E114 IonicContact NH2-OE1 3.78Å; R110-E114 WeakPolarHBondContact O-CG 3.22Å; R110-E114 PolarHBondContact O-N 3.4Å; Q111-E114 PolarHBondContact O-N 2.99Å; L112-E114 VanDerWaalsContact C-N 3.31Å; L112-E114 PolarHBondContact O-N 3.29Å; E114-D117 PolarHBondContact O-N 2.76Å; E114-S118 WeakPolarHBondContact O-CB 3.4Å; E114-S118 PolarHBondContact O-N 3.5Å; E114-S118 PolarHBondContact O-OG 3.45Å
115I97.8Very high96.5Very high14 Ų1461.5 Ų61.57%0.07232%0.319CS..Hα-helixtrans-65-45.5173-66.3162.2000110.2L65 V67 E104 Q111 L112 D117 S118 I119L65-I115 HydrophobicContact CD2-CG2 4.25Å; V67-I115 HydrophobicContact CG1-CD1 3.8Å; V67-I115 HydrophobicContact CG2-CG2 3.9Å; E104-I115 HydrophobicContact CB-CD1 3.93Å; E104-I115 HydrophobicContact CB-CG1 4.48Å; Q111-I115 WeakPolarHBondContact O-CG1 3.48Å; Q111-I115 PolarHBondContact O-N 3.32Å; L112-I115 PolarHBondContact O-N 2.92Å; L112-I115 VanDerWaalsContact O-N 3.16Å; I115-D117 VanDerWaalsContact C-N 3.31Å; I115-D117 PolarHBondContact O-N 3.25Å; I115-S118 WeakPolarHBondContact O-CB 3.29Å; I115-S118 PolarHBondContact O-N 2.89Å; I115-S118 VanDerWaalsContact O-N 3.15Å; I115-I119 HydrophobicContact CG2-CD1 4.47Å; I115-I119 WeakPolarHBondContact O-CG1 3.08Å; I115-I119 PolarHBondContact O-N 3.32Å
116L97.7Very high96.4Very high0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-61.7-39.5177-58.4-175.4000111.4L112 D113 S118 I119 C120 T160 R163 L164 L167L112-L116 HydrophobicContact CD1-CD2 4.23Å; L112-L116 HydrophobicContact CD1-CG 4.29Å; L112-L116 HydrophobicContact CG-CD1 4.46Å; L112-L116 HydrophobicContact CG-CG 4.46Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.32Å; D113-L116 PolarHBondContact O-N 3.29Å; L116-S118 VanDerWaalsContact C-N 3.34Å; L116-I119 HydrophobicContact CD2-CD1 4.45Å; L116-I119 PolarHBondContact O-N 2.94Å; L116-C120 PolarHBondContact O-N 3.44Å; L116-C120 PolarHBondContact O-SG 3.07Å; L116-T160 HydrophobicContact CD1-CG2 4.25Å; L116-R163 HydrophobicContact CD1-CB 4.15Å; L116-L164 HydrophobicContact CD1-CD2 4.2Å; L116-L164 HydrophobicContact CD1-CG 4.24Å; L116-L164 HydrophobicContact CD2-CD2 3.84Å; L116-L167 HydrophobicContact CB-CD1 4.27Å; L116-L167 HydrophobicContact CD2-CD1 3.57Å; L116-L167 HydrophobicContact CG-CD1 4.38Å
117D97.5Very high96.4Very high88 Ų8861.2 Ų61.247%0.47132%0.316SS..Hα-helixtrans-64.9-38.3174.7-77.2-35.6000111.9D113 E114 I115 I119 C120 A121 R163D113-D117 PolarHBondContact O-N 2.58Å; E114-D117 PolarHBondContact O-N 2.76Å; I115-D117 VanDerWaalsContact C-N 3.31Å; I115-D117 PolarHBondContact O-N 3.25Å; D117-I119 VanDerWaalsContact C-N 3.3Å; D117-I119 PolarHBondContact O-N 2.82Å; D117-C120 WeakPolarHBondContact O-CB 3.34Å; D117-C120 PolarHBondContact O-N 3.19Å; D117-A121 WeakPolarHBondContact O-CB 3.41Å; D117-A121 PolarHBondContact O-N 3.38Å; D117-R163 IonicContact OD1-CZ 2.77Å; D117-R163 IonicContact OD1-NH2 3.81Å; D117-R163 PolarHBondContact OD1-NH2 3.3Å; D117-R163 IonicContact OD2-CZ 3.82Å; D117-R163 IonicContact OD2-NH2 3.68Å; D117-R163 PolarHBondContact OD2-NH2 2.8Å; D117-R163 VanDerWaalsContact OD2-NH2 3.16Å
118S97.8Very high96.4Very high39 Ų3961.7 Ų61.727%0.27332%0.319SS..Hα-helixtrans-61.6-38.9175.9-61.20000111.9E114 I115 L116 N122 V123 I126E114-S118 WeakPolarHBondContact O-CB 3.4Å; E114-S118 PolarHBondContact O-N 3.5Å; E114-S118 PolarHBondContact O-OG 3.45Å; I115-S118 WeakPolarHBondContact O-CB 3.29Å; I115-S118 PolarHBondContact O-N 2.89Å; I115-S118 VanDerWaalsContact O-N 3.15Å; L116-S118 VanDerWaalsContact C-N 3.34Å; S118-N122 WeakPolarHBondContact O-CA 3.38Å; S118-N122 PolarHBondContact O-N 3.39Å; S118-V123 PolarHBondContact O-N 3.38Å; S118-I126 WeakPolarHBondContact O-CG2 3.41Å
119I97.9Very high96.5Very high0 Ų061.4 Ų61.40%032%0.317CS..Hα-helixtrans-63.6-50.1172.6-60.1165.4000110.1L65 I115 L116 D117 A121 N122 I126 R127 V133 L167 L173L65-I119 HydrophobicContact CD2-CD1 3.6Å; L65-I119 HydrophobicContact CD2-CG1 4.02Å; I115-I119 HydrophobicContact CG2-CD1 4.47Å; I115-I119 WeakPolarHBondContact O-CG1 3.08Å; I115-I119 PolarHBondContact O-N 3.32Å; L116-I119 HydrophobicContact CD2-CD1 4.45Å; L116-I119 PolarHBondContact O-N 2.94Å; D117-I119 VanDerWaalsContact C-N 3.3Å; D117-I119 PolarHBondContact O-N 2.82Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 3.44Å; I119-N122 PolarHBondContact O-N 3.43Å; I119-I126 HydrophobicContact CG1-CD1 4.13Å; I119-I126 HydrophobicContact CG1-CG2 4.45Å; I119-R127 HydrophobicContact CG2-CG 3.93Å; I119-R127 WeakPolarHBondContact O-CD 3.46Å; I119-R127 WeakPolarHBondContact O-CG 3.41Å; I119-R127 PolarHBondContact O-NE 3.39Å; I119-R127 VanDerWaalsContact O-NE 3.13Å; I119-V133 HydrophobicContact CD1-CG1 4.39Å; I119-V133 HydrophobicContact CD1-CG2 4.08Å; I119-L167 HydrophobicContact CB-CD2 4.22Å; I119-L167 HydrophobicContact CD1-CD1 3.99Å; I119-L167 HydrophobicContact CG2-CD1 4.45Å; I119-L167 HydrophobicContact CG2-CD2 3.8Å; I119-L173 HydrophobicContact CG2-CD1 4.44Å
120C97Very high96.7Very high35 Ų3559.3 Ų59.324%0.23631%0.31CS..Hα-helixtrans-56.6-46.5179.6-73.80000112.5L116 D117 N122 L167 Y171L116-C120 PolarHBondContact O-N 3.44Å; L116-C120 PolarHBondContact O-SG 3.07Å; D117-C120 WeakPolarHBondContact O-CB 3.34Å; D117-C120 PolarHBondContact O-N 3.19Å; C120-N122 VanDerWaalsContact C-N 3.27Å; C120-N122 PolarHBondContact O-N 3.07Å; C120-L167 VanDerWaalsContact SG-CD2 3.5Å; C120-Y171 WeakPolarHBondContact CA-OH 3.34Å; C120-Y171 PolarHBondContact O-OH 3.21Å; C120-Y171 VanDerWaalsContact O-OH 3.05Å
121A97.6Very high96.9Very high75 Ų7554 Ų5462%0.6229%0.292SS*.Hα-helixtrans-79.8-4.5179.500000113.7D117 I119 V123D117-A121 WeakPolarHBondContact O-CB 3.41Å; D117-A121 PolarHBondContact O-N 3.38Å; I119-A121 VanDerWaalsContact C-N 3.34Å; I119-A121 PolarHBondContact O-N 3.44Å; A121-V123 VanDerWaalsContact C-N 3.28Å; A121-V123 HydrophobicContact CB-CG2 4Å; A121-V123 PolarHBondContact O-N 2.98Å
122N97.1Very high97Very high43 Ų4351.2 Ų51.223%0.2328%0.279CS..THydrogen-bonded Turntrans51.642.9-173.2-166.845000113.5S118 I119 C120 N124 D125 I126 R127S118-N122 WeakPolarHBondContact O-CA 3.38Å; S118-N122 PolarHBondContact O-N 3.39Å; I119-N122 PolarHBondContact O-N 3.43Å; C120-N122 VanDerWaalsContact C-N 3.27Å; C120-N122 PolarHBondContact O-N 3.07Å; N122-N124 PolarHBondContact O-N 2.85Å; N122-D125 PolarHBondContact ND2-OD1 3.31Å; N122-D125 PolarHBondContact O-N 3.35Å; N122-I126 PolarHBondContact OD1-N 2.77Å; N122-R127 WeakPolarHBondContact OD1-CB 3.43Å; N122-R127 PolarHBondContact OD1-N 3.14Å
123V97.2Very high97.1Very high66 Ų6651.2 Ų51.240%0.428%0.279SS..G310 helixtrans-59.2133.3177.3178.30000109.2S118 A121 D125 I126S118-V123 PolarHBondContact O-N 3.38Å; A121-V123 VanDerWaalsContact C-N 3.28Å; A121-V123 HydrophobicContact CB-CG2 4Å; A121-V123 PolarHBondContact O-N 2.98Å; V123-D125 PolarHBondContact O-N 3.34Å; V123-D125 VanDerWaalsContact O-N 3.13Å; V123-I126 WeakPolarHBondContact O-CB 3Å; V123-I126 WeakPolarHBondContact O-CG2 3.38Å; V123-I126 PolarHBondContact O-N 3.06Å
124N95Very high97.2Very high156 Ų15650.5 Ų50.583%0.83428%0.275SS*.G310 helixtrans51.433.7179.8-58.1-34.2000114.4N122 I126N122-N124 PolarHBondContact O-N 2.85Å; N124-I126 PolarHBondContact O-N 3.07Å; N124-I126 VanDerWaalsContact O-N 3.14Å
125D95.2Very high97.3Very high102 Ų10246.2 Ų46.255%0.54526%0.255SS..G310 helixtrans54.133.7-177.9-64.3-46.8000113.7R63 N122 V123 R127 N128R63-D125 PolarHBondContact NH1-O 2.87Å; N122-D125 PolarHBondContact ND2-OD1 3.31Å; N122-D125 PolarHBondContact O-N 3.35Å; V123-D125 PolarHBondContact O-N 3.34Å; V123-D125 VanDerWaalsContact O-N 3.13Å; D125-R127 PolarHBondContact O-N 3.13Å; D125-R127 VanDerWaalsContact O-N 3.15Å; D125-N128 HydrophobicContact CB-CB 4.09Å; D125-N128 WeakPolarHBondContact O-CB 3.28Å; D125-N128 PolarHBondContact O-N 2.89Å
126I96.2Very high97.3Very high18 Ų1845.6 Ų45.69%0.09225%0.252CS..THydrogen-bonded Turntrans-57.2-30.3179.4-166.9169.1000112.4L65 S118 I119 N122 V123 N124 N128L65-I126 HydrophobicContact CD2-CD1 3.99Å; S118-I126 WeakPolarHBondContact O-CG2 3.41Å; I119-I126 HydrophobicContact CG1-CD1 4.13Å; I119-I126 HydrophobicContact CG1-CG2 4.45Å; N122-I126 PolarHBondContact OD1-N 2.77Å; V123-I126 WeakPolarHBondContact O-CB 3Å; V123-I126 WeakPolarHBondContact O-CG2 3.38Å; V123-I126 PolarHBondContact O-N 3.06Å; N124-I126 PolarHBondContact O-N 3.07Å; N124-I126 VanDerWaalsContact O-N 3.14Å; I126-N128 VanDerWaalsContact C-N 3.35Å
127R96.1Very high97.1Very high92 Ų9246.1 Ų46.135%0.34725%0.254SS..THydrogen-bonded Turntrans-80.7-10.8176.3-61.9-166.6-76123.10.5113.6I119 N122 D125 N129 L130 Y171I119-R127 HydrophobicContact CG2-CG 3.93Å; I119-R127 WeakPolarHBondContact O-CD 3.46Å; I119-R127 WeakPolarHBondContact O-CG 3.41Å; I119-R127 PolarHBondContact O-NE 3.39Å; I119-R127 VanDerWaalsContact O-NE 3.13Å; N122-R127 WeakPolarHBondContact OD1-CB 3.43Å; N122-R127 PolarHBondContact OD1-N 3.14Å; D125-R127 PolarHBondContact O-N 3.13Å; D125-R127 VanDerWaalsContact O-N 3.15Å; R127-N129 PolarHBondContact O-N 2.92Å; R127-L130 WeakPolarHBondContact O-CB 3.33Å; R127-L130 PolarHBondContact O-N 3.31Å; R127-Y171 VanDerWaalsContact NH1-CD1 3.27Å
128N96.1Very high97.1Very high106 Ų10641.9 Ų41.957%0.56723%0.232SC*.THydrogen-bonded Turntrans-58.4115.6-178.7-179.526.9000110.1R63 D125 I126 L130R63-N128 VanDerWaalsContact CD-O 3.3Å; R63-N128 WeakPolarHBondContact CD-O 3.44Å; R63-N128 PolarHBondContact NH1-O 2.87Å; D125-N128 HydrophobicContact CB-CB 4.09Å; D125-N128 WeakPolarHBondContact O-CB 3.28Å; D125-N128 PolarHBondContact O-N 2.89Å; I126-N128 VanDerWaalsContact C-N 3.35Å; N128-L130 PolarHBondContact O-N 2.85Å; N128-L130 VanDerWaalsContact O-N 3.11Å
129N96Very high96.9Very high62 Ų6240.1 Ų40.133%0.33222%0.219SC..THydrogen-bonded Turntrans53.123.7-176.1-15816.9000115.2D61 R63 R127 K131D61-N129 PolarHBondContact O-ND2 2.89Å; R63-N129 PolarHBondContact N-O 2.76Å; R127-N129 PolarHBondContact O-N 2.92Å; N129-K131 WeakPolarHBondContact OD1-CE 3.5Å
130L98Very high96.7Very high10 Ų1043.1 Ų43.15%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-72.5129.8175.2-172.866.8000109.6R63 L65 R127 N128 A132 V133 L173R63-L130 HydrophobicContact CB-CD1 4.42Å; L65-L130 HydrophobicContact CB-CD1 3.81Å; R127-L130 WeakPolarHBondContact O-CB 3.33Å; R127-L130 PolarHBondContact O-N 3.31Å; N128-L130 PolarHBondContact O-N 2.85Å; N128-L130 VanDerWaalsContact O-N 3.11Å; L130-A132 WeakPolarHBondContact CD1-O 3.2Å; L130-V133 HydrophobicContact CD2-CG2 4.04Å; L130-L173 HydrophobicContact CB-CD2 4.21Å; L130-L173 HydrophobicContact CD2-CD1 4Å; L130-L173 HydrophobicContact CD2-CD2 4.23Å; L130-L173 HydrophobicContact CG-CD2 3.95Å; L130-L173 WeakPolarHBondContact O-CD2 3.48Å
131K98.2Very high96.5Very high65 Ų6541.7 Ų41.728%0.28323%0.227SC..EExtended strand (participates in β ladder)trans-115.7-27.6179.1-56.9-56.5177.5-174.10112.9Y14 L56 R63 N129 L173 C174Y14-K131 HydrophobicContact CE2-CB 3.93Å; Y14-K131 HydrophobicContact CE2-CG 4.45Å; Y14-K131 WeakPolarHBondContact OH-CD 3.34Å; L56-K131 HydrophobicContact CD1-CB 4.17Å; L56-K131 HydrophobicContact CD2-CB 4.43Å; R63-K131 PolarHBondContact O-N 3.36Å; N129-K131 WeakPolarHBondContact OD1-CE 3.5Å; K131-L173 WeakPolarHBondContact O-CA 3.34Å; K131-C174 PolarHBondContact O-N 3Å
132A98.6Very high96.4Very high0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-144.9150-178.500000112.8F52 L56 V64 L65 L130 C174F52-A132 HydrophobicContact CE1-CB 3.7Å; F52-A132 HydrophobicContact CZ-CB 3.83Å; L56-A132 HydrophobicContact CD1-CB 4Å; V64-A132 WeakPolarHBondContact CA-O 3.35Å; V64-A132 HydrophobicContact CG1-CB 4.11Å; V64-A132 HydrophobicContact CG2-CB 4.33Å; L65-A132 PolarHBondContact N-O 2.84Å; L130-A132 WeakPolarHBondContact CD1-O 3.2Å; A132-C174 CarbonylContact C-O 3.32Å; A132-C174 WeakPolarHBondContact CA-O 3.11Å; A132-C174 HydrophobicContact CB-CB 3.92Å; A132-C174 WeakPolarHBondContact CB-O 3.41Å
133V98.7Very high96.1Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-123122.1169.7-179.40000107.4L65 I119 L130 V135 L173 C174 V175 V176L65-V133 HydrophobicContact CB-CG2 4.42Å; L65-V133 HydrophobicContact CD2-CG1 4.34Å; L65-V133 HydrophobicContact CD2-CG2 4.44Å; L65-V133 CarbonylContact O-C 3.59Å; L65-V133 WeakPolarHBondContact O-CA 3.4Å; I119-V133 HydrophobicContact CD1-CG1 4.39Å; I119-V133 HydrophobicContact CD1-CG2 4.08Å; L130-V133 HydrophobicContact CD2-CG2 4.04Å; V133-V135 HydrophobicContact CG1-CG2 4.41Å; V133-L173 HydrophobicContact CG2-CD1 4.02Å; V133-C174 PolarHBondContact N-O 3.2Å; V133-V175 HydrophobicContact CB-CG2 4.47Å; V133-V175 CarbonylContact O-C 3.58Å; V133-V175 WeakPolarHBondContact O-CA 3.45Å; V133-V176 PolarHBondContact O-N 3.46Å
134V98.7Very high95.7Very high0 Ų037.7 Ų37.70%020%0.2CC..EExtended strand (participates in β ladder)trans-107.5131.3174.2179.40000108.4C49 F52 V64 L65 F66 V67 D136 V176C49-V134 HydrophobicContact CB-CG1 3.92Å; F52-V134 HydrophobicContact CD1-CG2 4.22Å; F52-V134 HydrophobicContact CE1-CG2 4.29Å; V64-V134 HydrophobicContact CG1-CG2 4.06Å; L65-V134 PolarHBondContact O-N 2.87Å; F66-V134 HydrophobicContact CD2-CB 3.84Å; F66-V134 HydrophobicContact CD2-CG1 3.71Å; F66-V134 HydrophobicContact CD2-CG2 4.49Å; F66-V134 HydrophobicContact CE2-CB 4.29Å; F66-V134 HydrophobicContact CE2-CG1 3.64Å; F66-V134 HydrophobicContact CG-CB 4.38Å; F66-V134 HydrophobicContact CG-CG1 4.46Å; F66-V134 HydrophobicContact CZ-CG1 4.32Å; V67-V134 PolarHBondContact N-O 2.84Å; V134-D136 HydrophobicContact CG1-CB 4.48Å; V134-V176 CarbonylContact C-O 3.57Å; V134-V176 WeakPolarHBondContact CA-O 3.34Å; V134-V176 HydrophobicContact CG2-CB 4.4Å
135V98.5Very high95.2Very high0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-118.5108169.2-169.70000109.2V67 T69 L112 V133 V138 L164 V176 V177 V178V67-V135 HydrophobicContact CB-CB 4.47Å; V67-V135 HydrophobicContact CB-CG1 4.24Å; V67-V135 HydrophobicContact CB-CG2 4.21Å; V67-V135 HydrophobicContact CG1-CG1 4.33Å; V67-V135 HydrophobicContact CG2-CG2 4.45Å; V67-V135 WeakPolarHBondContact O-CA 3.36Å; T69-V135 HydrophobicContact CG2-CG1 4.43Å; L112-V135 HydrophobicContact CD1-CG1 4.04Å; L112-V135 HydrophobicContact CD1-CG2 4.27Å; L112-V135 HydrophobicContact CD2-CG1 4.47Å; V133-V135 HydrophobicContact CG1-CG2 4.41Å; V135-V138 HydrophobicContact CB-CG1 3.83Å; V135-V138 HydrophobicContact CG1-CG1 3.57Å; V135-L164 HydrophobicContact CG2-CD2 4.16Å; V135-V176 PolarHBondContact N-O 3.25Å; V135-V177 HydrophobicContact CB-CB 4.46Å; V135-V177 HydrophobicContact CB-CG1 3.91Å; V135-V177 HydrophobicContact CG2-CG1 4.06Å; V135-V177 WeakPolarHBondContact O-CA 3.44Å; V135-V178 PolarHBondContact O-N 2.92Å
136D97.7Very high94.8Very high0 Ų028.6 Ų28.60%015%0.152CC..EExtended strand (participates in β ladder)trans-12292.9-179.4-168.811.3000108.4S46 F66 V67 D68 T69 S72 V134 V178S46-D136 WeakPolarHBondContact CA-OD2 3.46Å; S46-D136 WeakPolarHBondContact CB-OD2 3.46Å; S46-D136 PolarHBondContact OG-OD2 2.8Å; F66-D136 HydrophobicContact CE1-CB 3.79Å; F66-D136 HydrophobicContact CE2-CB 4.27Å; F66-D136 HydrophobicContact CZ-CB 3.42Å; F66-D136 VanDerWaalsContact CZ-CB 3.42Å; V67-D136 PolarHBondContact O-N 2.79Å; D68-D136 WeakPolarHBondContact CA-O 3.36Å; T69-D136 PolarHBondContact N-O 2.81Å; S72-D136 WeakPolarHBondContact CB-OD2 3.39Å; S72-D136 PolarHBondContact OG-OD2 2.77Å; V134-D136 HydrophobicContact CG1-CB 4.48Å; D136-V178 HydrophobicContact CB-CB 4.32Å; D136-V178 HydrophobicContact CB-CG2 3.75Å; D136-V178 VanDerWaalsContact OD1-CB 3.3Å; D136-V178 WeakPolarHBondContact OD1-CB 3.48Å; D136-V178 WeakPolarHBondContact OD1-CG2 3.34Å
137H94.2Very high94.2Very high11 Ų1133.9 Ų33.95%0.05118%0.184CC..THydrogen-bonded Turncis-140.3126.825.4-143.9-92.1000110.7K45 T69 T70 S139 T140 V178 N179 N180K45-H137 WeakPolarHBondContact CE-NE2 3.29Å; K45-H137 PolarHBondContact NZ-NE2 2.82Å; T69-H137 PolarHBondContact OG1-N 2.79Å; T69-H137 PolarHBondContact OG1-O 2.82Å; T70-H137 HydrophobicContact CG2-CB 3.86Å; H137-S139 PolarHBondContact ND1-OG 2.87Å; H137-S139 VanDerWaalsContact ND1-OG 3.16Å; H137-S139 PolarHBondContact O-N 3.47Å; H137-S139 VanDerWaalsContact O-N 3.16Å; H137-T140 PolarHBondContact O-N 2.96Å; H137-V178 CarbonylContact C-O 3.59Å; H137-V178 WeakPolarHBondContact CA-O 3.44Å; H137-V178 VanDerWaalsContact CD2-CB 3.46Å; H137-V178 WeakPolarHBondContact CD2-CB 3.3Å; H137-V178 WeakPolarHBondContact CD2-CG1 3.39Å; H137-V178 VanDerWaalsContact CG-O 3.25Å; H137-V178 PolarHBondContact ND1-O 3.32Å; H137-V178 WeakPolarHBondContact NE2-CG1 3.46Å; H137-N179 VanDerWaalsContact CE1-CA 3.4Å; H137-N179 WeakPolarHBondContact CE1-CA 3.31Å; H137-N179 PolarHBondContact CE1-O 2.85Å; H137-N180 PolarHBondContact CE1-N 3.27Å; H137-N180 PolarHBondContact CE1-OD1 2.97Å
138V96.7Very high93.2Very high0 Ų037.1 Ų37.10%020%0.204CC..Hα-helixtrans-62.4-30.3-174.8-71.10000113.2V135 T140 V141 L142 V177 V178 N179 L193 W197V135-V138 HydrophobicContact CB-CG1 3.83Å; V135-V138 HydrophobicContact CG1-CG1 3.57Å; V138-T140 VanDerWaalsContact C-N 3.27Å; V138-T140 PolarHBondContact O-N 3.36Å; V138-V141 VanDerWaalsContact O-CG2 3.31Å; V138-V141 WeakPolarHBondContact O-CG2 3.45Å; V138-V141 PolarHBondContact O-N 3.4Å; V138-L142 HydrophobicContact CB-CD1 4.11Å; V138-L142 WeakPolarHBondContact O-CB 3.24Å; V138-L142 VanDerWaalsContact O-CG 3.31Å; V138-L142 WeakPolarHBondContact O-CG 3.34Å; V138-L142 PolarHBondContact O-N 3.14Å; V138-V177 HydrophobicContact CG1-CB 3.75Å; V138-V177 HydrophobicContact CG1-CG1 3.87Å; V138-V177 HydrophobicContact CG1-CG2 4.48Å; V138-V177 HydrophobicContact CG2-CB 4.18Å; V138-V177 HydrophobicContact CG2-CG2 4.25Å; V138-V178 WeakPolarHBondContact CG2-O 3Å; V138-V178 PolarHBondContact N-O 2.92Å; V138-N179 HydrophobicContact CG2-CB 4.2Å; V138-L193 HydrophobicContact CG2-CD1 4.03Å; V138-W197 HydrophobicContact CB-CH2 4.26Å; V138-W197 HydrophobicContact CG1-CH2 4.32Å; V138-W197 HydrophobicContact CG2-CH2 3.93Å; V138-W197 HydrophobicContact CG2-CZ2 3.79Å
139S94.3Very high92.5Very high1 Ų138.1 Ų38.11%0.00721%0.205CC..Hα-helixtrans-60.2-37.2179.9-30.40000112.3H137 V141 L142 S143 N179 N180H137-S139 PolarHBondContact ND1-OG 2.87Å; H137-S139 VanDerWaalsContact ND1-OG 3.16Å; H137-S139 PolarHBondContact O-N 3.47Å; H137-S139 VanDerWaalsContact O-N 3.16Å; S139-V141 PolarHBondContact O-N 3.12Å; S139-L142 PolarHBondContact O-N 3.33Å; S139-S143 WeakPolarHBondContact O-CB 3.31Å; S139-S143 PolarHBondContact O-N 3.4Å; S139-S143 PolarHBondContact O-OG 2.9Å; S139-N179 WeakPolarHBondContact OG-CA 3.46Å; S139-N179 PolarHBondContact OG-OD1 3.49Å; S139-N180 PolarHBondContact OG-N 3.29Å
140T93.2Very high91.9Very high63 Ų6345.5 Ų45.539%0.38723%0.228SC..Hα-helixtrans-62.8-34.5-176.7-57.30000111.7T70 H137 V138 P144T70-T140 HydrophobicContact CG2-CG2 4.38Å; T70-T140 WeakPolarHBondContact CG2-OG1 3.31Å; H137-T140 PolarHBondContact O-N 2.96Å; V138-T140 VanDerWaalsContact C-N 3.27Å; V138-T140 PolarHBondContact O-N 3.36Å; T140-P144 WeakPolarHBondContact O-CD 3.4Å; T140-P144 WeakPolarHBondContact O-CG 3.2Å
141V94.1Very high91.5Very high5 Ų551.4 Ų51.43%0.0326%0.257CS..Hα-helixtrans-95.7-24.1-179.1-61.80000113.4T69 L112 V138 S139T69-V141 HydrophobicContact CG2-CG1 3.81Å; L112-V141 HydrophobicContact CD2-CG2 3.79Å; V138-V141 VanDerWaalsContact O-CG2 3.31Å; V138-V141 WeakPolarHBondContact O-CG2 3.45Å; V138-V141 PolarHBondContact O-N 3.4Å; S139-V141 PolarHBondContact O-N 3.12Å
142L94.1Very high91.1Very high0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-96.8-40.4-177-61.8-176.8000113.7R109 V138 S139 P144 T145 M157 T160 L193 W197R109-L142 HydrophobicContact CB-CD2 4.39Å; R109-L142 HydrophobicContact CG-CD2 3.84Å; V138-L142 HydrophobicContact CB-CD1 4.11Å; V138-L142 WeakPolarHBondContact O-CB 3.24Å; V138-L142 VanDerWaalsContact O-CG 3.31Å; V138-L142 WeakPolarHBondContact O-CG 3.34Å; V138-L142 PolarHBondContact O-N 3.14Å; S139-L142 PolarHBondContact O-N 3.33Å; L142-P144 VanDerWaalsContact C-CD 3.47Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 3.09Å; L142-T145 VanDerWaalsContact O-N 3.11Å; L142-T145 PolarHBondContact O-OG1 3.35Å; L142-M157 HydrophobicContact CD1-CG 4.23Å; L142-T160 HydrophobicContact CD1-CG2 4.41Å; L142-T160 HydrophobicContact CD2-CG2 4.21Å; L142-L193 HydrophobicContact CB-CD2 4.06Å; L142-L193 HydrophobicContact CD1-CD1 4.16Å; L142-W197 HydrophobicContact CD1-CE3 4.14Å; L142-W197 HydrophobicContact CD1-CH2 4.03Å; L142-W197 HydrophobicContact CD1-CZ3 3.48Å; L142-W197 VanDerWaalsContact CD1-CZ3 3.48Å
143S91.5Very high90.7Very high35 Ų3552.2 Ų52.225%0.24526%0.263CS..Hα-helixtrans-58-39.5-177.1-62.60000114.2S139 T145 L146S139-S143 WeakPolarHBondContact O-CB 3.31Å; S139-S143 PolarHBondContact O-N 3.4Å; S139-S143 PolarHBondContact O-OG 2.9Å; S143-T145 PolarHBondContact O-N 3.08Å; S143-L146 WeakPolarHBondContact O-CB 3.43Å; S143-L146 PolarHBondContact O-N 2.91Å
144P89.4Confident90.4Very high65 Ų6554.5 Ų54.542%0.42227%0.274SS..Hα-helixtrans-58-32.9177.3-26.836.1000113.5T140 L142 L146 V147 Q148T140-P144 WeakPolarHBondContact O-CD 3.4Å; T140-P144 WeakPolarHBondContact O-CG 3.2Å; L142-P144 VanDerWaalsContact C-CD 3.47Å; P144-L146 VanDerWaalsContact C-N 3.27Å; P144-L146 PolarHBondContact O-N 2.85Å; P144-V147 PolarHBondContact O-N 3.09Å; P144-Q148 PolarHBondContact O-N 2.99Å
145T83.7Confident90.1Very high22 Ų2259.1 Ų59.114%0.13530%0.295CS..Hα-helixtrans-68.5-28.1179.571.90000112.5R109 L142 S143 V147 G153R109-T145 HydrophobicContact CB-CG2 4.49Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 3.09Å; L142-T145 VanDerWaalsContact O-N 3.11Å; L142-T145 PolarHBondContact O-OG1 3.35Å; S143-T145 PolarHBondContact O-N 3.08Å; T145-V147 VanDerWaalsContact C-N 3.34Å; T145-G153 WeakPolarHBondContact O-CA 3.29Å
146L86.3Confident89.8Confident46 Ų4660.3 Ų60.324%0.24130%0.301CS..Hα-helixtrans-73.7-26.5179.3-59.9176.4000112.7S143 P144 M154 M157 L193S143-L146 WeakPolarHBondContact O-CB 3.43Å; S143-L146 PolarHBondContact O-N 2.91Å; P144-L146 VanDerWaalsContact C-N 3.27Å; P144-L146 PolarHBondContact O-N 2.85Å; L146-M154 HydrophobicContact CD2-CB 4.47Å; L146-M157 HydrophobicContact CD1-SD 3.91Å; L146-M157 HydrophobicContact CD2-CB 4.35Å; L146-M157 HydrophobicContact CD2-CE 4.2Å; L146-M157 HydrophobicContact CD2-SD 4.02Å; L146-M157 HydrophobicContact CG-SD 4.43Å; L146-L193 HydrophobicContact CD1-CD2 4.05Å
147V83.1Confident89.6Confident128 Ų12860.4 Ų60.478%0.77630%0.302SS*.Hα-helixtrans-82.6-39.6-179-179.90000111.5P144 T145P144-V147 PolarHBondContact O-N 3.09Å; T145-V147 VanDerWaalsContact C-N 3.34Å
148Q76.1Confident89.6Confident160 Ų16062.7 Ų62.775%0.74831%0.314SS*.Hα-helixtrans-71.1-49.1-174.4-69.5177.2-14.500112.8P144P144-Q148 PolarHBondContact O-N 2.99Å
149E81.2Confident89.5Confident127 Ų12770.3 Ų70.359%0.59334%0.342SS*.  trans-143.390.8-177.1-69.6-177.5173.800109.3M151 Q152 G153E149-M151 VanDerWaalsContact C-N 3.28Å; E149-M151 PolarHBondContact O-N 2.74Å; E149-Q152 HydrophobicContact CB-CB 3.94Å; E149-Q152 PolarHBondContact O-N 2.77Å; E149-Q152 VanDerWaalsContact O-N 3.14Å; E149-Q152 WeakPolarHBondContact OE2-CB 3.05Å; E149-G153 PolarHBondContact O-N 3.3Å
150R84Confident89.6Confident217 Ų21770.3 Ų70.382%0.81934%0.342SS*.Hα-helixtrans-48-45.8-167.7-170.8179.5179.9-171.91.4114.2M154R150-M154 VanDerWaalsContact O-CB 3.26Å; R150-M154 WeakPolarHBondContact O-CB 3.47Å; R150-M154 PolarHBondContact O-N 2.96Å; R150-M154 VanDerWaalsContact O-N 3.13Å
151M88.6Confident89.8Confident135 Ų13567.3 Ų67.367%0.66532%0.324SS*.Hα-helixtrans-73.6-48.1-178.5-170.1178.8-68.700112.5E149 M154 Q155E149-M151 VanDerWaalsContact C-N 3.28Å; E149-M151 PolarHBondContact O-N 2.74Å; M151-M154 PolarHBondContact O-N 3.21Å; M151-Q155 WeakPolarHBondContact O-CG 3.45Å; M151-Q155 PolarHBondContact O-N 3.22Å
152Q90.3Very high89.9Confident80 Ų8071 Ų7137%0.37435%0.346SS..Hα-helixtrans-67.2-39.9180-174.759.458.500111.7E149 Q155 N156E149-Q152 HydrophobicContact CB-CB 3.94Å; E149-Q152 PolarHBondContact O-N 2.77Å; E149-Q152 VanDerWaalsContact O-N 3.14Å; E149-Q152 WeakPolarHBondContact OE2-CB 3.05Å; Q152-Q155 PolarHBondContact O-N 2.88Å; Q152-N156 PolarHBondContact NE2-OD1 2.9Å; Q152-N156 VanDerWaalsContact NE2-OD1 3.11Å; Q152-N156 WeakPolarHBondContact O-CB 3.18Å; Q152-N156 PolarHBondContact O-N 3.38Å; Q152-N156 PolarHBondContact O-ND2 3.44Å
153G91.2Very high90.1Very high2 Ų272.7 Ų72.72%0.02135%0.352CS..Hα-helixtrans-57.8-46.9172.300000112.2T145 E149 Q155 N156 M157T145-G153 WeakPolarHBondContact O-CA 3.29Å; E149-G153 PolarHBondContact O-N 3.3Å; G153-Q155 PolarHBondContact O-N 3.47Å; G153-N156 PolarHBondContact O-N 3.31Å; G153-M157 WeakPolarHBondContact O-CB 3.25Å; G153-M157 PolarHBondContact O-N 2.93Å
154M91.8Very high90.4Very high47 Ų4771 Ų7123%0.23234%0.341CS..Hα-helixtrans-61.5-44.3176.1-176.218077.600111.9L146 R150 M151 N156 M157 M158 W196L146-M154 HydrophobicContact CD2-CB 4.47Å; R150-M154 VanDerWaalsContact O-CB 3.26Å; R150-M154 WeakPolarHBondContact O-CB 3.47Å; R150-M154 PolarHBondContact O-N 2.96Å; R150-M154 VanDerWaalsContact O-N 3.13Å; M151-M154 PolarHBondContact O-N 3.21Å; M154-N156 PolarHBondContact O-N 2.83Å; M154-M157 HydrophobicContact CG-CE 4.5Å; M154-M157 PolarHBondContact O-N 3.24Å; M154-M158 HydrophobicContact CG-SD 4.26Å; M154-M158 WeakPolarHBondContact O-CB 3.5Å; M154-M158 VanDerWaalsContact O-CG 3.3Å; M154-M158 WeakPolarHBondContact O-CG 3.26Å; M154-M158 PolarHBondContact O-N 2.92Å; M154-W196 HydrophobicContact CG-CB 4.38Å; M154-W196 HydrophobicContact CG-CG 4.03Å; M154-W196 HydrophobicContact SD-CD2 3.85Å; M154-W196 VanDerWaalsContact SD-CE2 3.54Å; M154-W196 HydrophobicContact SD-CG 3.74Å; M154-W196 HydrophobicContact SD-CZ2 4.25Å; M154-W196 PolarHBondContact SD-NE1 3.14Å
155Q92.4Very high90.8Very high97 Ų9771.5 Ų71.545%0.45333%0.334SS..Hα-helixtrans-61.7-43.3175.6-71.4176.43.100112.1M151 Q152 G153 M158 R159M151-Q155 WeakPolarHBondContact O-CG 3.45Å; M151-Q155 PolarHBondContact O-N 3.22Å; Q152-Q155 PolarHBondContact O-N 2.88Å; G153-Q155 PolarHBondContact O-N 3.47Å; Q155-M158 PolarHBondContact O-N 3.42Å; Q155-R159 WeakPolarHBondContact O-CB 3.48Å; Q155-R159 PolarHBondContact O-N 3.05Å
156N92.1Very high91.4Very high25 Ų2573.9 Ų73.913%0.13435%0.346CS..Hα-helixtrans-63.2-46.7177.6-73.1-22.3000111.5Q152 G153 M154 R159 T160Q152-N156 PolarHBondContact NE2-OD1 2.9Å; Q152-N156 VanDerWaalsContact NE2-OD1 3.11Å; Q152-N156 WeakPolarHBondContact O-CB 3.18Å; Q152-N156 PolarHBondContact O-N 3.38Å; Q152-N156 PolarHBondContact O-ND2 3.44Å; G153-N156 PolarHBondContact O-N 3.31Å; M154-N156 PolarHBondContact O-N 2.83Å; N156-R159 WeakPolarHBondContact O-CB 3.37Å; N156-R159 PolarHBondContact O-N 2.86Å; N156-T160 PolarHBondContact O-N 3.15Å; N156-T160 PolarHBondContact O-OG1 3.42Å
157M94.4Very high92Very high3 Ų371.7 Ų71.72%0.01534%0.335CS..Hα-helixtrans-58.8-47.7175.6178.1-173.568.600111.4L142 L146 G153 M154 R159 T160 A161 L193 W196 W197L142-M157 HydrophobicContact CD1-CG 4.23Å; L146-M157 HydrophobicContact CD1-SD 3.91Å; L146-M157 HydrophobicContact CD2-CB 4.35Å; L146-M157 HydrophobicContact CD2-CE 4.2Å; L146-M157 HydrophobicContact CD2-SD 4.02Å; L146-M157 HydrophobicContact CG-SD 4.43Å; G153-M157 WeakPolarHBondContact O-CB 3.25Å; G153-M157 PolarHBondContact O-N 2.93Å; M154-M157 HydrophobicContact CG-CE 4.5Å; M154-M157 PolarHBondContact O-N 3.24Å; M157-R159 VanDerWaalsContact C-N 3.33Å; M157-R159 PolarHBondContact O-N 2.63Å; M157-T160 PolarHBondContact O-N 2.99Å; M157-A161 WeakPolarHBondContact O-CB 3.32Å; M157-A161 PolarHBondContact O-N 2.93Å; M157-L193 HydrophobicContact SD-CB 3.82Å; M157-L193 HydrophobicContact SD-CD2 3.97Å; M157-L193 HydrophobicContact SD-CG 4.32Å; M157-W196 HydrophobicContact CE-CB 4.02Å; M157-W197 HydrophobicContact CE-CB 4.04Å; M157-W197 HydrophobicContact CG-CE3 3.85Å; M157-W197 HydrophobicContact SD-CB 3.99Å; M157-W197 HydrophobicContact SD-CE3 4.48Å
158M94Very high92.7Very high59 Ų5965.6 Ų65.629%0.29130%0.298SS..Hα-helixtrans-62.3-40.4177.2-73.3179.170.500111.6M154 Q155 A161 V162 W196M154-M158 HydrophobicContact CG-SD 4.26Å; M154-M158 WeakPolarHBondContact O-CB 3.5Å; M154-M158 VanDerWaalsContact O-CG 3.3Å; M154-M158 WeakPolarHBondContact O-CG 3.26Å; M154-M158 PolarHBondContact O-N 2.92Å; Q155-M158 PolarHBondContact O-N 3.42Å; M158-A161 PolarHBondContact O-N 3.16Å; M158-V162 WeakPolarHBondContact O-CB 3.32Å; M158-V162 VanDerWaalsContact O-CG2 3.32Å; M158-V162 WeakPolarHBondContact O-CG2 3.37Å; M158-V162 PolarHBondContact O-N 3.33Å; M158-W196 HydrophobicContact CE-CE3 4.22Å; M158-W196 HydrophobicContact CG-CB 4.18Å; M158-W196 HydrophobicContact SD-CB 4.12Å; M158-W196 HydrophobicContact SD-CD2 4.37Å; M158-W196 HydrophobicContact SD-CE3 3.99Å; M158-W196 HydrophobicContact SD-CG 4.46Å
159R94.4Very high93.6Very high160 Ų16062.6 Ų62.660%0.60428%0.282SS*.Hα-helixtrans-60.3-47.8175.7-176.6178.7178.1-179.7-2.1111.2Q155 N156 M157 V162 R163Q155-R159 WeakPolarHBondContact O-CB 3.48Å; Q155-R159 PolarHBondContact O-N 3.05Å; N156-R159 WeakPolarHBondContact O-CB 3.37Å; N156-R159 PolarHBondContact O-N 2.86Å; M157-R159 VanDerWaalsContact C-N 3.33Å; M157-R159 PolarHBondContact O-N 2.63Å; R159-V162 PolarHBondContact O-N 3.42Å; R159-R163 VanDerWaalsContact O-CG 3.26Å; R159-R163 WeakPolarHBondContact O-CG 3.31Å; R159-R163 PolarHBondContact O-N 2.99Å
160T96.1Very high94.3Very high0 Ų064.2 Ų64.20%028%0.283CS..Hα-helixtrans-62.3-43.1176.5-58.50000111.3L112 D113 L116 L142 N156 M157 V162 R163 L164L112-T160 HydrophobicContact CD2-CG2 3.81Å; L112-T160 HydrophobicContact CG-CG2 4.5Å; D113-T160 PolarHBondContact OD1-OG1 2.92Å; L116-T160 HydrophobicContact CD1-CG2 4.25Å; L142-T160 HydrophobicContact CD1-CG2 4.41Å; L142-T160 HydrophobicContact CD2-CG2 4.21Å; N156-T160 PolarHBondContact O-N 3.15Å; N156-T160 PolarHBondContact O-OG1 3.42Å; M157-T160 PolarHBondContact O-N 2.99Å; T160-V162 PolarHBondContact O-N 3.14Å; T160-R163 PolarHBondContact O-N 3.06Å; T160-L164 HydrophobicContact CG2-CD1 4.15Å; T160-L164 WeakPolarHBondContact O-CG 3.46Å; T160-L164 PolarHBondContact O-N 2.85Å
161A96.9Very high94.8Very high0 Ų055.7 Ų55.70%025%0.251CS..Hα-helixtrans-61.1-44177.500000112.9M157 M158 L164 R165 W197 I200M157-A161 WeakPolarHBondContact O-CB 3.32Å; M157-A161 PolarHBondContact O-N 2.93Å; M158-A161 PolarHBondContact O-N 3.16Å; A161-L164 PolarHBondContact O-N 3.41Å; A161-R165 PolarHBondContact O-N 3.41Å; A161-W197 HydrophobicContact CB-CD2 4.46Å; A161-W197 HydrophobicContact CB-CE3 3.56Å; A161-W197 HydrophobicContact CB-CH2 4.4Å; A161-W197 HydrophobicContact CB-CZ3 3.52Å; A161-I200 HydrophobicContact CB-CB 4.13Å; A161-I200 HydrophobicContact CB-CD1 3.44Å; A161-I200 VanDerWaalsContact CB-CD1 3.44Å; A161-I200 HydrophobicContact CB-CG1 4.36Å; A161-I200 HydrophobicContact CB-CG2 3.89Å
162V97Very high95.2Very high82 Ų8251.2 Ų51.250%0.49723%0.23SC..Hα-helixtrans-64.6-40.4176170.90000110.8M158 R159 T160 R165 D166 I200M158-V162 WeakPolarHBondContact O-CB 3.32Å; M158-V162 VanDerWaalsContact O-CG2 3.32Å; M158-V162 WeakPolarHBondContact O-CG2 3.37Å; M158-V162 PolarHBondContact O-N 3.33Å; R159-V162 PolarHBondContact O-N 3.42Å; T160-V162 PolarHBondContact O-N 3.14Å; V162-R165 PolarHBondContact O-N 3.28Å; V162-D166 WeakPolarHBondContact O-CB 3.48Å; V162-D166 PolarHBondContact O-N 2.87Å; V162-I200 HydrophobicContact CG2-CD1 4.28Å
163R97.2Very high95.5Very high37 Ų3747.6 Ų47.614%0.1421%0.213CC..Hα-helixtrans-62.8-42.5175.6-71.7175.672.6-164.91112.2D113 L116 D117 R159 T160 R165 D166 L167D113-R163 PolarHBondContact O-NH1 3.24Å; D113-R163 PolarHBondContact O-NH2 2.73Å; D113-R163 IonicContact OD1-CZ 3.66Å; D113-R163 IonicContact OD1-NH1 3.58Å; D113-R163 PolarHBondContact OD1-NH1 2.72Å; D113-R163 IonicContact OD2-NH1 3.95Å; L116-R163 HydrophobicContact CD1-CB 4.15Å; D117-R163 IonicContact OD1-CZ 2.77Å; D117-R163 IonicContact OD1-NH2 3.81Å; D117-R163 PolarHBondContact OD1-NH2 3.3Å; D117-R163 IonicContact OD2-CZ 3.82Å; D117-R163 IonicContact OD2-NH2 3.68Å; D117-R163 PolarHBondContact OD2-NH2 2.8Å; D117-R163 VanDerWaalsContact OD2-NH2 3.16Å; R159-R163 VanDerWaalsContact O-CG 3.26Å; R159-R163 WeakPolarHBondContact O-CG 3.31Å; R159-R163 PolarHBondContact O-N 2.99Å; T160-R163 PolarHBondContact O-N 3.06Å; R163-R165 PolarHBondContact O-N 2.95Å; R163-D166 PolarHBondContact O-N 3.49Å; R163-L167 WeakPolarHBondContact O-CG 3.46Å; R163-L167 PolarHBondContact O-N 2.83Å
164L98.2Very high95.9Very high0 Ų047.5 Ų47.50%021%0.212CC..Hα-helixtrans-60.4-44.5175-73.4164.6000111.7F34 L116 V135 T160 A161 L167 A168 V175 V177 W197F34-L164 HydrophobicContact CD2-CB 4.39Å; F34-L164 HydrophobicContact CE1-CB 4.38Å; F34-L164 HydrophobicContact CE2-CB 4.11Å; F34-L164 HydrophobicContact CE2-CD1 4.26Å; F34-L164 HydrophobicContact CZ-CB 4.11Å; F34-L164 HydrophobicContact CZ-CD1 4.04Å; L116-L164 HydrophobicContact CD1-CD2 4.2Å; L116-L164 HydrophobicContact CD1-CG 4.24Å; L116-L164 HydrophobicContact CD2-CD2 3.84Å; V135-L164 HydrophobicContact CG2-CD2 4.16Å; T160-L164 HydrophobicContact CG2-CD1 4.15Å; T160-L164 WeakPolarHBondContact O-CG 3.46Å; T160-L164 PolarHBondContact O-N 2.85Å; A161-L164 PolarHBondContact O-N 3.41Å; L164-L167 PolarHBondContact O-N 3.46Å; L164-A168 PolarHBondContact O-N 2.66Å; L164-V175 HydrophobicContact CB-CG1 4.16Å; L164-V175 HydrophobicContact CD2-CG1 3.9Å; L164-V177 HydrophobicContact CD1-CG1 4.05Å; L164-V177 HydrophobicContact CD2-CG1 4.36Å; L164-W197 HydrophobicContact CD1-CH2 4Å
165R97.8Very high96.2Very high74 Ų7445.3 Ų45.328%0.27920%0.201SC..Hα-helixtrans-63.6-43.1174-171.5-168.4-89.5179.9-13.6111.8F34 A161 V162 R163 L167 A168 K169 S199 I200 D202F34-R165 HydrophobicContact CB-CB 4.27Å; F34-R165 HydrophobicContact CB-CG 4.38Å; F34-R165 HydrophobicContact CD1-CB 4.05Å; A161-R165 PolarHBondContact O-N 3.41Å; V162-R165 PolarHBondContact O-N 3.28Å; R163-R165 PolarHBondContact O-N 2.95Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-L167 PolarHBondContact O-N 2.87Å; R165-A168 WeakPolarHBondContact O-CB 3.39Å; R165-A168 PolarHBondContact O-N 2.99Å; R165-K169 HydrophobicContact CG-CG 4.5Å; R165-K169 WeakPolarHBondContact O-CG 3.49Å; R165-K169 PolarHBondContact O-N 3.46Å; R165-K169 VanDerWaalsContact O-N 3.1Å; R165-S199 PolarHBondContact NH2-O 3.16Å; R165-I200 HydrophobicContact CB-CG2 4.3Å; R165-I200 PolarHBondContact NE-O 2.77Å; R165-I200 VanDerWaalsContact NH2-CA 3.28Å; R165-I200 PolarHBondContact NH2-O 2.91Å; R165-D202 IonicContact NE-OD1 2.7Å
166D97.3Very high96.5Very high72 Ų7240.9 Ų40.939%0.38518%0.181SC..Hα-helixtrans-60.7-42.9177.4-173.258.5000111.3V162 R163 A168 K169 R170V162-D166 WeakPolarHBondContact O-CB 3.48Å; V162-D166 PolarHBondContact O-N 2.87Å; R163-D166 PolarHBondContact O-N 3.49Å; D166-A168 VanDerWaalsContact C-N 3.31Å; D166-A168 PolarHBondContact O-N 3.46Å; D166-K169 PolarHBondContact O-N 3.19Å; D166-R170 WeakPolarHBondContact O-CB 3.27Å; D166-R170 PolarHBondContact O-N 3.26Å
167L97.5Very high96.8Very high1 Ų139.7 Ų39.71%0.00517%0.174CC..Hα-helixtrans-56.3-45.3174.3-73.9-176.7000112.1L116 I119 C120 R163 L164 R165 Y171 V175L116-L167 HydrophobicContact CB-CD1 4.27Å; L116-L167 HydrophobicContact CD2-CD1 3.57Å; L116-L167 HydrophobicContact CG-CD1 4.38Å; I119-L167 HydrophobicContact CB-CD2 4.22Å; I119-L167 HydrophobicContact CD1-CD1 3.99Å; I119-L167 HydrophobicContact CG2-CD1 4.45Å; I119-L167 HydrophobicContact CG2-CD2 3.8Å; C120-L167 VanDerWaalsContact SG-CD2 3.5Å; R163-L167 WeakPolarHBondContact O-CG 3.46Å; R163-L167 PolarHBondContact O-N 2.83Å; L164-L167 PolarHBondContact O-N 3.46Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-L167 PolarHBondContact O-N 2.87Å; L167-Y171 HydrophobicContact CD2-CD2 3.65Å; L167-Y171 HydrophobicContact CD2-CE2 3.6Å; L167-Y171 WeakPolarHBondContact O-CB 3.3Å; L167-Y171 PolarHBondContact O-N 3.18Å; L167-Y171 VanDerWaalsContact O-N 3.16Å; L167-V175 HydrophobicContact CB-CG2 4.31Å
168A97.6Very high97Very high0 Ų039.5 Ų39.50%017%0.174CC..Hα-helixtrans-58-54.3178.200000110.7N32 L164 R165 D166 N172 L173 V175N32-A168 WeakPolarHBondContact CA-O 3.39Å; N32-A168 PolarHBondContact OD1-O 3.1Å; L164-A168 PolarHBondContact O-N 2.66Å; R165-A168 WeakPolarHBondContact O-CB 3.39Å; R165-A168 PolarHBondContact O-N 2.99Å; D166-A168 VanDerWaalsContact C-N 3.31Å; D166-A168 PolarHBondContact O-N 3.46Å; A168-N172 WeakPolarHBondContact O-CA 3.4Å; A168-N172 PolarHBondContact O-N 2.79Å; A168-N172 VanDerWaalsContact O-N 3.08Å; A168-L173 WeakPolarHBondContact CA-O 3.26Å; A168-L173 PolarHBondContact O-N 2.68Å; A168-L173 VanDerWaalsContact O-N 3.09Å; A168-V175 HydrophobicContact CB-CB 4.06Å; A168-V175 HydrophobicContact CB-CG2 3.64Å
169K95.6Very high97.2Very high96 Ų9636.7 Ų36.742%0.41716%0.16SC..Hα-helixtrans-70.5-44.5-174.9-57.2-66.4173.6-165.10112.9N32 R165 D166 D202N32-K169 HydrophobicContact CB-CD 4.34Å; N32-K169 WeakPolarHBondContact O-CD 3.14Å; N32-K169 WeakPolarHBondContact O-CE 3.18Å; N32-K169 PolarHBondContact O-NZ 3.08Å; N32-K169 PolarHBondContact OD1-O 3Å; R165-K169 HydrophobicContact CG-CG 4.5Å; R165-K169 WeakPolarHBondContact O-CG 3.49Å; R165-K169 PolarHBondContact O-N 3.46Å; R165-K169 VanDerWaalsContact O-N 3.1Å; D166-K169 PolarHBondContact O-N 3.19Å; K169-D202 WeakPolarHBondContact CE-OD2 3.46Å; K169-D202 IonicContact NZ-OD1 3.92Å; K169-D202 IonicContact NZ-OD2 2.63Å; K169-D202 PolarHBondContact NZ-OD2 3.11Å
170R95.4Very high97.2Very high161 Ų16131.5 Ų31.561%0.60814%0.144SC*.Hα-helixtrans-74.1-35.3-172.4-175.1175179.8180-1.5112.5D166D166-R170 WeakPolarHBondContact O-CB 3.27Å; D166-R170 PolarHBondContact O-N 3.26Å
171Y95.6Very high97.2Very high39 Ų3932.2 Ų32.215%0.15315%0.149CC..Hα-helixtrans-111.88-174.9-57.6-64.6000113.5C120 R127 L167 L173C120-Y171 WeakPolarHBondContact CA-OH 3.34Å; C120-Y171 PolarHBondContact O-OH 3.21Å; C120-Y171 VanDerWaalsContact O-OH 3.05Å; R127-Y171 VanDerWaalsContact NH1-CD1 3.27Å; L167-Y171 HydrophobicContact CD2-CD2 3.65Å; L167-Y171 HydrophobicContact CD2-CE2 3.6Å; L167-Y171 WeakPolarHBondContact O-CB 3.3Å; L167-Y171 PolarHBondContact O-N 3.18Å; L167-Y171 VanDerWaalsContact O-N 3.16Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; Y171-L173 PolarHBondContact O-N 3.39Å
172N95.8Very high96.9Very high40 Ų4035.8 Ų35.821%0.21417%0.172CC..THydrogen-bonded Turntrans53.350.6179.4-166.128.6000112.4N10 T31 N32 A168N10-N172 PolarHBondContact O-ND2 3.19Å; T31-N172 WeakPolarHBondContact CB-O 3.41Å; T31-N172 WeakPolarHBondContact CB-OD1 3.2Å; T31-N172 WeakPolarHBondContact CG2-O 3.33Å; T31-N172 PolarHBondContact OG1-OD1 3.02Å; N32-N172 PolarHBondContact ND2-OD1 3.47Å; N32-N172 VanDerWaalsContact OD1-CA 3.23Å; N32-N172 WeakPolarHBondContact OD1-CA 3.35Å; N32-N172 PolarHBondContact OD1-OD1 2.98Å; A168-N172 WeakPolarHBondContact O-CA 3.4Å; A168-N172 PolarHBondContact O-N 2.79Å; A168-N172 VanDerWaalsContact O-N 3.08Å
173L97.8Very high96.6Very high4 Ų438.6 Ų38.62%0.02118%0.179CC..  trans-108.4149.1-178.8-59.4175.8000110.5N32 I119 L130 K131 V133 A168 Y171 V175N32-L173 PolarHBondContact N-O 3.01Å; N32-L173 VanDerWaalsContact N-O 3.08Å; I119-L173 HydrophobicContact CG2-CD1 4.44Å; L130-L173 HydrophobicContact CB-CD2 4.21Å; L130-L173 HydrophobicContact CD2-CD1 4Å; L130-L173 HydrophobicContact CD2-CD2 4.23Å; L130-L173 HydrophobicContact CG-CD2 3.95Å; L130-L173 WeakPolarHBondContact O-CD2 3.48Å; K131-L173 WeakPolarHBondContact O-CA 3.34Å; V133-L173 HydrophobicContact CG2-CD1 4.02Å; A168-L173 WeakPolarHBondContact CA-O 3.26Å; A168-L173 PolarHBondContact O-N 2.68Å; A168-L173 VanDerWaalsContact O-N 3.09Å; Y171-L173 VanDerWaalsContact C-N 3.34Å; Y171-L173 PolarHBondContact O-N 3.39Å; L173-V175 HydrophobicContact CB-CG2 4.34Å
174C98.1Very high96.2Very high1 Ų138.8 Ų38.81%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-79.3111.4160.4-53.30000108.2F29 Y30 T31 F52 K131 A132 V133F29-C174 HydrophobicContact CB-CB 4.39Å; F29-C174 PolarHBondContact O-SG 2.87Å; Y30-C174 PolarHBondContact O-SG 3.43Å; Y30-C174 VanDerWaalsContact O-SG 3.41Å; T31-C174 VanDerWaalsContact CG2-SG 3.56Å; T31-C174 PolarHBondContact N-SG 3.21Å; F52-C174 HydrophobicContact CZ-CB 4.2Å; K131-C174 PolarHBondContact O-N 3Å; A132-C174 CarbonylContact C-O 3.32Å; A132-C174 WeakPolarHBondContact CA-O 3.11Å; A132-C174 HydrophobicContact CB-CB 3.92Å; A132-C174 WeakPolarHBondContact CB-O 3.41Å; V133-C174 PolarHBondContact N-O 3.2Å
175V98.7Very high95.8Very high1 Ų148.4 Ų48.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-101.2114.6175179.30000108.2E33 F34 T35 V133 L164 L167 A168 L173 V177E33-V175 PolarHBondContact O-N 3.4Å; F34-V175 CarbonylContact C-O 3.57Å; F34-V175 WeakPolarHBondContact CA-O 3.4Å; F34-V175 HydrophobicContact CD2-CB 4.23Å; F34-V175 HydrophobicContact CD2-CG1 3.79Å; F34-V175 HydrophobicContact CE2-CG1 4.23Å; T35-V175 PolarHBondContact N-O 3.09Å; V133-V175 HydrophobicContact CB-CG2 4.47Å; V133-V175 CarbonylContact O-C 3.58Å; V133-V175 WeakPolarHBondContact O-CA 3.45Å; L164-V175 HydrophobicContact CB-CG1 4.16Å; L164-V175 HydrophobicContact CD2-CG1 3.9Å; L167-V175 HydrophobicContact CB-CG2 4.31Å; A168-V175 HydrophobicContact CB-CB 4.06Å; A168-V175 HydrophobicContact CB-CG2 3.64Å; L173-V175 HydrophobicContact CB-CG2 4.34Å; V175-V177 HydrophobicContact CG1-CG1 4.39Å
176V98.7Very high95.4Very high3 Ų351.8 Ų51.82%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-116.6129.5-179.9-173.80000108.6F29 T35 V37 F52 V133 V134 V135F29-V176 HydrophobicContact CB-CG2 4.47Å; F29-V176 HydrophobicContact CD1-CG1 4.5Å; F29-V176 HydrophobicContact CD1-CG2 3.62Å; F29-V176 HydrophobicContact CE1-CG1 4.12Å; F29-V176 HydrophobicContact CE1-CG2 4.07Å; F29-V176 HydrophobicContact CG-CG2 4.13Å; T35-V176 CarbonylContact O-C 3.55Å; T35-V176 WeakPolarHBondContact O-CA 3.46Å; V37-V176 HydrophobicContact CG2-CG1 4.02Å; F52-V176 HydrophobicContact CE1-CG2 4.23Å; V133-V176 PolarHBondContact O-N 3.46Å; V134-V176 CarbonylContact C-O 3.57Å; V134-V176 WeakPolarHBondContact CA-O 3.34Å; V134-V176 HydrophobicContact CG2-CB 4.4Å; V135-V176 PolarHBondContact N-O 3.25Å
177V98.6Very high95Very high0 Ų050.3 Ų50.30%026%0.255CS..EExtended strand (participates in β ladder)trans-128.2145.4177.3-59.20000110.9F34 T35 E36 V37 V135 V138 L164 V175 W197F34-V177 HydrophobicContact CD2-CG2 4.48Å; F34-V177 HydrophobicContact CE2-CB 4.08Å; F34-V177 HydrophobicContact CE2-CG1 3.59Å; F34-V177 HydrophobicContact CE2-CG2 3.37Å; F34-V177 HydrophobicContact CZ-CG1 4.35Å; F34-V177 HydrophobicContact CZ-CG2 3.75Å; T35-V177 PolarHBondContact O-N 3.32Å; E36-V177 WeakPolarHBondContact CA-O 3.46Å; E36-V177 HydrophobicContact CB-CG2 4.23Å; V37-V177 PolarHBondContact N-O 3.4Å; V135-V177 HydrophobicContact CB-CB 4.46Å; V135-V177 HydrophobicContact CB-CG1 3.91Å; V135-V177 HydrophobicContact CG2-CG1 4.06Å; V135-V177 WeakPolarHBondContact O-CA 3.44Å; V138-V177 HydrophobicContact CG1-CB 3.75Å; V138-V177 HydrophobicContact CG1-CG1 3.87Å; V138-V177 HydrophobicContact CG1-CG2 4.48Å; V138-V177 HydrophobicContact CG2-CB 4.18Å; V138-V177 HydrophobicContact CG2-CG2 4.25Å; L164-V177 HydrophobicContact CD1-CG1 4.05Å; L164-V177 HydrophobicContact CD2-CG1 4.36Å; V175-V177 HydrophobicContact CG1-CG1 4.39Å; V177-W197 HydrophobicContact CG2-CH2 4.4Å; V177-W197 HydrophobicContact CG2-CZ2 3.81Å
178V98.5Very high94.6Very high0 Ų056 Ų560%028%0.281CS..EExtended strand (participates in β ladder)trans-102.9127.3177.6-160.20000109.7V37 K45 C49 V135 D136 H137 V138V37-V178 CarbonylContact O-C 3.58Å; V37-V178 WeakPolarHBondContact O-CA 3.35Å; V37-V178 WeakPolarHBondContact O-CG1 3.4Å; K45-V178 HydrophobicContact CB-CG1 3.43Å; K45-V178 VanDerWaalsContact CB-CG1 3.43Å; K45-V178 HydrophobicContact CD-CG1 3.68Å; K45-V178 HydrophobicContact CG-CG1 4.17Å; C49-V178 WeakPolarHBondContact SG-CG2 3.35Å; V135-V178 PolarHBondContact O-N 2.92Å; D136-V178 HydrophobicContact CB-CB 4.32Å; D136-V178 HydrophobicContact CB-CG2 3.75Å; D136-V178 VanDerWaalsContact OD1-CB 3.3Å; D136-V178 WeakPolarHBondContact OD1-CB 3.48Å; D136-V178 WeakPolarHBondContact OD1-CG2 3.34Å; H137-V178 CarbonylContact C-O 3.59Å; H137-V178 WeakPolarHBondContact CA-O 3.44Å; H137-V178 VanDerWaalsContact CD2-CB 3.46Å; H137-V178 WeakPolarHBondContact CD2-CB 3.3Å; H137-V178 WeakPolarHBondContact CD2-CG1 3.39Å; H137-V178 VanDerWaalsContact CG-O 3.25Å; H137-V178 PolarHBondContact ND1-O 3.32Å; H137-V178 WeakPolarHBondContact NE2-CG1 3.46Å; V138-V178 WeakPolarHBondContact CG2-O 3Å; V138-V178 PolarHBondContact N-O 2.92Å
179N97.4Very high94.4Very high0 Ų058.4 Ų58.40%029%0.294CS..EExtended strand (participates in β ladder)trans-124.2153.9-179.9-166.413.9000111.2E36 V37 S38 G39 K45 H137 V138 S139 S192 L193E36-N179 HydrophobicContact CG-CB 4.11Å; E36-N179 VanDerWaalsContact OE1-CB 3.31Å; E36-N179 WeakPolarHBondContact OE1-CB 3.37Å; E36-N179 PolarHBondContact OE1-ND2 2.81Å; V37-N179 PolarHBondContact O-N 3.42Å; S38-N179 VanDerWaalsContact CA-O 3.27Å; S38-N179 WeakPolarHBondContact CA-O 3.07Å; G39-N179 PolarHBondContact N-O 2.97Å; K45-N179 VanDerWaalsContact CE-O 3.3Å; K45-N179 WeakPolarHBondContact CE-O 3.36Å; H137-N179 VanDerWaalsContact CE1-CA 3.4Å; H137-N179 WeakPolarHBondContact CE1-CA 3.31Å; H137-N179 PolarHBondContact CE1-O 2.85Å; V138-N179 HydrophobicContact CG2-CB 4.2Å; S139-N179 WeakPolarHBondContact OG-CA 3.46Å; S139-N179 PolarHBondContact OG-OD1 3.49Å; N179-S192 PolarHBondContact OD1-OG 3.2Å; N179-S192 VanDerWaalsContact OD1-OG 3.14Å; N179-L193 WeakPolarHBondContact OD1-CG 3.47Å
180N96Very high94.1Very high51 Ų5158.8 Ų58.827%0.27330%0.297SS..EExtended strand (participates in β ladder)trans-79.1157.1177.5-81.1-30.7000107.6G39 H137 S139 P191 S192G39-N180 CarbonylContact O-C 3.54Å; H137-N180 PolarHBondContact CE1-N 3.27Å; H137-N180 PolarHBondContact CE1-OD1 2.97Å; S139-N180 PolarHBondContact OG-N 3.29Å; N180-P191 CarbonylContact O-C 3.56Å; N180-P191 WeakPolarHBondContact O-CA 3.47Å; N180-S192 WeakPolarHBondContact CB-OG 3.49Å; N180-S192 PolarHBondContact O-N 3.36Å; N180-S192 PolarHBondContact O-OG 2.99Å
181A94.6Very high94Very high14 Ų1451.8 Ų51.812%0.11627%0.273CS..EExtended strand (participates in β ladder)trans-110.6143.6162.100000109.4G39 L189 E190 L206G39-A181 VanDerWaalsContact CA-CB 3.47Å; G39-A181 PolarHBondContact O-N 2.75Å; A181-L189 HydrophobicContact CB-CB 4.31Å; A181-L189 HydrophobicContact CB-CD2 4.44Å; A181-E190 CarbonylContact C-O 3.48Å; A181-E190 WeakPolarHBondContact CA-O 3.31Å; A181-E190 WeakPolarHBondContact CB-O 3.44Å; A181-L206 HydrophobicContact CB-CD1 4.04Å
182T90.6Very high93.9Very high76 Ų7651.3 Ų51.347%0.46628%0.275SS..EExtended strand (participates in β ladder)trans-113.1146171.846.30000108.6E190T182-E190 PolarHBondContact N-O 3.46Å; T182-E190 PolarHBondContact O-N 2.88Å; T182-E190 PolarHBondContact OG1-O 3.19Å
183E90.9Very high93.8Very high141 Ų14149.7 Ų49.766%0.65927%0.267SS*.EExtended strand (participates in β ladder)trans-83.1131.1174.5-164.7173.1171.500109.6G187 E188 L189E183-G187 WeakPolarHBondContact OE1-CA 3.42Å; E183-E188 CarbonylContact C-O 3.56Å; E183-E188 WeakPolarHBondContact CA-O 3.42Å; E183-L189 HydrophobicContact CB-CD2 4.14Å
184T89.5Confident93.4Very high41 Ų4150.7 Ų50.725%0.25228%0.278SS..  trans-77.1169.6174.1610000110.6N186 G187 E188 E190T184-N186 PolarHBondContact O-N 3.39Å; T184-N186 VanDerWaalsContact O-N 3.1Å; T184-G187 PolarHBondContact O-N 2.65Å; T184-E188 WeakPolarHBondContact CG2-O 3.19Å; T184-E188 PolarHBondContact N-O 3.37Å; T184-E188 WeakPolarHBondContact OG1-CB 3.49Å; T184-E188 PolarHBondContact OG1-N 3.39Å; T184-E188 VanDerWaalsContact OG1-N 3.11Å; T184-E188 PolarHBondContact OG1-O 3.29Å; T184-E190 HydrophobicContact CG2-CB 4.31Å; T184-E190 HydrophobicContact CG2-CG 3.71Å
185E89.3Confident93Very high202 Ų20255.3 Ų55.394%0.94431%0.308SS*.THydrogen-bonded Turntrans-58.5-23.6175.1-63.1-177.6171.600113.1G187E185-G187 VanDerWaalsContact C-N 3.34Å
186N90.1Very high92.6Very high144 Ų14461.9 Ų61.977%0.7733%0.332SS*.THydrogen-bonded Turntrans-87.61.1178-63.3-27.3000113.5T184 E188T184-N186 PolarHBondContact O-N 3.39Å; T184-N186 VanDerWaalsContact O-N 3.1Å; N186-E188 VanDerWaalsContact C-N 3.33Å
187G88.4Confident92.5Very high41 Ų4161.7 Ų61.742%0.42333%0.332SS..SBendtrans81.58-176.700000114.6E183 T184 E185E183-G187 WeakPolarHBondContact OE1-CA 3.42Å; T184-G187 PolarHBondContact O-N 2.65Å; E185-G187 VanDerWaalsContact C-N 3.34Å
188E89.7Confident92.2Very high121 Ų12163.1 Ų63.157%0.56534%0.34SS*.  trans-86.7138.3177.2-60.8-172.9167.400110.9E183 T184 N186E183-E188 CarbonylContact C-O 3.56Å; E183-E188 WeakPolarHBondContact CA-O 3.42Å; T184-E188 WeakPolarHBondContact CG2-O 3.19Å; T184-E188 PolarHBondContact N-O 3.37Å; T184-E188 WeakPolarHBondContact OG1-CB 3.49Å; T184-E188 PolarHBondContact OG1-N 3.39Å; T184-E188 VanDerWaalsContact OG1-N 3.11Å; T184-E188 PolarHBondContact OG1-O 3.29Å; N186-E188 VanDerWaalsContact C-N 3.33Å
189L92.2Very high92Very high51 Ų5166 Ų6627%0.26736%0.361SS..EExtended strand (participates in β ladder)trans-84.9125.9176.2-70.4173.5000111.2P40 A181 E183 L206 R208P40-L189 HydrophobicContact CG-CD1 4.43Å; A181-L189 HydrophobicContact CB-CB 4.31Å; A181-L189 HydrophobicContact CB-CD2 4.44Å; E183-L189 HydrophobicContact CB-CD2 4.14Å; L189-L206 HydrophobicContact CB-CD1 4.3Å; L189-L206 HydrophobicContact CB-CD2 4.23Å; L189-R208 HydrophobicContact CD1-CB 4.27Å
190E91.2Very high91.9Very high104 Ų10466.4 Ų66.449%0.48636%0.362SS..EExtended strand (participates in β ladder)trans-127.3149.7176.9-68.5-169.2157.200112.2A181 T182 T184 S192A181-E190 CarbonylContact C-O 3.48Å; A181-E190 WeakPolarHBondContact CA-O 3.31Å; A181-E190 WeakPolarHBondContact CB-O 3.44Å; T182-E190 PolarHBondContact N-O 3.46Å; T182-E190 PolarHBondContact O-N 2.88Å; T182-E190 PolarHBondContact OG1-O 3.19Å; T184-E190 HydrophobicContact CG2-CB 4.31Å; T184-E190 HydrophobicContact CG2-CG 3.71Å; E190-S192 PolarHBondContact O-N 3.39Å
191P93.3Very high92Very high13 Ų1364 Ų648%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-56.9131.7174.6-22.532000113.1N180 L193 G194N180-P191 CarbonylContact O-C 3.56Å; N180-P191 WeakPolarHBondContact O-CA 3.47Å; P191-L193 PolarHBondContact O-N 3.16Å; P191-L193 VanDerWaalsContact O-N 3.09Å; P191-G194 PolarHBondContact O-N 3.49Å
192S93Very high92.1Very high30 Ų3064 Ų6421%0.2135%0.347CS..THydrogen-bonded Turntrans-70.5-12.2-167.772.10000115.4N179 N180 E190 G194N179-S192 PolarHBondContact OD1-OG 3.2Å; N179-S192 VanDerWaalsContact OD1-OG 3.14Å; N180-S192 WeakPolarHBondContact CB-OG 3.49Å; N180-S192 PolarHBondContact O-N 3.36Å; N180-S192 PolarHBondContact O-OG 2.99Å; E190-S192 PolarHBondContact O-N 3.39Å; S192-G194 VanDerWaalsContact C-N 3.33Å
193L93.7Very high92.4Very high6 Ų660.4 Ų60.43%0.03133%0.326CS..THydrogen-bonded Turntrans-90.81.3-177.6-67.7177000112.8V138 L142 L146 M157 N179 P191 W197V138-L193 HydrophobicContact CG2-CD1 4.03Å; L142-L193 HydrophobicContact CB-CD2 4.06Å; L142-L193 HydrophobicContact CD1-CD1 4.16Å; L146-L193 HydrophobicContact CD1-CD2 4.05Å; M157-L193 HydrophobicContact SD-CB 3.82Å; M157-L193 HydrophobicContact SD-CD2 3.97Å; M157-L193 HydrophobicContact SD-CG 4.32Å; N179-L193 WeakPolarHBondContact OD1-CG 3.47Å; P191-L193 PolarHBondContact O-N 3.16Å; P191-L193 VanDerWaalsContact O-N 3.09Å; L193-W197 HydrophobicContact CB-CB 3.63Å; L193-W197 HydrophobicContact CB-CD2 4.12Å; L193-W197 HydrophobicContact CB-CG 3.58Å; L193-W197 HydrophobicContact CD1-CD2 3.59Å; L193-W197 HydrophobicContact CD1-CE3 3.84Å; L193-W197 HydrophobicContact CD1-CG 3.98Å; L193-W197 HydrophobicContact CD1-CH2 4.3Å; L193-W197 HydrophobicContact CD1-CZ2 4.07Å; L193-W197 HydrophobicContact CD1-CZ3 4.19Å; L193-W197 HydrophobicContact CG-CG 4.44Å
194G90Very high92.7Very high25 Ų2555.6 Ų55.626%0.25830%0.301SS..Hα-helixtrans73.9-174.8170.400000115.3P191 S192 W196 W197 T198P191-G194 PolarHBondContact O-N 3.49Å; S192-G194 VanDerWaalsContact C-N 3.33Å; G194-W196 PolarHBondContact O-N 3.47Å; G194-W197 PolarHBondContact O-N 3.01Å; G194-T198 WeakPolarHBondContact O-CB 3.13Å; G194-T198 PolarHBondContact O-N 3.39Å
195P89.4Confident93.1Very high98 Ų9853.6 Ų53.664%0.63629%0.289SS*.Hα-helixtrans-67.3-35.4-166.822.6-33.3000113.9W197 T198 S199P195-W197 VanDerWaalsContact C-N 3.33Å; P195-W197 PolarHBondContact O-N 3.3Å; P195-T198 PolarHBondContact O-N 2.9Å; P195-S199 PolarHBondContact O-N 3.09Å; P195-S199 VanDerWaalsContact O-N 3.14Å
196W90.4Very high93.5Very high138 Ų13844.6 Ų44.652%0.52325%0.247SC..Hα-helixtrans-60-44.4179-60.7102.9000111.8M154 M157 M158 G194 S199M154-W196 HydrophobicContact CG-CB 4.38Å; M154-W196 HydrophobicContact CG-CG 4.03Å; M154-W196 HydrophobicContact SD-CD2 3.85Å; M154-W196 VanDerWaalsContact SD-CE2 3.54Å; M154-W196 HydrophobicContact SD-CG 3.74Å; M154-W196 HydrophobicContact SD-CZ2 4.25Å; M154-W196 PolarHBondContact SD-NE1 3.14Å; M157-W196 HydrophobicContact CE-CB 4.02Å; M158-W196 HydrophobicContact CE-CE3 4.22Å; M158-W196 HydrophobicContact CG-CB 4.18Å; M158-W196 HydrophobicContact SD-CB 4.12Å; M158-W196 HydrophobicContact SD-CD2 4.37Å; M158-W196 HydrophobicContact SD-CE3 3.99Å; M158-W196 HydrophobicContact SD-CG 4.46Å; G194-W196 PolarHBondContact O-N 3.47Å; W196-S199 PolarHBondContact O-OG 3.28Å
197W94.8Very high93.9Very high0 Ų037.7 Ų37.70%021%0.211CC..Hα-helixtrans-67.3-50173.8172-89.6000111.6F34 E36 V138 L142 M157 A161 L164 V177 L193 G194 P195 S199 I200 P201F34-W197 AromaticContact CZ-CH2 3.88Å; F34-W197 HydrophobicContact CZ-CH2 3.88Å; F34-W197 AromaticContact CZ-CZ2 3.79Å; F34-W197 HydrophobicContact CZ-CZ2 3.79Å; E36-W197 VanDerWaalsContact CD-NE1 3.32Å; E36-W197 VanDerWaalsContact OE1-CD1 3.3Å; E36-W197 PolarHBondContact OE1-NE1 2.82Å; V138-W197 HydrophobicContact CB-CH2 4.26Å; V138-W197 HydrophobicContact CG1-CH2 4.32Å; V138-W197 HydrophobicContact CG2-CH2 3.93Å; V138-W197 HydrophobicContact CG2-CZ2 3.79Å; L142-W197 HydrophobicContact CD1-CE3 4.14Å; L142-W197 HydrophobicContact CD1-CH2 4.03Å; L142-W197 HydrophobicContact CD1-CZ3 3.48Å; L142-W197 VanDerWaalsContact CD1-CZ3 3.48Å; M157-W197 HydrophobicContact CE-CB 4.04Å; M157-W197 HydrophobicContact CG-CE3 3.85Å; M157-W197 HydrophobicContact SD-CB 3.99Å; M157-W197 HydrophobicContact SD-CE3 4.48Å; A161-W197 HydrophobicContact CB-CD2 4.46Å; A161-W197 HydrophobicContact CB-CE3 3.56Å; A161-W197 HydrophobicContact CB-CH2 4.4Å; A161-W197 HydrophobicContact CB-CZ3 3.52Å; L164-W197 HydrophobicContact CD1-CH2 4Å; V177-W197 HydrophobicContact CG2-CH2 4.4Å; V177-W197 HydrophobicContact CG2-CZ2 3.81Å; L193-W197 HydrophobicContact CB-CB 3.63Å; L193-W197 HydrophobicContact CB-CD2 4.12Å; L193-W197 HydrophobicContact CB-CG 3.58Å; L193-W197 HydrophobicContact CD1-CD2 3.59Å; L193-W197 HydrophobicContact CD1-CE3 3.84Å; L193-W197 HydrophobicContact CD1-CG 3.98Å; L193-W197 HydrophobicContact CD1-CH2 4.3Å; L193-W197 HydrophobicContact CD1-CZ2 4.07Å; L193-W197 HydrophobicContact CD1-CZ3 4.19Å; L193-W197 HydrophobicContact CG-CG 4.44Å; G194-W197 PolarHBondContact O-N 3.01Å; P195-W197 VanDerWaalsContact C-N 3.33Å; P195-W197 PolarHBondContact O-N 3.3Å; W197-S199 PolarHBondContact O-N 2.57Å; W197-I200 WeakPolarHBondContact O-CB 3.3Å; W197-I200 PolarHBondContact O-N 3.31Å; W197-P201 WeakPolarHBondContact O-CD 3.37Å
198T93.5Very high94.2Very high29 Ų2940.9 Ų40.918%0.17821%0.21CC..Hα-helixtrans-56.1-24.7-175.9-92.10000113.9G194 P195 I200 R204 R221G194-T198 WeakPolarHBondContact O-CB 3.13Å; G194-T198 PolarHBondContact O-N 3.39Å; P195-T198 PolarHBondContact O-N 2.9Å; T198-I200 PolarHBondContact O-N 2.87Å; T198-R204 VanDerWaalsContact CG2-CZ 3.47Å; T198-R204 PolarHBondContact OG1-NH1 2.87Å; T198-R221 PolarHBondContact O-NH1 2.74Å
199S93.2Very high94.5Very high62 Ų6238.1 Ų38.143%0.43420%0.203SC..THydrogen-bonded Turntrans-68.3-17.7174.875.50000114.4R165 P195 W196 W197 R221R165-S199 PolarHBondContact NH2-O 3.16Å; P195-S199 PolarHBondContact O-N 3.09Å; P195-S199 VanDerWaalsContact O-N 3.14Å; W196-S199 PolarHBondContact O-OG 3.28Å; W197-S199 PolarHBondContact O-N 2.57Å; S199-R221 PolarHBondContact O-NH1 2.96Å
200I96.5Very high94.5Very high7 Ų739.3 Ų39.34%0.03621%0.212CC..SBendtrans-101-36.4-166.3-54174.7000114.8F34 A161 V162 R165 W197 T198 D202F34-I200 HydrophobicContact CD1-CG2 4.16Å; F34-I200 HydrophobicContact CE1-CG2 4.07Å; A161-I200 HydrophobicContact CB-CB 4.13Å; A161-I200 HydrophobicContact CB-CD1 3.44Å; A161-I200 VanDerWaalsContact CB-CD1 3.44Å; A161-I200 HydrophobicContact CB-CG1 4.36Å; A161-I200 HydrophobicContact CB-CG2 3.89Å; V162-I200 HydrophobicContact CG2-CD1 4.28Å; R165-I200 HydrophobicContact CB-CG2 4.3Å; R165-I200 PolarHBondContact NE-O 2.77Å; R165-I200 VanDerWaalsContact NH2-CA 3.28Å; R165-I200 PolarHBondContact NH2-O 2.91Å; W197-I200 WeakPolarHBondContact O-CB 3.3Å; W197-I200 PolarHBondContact O-N 3.31Å; T198-I200 PolarHBondContact O-N 2.87Å; I200-D202 PolarHBondContact O-N 3.02Å
201P97.5Very high94.6Very high0 Ų040 Ų400%022%0.219CC..  trans-60.7136.8170.3-26.534.7000111.8F34 E36 W197 R204 R221F34-P201 HydrophobicContact CD1-CB 4.27Å; F34-P201 HydrophobicContact CD1-CG 4.27Å; F34-P201 HydrophobicContact CE1-CB 4.29Å; F34-P201 HydrophobicContact CE1-CG 3.8Å; F34-P201 HydrophobicContact CZ-CG 4.13Å; F34-P201 CarbonylContact O-C 3.58Å; E36-P201 HydrophobicContact CB-CB 3.8Å; E36-P201 HydrophobicContact CB-CG 3.66Å; W197-P201 WeakPolarHBondContact O-CD 3.37Å; P201-R204 HydrophobicContact CB-CG 3.73Å; P201-R204 HydrophobicContact CG-CG 4.31Å; P201-R221 PolarHBondContact O-NH1 3.25Å
202D97.1Very high94.6Very high14 Ų1446.6 Ų46.68%0.07525%0.254CS..SBendtrans-70.6-39.2173.4-64.8-47.7000110.4E33 F34 R165 K169 I200E33-D202 HydrophobicContact CB-CB 4.45Å; F34-D202 PolarHBondContact N-OD2 2.79Å; F34-D202 PolarHBondContact O-N 2.94Å; R165-D202 IonicContact NE-OD1 2.7Å; K169-D202 WeakPolarHBondContact CE-OD2 3.46Å; K169-D202 IonicContact NZ-OD1 3.92Å; K169-D202 IonicContact NZ-OD2 2.63Å; K169-D202 PolarHBondContact NZ-OD2 3.11Å; I200-D202 PolarHBondContact O-N 3.02Å
203T97.4Very high94.7Very high1 Ų148.6 Ų48.61%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-126138.5178.2-64.30000109.6L25 F34 T35 E36 L219 R221L25-T203 HydrophobicContact CD2-CG2 4.26Å; F34-T203 PolarHBondContact O-N 2.8Å; T35-T203 CarbonylContact C-O 3.52Å; T35-T203 WeakPolarHBondContact CA-O 3.4Å; T35-T203 HydrophobicContact CG2-CG2 3.96Å; E36-T203 PolarHBondContact N-O 3.48Å; T203-L219 HydrophobicContact CG2-CD1 3.82Å; T203-R221 CarbonylContact C-O 3.58Å; T203-R221 VanDerWaalsContact CA-O 3.29Å; T203-R221 WeakPolarHBondContact CA-O 3.36Å
204R97.7Very high94.8Very high40 Ų4050.5 Ų50.515%0.15127%0.272CS..EExtended strand (participates in β ladder)trans-132.1129.6178.4-62.2-171.9-63.5142.71.8111E36 T198 P201 L220 R221E36-R204 HydrophobicContact CB-CG 4.27Å; E36-R204 CarbonylContact O-C 3.57Å; E36-R204 WeakPolarHBondContact O-CA 3.49Å; E36-R204 VanDerWaalsContact OE2-CD 3.28Å; E36-R204 WeakPolarHBondContact OE2-CD 2.93Å; T198-R204 VanDerWaalsContact CG2-CZ 3.47Å; T198-R204 PolarHBondContact OG1-NH1 2.87Å; P201-R204 HydrophobicContact CB-CG 3.73Å; P201-R204 HydrophobicContact CG-CG 4.31Å; R204-L220 HydrophobicContact CB-CB 4.14Å; R204-L220 PolarHBondContact O-N 3.32Å; R204-R221 HydrophobicContact CB-CB 3.96Å; R204-R221 HydrophobicContact CG-CB 4.12Å; R204-R221 PolarHBondContact N-O 3.32Å; R204-R221 PolarHBondContact O-N 3.09Å
205L97.7Very high95.2Very high0 Ų050.3 Ų50.30%026%0.264CS..EExtended strand (participates in β ladder)trans-115.8139176.5-68.5157.5000109.2Y21 M24 L25 F29 T35 E36 V37 S38 Q218 L219Y21-L205 HydrophobicContact CE1-CD1 4.03Å; Y21-L205 HydrophobicContact CE1-CD2 4.25Å; Y21-L205 WeakPolarHBondContact OH-CD1 3.5Å; M24-L205 HydrophobicContact CE-CD2 3.57Å; L25-L205 HydrophobicContact CD1-CD1 4.36Å; L25-L205 HydrophobicContact CD2-CD1 4.32Å; L25-L205 HydrophobicContact CD2-CD2 4.12Å; F29-L205 HydrophobicContact CE1-CD1 4.26Å; F29-L205 HydrophobicContact CZ-CD1 4.5Å; T35-L205 HydrophobicContact CG2-CD1 4.13Å; E36-L205 PolarHBondContact O-N 2.96Å; V37-L205 HydrophobicContact CG2-CD1 4.12Å; S38-L205 PolarHBondContact N-O 3.06Å; S38-L205 PolarHBondContact OG-O 2.89Å; L205-Q218 CarbonylContact C-O 3.5Å; L205-Q218 WeakPolarHBondContact CA-O 3.21Å; L205-L219 HydrophobicContact CD2-CB 4.42Å; L205-L219 HydrophobicContact CD2-CD1 3.87Å; L205-L219 HydrophobicContact CG-CD1 4.4Å
206L97.5Very high95.5Very high12 Ų1246 Ų466%0.06324%0.236CC..EExtended strand (participates in β ladder)trans-113.2116.3168179.265.2000108.5S38 A181 L189 A217 Q218 L220S38-L206 CarbonylContact O-C 3.55Å; S38-L206 WeakPolarHBondContact O-CA 3.42Å; A181-L206 HydrophobicContact CB-CD1 4.04Å; L189-L206 HydrophobicContact CB-CD1 4.3Å; L189-L206 HydrophobicContact CB-CD2 4.23Å; L206-A217 CarbonylContact O-C 3.55Å; L206-A217 WeakPolarHBondContact O-CA 3.38Å; L206-Q218 PolarHBondContact N-O 2.8Å; L206-Q218 PolarHBondContact O-N 3.17Å; L206-L220 HydrophobicContact CB-CD1 3.71Å; L206-L220 HydrophobicContact CB-CD2 4.01Å; L206-L220 HydrophobicContact CB-CG 3.77Å; L206-L220 HydrophobicContact CD2-CD1 4.47Å; L206-L220 HydrophobicContact CD2-CD2 4.38Å
207V97.3Very high95.9Very high0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-109.5132.8-179.6-164.40000109.2V37 S38 G39 P40 G43 K45 S216 A217 F233V37-V207 HydrophobicContact CG1-CG2 3.59Å; S38-V207 PolarHBondContact O-N 2.95Å; G39-V207 WeakPolarHBondContact CA-O 3.44Å; P40-V207 WeakPolarHBondContact CD-O 3.29Å; G43-V207 WeakPolarHBondContact O-CG1 3.41Å; K45-V207 HydrophobicContact CG-CB 4.21Å; V207-S216 CarbonylContact C-O 3.45Å; V207-S216 VanDerWaalsContact CA-O 3.26Å; V207-S216 WeakPolarHBondContact CA-O 3.1Å; V207-A217 HydrophobicContact CG1-CB 4.4Å; V207-A217 HydrophobicContact CG2-CB 4.05Å; V207-F233 HydrophobicContact CG1-CE1 3.99Å; V207-F233 HydrophobicContact CG1-CZ 3.63Å
208R95.4Very high96Very high107 Ų10742.4 Ų42.440%0.40423%0.225SC..EExtended strand (participates in β ladder)trans-142.7148.1-178.362-173.2179.498-2.6111.9L189 F215 S216L189-R208 HydrophobicContact CD1-CB 4.27Å; R208-F215 CarbonylContact O-C 3.53Å; R208-F215 WeakPolarHBondContact O-CA 3.26Å; R208-S216 PolarHBondContact N-O 3.12Å; R208-S216 PolarHBondContact O-N 2.94Å
209P95Very high96.2Very high64 Ų6441 Ų4142%0.41622%0.216SC..EExtended strand (participates in β ladder)trans-65.7146.6165.530.7-33.2000109.8F215P209-F215 HydrophobicContact CB-CD1 4.26Å; P209-F215 HydrophobicContact CB-CE1 4.28Å
210V94Very high96.3Very high76 Ų7640.5 Ų40.546%0.46121%0.209SC..EExtended strand (participates in β ladder)trans-118.7-43176.2179.40000110L214V210-L214 HydrophobicContact CB-CD2 4.27Å; V210-L214 HydrophobicContact CB-CG 4.22Å; V210-L214 HydrophobicContact CG1-CD2 4.12Å; V210-L214 PolarHBondContact N-O 2.88Å
211D93.3Very high96.3Very high119 Ų11944.1 Ų44.164%0.63622%0.222SC*.EExtended strand (participates in β ladder)trans-155.1-174.5177.9-154.4-18000109.3N213 L214D211-N213 PolarHBondContact O-N 3.16Å; D211-L214 HydrophobicContact CB-CB 4Å; D211-L214 HydrophobicContact CB-CD2 4.26Å; D211-L214 PolarHBondContact N-O 2.85Å; D211-L214 PolarHBondContact O-N 3.04Å
212D92.4Very high96.1Very high151 Ų15145 Ų4581%0.80723%0.228SC*.THydrogen-bonded Turntrans-56.8119.7175.6-171.832.1000111.6L214D212-L214 PolarHBondContact O-N 3.49Å
213N94.7Very high95.6Very high72 Ų7248.7 Ų48.739%0.38525%0.251SS..THydrogen-bonded Turntrans49.722.7-172.5-162.226.3000115.2D211 S234 I235D211-N213 PolarHBondContact O-N 3.16Å; N213-S234 WeakPolarHBondContact O-CA 3.4Å; N213-S234 WeakPolarHBondContact O-CB 3.33Å; N213-I235 PolarHBondContact ND2-O 3.4Å; N213-I235 PolarHBondContact OD1-N 2.82Å; N213-I235 VanDerWaalsContact OD1-N 3.09Å; N213-I235 PolarHBondContact OD1-O 3.16Å
214L97Very high95.2Very high46 Ų4652 Ų5224%0.24126%0.263CS..EExtended strand (participates in β ladder)trans-118.1125.6175.8-175.366.4000110.1V210 D211 D212 P243V210-L214 HydrophobicContact CB-CD2 4.27Å; V210-L214 HydrophobicContact CB-CG 4.22Å; V210-L214 HydrophobicContact CG1-CD2 4.12Å; V210-L214 PolarHBondContact N-O 2.88Å; D211-L214 HydrophobicContact CB-CB 4Å; D211-L214 HydrophobicContact CB-CD2 4.26Å; D211-L214 PolarHBondContact N-O 2.85Å; D211-L214 PolarHBondContact O-N 3.04Å; D212-L214 PolarHBondContact O-N 3.49Å; L214-P243 HydrophobicContact CD1-CB 3.99Å; L214-P243 HydrophobicContact CD1-CG 3.53Å
215F97.3Very high94.7Very high20 Ų2050.5 Ų50.59%0.08826%0.26CS..EExtended strand (participates in β ladder)trans-125.4156.9-177-54.4-87.1000110.3G42 R208 P209 T232 F233 I235G42-F215 VanDerWaalsContact O-CE1 3.29Å; G42-F215 WeakPolarHBondContact O-CE1 3.35Å; R208-F215 CarbonylContact O-C 3.53Å; R208-F215 WeakPolarHBondContact O-CA 3.26Å; P209-F215 HydrophobicContact CB-CD1 4.26Å; P209-F215 HydrophobicContact CB-CE1 4.28Å; F215-T232 CarbonylContact O-C 3.59Å; F215-T232 WeakPolarHBondContact O-CA 3.13Å; F215-F233 HydrophobicContact CB-CD1 4.25Å; F215-F233 HydrophobicContact CB-CD2 3.92Å; F215-F233 HydrophobicContact CB-CE1 3.77Å; F215-F233 HydrophobicContact CB-CE2 3.43Å; F215-F233 VanDerWaalsContact CB-CE2 3.43Å; F215-F233 HydrophobicContact CB-CG 4.33Å; F215-F233 HydrophobicContact CB-CZ 3.35Å; F215-F233 HydrophobicContact CD2-CD2 4.09Å; F215-F233 AromaticContact CD2-CE2 3.8Å; F215-F233 HydrophobicContact CD2-CE2 3.8Å; F215-F233 HydrophobicContact CG-CD2 4.37Å; F215-F233 AromaticContact CG-CE2 3.77Å; F215-F233 HydrophobicContact CG-CE2 3.77Å; F215-F233 HydrophobicContact CG-CZ 4.07Å; F215-F233 PolarHBondContact N-O 3.11Å; F215-F233 PolarHBondContact O-N 2.91Å; F215-I235 HydrophobicContact CD2-CD1 3.91Å; F215-I235 HydrophobicContact CD2-CG1 3.98Å; F215-I235 HydrophobicContact CE2-CB 4.43Å; F215-I235 HydrophobicContact CE2-CD1 3.42Å; F215-I235 VanDerWaalsContact CE2-CD1 3.42Å; F215-I235 HydrophobicContact CE2-CG1 3.69Å; F215-I235 HydrophobicContact CZ-CD1 3.83Å
216S96.9Very high94.2Very high7 Ų755.8 Ų55.85%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-123.5134.9170.2-179.90000109.4V207 R208 V231V207-S216 CarbonylContact C-O 3.45Å; V207-S216 VanDerWaalsContact CA-O 3.26Å; V207-S216 WeakPolarHBondContact CA-O 3.1Å; R208-S216 PolarHBondContact N-O 3.12Å; R208-S216 PolarHBondContact O-N 2.94Å; S216-V231 CarbonylContact C-O 3.51Å; S216-V231 WeakPolarHBondContact CA-O 3.36Å
217A97.6Very high93.9Very high0 Ų058.5 Ų58.50%031%0.307CS..EExtended strand (participates in β ladder)trans-113123.3165.700000109.6Y21 L206 V207 S230 V231 F233Y21-A217 HydrophobicContact CD2-CB 4.23Å; Y21-A217 HydrophobicContact CE2-CB 3.3Å; Y21-A217 VanDerWaalsContact OH-CB 3.29Å; Y21-A217 WeakPolarHBondContact OH-CB 3.36Å; L206-A217 CarbonylContact O-C 3.55Å; L206-A217 WeakPolarHBondContact O-CA 3.38Å; V207-A217 HydrophobicContact CG1-CB 4.4Å; V207-A217 HydrophobicContact CG2-CB 4.05Å; A217-S230 CarbonylContact O-C 3.58Å; A217-S230 VanDerWaalsContact O-CA 3.22Å; A217-S230 WeakPolarHBondContact O-CA 3.31Å; A217-V231 HydrophobicContact CB-CG1 3.99Å; A217-V231 PolarHBondContact N-O 2.67Å; A217-V231 PolarHBondContact O-N 2.83Å; A217-F233 HydrophobicContact CB-CE1 3.9Å
218Q97Very high93.6Very high63 Ų6360.6 Ų60.629%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-108.5135.4177.1-172.3-179.315.500110.3L205 L206 L220 N229L205-Q218 CarbonylContact C-O 3.5Å; L205-Q218 WeakPolarHBondContact CA-O 3.21Å; L206-Q218 PolarHBondContact N-O 2.8Å; L206-Q218 PolarHBondContact O-N 3.17Å; Q218-L220 HydrophobicContact CG-CD2 4.29Å; Q218-L220 PolarHBondContact O-N 3.26Å; Q218-N229 WeakPolarHBondContact CA-O 3.5Å
219L97.3Very high93.4Very high0 Ų059.4 Ų59.40%033%0.33CS..EExtended strand (participates in β ladder)trans-83.1103.4174.4-174.164.5000110.4M24 L25 T203 L205 R221 A225 G228 N229M24-L219 HydrophobicContact CE-CB 4.39Å; M24-L219 HydrophobicContact CG-CB 4.41Å; M24-L219 HydrophobicContact SD-CB 4.15Å; L25-L219 HydrophobicContact CD2-CD1 4Å; T203-L219 HydrophobicContact CG2-CD1 3.82Å; L205-L219 HydrophobicContact CD2-CB 4.42Å; L205-L219 HydrophobicContact CD2-CD1 3.87Å; L205-L219 HydrophobicContact CG-CD1 4.4Å; L219-R221 WeakPolarHBondContact CD1-O 3.49Å; L219-A225 HydrophobicContact CD2-CB 3.67Å; L219-G228 PolarHBondContact O-N 3.25Å; L219-N229 PolarHBondContact N-O 2.79Å
220L95.8Very high93.5Very high52 Ų5260 Ų6027%0.27234%0.336SS..EExtended strand (participates in β ladder)trans-81.3-32.6-179.5-61.2-171.1000113R204 L206 Q218R204-L220 HydrophobicContact CB-CB 4.14Å; R204-L220 PolarHBondContact O-N 3.32Å; L206-L220 HydrophobicContact CB-CD1 3.71Å; L206-L220 HydrophobicContact CB-CD2 4.01Å; L206-L220 HydrophobicContact CB-CG 3.77Å; L206-L220 HydrophobicContact CD2-CD1 4.47Å; L206-L220 HydrophobicContact CD2-CD2 4.38Å; Q218-L220 HydrophobicContact CG-CD2 4.29Å; Q218-L220 PolarHBondContact O-N 3.26Å
221R95.9Very high93.6Very high82 Ų8256.7 Ų56.731%0.30932%0.316SS..EExtended strand (participates in β ladder)trans-150.6139180-175.9-178.8-179.2176.80.3109.4T198 S199 P201 T203 R204 L219 C227T198-R221 PolarHBondContact O-NH1 2.74Å; S199-R221 PolarHBondContact O-NH1 2.96Å; P201-R221 PolarHBondContact O-NH1 3.25Å; T203-R221 CarbonylContact C-O 3.58Å; T203-R221 VanDerWaalsContact CA-O 3.29Å; T203-R221 WeakPolarHBondContact CA-O 3.36Å; R204-R221 HydrophobicContact CB-CB 3.96Å; R204-R221 HydrophobicContact CG-CB 4.12Å; R204-R221 PolarHBondContact N-O 3.32Å; R204-R221 PolarHBondContact O-N 3.09Å; L219-R221 WeakPolarHBondContact CD1-O 3.49Å; R221-C227 VanDerWaalsContact CA-SG 3.56Å
222S94.2Very high93.8Very high18 Ų1853.8 Ų53.813%0.12630%0.302CS..  trans-152.3148.6165.2-1790000109.1R224 A225 C227S222-R224 VanDerWaalsContact C-N 3.25Å; S222-R224 PolarHBondContact OG-N 3.02Å; S222-A225 PolarHBondContact OG-N 3.32Å; S222-A225 VanDerWaalsContact OG-N 3.11Å; S222-C227 PolarHBondContact N-SG 2.75Å
223V86.8Confident94Very high93 Ų9346.6 Ų46.656%0.56426%0.264SS*.SBendtrans-84.7-1.3169.3-59.60000112.6
224R88.9Confident94.2Very high69 Ų6944.2 Ų44.226%0.2625%0.253SS..SBendtrans-131.3-27.1-169.6-51.9-172.2-79.2106.2-3.6115L25 G28 Y30 E33 S222L25-R224 PolarHBondContact O-NH1 3.29Å; G28-R224 PolarHBondContact O-NH2 2.87Å; Y30-R224 VanDerWaalsContact CD2-NH1 3.33Å; Y30-R224 PolarHBondContact OH-NH1 3.32Å; E33-R224 VanDerWaalsContact CD-NE 3.25Å; E33-R224 WeakPolarHBondContact OE1-CD 3.42Å; E33-R224 IonicContact OE1-CZ 3.43Å; E33-R224 IonicContact OE1-NE 3.14Å; E33-R224 PolarHBondContact OE1-NE 3.33Å; E33-R224 IonicContact OE1-NH2 2.86Å; E33-R224 IonicContact OE2-CZ 2.64Å; E33-R224 IonicContact OE2-NE 3.93Å; E33-R224 PolarHBondContact OE2-NE 3.11Å; E33-R224 VanDerWaalsContact OE2-NE 3.14Å; E33-R224 IonicContact OE2-NH2 3.74Å; E33-R224 PolarHBondContact OE2-NH2 3.49Å; S222-R224 VanDerWaalsContact C-N 3.25Å; S222-R224 PolarHBondContact OG-N 3.02Å
225A86.7Confident94.2Very high9 Ų943.5 Ų43.57%0.07425%0.249CC..SBendtrans-125.3153-170.400000111.8K26 L219 S222 C227K26-A225 HydrophobicContact CG-CB 3.87Å; L219-A225 HydrophobicContact CD2-CB 3.67Å; S222-A225 PolarHBondContact OG-N 3.32Å; S222-A225 VanDerWaalsContact OG-N 3.11Å; A225-C227 PolarHBondContact O-N 3.13Å
226D87.3Confident94.1Very high112 Ų11243.7 Ų43.760%0.59926%0.256SS*.  trans-65.1118.6178.7-52.2-55.5000109.8N229D226-N229 PolarHBondContact O-ND2 2.95Å
227C90.6Very high94.1Very high69 Ų6945.6 Ų45.647%0.46627%0.273SS..THydrogen-bonded Turntrans-72.4155.1179.3-60.20000110.5R221 S222 A225 N229R221-C227 VanDerWaalsContact CA-SG 3.56Å; S222-C227 PolarHBondContact N-SG 2.75Å; A225-C227 PolarHBondContact O-N 3.13Å; C227-N229 VanDerWaalsContact C-N 3.34Å
228G90.8Very high94Very high43 Ų4350 Ų5044%0.44329%0.293SS..THydrogen-bonded Turntrans94-20.2-177.900000114.1L219L219-G228 PolarHBondContact O-N 3.25Å
229N92.9Very high94Very high82 Ų8247 Ų4744%0.43928%0.279SS..  trans-58.6143.2172-73.8-40.1000111.2M24 Q218 L219 D226 C227M24-N229 HydrophobicContact CG-CB 4.16Å; M24-N229 HydrophobicContact SD-CB 4.41Å; Q218-N229 WeakPolarHBondContact CA-O 3.5Å; L219-N229 PolarHBondContact N-O 2.79Å; D226-N229 PolarHBondContact O-ND2 2.95Å; C227-N229 VanDerWaalsContact C-N 3.34Å
230S95.6Very high94Very high78 Ų7847.1 Ų47.155%0.54528%0.28SS..EExtended strand (participates in β ladder)trans-132.8147.4176.1640000111.5A217A217-S230 CarbonylContact O-C 3.58Å; A217-S230 VanDerWaalsContact O-CA 3.22Å; A217-S230 WeakPolarHBondContact O-CA 3.31Å
231V96.7Very high94.1Very high5 Ų547.4 Ų47.43%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-120.1141172.253.50000108.8Q20 Y21 M24 S216 A217Q20-V231 HydrophobicContact CB-CG2 3.71Å; Y21-V231 HydrophobicContact CD2-CG1 3.69Å; Y21-V231 HydrophobicContact CE2-CG1 4.17Å; Y21-V231 HydrophobicContact CG-CG1 3.93Å; M24-V231 HydrophobicContact CE-CG1 3.7Å; M24-V231 HydrophobicContact SD-CB 4.36Å; M24-V231 HydrophobicContact SD-CG1 3.85Å; S216-V231 CarbonylContact C-O 3.51Å; S216-V231 WeakPolarHBondContact CA-O 3.36Å; A217-V231 HydrophobicContact CB-CG1 3.99Å; A217-V231 PolarHBondContact N-O 2.67Å; A217-V231 PolarHBondContact O-N 2.83Å
232T97.2Very high94Very high58 Ų5845.9 Ų45.936%0.35628%0.283SS..EExtended strand (participates in β ladder)trans-99.3147.6168.851.90000110.5F215F215-T232 CarbonylContact O-C 3.59Å; F215-T232 WeakPolarHBondContact O-CA 3.13Å
233F97.3Very high93.4Very high0 Ų047 Ų470%029%0.29CS..EExtended strand (participates in β ladder)trans-153.3157.3178.662.8-90000110.7Y21 V207 F215 A217 I235 L240 L241Y21-F233 HydrophobicContact CD2-CD1 4.19Å; Y21-F233 HydrophobicContact CD2-CE1 4.38Å; Y21-F233 HydrophobicContact CE2-CD1 4.24Å; Y21-F233 AromaticContact CE2-CE1 3.97Å; Y21-F233 HydrophobicContact CE2-CE1 3.97Å; V207-F233 HydrophobicContact CG1-CE1 3.99Å; V207-F233 HydrophobicContact CG1-CZ 3.63Å; F215-F233 HydrophobicContact CB-CD1 4.25Å; F215-F233 HydrophobicContact CB-CD2 3.92Å; F215-F233 HydrophobicContact CB-CE1 3.77Å; F215-F233 HydrophobicContact CB-CE2 3.43Å; F215-F233 VanDerWaalsContact CB-CE2 3.43Å; F215-F233 HydrophobicContact CB-CG 4.33Å; F215-F233 HydrophobicContact CB-CZ 3.35Å; F215-F233 HydrophobicContact CD2-CD2 4.09Å; F215-F233 AromaticContact CD2-CE2 3.8Å; F215-F233 HydrophobicContact CD2-CE2 3.8Å; F215-F233 HydrophobicContact CG-CD2 4.37Å; F215-F233 AromaticContact CG-CE2 3.77Å; F215-F233 HydrophobicContact CG-CE2 3.77Å; F215-F233 HydrophobicContact CG-CZ 4.07Å; F215-F233 PolarHBondContact N-O 3.11Å; F215-F233 PolarHBondContact O-N 2.91Å; A217-F233 HydrophobicContact CB-CE1 3.9Å; F233-I235 HydrophobicContact CD2-CG1 4.37Å; F233-I235 HydrophobicContact CE2-CD1 4.46Å; F233-I235 HydrophobicContact CE2-CG1 4.26Å; F233-L240 HydrophobicContact CD2-CD2 3.18Å; F233-L240 HydrophobicContact CD2-CG 4.46Å; F233-L240 HydrophobicContact CE2-CD2 3.27Å; F233-L240 HydrophobicContact CG-CD2 3.93Å; F233-L240 HydrophobicContact CZ-CD2 4.1Å; F233-L241 CarbonylContact C-O 3.53Å; F233-L241 WeakPolarHBondContact CA-O 3.23Å; F233-L241 WeakPolarHBondContact CB-O 3.46Å
234S97.4Very high92.6Very high23 Ų2348.4 Ų48.416%0.16130%0.303CS..EExtended strand (participates in β ladder)trans-113.4168.9166.360.90000110.5N213 L240 L241N213-S234 WeakPolarHBondContact O-CA 3.4Å; N213-S234 WeakPolarHBondContact O-CB 3.33Å; S234-L240 WeakPolarHBondContact O-CA 3.34Å; S234-L241 PolarHBondContact N-O 3.1Å; S234-L241 PolarHBondContact O-N 2.84Å
235I97.1Very high90.9Very high31 Ų3150.6 Ų50.616%0.15933%0.329CS..EExtended strand (participates in β ladder)trans-115.5124.3179.3-56.8171.9000108.3Q47 N213 F215 F233 L240Q47-I235 HydrophobicContact CB-CD1 3.82Å; Q47-I235 HydrophobicContact CB-CG1 4.49Å; Q47-I235 HydrophobicContact CB-CG2 4.32Å; Q47-I235 HydrophobicContact CG-CD1 3.92Å; Q47-I235 HydrophobicContact CG-CG2 4.13Å; N213-I235 PolarHBondContact ND2-O 3.4Å; N213-I235 PolarHBondContact OD1-N 2.82Å; N213-I235 VanDerWaalsContact OD1-N 3.09Å; N213-I235 PolarHBondContact OD1-O 3.16Å; F215-I235 HydrophobicContact CD2-CD1 3.91Å; F215-I235 HydrophobicContact CD2-CG1 3.98Å; F215-I235 HydrophobicContact CE2-CB 4.43Å; F215-I235 HydrophobicContact CE2-CD1 3.42Å; F215-I235 VanDerWaalsContact CE2-CD1 3.42Å; F215-I235 HydrophobicContact CE2-CG1 3.69Å; F215-I235 HydrophobicContact CZ-CD1 3.83Å; F233-I235 HydrophobicContact CD2-CG1 4.37Å; F233-I235 HydrophobicContact CE2-CD1 4.46Å; F233-I235 HydrophobicContact CE2-CG1 4.26Å; I235-L240 HydrophobicContact CG1-CD2 4.41Å
236G96.6Very high88.8Confident23 Ų2353.5 Ų53.524%0.23736%0.36CS..EExtended strand (participates in β ladder)trans-141.7-171.1178.400000112.3R77 Q238 G239R77-G236 PolarHBondContact NH1-O 2.87Å; R77-G236 PolarHBondContact NH2-O 2.96Å; G236-Q238 VanDerWaalsContact C-N 3.26Å; G236-Q238 PolarHBondContact O-N 3.02Å; G236-G239 PolarHBondContact N-O 3.19Å; G236-G239 PolarHBondContact O-N 3.41Å
237A95.7Very high86.1Confident48 Ų4858.1 Ų58.140%0.39740%0.398SS..THydrogen-bonded Turntrans-54.6-40.9-177.300000112.6R77 I81 A84 G239R77-A237 PolarHBondContact NH1-O 2.87Å; R77-A237 VanDerWaalsContact NH1-O 3.13Å; I81-A237 WeakPolarHBondContact CA-O 3.29Å; A84-A237 HydrophobicContact CB-CB 3.94Å; A237-G239 PolarHBondContact O-N 3.29Å; A237-G239 VanDerWaalsContact O-N 3.15Å
238Q96Very high85.9Confident92 Ų9257.6 Ų57.643%0.4340%0.395SS..THydrogen-bonded Turntrans-777.5178.4-50.5-17517.100114.5A84 K85 G236 L241A84-Q238 HydrophobicContact CB-CB 4.44Å; A84-Q238 HydrophobicContact CB-CG 3.84Å; A84-Q238 WeakPolarHBondContact O-CG 3.48Å; K85-Q238 HydrophobicContact CB-CB 4.11Å; K85-Q238 HydrophobicContact CG-CB 4.47Å; G236-Q238 VanDerWaalsContact C-N 3.26Å; G236-Q238 PolarHBondContact O-N 3.02Å; Q238-L241 HydrophobicContact CB-CD2 4.1Å
239G97.3Very high85.6Confident0 Ų058.3 Ų58.30%039%0.392CS..EExtended strand (participates in β ladder)trans93-134.6-175.100000112.4C51 G236 A237C51-G239 WeakPolarHBondContact SG-CA 3.36Å; G236-G239 PolarHBondContact N-O 3.19Å; G236-G239 PolarHBondContact O-N 3.41Å; A237-G239 PolarHBondContact O-N 3.29Å; A237-G239 VanDerWaalsContact O-N 3.15Å
240L97.6Very high85.2Confident3 Ų357 Ų572%0.01639%0.39CS..EExtended strand (participates in β ladder)trans-73.6129.9176.3-62.3163.8000110.5C16 H18 L48 C51 F233 S234 I235C16-L240 HydrophobicContact CB-CD1 4.02Å; H18-L240 HydrophobicContact CB-CB 3.82Å; H18-L240 HydrophobicContact CB-CD1 4.39Å; L48-L240 HydrophobicContact CB-CD1 4.35Å; L48-L240 HydrophobicContact CD1-CD1 3.51Å; C51-L240 HydrophobicContact CB-CD1 3.97Å; C51-L240 HydrophobicContact CB-CG 4.14Å; C51-L240 PolarHBondContact SG-N 2.64Å; C51-L240 VanDerWaalsContact SG-N 3.4Å; F233-L240 HydrophobicContact CD2-CD2 3.18Å; F233-L240 HydrophobicContact CD2-CG 4.46Å; F233-L240 HydrophobicContact CE2-CD2 3.27Å; F233-L240 HydrophobicContact CG-CD2 3.93Å; F233-L240 HydrophobicContact CZ-CD2 4.1Å; S234-L240 WeakPolarHBondContact O-CA 3.34Å; I235-L240 HydrophobicContact CG1-CD2 4.41Å
241L97Very high84.6Confident58 Ų5855.8 Ų55.830%0.30438%0.38SS..EExtended strand (participates in β ladder)trans-124.7149.2-178.2-66.1172.9000110.7H18 F233 S234 Q238H18-L241 PolarHBondContact NE2-O 2.96Å; F233-L241 CarbonylContact C-O 3.53Å; F233-L241 WeakPolarHBondContact CA-O 3.23Å; F233-L241 WeakPolarHBondContact CB-O 3.46Å; S234-L241 PolarHBondContact N-O 3.1Å; S234-L241 PolarHBondContact O-N 2.84Å; Q238-L241 HydrophobicContact CB-CD2 4.1Å
242S93.8Very high83.8Confident49 Ų4958.9 Ų58.934%0.34340%0.402SS..PPolyproline II helixtrans-69.4139.1168.1-67.80000108.1H18 Q20 C244H18-S242 PolarHBondContact CD2-N 3.14Å; H18-S242 PolarHBondContact CE1-OG 2.91Å; H18-S242 VanDerWaalsContact NE2-CA 3.25Å; H18-S242 WeakPolarHBondContact NE2-CA 3.33Å; H18-S242 PolarHBondContact NE2-N 3.05Å; H18-S242 PolarHBondContact NE2-OG 3.34Å; Q20-S242 PolarHBondContact NE2-OG 3.39Å; S242-C244 PolarHBondContact O-N 3.05Å
243P82.7Confident83Confident42 Ų4259 Ų5927%0.27341%0.405SS..PPolyproline II helixtrans-56.5134.7174.7-19.832.2000108.5L214 S245L214-P243 HydrophobicContact CD1-CB 3.99Å; L214-P243 HydrophobicContact CD1-CG 3.53Å; P243-S245 PolarHBondContact O-N 3.4Å
244C69.9Low81.9Confident122 Ų12263.2 Ų63.282%0.82443%0.434SS*.PPolyproline II helixtrans-55.8116.8170.4-63.30000107.2S242 G246S242-C244 PolarHBondContact O-N 3.05Å; C244-G246 PolarHBondContact O-N 3.19Å
245S53.1Low80.7Confident116 Ų11666.3 Ų66.381%0.81146%0.455SS*.PPolyproline II helixtrans-52.5117.7162.445.10000106.2P243P243-S245 PolarHBondContact O-N 3.4Å
246G41.9Very low79.4Confident70 Ų7069.3 Ų69.372%0.72248%0.48SS*.  trans-42.1143.1-160.800000115.5C244C244-G246 PolarHBondContact O-N 3.19Å
247C30.9Very low77.8Confident208 Ų20873.5 Ų73.5100%1.40550%0.502SS*.  trans-60.90148-680000109.6

Retrieved 247 of 247 residues in 900.5 ms (Link to these results)

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