A0A077YZ68_TRITR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077YZ68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 259 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
1M47.5Very low48.4Very low250 Ų250142.6 Ų142.6100%1.23284%0.841SS**  0116.40-65.8-169.1174.800105.6E3M1-E3 PolarHBondContact O-N 3.34Å
2A51.7Low48.5Very low109 Ų109141.6 Ų141.690%0.90184%0.841SS**  trans-82.7111.6-174.700000109.4
3E54Low49Very low182 Ų182139.1 Ų139.185%0.8583%0.828SS**  trans-89165.7144.3-113.7-17894.600106.8M1M1-E3 PolarHBondContact O-N 3.34Å
4P48.9Very low50Low103 Ų103136.4 Ų136.467%0.66981%0.808SS**  cis-140.2175.85.534.3-13000113.8
5D52.6Low51.5Low157 Ų157130.1 Ų130.184%0.8477%0.768SS**  trans-154.999.9148.8-140.9-38000109.3
6Q51.9Low53.1Low178 Ų178125.4 Ų125.483%0.83273%0.734SS**PPolyproline II helixtrans-95125.5167.9-76.3-169.8-66.500108.1V8Q6-V8 PolarHBondContact O-N 3.46Å
7P51.8Low54.8Low121 Ų121119.9 Ų119.979%0.78670%0.698SS**PPolyproline II helixtrans-71.5128.2-179.627.9-32.2000111.2V9P7-V9 PolarHBondContact O-N 3.35Å
8V49.9Very low56.3Low140 Ų140115.1 Ų115.185%0.84867%0.667SS**PPolyproline II helixtrans-59.3123.7176.5-178.20000110.3Q6 A10Q6-V8 PolarHBondContact O-N 3.46Å; V8-A10 PolarHBondContact O-N 3.09Å
9V44.2Very low57.7Low135 Ų135109 Ų10982%0.81863%0.632SS**  trans-71.2105.3174.7-178.50000109P7P7-V9 PolarHBondContact O-N 3.35Å
10A42.6Very low59Low92 Ų92110.7 Ų110.776%0.7663%0.628SS**  trans-70.2129.7172.700000110.5V8V8-A10 PolarHBondContact O-N 3.09Å
11S37.8Very low59.9Low102 Ų102106.7 Ų106.771%0.71361%0.608SS**  trans-65146.1179.5-47.20000111.7T13S11-T13 PolarHBondContact O-N 2.88Å; S11-T13 VanDerWaalsContact O-N 3.11Å
12P48.8Very low61.3Low130 Ų13096.6 Ų96.684%0.84456%0.561SS**  trans-72.1107.2-179.828.8-32.6000110.2N14P12-N14 PolarHBondContact O-N 2.92Å
13T55.9Low62.8Low109 Ų10997.7 Ų97.767%0.66955%0.552SS**  trans-70117.7167.1530000108.1S11 D15S11-T13 PolarHBondContact O-N 2.88Å; S11-T13 VanDerWaalsContact O-N 3.11Å; T13-D15 PolarHBondContact O-N 3.34Å; T13-D15 PolarHBondContact OG1-OD2 3.24Å
14N62.9Low63.7Low102 Ų10297 Ų9755%0.54554%0.542SS..  trans-79.358.2176.8-170.339.2000109.5P12 Y16P12-N14 PolarHBondContact O-N 2.92Å; N14-Y16 WeakPolarHBondContact ND2-CE2 3.39Å; N14-Y16 PolarHBondContact ND2-OH 3.37Å; N14-Y16 WeakPolarHBondContact O-CD2 3.36Å; N14-Y16 WeakPolarHBondContact O-CE2 3.08Å
15D71.8Confident65.2Low41 Ų4194.8 Ų94.822%0.21952%0.522CS..  trans-76.7125.5177.2-69.3-32000108.9T13 Y17 K45T13-D15 PolarHBondContact O-N 3.34Å; T13-D15 PolarHBondContact OG1-OD2 3.24Å; D15-Y17 HydrophobicContact CB-CE2 3.72Å; D15-Y17 WeakPolarHBondContact O-CE2 3.48Å; D15-K45 VanDerWaalsContact CG-CE 3.44Å; D15-K45 VanDerWaalsContact OD1-CE 3.23Å; D15-K45 WeakPolarHBondContact OD1-CE 3.19Å; D15-K45 IonicContact OD1-NZ 3.05Å; D15-K45 PolarHBondContact OD1-NZ 2.85Å; D15-K45 IonicContact OD2-NZ 2.82Å; D15-K45 PolarHBondContact OD2-NZ 3.17Å
16Y76.9Confident66.4Low55 Ų5587.7 Ų87.722%0.21648%0.484CS..EExtended strand (participates in β ladder)trans-90.7139.5175-65.1-95.1000109N14 N27 V46 V49N14-Y16 WeakPolarHBondContact ND2-CE2 3.39Å; N14-Y16 PolarHBondContact ND2-OH 3.37Å; N14-Y16 WeakPolarHBondContact O-CD2 3.36Å; N14-Y16 WeakPolarHBondContact O-CE2 3.08Å; Y16-N27 WeakPolarHBondContact CD1-OD1 3.45Å; Y16-N27 HydrophobicContact CE1-CB 4.45Å; Y16-N27 VanDerWaalsContact CE1-CG 3.41Å; Y16-N27 WeakPolarHBondContact CE1-ND2 3.26Å; Y16-N27 WeakPolarHBondContact CE1-OD1 3.49Å; Y16-V46 PolarHBondContact O-N 2.91Å; Y16-V49 HydrophobicContact CD1-CG2 3.61Å; Y16-V49 HydrophobicContact CD2-CG2 3.6Å; Y16-V49 HydrophobicContact CE1-CG2 3.53Å; Y16-V49 HydrophobicContact CE2-CG2 3.54Å; Y16-V49 HydrophobicContact CG-CG2 3.65Å
17Y82.2Confident67.3Low33 Ų3383.5 Ų83.513%0.12947%0.468CS..EExtended strand (participates in β ladder)trans-122.8143.2174.5-58.6-95.3000110D15 H25 V26 M29 L43 E44 K45D15-Y17 HydrophobicContact CB-CE2 3.72Å; D15-Y17 WeakPolarHBondContact O-CE2 3.48Å; Y17-H25 CarbonylContact O-C 3.47Å; Y17-H25 VanDerWaalsContact O-CA 3.28Å; Y17-H25 WeakPolarHBondContact O-CA 3.48Å; Y17-V26 PolarHBondContact N-O 3.26Å; Y17-V26 WeakPolarHBondContact O-CG2 2.94Å; Y17-V26 PolarHBondContact O-N 3.18Å; Y17-M29 HydrophobicContact CD2-CB 4.32Å; Y17-M29 HydrophobicContact CE1-CE 4.05Å; Y17-M29 HydrophobicContact CE1-SD 3.8Å; Y17-M29 HydrophobicContact CE2-CB 3.99Å; Y17-M29 HydrophobicContact CE2-CG 4.41Å; Y17-M29 HydrophobicContact CE2-SD 3.87Å; Y17-M29 PolarHBondContact OH-SD 3.28Å; Y17-M29 VanDerWaalsContact OH-SD 3.42Å; Y17-L43 HydrophobicContact CD1-CB 4.47Å; Y17-E44 CarbonylContact C-O 3.37Å; Y17-E44 WeakPolarHBondContact CA-O 3.2Å; Y17-K45 HydrophobicContact CD1-CB 3.93Å; Y17-K45 HydrophobicContact CE1-CB 3.77Å; Y17-K45 HydrophobicContact CE1-CD 4.47Å; Y17-K45 HydrophobicContact CE1-CG 4.13Å
18F82.8Confident68Low32 Ų3287.5 Ų87.514%0.1447%0.467CS..EExtended strand (participates in β ladder)trans-100126.1172-170.4-100000110.1Y20 D23 H25 L43 E44 V46F18-Y20 HydrophobicContact CD1-CD1 4.18Å; F18-Y20 HydrophobicContact CD1-CD2 4.2Å; F18-Y20 HydrophobicContact CD1-CE1 4.13Å; F18-Y20 HydrophobicContact CD1-CE2 4.15Å; F18-Y20 HydrophobicContact CD1-CG 4.22Å; F18-Y20 AromaticContact CE1-CD1 3.99Å; F18-Y20 HydrophobicContact CE1-CD1 3.99Å; F18-Y20 HydrophobicContact CE1-CE1 4.1Å; F18-Y20 HydrophobicContact CE1-CG 4.34Å; F18-D23 VanDerWaalsContact CZ-OD1 3.32Å; F18-D23 WeakPolarHBondContact CZ-OD1 3.34Å; F18-H25 AromaticContact CD2-CD2 3.97Å; F18-H25 AromaticContact CD2-CE1 3.65Å; F18-H25 AromaticContact CD2-ND1 3.84Å; F18-H25 AromaticContact CD2-NE2 3.75Å; F18-H25 AromaticContact CE2-CE1 4Å; F18-L43 WeakPolarHBondContact O-CA 2.78Å; F18-E44 PolarHBondContact N-O 3.45Å; F18-E44 PolarHBondContact O-N 2.54Å; F18-V46 HydrophobicContact CB-CG2 3.66Å
19C82.9Confident68.8Low0 Ų083.4 Ų83.40%044%0.44CS..EExtended strand (participates in β ladder)trans-96.9108.6175.2-177.50000110.4S21 C22 D23 R24 C35 C38 L43C19-S21 PolarHBondContact O-N 3.24Å; C19-C22 HydrophobicContact CB-CB 4.04Å; C19-C22 CarbonylContact O-C 3.4Å; C19-C22 PolarHBondContact O-N 3.35Å; C19-D23 WeakPolarHBondContact O-CA 3.28Å; C19-D23 PolarHBondContact O-N 3.33Å; C19-R24 PolarHBondContact N-O 3.42Å; C19-R24 PolarHBondContact O-N 3.25Å; C19-C35 HydrophobicContact CB-CB 4.08Å; C19-C35 VanDerWaalsContact SG-CB 3.5Å; C19-C35 PolarHBondContact SG-SG 2.74Å; C19-C38 VanDerWaalsContact SG-SG 3.63Å; C19-L43 HydrophobicContact CB-CD2 3.69Å
20Y81.9Confident69.8Low142 Ų14279.6 Ų79.656%0.55742%0.416SS*.THydrogen-bonded Turntrans-62.7-25.6177-74.7-82.1000113.7F18 F42 E44F18-Y20 HydrophobicContact CD1-CD1 4.18Å; F18-Y20 HydrophobicContact CD1-CD2 4.2Å; F18-Y20 HydrophobicContact CD1-CE1 4.13Å; F18-Y20 HydrophobicContact CD1-CE2 4.15Å; F18-Y20 HydrophobicContact CD1-CG 4.22Å; F18-Y20 AromaticContact CE1-CD1 3.99Å; F18-Y20 HydrophobicContact CE1-CD1 3.99Å; F18-Y20 HydrophobicContact CE1-CE1 4.1Å; F18-Y20 HydrophobicContact CE1-CG 4.34Å; Y20-F42 PolarHBondContact N-O 3.15Å; Y20-E44 HydrophobicContact CE2-CB 3.84Å; Y20-E44 VanDerWaalsContact CE2-OE2 3.25Å; Y20-E44 WeakPolarHBondContact CE2-OE2 3.48Å; Y20-E44 VanDerWaalsContact CZ-OE2 3.26Å; Y20-E44 PolarHBondContact OH-OE2 3.15Å
21S79.1Confident71Confident28 Ų2883.1 Ų83.120%0.19642%0.423CS..THydrogen-bonded Turntrans-76.5-25.7175.9-68.80000113.6C19 K40C19-S21 PolarHBondContact O-N 3.24Å; S21-K40 WeakPolarHBondContact OG-CD 3.32Å
22C77.2Confident72.6Confident38 Ų3885.6 Ų85.626%0.25742%0.423SS..THydrogen-bonded Turntrans-106.1-10.8-179.7-69.40000113.8C19 R24 C38C19-C22 HydrophobicContact CB-CB 4.04Å; C19-C22 CarbonylContact O-C 3.4Å; C19-C22 PolarHBondContact O-N 3.35Å; C22-R24 HydrophobicContact CB-CB 4.46Å; C22-R24 PolarHBondContact O-N 3.38Å; C22-C38 VanDerWaalsContact SG-CB 3.51Å; C22-C38 VanDerWaalsContact SG-SG 3.63Å
23D81.6Confident73.7Confident132 Ų13287.3 Ų87.371%0.70641%0.414SS*.THydrogen-bonded Turntrans52.742.6-173.6-160.934.7000112.2F18 C19F18-D23 VanDerWaalsContact CZ-OD1 3.32Å; F18-D23 WeakPolarHBondContact CZ-OD1 3.34Å; C19-D23 WeakPolarHBondContact O-CA 3.28Å; C19-D23 PolarHBondContact O-N 3.33Å
24R74.4Confident74.8Confident167 Ų16783.4 Ų83.463%0.6339%0.39SS*.EExtended strand (participates in β ladder)trans-152147.7-173.4-163.9179.8176.3-179.51.1112.5C19 C22C19-R24 PolarHBondContact N-O 3.42Å; C19-R24 PolarHBondContact O-N 3.25Å; C22-R24 HydrophobicContact CB-CB 4.46Å; C22-R24 PolarHBondContact O-N 3.38Å
25H78.9Confident75.5Confident57 Ų5778.6 Ų78.626%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-71136.8168.7-62.285.8000112Y17 F18Y17-H25 CarbonylContact O-C 3.47Å; Y17-H25 VanDerWaalsContact O-CA 3.28Å; Y17-H25 WeakPolarHBondContact O-CA 3.48Å; F18-H25 AromaticContact CD2-CD2 3.97Å; F18-H25 AromaticContact CD2-CE1 3.65Å; F18-H25 AromaticContact CD2-ND1 3.84Å; F18-H25 AromaticContact CD2-NE2 3.75Å; F18-H25 AromaticContact CE2-CE1 4Å
26V78.6Confident75.7Confident7 Ų780.1 Ų80.14%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-122.9133.2173.1-62.10000109.1Y17 P36 I37 L43Y17-V26 PolarHBondContact N-O 3.26Å; Y17-V26 WeakPolarHBondContact O-CG2 2.94Å; Y17-V26 PolarHBondContact O-N 3.18Å; V26-P36 HydrophobicContact CB-CG 4.3Å; V26-P36 HydrophobicContact CG1-CG 4.36Å; V26-I37 HydrophobicContact CG1-CD1 3.65Å; V26-I37 HydrophobicContact CG1-CG1 4.12Å; V26-L43 HydrophobicContact CG2-CD2 3.56Å
27N70.5Confident75.5Confident91 Ų9181.8 Ų81.849%0.48739%0.388SS..SBendtrans-95.32.8-177.3-59.17.2000112.5Y16Y16-N27 WeakPolarHBondContact CD1-OD1 3.45Å; Y16-N27 HydrophobicContact CE1-CB 4.45Å; Y16-N27 VanDerWaalsContact CE1-CG 3.41Å; Y16-N27 WeakPolarHBondContact CE1-ND2 3.26Å; Y16-N27 WeakPolarHBondContact CE1-OD1 3.49Å
28R68Low75.3Confident205 Ų20582.5 Ų82.577%0.77440%0.397SS*.  trans-140.6133.1-178.6-74.9-170.7178.7177.7-1.3109.5P36R28-P36 VanDerWaalsContact O-CD 3.29Å; R28-P36 WeakPolarHBondContact O-CD 3.43Å; R28-P36 VanDerWaalsContact O-CG 3.27Å; R28-P36 WeakPolarHBondContact O-CG 3.22Å
29M66.2Low74.9Confident54 Ų5483.4 Ų83.427%0.26642%0.416SS..  trans-105.9145.1177.4-166.5-179.2-169.100108.3Y17 Y33 L43Y17-M29 HydrophobicContact CD2-CB 4.32Å; Y17-M29 HydrophobicContact CE1-CE 4.05Å; Y17-M29 HydrophobicContact CE1-SD 3.8Å; Y17-M29 HydrophobicContact CE2-CB 3.99Å; Y17-M29 HydrophobicContact CE2-CG 4.41Å; Y17-M29 HydrophobicContact CE2-SD 3.87Å; Y17-M29 PolarHBondContact OH-SD 3.28Å; Y17-M29 VanDerWaalsContact OH-SD 3.42Å; M29-Y33 VanDerWaalsContact CE-CA 3.48Å; M29-Y33 HydrophobicContact CE-CD1 2.85Å; M29-Y33 HydrophobicContact CE-CD2 3.86Å; M29-Y33 HydrophobicContact CE-CE1 3.22Å; M29-Y33 HydrophobicContact CE-CE2 4.17Å; M29-Y33 HydrophobicContact CE-CG 3.15Å; M29-L43 HydrophobicContact CG-CD1 4.43Å
30T64.2Low74.5Confident54 Ų5488 Ų8833%0.33144%0.436SS..  trans-83.2158.3163.355.30000109.1E32 Y33 T34T30-E32 PolarHBondContact O-N 3.43Å; T30-Y33 PolarHBondContact O-N 3.04Å; T30-T34 PolarHBondContact OG1-N 2.66Å; T30-T34 PolarHBondContact OG1-O 2.95Å; T30-T34 PolarHBondContact OG1-OG1 2.72Å
31D68.2Low73.9Confident167 Ų16783.8 Ų83.889%0.89344%0.435SS*.THydrogen-bonded Turntrans-57.3-15.7-178.8-59.3-37.4000113.9
32E71.2Confident73.7Confident154 Ų15489.2 Ų89.272%0.7246%0.456SS*.THydrogen-bonded Turntrans-98.315.2-178.9-61.7-179.6167.500114.2T30 T34T30-E32 PolarHBondContact O-N 3.43Å; E32-T34 HydrophobicContact CB-CG2 4.23Å; E32-T34 PolarHBondContact O-N 2.91Å
33Y71.4Confident73.7Confident166 Ų16688.9 Ų88.965%0.65145%0.451SS*.SBendtrans58.731.4-177.8-63-112.8000112.7M29 T30M29-Y33 VanDerWaalsContact CE-CA 3.48Å; M29-Y33 HydrophobicContact CE-CD1 2.85Å; M29-Y33 HydrophobicContact CE-CD2 3.86Å; M29-Y33 HydrophobicContact CE-CE1 3.22Å; M29-Y33 HydrophobicContact CE-CE2 4.17Å; M29-Y33 HydrophobicContact CE-CG 3.15Å; T30-Y33 PolarHBondContact O-N 3.04Å
34T79.2Confident73.7Confident27 Ų2787.1 Ų87.117%0.16644%0.439CS..  trans-106.8143.3-18059.70000112.3T30 E32 L43T30-T34 PolarHBondContact OG1-N 2.66Å; T30-T34 PolarHBondContact OG1-O 2.95Å; T30-T34 PolarHBondContact OG1-OG1 2.72Å; E32-T34 HydrophobicContact CB-CG2 4.23Å; E32-T34 PolarHBondContact O-N 2.91Å; T34-L43 WeakPolarHBondContact O-CD1 3.4Å
35C78.7Confident74.1Confident1 Ų183.5 Ų83.51%0.00743%0.428CS..  trans-63.7126.1176.9176.10000110C19 I37 C38 G39 K40 L43C19-C35 HydrophobicContact CB-CB 4.08Å; C19-C35 VanDerWaalsContact SG-CB 3.5Å; C19-C35 PolarHBondContact SG-SG 2.74Å; C35-I37 PolarHBondContact O-N 2.97Å; C35-I37 PolarHBondContact SG-N 3.45Å; C35-I37 VanDerWaalsContact SG-N 3.44Å; C35-C38 VanDerWaalsContact CB-SG 3.58Å; C35-C38 PolarHBondContact O-N 3.39Å; C35-G39 VanDerWaalsContact O-CA 3.3Å; C35-G39 WeakPolarHBondContact O-CA 3.36Å; C35-G39 PolarHBondContact O-N 3.26Å; C35-K40 PolarHBondContact N-O 3.21Å; C35-L43 HydrophobicContact CB-CD1 4.42Å; C35-L43 HydrophobicContact CB-CD2 3.8Å; C35-L43 HydrophobicContact CB-CG 4.14Å
36P75.9Confident73.9Confident72 Ų7282.5 Ų82.547%0.46843%0.425SS..THydrogen-bonded Turntrans-66.5-11.9-179.929.4-38.1000113.3V26 R28V26-P36 HydrophobicContact CB-CG 4.3Å; V26-P36 HydrophobicContact CG1-CG 4.36Å; R28-P36 VanDerWaalsContact O-CD 3.29Å; R28-P36 WeakPolarHBondContact O-CD 3.43Å; R28-P36 VanDerWaalsContact O-CG 3.27Å; R28-P36 WeakPolarHBondContact O-CG 3.22Å
37I73.5Confident73.5Confident90 Ų9088.8 Ų88.846%0.46246%0.459SS..THydrogen-bonded Turntrans-91.3-46.7-178.7-54.5177.3000111.1V26 C35V26-I37 HydrophobicContact CG1-CD1 3.65Å; V26-I37 HydrophobicContact CG1-CG1 4.12Å; C35-I37 PolarHBondContact O-N 2.97Å; C35-I37 PolarHBondContact SG-N 3.45Å; C35-I37 VanDerWaalsContact SG-N 3.44Å
38C78.1Confident73.1Confident48 Ų4889.8 Ų89.832%0.32447%0.468SS..THydrogen-bonded Turntrans-112.5-9.2-175.668.90000115.3C19 C22 C35 K40C19-C38 VanDerWaalsContact SG-SG 3.63Å; C22-C38 VanDerWaalsContact SG-CB 3.51Å; C22-C38 VanDerWaalsContact SG-SG 3.63Å; C35-C38 VanDerWaalsContact CB-SG 3.58Å; C35-C38 PolarHBondContact O-N 3.39Å; C38-K40 HydrophobicContact CB-CG 4.49Å; C38-K40 PolarHBondContact O-N 3.48Å
39G74.1Confident72.5Confident52 Ų5283.4 Ų83.454%0.53645%0.452SS..  trans68.911.7-17700000114.8C35C35-G39 VanDerWaalsContact O-CA 3.3Å; C35-G39 WeakPolarHBondContact O-CA 3.36Å; C35-G39 PolarHBondContact O-N 3.26Å
40K73.3Confident71.9Confident96 Ų9684.9 Ų84.942%0.41747%0.466SS..  trans-93.8146.3179.4-62.3-178174-175.20110.8S21 C35 C38 F42S21-K40 WeakPolarHBondContact OG-CD 3.32Å; C35-K40 PolarHBondContact N-O 3.21Å; C38-K40 HydrophobicContact CB-CG 4.49Å; C38-K40 PolarHBondContact O-N 3.48Å; K40-F42 VanDerWaalsContact C-N 3.31Å; K40-F42 PolarHBondContact O-N 3.32Å
41G70.5Confident71.1Confident53 Ų5390.2 Ų90.255%0.54649%0.491SS..SBendtrans-85.223.1-177.300000116.3L43G41-L43 PolarHBondContact O-N 2.93Å
42F74.8Confident70Confident143 Ų14390.5 Ų90.563%0.62749%0.487SS*.  trans-102.968.9178.9-67.1-87.3000110.1Y20 K40Y20-F42 PolarHBondContact N-O 3.15Å; K40-F42 VanDerWaalsContact C-N 3.31Å; K40-F42 PolarHBondContact O-N 3.32Å
43L77.4Confident68.4Low31 Ų3192.2 Ų92.216%0.16250%0.495CS..EExtended strand (participates in β ladder)trans-110.8126.3176.1-72.9174.9000109.7Y17 F18 C19 V26 M29 T34 C35 G41Y17-L43 HydrophobicContact CD1-CB 4.47Å; F18-L43 WeakPolarHBondContact O-CA 2.78Å; C19-L43 HydrophobicContact CB-CD2 3.69Å; V26-L43 HydrophobicContact CG2-CD2 3.56Å; M29-L43 HydrophobicContact CG-CD1 4.43Å; T34-L43 WeakPolarHBondContact O-CD1 3.4Å; C35-L43 HydrophobicContact CB-CD1 4.42Å; C35-L43 HydrophobicContact CB-CD2 3.8Å; C35-L43 HydrophobicContact CB-CG 4.14Å; G41-L43 PolarHBondContact O-N 2.93Å
44E81.7Confident66.7Low94 Ų9489.7 Ų89.744%0.43950%0.497SS..EExtended strand (participates in β ladder)trans-105.8137169.6178.7176.7-175.700109.6Y17 F18 Y20Y17-E44 CarbonylContact C-O 3.37Å; Y17-E44 WeakPolarHBondContact CA-O 3.2Å; F18-E44 PolarHBondContact N-O 3.45Å; F18-E44 PolarHBondContact O-N 2.54Å; Y20-E44 HydrophobicContact CE2-CB 3.84Å; Y20-E44 VanDerWaalsContact CE2-OE2 3.25Å; Y20-E44 WeakPolarHBondContact CE2-OE2 3.48Å; Y20-E44 VanDerWaalsContact CZ-OE2 3.26Å; Y20-E44 PolarHBondContact OH-OE2 3.15Å
45K81.2Confident64.5Low92 Ų9294.2 Ų94.240%0.453%0.53SS..EExtended strand (participates in β ladder)trans-74.8126.4174.2-177.7173.2172.91630109.1D15 Y17D15-K45 VanDerWaalsContact CG-CE 3.44Å; D15-K45 VanDerWaalsContact OD1-CE 3.23Å; D15-K45 WeakPolarHBondContact OD1-CE 3.19Å; D15-K45 IonicContact OD1-NZ 3.05Å; D15-K45 PolarHBondContact OD1-NZ 2.85Å; D15-K45 IonicContact OD2-NZ 2.82Å; D15-K45 PolarHBondContact OD2-NZ 3.17Å; Y17-K45 HydrophobicContact CD1-CB 3.93Å; Y17-K45 HydrophobicContact CE1-CB 3.77Å; Y17-K45 HydrophobicContact CE1-CD 4.47Å; Y17-K45 HydrophobicContact CE1-CG 4.13Å
46V76.2Confident62.6Low35 Ų3598.5 Ų98.521%0.21257%0.565CS.*EExtended strand (participates in β ladder)trans-116.3120178.8-171.60000108.8Y16 F18 T48Y16-V46 PolarHBondContact O-N 2.91Å; F18-V46 HydrophobicContact CB-CG2 3.66Å; V46-T48 VanDerWaalsContact C-N 3.28Å; V46-T48 WeakPolarHBondContact CG1-O 3.37Å; V46-T48 PolarHBondContact O-N 2.92Å
47D68.7Low60.8Low140 Ų140104.8 Ų104.875%0.74959%0.588SS**SBendtrans-78.7-10.7-175.9-64.4-39.3000113.3
48T62.6Low59Low112 Ų112103.6 Ų103.669%0.68760%0.599SS**SBendtrans-135.9115.7-177.134.30000112V46 P50V46-T48 VanDerWaalsContact C-N 3.28Å; V46-T48 WeakPolarHBondContact CG1-O 3.37Å; V46-T48 PolarHBondContact O-N 2.92Å; T48-P50 WeakPolarHBondContact O-CD 3.32Å
49V56.3Low57Low71 Ų71106.4 Ų106.443%0.4363%0.625SS.*  trans-70.6125.7169.9-168.50000108.6Y16 L51Y16-V49 HydrophobicContact CD1-CG2 3.61Å; Y16-V49 HydrophobicContact CD2-CG2 3.6Å; Y16-V49 HydrophobicContact CE1-CG2 3.53Å; Y16-V49 HydrophobicContact CE2-CG2 3.54Å; Y16-V49 HydrophobicContact CG-CG2 3.65Å; V49-L51 PolarHBondContact O-N 2.98Å
50P52.9Low55.3Low85 Ų85113.1 Ų113.155%0.55264%0.643SS**  trans-62.3121.2167.9-17.530.1000108.4T48 Q52T48-P50 WeakPolarHBondContact O-CD 3.32Å; P50-Q52 PolarHBondContact O-N 3.16Å
51L48Very low53.8Low166 Ų166114.8 Ų114.887%0.86966%0.661SS**  trans-50.3110.5171.7-81.8166.9000108.3V49 Q53V49-L51 PolarHBondContact O-N 2.98Å; L51-Q53 PolarHBondContact O-N 3.16Å
52Q44.6Very low52.6Low172 Ų172117.7 Ų117.780%0.80467%0.671SS**  trans-55.1109.3170.1-167.9165.140.300106.1P50 T54P50-Q52 PolarHBondContact O-N 3.16Å; Q52-T54 PolarHBondContact O-N 3Å
53Q36.7Very low51.6Low191 Ų191117 Ų11789%0.89368%0.681SS**  trans-62.887.5174.9-75.7178.1-1.700107.6L51 S55L51-Q53 PolarHBondContact O-N 3.16Å; Q53-S55 PolarHBondContact O-N 3.44Å
54T36.8Very low50.2Low112 Ų112121.1 Ų121.169%0.68771%0.712SS**  trans-74.4111.9165510000106.3Q52 A56Q52-T54 PolarHBondContact O-N 3Å; T54-A56 VanDerWaalsContact C-N 3.35Å; T54-A56 PolarHBondContact O-N 3.07Å
55S32.4Very low48.1Very low123 Ų123126.5 Ų126.586%0.8673%0.734SS**  trans-47.596.1164.6-44.60000110.1Q53Q53-S55 PolarHBondContact O-N 3.44Å
56A39.6Very low46.3Very low90 Ų90125.5 Ų125.574%0.74475%0.75SS**  trans-103.397.3163.800000106.9T54 G58T54-A56 VanDerWaalsContact C-N 3.35Å; T54-A56 PolarHBondContact O-N 3.07Å; A56-G58 PolarHBondContact O-N 2.85Å; A56-G58 VanDerWaalsContact O-N 3.09Å
57Q37.1Very low44.8Very low204 Ų204129.3 Ų129.395%0.95378%0.775SS**  trans-59.3106.1157.4-68.4170.8-17.300106.8
58G35.9Very low43.7Very low66 Ų66129.3 Ų129.368%0.6878%0.775SS**  trans-136.9107.9176.600000108A56 E60A56-G58 PolarHBondContact O-N 2.85Å; A56-G58 VanDerWaalsContact O-N 3.09Å; G58-E60 PolarHBondContact O-N 3.38Å
59A36.7Very low43.1Very low107 Ų107131.3 Ų131.388%0.88478%0.78SS**  trans-69.2120.5-176.700000111.1
60E37.5Very low42.3Very low192 Ų192131.7 Ų131.790%0.89780%0.798SS**  trans-137.6128.2165.8-56.7-168.813900109.5G58G58-E60 PolarHBondContact O-N 3.38Å
61T41.7Very low41.8Very low132 Ų132131 Ų13181%0.8181%0.806SS**PPolyproline II helixtrans-57.6150.4-164.730.60000117.1
62P46.4Very low41.6Very low114 Ų114131.6 Ų131.674%0.7481%0.809SS**PPolyproline II helixtrans-73.4146.117331.7-32.5000111.1S64P62-S64 PolarHBondContact O-N 3.5Å
63P53Low41.7Very low129 Ų129128 Ų12884%0.83880%0.802SS**PPolyproline II helixtrans-70.7124.6178.327.3-31.5000111
64S48.4Very low42Very low117 Ų117128.2 Ų128.282%0.81880%0.801SS**PPolyproline II helixtrans-71.6139175.3-1770000111.6P62P62-S64 PolarHBondContact O-N 3.5Å
65F37.7Very low42.6Very low207 Ų207128.1 Ų128.191%0.90880%0.802SS**PPolyproline II helixtrans-57.3138.8166.5-70.1-97.8000111.3
66G43Very low42.9Very low71 Ų71133.2 Ų133.273%0.73280%0.803SS**  trans-147.6122.1163.200000108.7
67P44.3Very low43.3Very low115 Ų115135 Ų13575%0.74781%0.806SS**  trans-90.3146.7172.735.4-28.4000109.6
68D47Very low43.9Very low139 Ų139129.3 Ų129.374%0.74379%0.787SS**  166.8125124.7-94.7-32.9000112.8
69I49.8Very low44.8Very low154 Ų154132 Ų13279%0.7979%0.791SS**  trans73.8118.8133.8-59167000119.6
70G39.2Very low45.1Very low79 Ų79132.5 Ų132.581%0.81479%0.785SS**  trans96.2111.5148.100000113.1
71G41.7Very low45.1Very low70 Ų70132.7 Ų132.772%0.72278%0.783SS**  cis138.5102.319.800000106.3
72I45.5Very low45.2Very low179 Ų179131 Ų13192%0.91878%0.775SS**  trans-159.1112.5153.321.4169.7000108.6
73S45.5Very low44.7Very low96 Ų96134 Ų13467%0.67178%0.776SS**  trans-69.3150.9176.5-55.80000111.1
74F43.4Very low44Very low196 Ų196132.7 Ų132.786%0.8677%0.77SS**  164.5169.288.9-90.9-79000107.4
75P48.9Very low43.7Very low110 Ų110132.3 Ų132.371%0.71477%0.768SS**  -125.2135.8-54.225.9-6000112.9
76W38.1Very low43.6Very low230 Ų230130 Ų13087%0.87177%0.765SS**  trans-12.2159.7145.2-70.44.8000119.3
77P49.8Very low43.7Very low127 Ų127131.7 Ų131.783%0.82577%0.765SS**  cis-145161.949.138.9-17.8000120.6
78P49.1Very low43.5Very low85 Ų85131.8 Ų131.855%0.55277%0.769SS**  trans-117.4-178.6-170.831.1-8.9000114.3
79T53.6Low43.2Very low124 Ų124136.8 Ų136.876%0.76178%0.778SS**  trans84.9158157.175.60000117.8
80P43.3Very low42.8Very low117 Ų117133.8 Ų133.876%0.7678%0.775SS**  cis-133.41573.428.1-5000116.5
81F37.9Very low42.6Very low195 Ų195135.8 Ų135.886%0.85578%0.777SS**  trans-44.3169154.5-65.2-77.7000112.3
82P43.9Very low42.5Very low97 Ų97137.4 Ų137.463%0.6378%0.777SS**  -160.8176.150.930.4-0.1000120.5
83F35.6Very low42.1Very low177 Ų177133.4 Ų133.478%0.77677%0.771SS**  trans71127.3147.870.9-107.9000123.3
84S38.3Very low42.2Very low101 Ų101137.4 Ų137.471%0.70678%0.779SS**  trans75.9108.5131.1-63.40000122.6
85S41.2Very low42.3Very low110 Ų110133.4 Ų133.477%0.76977%0.771SS**  81.3122.7120.6-57.60000121.4
86D36.7Very low42.3Very low157 Ų157133 Ų13384%0.8477%0.769SS**  trans54.9114.4152-87.7-34.9000119.9
87S45.2Very low42.8Very low107 Ų107129.6 Ų129.675%0.74876%0.755SS**  trans159.4123.3131-73.70000111.4
88S40.2Very low43Very low118 Ų118126.6 Ų126.683%0.82574%0.741SS**  trans58.299.7140.6-39.50000119.6
89R39.5Very low43.3Very low244 Ų244125.4 Ų125.492%0.92174%0.739SS**  trans-14696.5153.7-127173.5179.8168.6-0.8107.5
90A41.2Very low43.5Very low90 Ų90123.5 Ų123.574%0.74473%0.727SS**  54.1102.380.400000112.8
91S35.1Very low44.2Very low122 Ų122120.9 Ų120.985%0.85371%0.705SS**  trans11.1124.6149.4-50.70000119
92S39.8Very low45.4Very low104 Ų104118.6 Ų118.673%0.72770%0.697SS**  -163.7110.3129.5-133.90000110Q94S92-Q94 PolarHBondContact O-N 2.93Å
93A38.5Very low46.3Very low95 Ų95120 Ų12079%0.78569%0.693SS**  trans-69114.3163.300000108.1
94Q45.9Very low47.6Very low179 Ų179114.5 Ų114.584%0.83667%0.672SS**  trans-112.183.1165.8-77.1176.3-3.900107S92S92-Q94 PolarHBondContact O-N 2.93Å
95T47Very low48.8Very low112 Ų112111.4 Ų111.469%0.68765%0.648SS**  trans-72.6138.5159.534.60000108.2R97T95-R97 PolarHBondContact O-N 3.42Å
96P48.4Very low50Low103 Ų103112.5 Ų112.567%0.66964%0.641SS**  trans-70.796.3-174.127.6-32.6000110.5A98 A99P96-A98 PolarHBondContact O-N 2.85Å; P96-A99 PolarHBondContact O-N 2.99Å
97R49.6Very low51.4Low157 Ų157108.6 Ų108.659%0.59262%0.62SS**Hα-helixtrans-59.1-25.2-179.8-72.6176.571.8123.6-6.5114.1T95 A99 T100 E101T95-R97 PolarHBondContact O-N 3.42Å; R97-A99 VanDerWaalsContact C-N 3.34Å; R97-A99 PolarHBondContact O-N 2.9Å; R97-T100 PolarHBondContact O-N 2.72Å; R97-T100 PolarHBondContact O-OG1 3.28Å; R97-E101 PolarHBondContact O-N 3.36Å
98A53.5Low52.2Low64 Ų64105 Ų10553%0.52959%0.592SS.*Hα-helixtrans-61.7-39.7-179.200000112.7P96 T100 E101 E102P96-A98 PolarHBondContact O-N 2.85Å; A98-T100 VanDerWaalsContact C-N 3.29Å; A98-T100 PolarHBondContact O-N 3.2Å; A98-E101 PolarHBondContact O-N 3.34Å; A98-E102 PolarHBondContact O-N 2.66Å
99A56.1Low53.3Low60 Ų60100.7 Ų100.750%0.49657%0.567SS.*Hα-helixtrans-68.2-29.7-178.900000112.7P96 R97 F103P96-A99 PolarHBondContact O-N 2.99Å; R97-A99 VanDerWaalsContact C-N 3.34Å; R97-A99 PolarHBondContact O-N 2.9Å; A99-F103 PolarHBondContact O-N 3.41Å
100T57.2Low54.3Low85 Ų8594.7 Ų94.752%0.52155%0.553SS.*Hα-helixtrans-75.4-31.3177.548.70000112.4R97 A98 L104R97-T100 PolarHBondContact O-N 2.72Å; R97-T100 PolarHBondContact O-OG1 3.28Å; A98-T100 VanDerWaalsContact C-N 3.29Å; A98-T100 PolarHBondContact O-N 3.2Å; T100-L104 VanDerWaalsContact O-CG 3.26Å; T100-L104 WeakPolarHBondContact O-CG 3.49Å; T100-L104 PolarHBondContact O-N 3.35Å
101E57Low55Low62 Ų6291.9 Ų91.929%0.2953%0.525SS..Hα-helixtrans-73-43.7178.2-70.1173.717600111.1R97 A98 F103 L104 T105 F123R97-E101 PolarHBondContact O-N 3.36Å; A98-E101 PolarHBondContact O-N 3.34Å; E101-F103 PolarHBondContact O-N 3.47Å; E101-L104 PolarHBondContact O-N 3.42Å; E101-T105 WeakPolarHBondContact O-CB 3.33Å; E101-T105 PolarHBondContact O-N 2.74Å; E101-T105 PolarHBondContact O-OG1 3.49Å; E101-F123 HydrophobicContact CG-CD2 4.3Å; E101-F123 HydrophobicContact CG-CE2 4.41Å
102E63.2Low55.8Low146 Ų14687.7 Ų87.768%0.68250%0.495SS*.Hα-helixtrans-61.4-45.3176.3-70.1-172.2154.200112A98 L104 T105 E106A98-E102 PolarHBondContact O-N 2.66Å; E102-L104 PolarHBondContact O-N 2.92Å; E102-T105 PolarHBondContact O-N 3.31Å; E102-E106 WeakPolarHBondContact O-CB 3.42Å; E102-E106 PolarHBondContact O-N 2.88Å
103F63.8Low56.4Low127 Ų12790.5 Ų90.556%0.55750%0.502SS*.Hα-helixtrans-61.7-44.3178.4174.1-101.2000112.7A99 E101 T105 E106 L107A99-F103 PolarHBondContact O-N 3.41Å; E101-F103 PolarHBondContact O-N 3.47Å; F103-T105 VanDerWaalsContact C-N 3.3Å; F103-T105 PolarHBondContact O-N 2.87Å; F103-E106 PolarHBondContact O-N 2.98Å; F103-L107 HydrophobicContact CE1-CD1 4.14Å; F103-L107 HydrophobicContact CZ-CD1 3.83Å; F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.16Å; F103-L107 PolarHBondContact O-N 2.98Å
104L62.7Low57Low62 Ų6288 Ų8833%0.32548%0.478SS..Hα-helixtrans-66.7-37.2178.8-71175000111.2T100 E101 E102 L107 L108 L121 F123T100-L104 VanDerWaalsContact O-CG 3.26Å; T100-L104 WeakPolarHBondContact O-CG 3.49Å; T100-L104 PolarHBondContact O-N 3.35Å; E101-L104 PolarHBondContact O-N 3.42Å; E102-L104 PolarHBondContact O-N 2.92Å; L104-L107 PolarHBondContact O-N 2.79Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 WeakPolarHBondContact O-CG 3.37Å; L104-L108 PolarHBondContact O-N 3.31Å; L104-L121 HydrophobicContact CB-CD1 3.64Å; L104-L121 HydrophobicContact CD1-CD1 4.43Å; L104-F123 HydrophobicContact CD1-CE2 4.11Å; L104-F123 HydrophobicContact CD1-CZ 3.87Å
105T63.8Low57.1Low36 Ų3686.4 Ų86.422%0.22148%0.475CS..Hα-helixtrans-64.2-44.9176.7-53.60000111.4E101 E102 F103 L108 G109 F119E101-T105 WeakPolarHBondContact O-CB 3.33Å; E101-T105 PolarHBondContact O-N 2.74Å; E101-T105 PolarHBondContact O-OG1 3.49Å; E102-T105 PolarHBondContact O-N 3.31Å; F103-T105 VanDerWaalsContact C-N 3.3Å; F103-T105 PolarHBondContact O-N 2.87Å; T105-L108 PolarHBondContact O-N 3.47Å; T105-G109 PolarHBondContact O-N 2.87Å; T105-F119 WeakPolarHBondContact CG2-O 3.17Å
106E65.8Low57.1Low133 Ų13384.9 Ų84.962%0.62148%0.482SS*.Hα-helixtrans-67.4-37.6177.1-166.1177.6151.300111.9E102 F103 G109 N110E102-E106 WeakPolarHBondContact O-CB 3.42Å; E102-E106 PolarHBondContact O-N 2.88Å; F103-E106 PolarHBondContact O-N 2.98Å; E106-G109 PolarHBondContact O-N 3.12Å; E106-N110 WeakPolarHBondContact O-CB 3.46Å; E106-N110 VanDerWaalsContact O-CG 3.31Å; E106-N110 PolarHBondContact O-N 3.44Å; E106-N110 PolarHBondContact O-ND2 3.33Å
107L66.5Low57.2Low75 Ų7587.8 Ų87.839%0.39348%0.481SS..Hα-helixtrans-64.5-44.2175-172122.9000111.2F103 L104 N110 L111F103-L107 HydrophobicContact CE1-CD1 4.14Å; F103-L107 HydrophobicContact CZ-CD1 3.83Å; F103-L107 VanDerWaalsContact O-CB 3.28Å; F103-L107 WeakPolarHBondContact O-CB 3.16Å; F103-L107 PolarHBondContact O-N 2.98Å; L104-L107 PolarHBondContact O-N 2.79Å; L107-N110 PolarHBondContact O-N 2.93Å; L107-L111 HydrophobicContact CD2-CD1 3.58Å; L107-L111 HydrophobicContact CG-CD1 4.08Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 WeakPolarHBondContact O-CD1 3.15Å; L107-L111 WeakPolarHBondContact O-CG 3.05Å; L107-L111 PolarHBondContact O-N 2.98Å
108L61.9Low57.3Low30 Ų3089 Ų8916%0.15749%0.493CS..Hα-helixtrans-65.6-42.6174.9-71.5-178.3000111.9L104 T105 N110 L111 T112 L121 F152L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 WeakPolarHBondContact O-CG 3.37Å; L104-L108 PolarHBondContact O-N 3.31Å; T105-L108 PolarHBondContact O-N 3.47Å; L108-N110 PolarHBondContact O-N 3.31Å; L108-L111 PolarHBondContact O-N 2.7Å; L108-L111 VanDerWaalsContact O-N 3.09Å; L108-T112 PolarHBondContact O-N 2.86Å; L108-T112 PolarHBondContact O-OG1 3.14Å; L108-L121 HydrophobicContact CD1-CD1 3.6Å; L108-L121 HydrophobicContact CD1-CD2 3.66Å; L108-L121 HydrophobicContact CD1-CG 3.82Å; L108-F152 HydrophobicContact CD2-CE1 4.03Å; L108-F152 HydrophobicContact CD2-CE2 3.83Å; L108-F152 HydrophobicContact CD2-CZ 3.26Å
109G62.4Low57.2Low29 Ų2989.1 Ų89.130%0.29948%0.482SS..Hα-helixtrans-59.1-33.617600000113.1T105 E106T105-G109 PolarHBondContact O-N 2.87Å; E106-G109 PolarHBondContact O-N 3.12Å
110N62.1Low57Low118 Ų11892.3 Ų92.363%0.63149%0.486SS*.Hα-helixtrans-82.3-24.6175.4-71.8-32.8000113.7E106 L107 L108E106-N110 WeakPolarHBondContact O-CB 3.46Å; E106-N110 VanDerWaalsContact O-CG 3.31Å; E106-N110 PolarHBondContact O-N 3.44Å; E106-N110 PolarHBondContact O-ND2 3.33Å; L107-N110 PolarHBondContact O-N 2.93Å; L108-N110 PolarHBondContact O-N 3.31Å
111L54.2Low56.8Low31 Ų3190.3 Ų90.316%0.16247%0.472CS..Hα-helixtrans-81.1-32.2178.5-74.1169.6000112.1L107 L108 F152 V156L107-L111 HydrophobicContact CD2-CD1 3.58Å; L107-L111 HydrophobicContact CG-CD1 4.08Å; L107-L111 WeakPolarHBondContact O-CB 3.48Å; L107-L111 WeakPolarHBondContact O-CD1 3.15Å; L107-L111 WeakPolarHBondContact O-CG 3.05Å; L107-L111 PolarHBondContact O-N 2.98Å; L108-L111 PolarHBondContact O-N 2.7Å; L108-L111 VanDerWaalsContact O-N 3.09Å; L111-F152 HydrophobicContact CD1-CZ 4.09Å; L111-V156 HydrophobicContact CD1-CG2 4.14Å; L111-V156 HydrophobicContact CD2-CG2 4.47Å
112T52Low56.5Low34 Ų3492 Ų9221%0.20949%0.487CS..THydrogen-bonded Turntrans-85.4115.2166.966.40000107.1L108 S114 F119L108-T112 PolarHBondContact O-N 2.86Å; L108-T112 PolarHBondContact O-OG1 3.14Å; T112-S114 PolarHBondContact O-N 2.97Å; T112-S114 WeakPolarHBondContact OG1-CB 3.17Å; T112-S114 PolarHBondContact OG1-OG 3.3Å; T112-F119 HydrophobicContact CG2-CE1 4.49Å; T112-F119 HydrophobicContact CG2-CE2 3.64Å; T112-F119 HydrophobicContact CG2-CZ 3.61Å; T112-F119 WeakPolarHBondContact OG1-CE2 3.49Å
113N53.1Low55.6Low163 Ų16390.3 Ų90.387%0.87248%0.477SS*.THydrogen-bonded Turntrans-66.353.2163.4-93.1-22.2000109.5D115N113-D115 PolarHBondContact O-N 3.38Å; N113-D115 VanDerWaalsContact O-N 3.09Å
114S51.7Low54.6Low41 Ų4191.2 Ų91.229%0.28749%0.488SS..  trans-74.3113-162.554.80000108.7T112 G116 Y117T112-S114 PolarHBondContact O-N 2.97Å; T112-S114 WeakPolarHBondContact OG1-CB 3.17Å; T112-S114 PolarHBondContact OG1-OG 3.3Å; S114-G116 PolarHBondContact O-N 3.4Å; S114-Y117 PolarHBondContact OG-O 3.09Å
115D47Very low53.8Low146 Ų14698.3 Ų98.378%0.78151%0.511SS*.SBendtrans-4384.2140.6-61.5-50000109.7N113 Y117N113-D115 PolarHBondContact O-N 3.38Å; N113-D115 VanDerWaalsContact O-N 3.09Å; D115-Y117 WeakPolarHBondContact O-CD2 3.47Å; D115-Y117 WeakPolarHBondContact O-CE2 3.45Å; D115-Y117 PolarHBondContact O-N 2.94Å; D115-Y117 VanDerWaalsContact O-N 3.14Å
116G47.7Very low52.8Low80 Ų80102.8 Ų102.883%0.82553%0.533SS*.SBendtrans6421.8161.200000118.6S114S114-G116 PolarHBondContact O-N 3.4Å
117Y50.5Low51.6Low165 Ų165100.7 Ų100.765%0.64753%0.526SS*.  trans-98.2114.9175.7-60.2-78.5000111.1S114 D115S114-Y117 PolarHBondContact OG-O 3.09Å; D115-Y117 WeakPolarHBondContact O-CD2 3.47Å; D115-Y117 WeakPolarHBondContact O-CE2 3.45Å; D115-Y117 PolarHBondContact O-N 2.94Å; D115-Y117 VanDerWaalsContact O-N 3.14Å
118E52.1Low50.6Low183 Ų183103.2 Ų103.286%0.85555%0.547SS*.  trans-83.6118.7167.8-174.6178.5174.700108.5
119F51Low49.7Very low65 Ų65109.5 Ų109.529%0.28558%0.576SS.*  trans-89.4136.6173.4-63.7-87.6000108.3T105 T112T105-F119 WeakPolarHBondContact CG2-O 3.17Å; T112-F119 HydrophobicContact CG2-CE1 4.49Å; T112-F119 HydrophobicContact CG2-CE2 3.64Å; T112-F119 HydrophobicContact CG2-CZ 3.61Å; T112-F119 WeakPolarHBondContact OG1-CE2 3.49Å
120H51.2Low48.6Very low127 Ų127118 Ų11859%0.58860%0.6SS**  trans-129.4109.8171.2-174.4-84.9000108.1
121L53.8Low47.3Very low44 Ų44121.4 Ų121.423%0.2361%0.61CS.*  trans-84.9118.4178.8-62.7176.1000109.4L104 L108 F123L104-L121 HydrophobicContact CB-CD1 3.64Å; L104-L121 HydrophobicContact CD1-CD1 4.43Å; L108-L121 HydrophobicContact CD1-CD1 3.6Å; L108-L121 HydrophobicContact CD1-CD2 3.66Å; L108-L121 HydrophobicContact CD1-CG 3.82Å; L121-F123 HydrophobicContact CB-CE2 3.98Å; L121-F123 HydrophobicContact CB-CZ 4.34Å; L121-F123 HydrophobicContact CD1-CE2 4.42Å; L121-F123 HydrophobicContact CD1-CZ 4.25Å
122T49.2Very low46.1Very low98 Ų98127.1 Ų127.160%0.60164%0.64SS**  trans-107.3128.1167.349.70000109.3
123F45.1Very low45Very low109 Ų109134.9 Ų134.948%0.47867%0.672SS.*  trans-105.771.2176.1-63.4-84.6000109.5E101 L104 L121 R125E101-F123 HydrophobicContact CG-CD2 4.3Å; E101-F123 HydrophobicContact CG-CE2 4.41Å; L104-F123 HydrophobicContact CD1-CE2 4.11Å; L104-F123 HydrophobicContact CD1-CZ 3.87Å; L121-F123 HydrophobicContact CB-CE2 3.98Å; L121-F123 HydrophobicContact CB-CZ 4.34Å; L121-F123 HydrophobicContact CD1-CE2 4.42Å; L121-F123 HydrophobicContact CD1-CZ 4.25Å; F123-R125 PolarHBondContact O-N 3.04Å
124D43.1Very low44.3Very low146 Ų146131.4 Ų131.478%0.78166%0.66SS**  trans-82.198.5170.9-105.1-65000109.3
125R46.1Very low43.4Very low212 Ų212138.1 Ų138.180%0.869%0.687SS**  trans-100.2118.6166.1-141.7177.377175.34.7106.5F123F123-R125 PolarHBondContact O-N 3.04Å
126D43Very low42.9Very low130 Ų130137.6 Ų137.670%0.69569%0.689SS**SBendtrans97.241.4161.1-47.7-56.1000119.1
127D39.8Very low42.4Very low88 Ų88137.2 Ų137.247%0.47168%0.678SS.*  trans-131.9105.5158.6-151-23.8000115.4Q129 Y130D127-Q129 PolarHBondContact O-N 2.8Å; D127-Q129 PolarHBondContact OD1-N 3.17Å; D127-Y130 WeakPolarHBondContact OD2-CD2 3.26Å
128P44.6Very low41.8Very low128 Ų128135.9 Ų135.983%0.83169%0.689SS**THydrogen-bonded Turntrans-73.60.8170.8-13.628.8000115.3
129Q43.1Very low41.4Very low163 Ų163134.6 Ų134.676%0.76268%0.678SS**THydrogen-bonded Turntrans-149.757.9-177.2-61.7-168.7-7.600114.1D127D127-Q129 PolarHBondContact O-N 2.8Å; D127-Q129 PolarHBondContact OD1-N 3.17Å
130Y39.4Very low41.1Very low208 Ų208136.2 Ų136.282%0.81670%0.703SS**  trans-108.6101.7165.3-121.6-99.4000113.5D127D127-Y130 WeakPolarHBondContact OD2-CD2 3.26Å
131F35.5Very low40.8Very low189 Ų189135.3 Ų135.383%0.82971%0.707SS**  trans-59.9137.5166.4-91.1-105000111.2
132N29.8Very low40.5Very low150 Ų150140.4 Ų140.480%0.80273%0.727SS**  trans-61.9127.7171.4-164.7-8.2000111.1
133F28.5Very low40.6Very low198 Ų198140.5 Ų140.587%0.86873%0.728SS**  trans-147.4130.6155.4-153.6-94.7000110.1
134S38.2Very low41.1Very low90 Ų90139.9 Ų139.963%0.62973%0.728SS**  trans98.665.6168.5-1560000118.3V136S134-V136 PolarHBondContact O-N 3.32Å
135E32.1Very low41.5Very low182 Ų182139.8 Ų139.885%0.8572%0.723SS**  41.763109.2-155.7173179.200118.8
136V36.1Very low42.2Very low135 Ų135138.1 Ų138.182%0.81872%0.724SS**  trans-163.2141.1142.7-123.30000111.2S134S134-V136 PolarHBondContact O-N 3.32Å
137A37.7Very low43Very low72 Ų72138.1 Ų138.160%0.59572%0.724SS**  trans86.8121.2170.400000117.4Y139A137-Y139 HydrophobicContact CB-CD1 4.43Å; A137-Y139 PolarHBondContact O-N 3.09Å
138P39.1Very low44.1Very low137 Ų137135.3 Ų135.389%0.8972%0.717SS**  trans-82.972.2171.436.5-29.7000108.1
139Y44Very low45.3Very low156 Ų156133.4 Ų133.461%0.61270%0.699SS**  trans-82.9124.416664.6-87.3000107.9A137 T141A137-Y139 HydrophobicContact CB-CD1 4.43Å; A137-Y139 PolarHBondContact O-N 3.09Å; Y139-T141 PolarHBondContact O-N 3.2Å
140A43.6Very low46.5Very low98 Ų98130.7 Ų130.781%0.8169%0.69SS**  trans-60.5109.4173.700000107.9F142A140-F142 PolarHBondContact O-N 2.51Å; A140-F142 VanDerWaalsContact O-N 3.07Å
141T44.4Very low47.8Very low109 Ų109123.6 Ų123.667%0.66967%0.674SS**  trans-7299165.3-54.90000106.3Y139 T143Y139-T141 PolarHBondContact O-N 3.2Å; T141-T143 PolarHBondContact O-N 2.91Å
142F48.1Very low49.2Very low151 Ų151118 Ų11866%0.66265%0.65SS**  trans-83.3107.8169.7-176.9-108.1000108.2A140 I144A140-F142 PolarHBondContact O-N 2.51Å; A140-F142 VanDerWaalsContact O-N 3.07Å; F142-I144 HydrophobicContact CD1-CB 4.43Å; F142-I144 HydrophobicContact CD1-CG1 3.66Å; F142-I144 HydrophobicContact CE1-CB 4.1Å; F142-I144 HydrophobicContact CE1-CG1 3.65Å; F142-I144 PolarHBondContact O-N 3.18Å
143T51.2Low51.2Low100 Ų100113.8 Ų113.861%0.61363%0.629SS**  trans-72.4110.4161.648.40000106.9T141 E145T141-T143 PolarHBondContact O-N 2.91Å; T143-E145 VanDerWaalsContact C-N 3.32Å; T143-E145 PolarHBondContact O-N 2.83Å
144I55.3Low53.1Low96 Ų96107.9 Ų107.949%0.49261%0.609SS.*  trans-64.3100.8166.9-54.9172.7000105.5F142 L149F142-I144 HydrophobicContact CD1-CB 4.43Å; F142-I144 HydrophobicContact CD1-CG1 3.66Å; F142-I144 HydrophobicContact CE1-CB 4.1Å; F142-I144 HydrophobicContact CE1-CG1 3.65Å; F142-I144 PolarHBondContact O-N 3.18Å; I144-L149 HydrophobicContact CG2-CB 3.8Å; I144-L149 VanDerWaalsContact CG2-N 3.34Å
145E52.7Low54.4Low143 Ų143109.8 Ų109.867%0.66861%0.608SS**  trans-55.7143.7166.5-65.3-180165.400107.5T143 D147 G148T143-E145 VanDerWaalsContact C-N 3.32Å; T143-E145 PolarHBondContact O-N 2.83Å; E145-D147 PolarHBondContact O-N 3.49Å; E145-G148 WeakPolarHBondContact O-CA 3.33Å; E145-G148 PolarHBondContact O-N 3.15Å
146E59.5Low56Low177 Ų177102.3 Ų102.383%0.82758%0.575SS**Hα-helixtrans-49.7-33.7-172.8-66.3-179.1147.500112.3G148E146-G148 PolarHBondContact O-N 3.42Å
147D59.9Low57.5Low130 Ų130100.1 Ų100.170%0.69556%0.558SS**Hα-helixtrans-70.7-25.9177.5-58.9-34.7000114.4E145 A151E145-D147 PolarHBondContact O-N 3.49Å; D147-A151 PolarHBondContact O-N 3.49Å
148G63.4Low58.8Low30 Ų30101.1 Ų101.131%0.30955%0.553SS.*Hα-helixtrans-76.8-30.8179.900000113.2E145 E146 F152E145-G148 WeakPolarHBondContact O-CA 3.33Å; E145-G148 PolarHBondContact O-N 3.15Å; E146-G148 PolarHBondContact O-N 3.42Å; G148-F152 WeakPolarHBondContact O-CB 3.38Å; G148-F152 PolarHBondContact O-N 3.06Å
149L69.7Low59.8Low88 Ų88100.3 Ų100.346%0.46154%0.538SS..Hα-helixtrans-67.6-43.9174.3-176.666.6000110.4I144 A151 F152 V153I144-L149 HydrophobicContact CG2-CB 3.8Å; I144-L149 VanDerWaalsContact CG2-N 3.34Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 2.83Å; L149-F152 HydrophobicContact CD1-CD1 4.42Å; L149-F152 CarbonylContact O-C 3.56Å; L149-F152 WeakPolarHBondContact O-CB 3.1Å; L149-F152 PolarHBondContact O-N 2.82Å; L149-V153 HydrophobicContact CD1-CG2 4.28Å; L149-V153 HydrophobicContact CG-CG2 4.17Å; L149-V153 WeakPolarHBondContact O-CB 3.25Å; L149-V153 VanDerWaalsContact O-CG2 3.25Å; L149-V153 WeakPolarHBondContact O-CG2 3.18Å; L149-V153 PolarHBondContact O-N 2.74Å
150D68.2Low60.6Low106 Ų10698.7 Ų98.757%0.56753%0.534SS*.Hα-helixtrans-62.5-40.2178.7-83.5-7.2000111.7V153 T154D150-V153 PolarHBondContact O-N 3.01Å; D150-T154 VanDerWaalsContact O-CB 3.24Å; D150-T154 WeakPolarHBondContact O-CB 3.46Å; D150-T154 PolarHBondContact O-N 3.25Å; D150-T154 PolarHBondContact O-OG1 2.8Å
151A67.5Low61.1Low59 Ų5998.8 Ų98.849%0.48852%0.518SS..Hα-helixtrans-63.3-42.8173.700000112D147 L149 T154 Q155D147-A151 PolarHBondContact O-N 3.49Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 2.83Å; A151-T154 PolarHBondContact O-N 2.8Å; A151-Q155 WeakPolarHBondContact O-CB 3.3Å; A151-Q155 PolarHBondContact O-N 2.87Å
152F65.2Low61.3Low72 Ų7297.4 Ų97.432%0.31653%0.526SS..Hα-helixtrans-63.5-48.6175.4172.5-99.3000111.7L108 L111 G148 L149 T154 Q155 V156L108-F152 HydrophobicContact CD2-CE1 4.03Å; L108-F152 HydrophobicContact CD2-CE2 3.83Å; L108-F152 HydrophobicContact CD2-CZ 3.26Å; L111-F152 HydrophobicContact CD1-CZ 4.09Å; G148-F152 WeakPolarHBondContact O-CB 3.38Å; G148-F152 PolarHBondContact O-N 3.06Å; L149-F152 HydrophobicContact CD1-CD1 4.42Å; L149-F152 CarbonylContact O-C 3.56Å; L149-F152 WeakPolarHBondContact O-CB 3.1Å; L149-F152 PolarHBondContact O-N 2.82Å; F152-T154 VanDerWaalsContact C-N 3.3Å; F152-T154 PolarHBondContact O-N 2.74Å; F152-Q155 PolarHBondContact O-N 2.92Å; F152-V156 HydrophobicContact CD1-CG2 4.28Å; F152-V156 HydrophobicContact CD2-CG2 4.16Å; F152-V156 HydrophobicContact CE1-CG2 3.84Å; F152-V156 HydrophobicContact CE2-CG2 3.71Å; F152-V156 HydrophobicContact CG-CG2 4.43Å; F152-V156 HydrophobicContact CZ-CG2 3.51Å; F152-V156 WeakPolarHBondContact O-CB 3.23Å; F152-V156 VanDerWaalsContact O-CG2 3.26Å; F152-V156 WeakPolarHBondContact O-CG2 3.28Å; F152-V156 PolarHBondContact O-N 2.97Å
153V71.1Confident61.4Low61 Ų6192.3 Ų92.337%0.3752%0.515SS..Hα-helixtrans-57.6-46.9176.3169.80000109.5L149 D150 Q155 V156 L157L149-V153 HydrophobicContact CD1-CG2 4.28Å; L149-V153 HydrophobicContact CG-CG2 4.17Å; L149-V153 WeakPolarHBondContact O-CB 3.25Å; L149-V153 VanDerWaalsContact O-CG2 3.25Å; L149-V153 WeakPolarHBondContact O-CG2 3.18Å; L149-V153 PolarHBondContact O-N 2.74Å; D150-V153 PolarHBondContact O-N 3.01Å; V153-Q155 PolarHBondContact O-N 3.37Å; V153-V156 PolarHBondContact O-N 3.5Å; V153-L157 HydrophobicContact CG1-CD1 3.71Å; V153-L157 HydrophobicContact CG1-CG 4.16Å; V153-L157 WeakPolarHBondContact O-CB 3.21Å; V153-L157 WeakPolarHBondContact O-CG 3.36Å; V153-L157 PolarHBondContact O-N 2.81Å
154T68.5Low61.5Low74 Ų7489.5 Ų89.545%0.45450%0.502SS..Hα-helixtrans-61.7-42177.7-57.60000111.8D150 A151 F152 L157 N158D150-T154 VanDerWaalsContact O-CB 3.24Å; D150-T154 WeakPolarHBondContact O-CB 3.46Å; D150-T154 PolarHBondContact O-N 3.25Å; D150-T154 PolarHBondContact O-OG1 2.8Å; A151-T154 PolarHBondContact O-N 2.8Å; F152-T154 VanDerWaalsContact C-N 3.3Å; F152-T154 PolarHBondContact O-N 2.74Å; T154-L157 PolarHBondContact O-N 3.07Å; T154-N158 WeakPolarHBondContact O-CB 3.48Å; T154-N158 VanDerWaalsContact O-CG 3.24Å; T154-N158 PolarHBondContact O-N 3.01Å; T154-N158 PolarHBondContact O-ND2 3.31Å
155Q64.7Low61.5Low129 Ų12990.2 Ų90.260%0.60351%0.513SS*.Hα-helixtrans-67-41.2177.7-179159.3-24.600112.4A151 F152 V153 N158 Q159A151-Q155 WeakPolarHBondContact O-CB 3.3Å; A151-Q155 PolarHBondContact O-N 2.87Å; F152-Q155 PolarHBondContact O-N 2.92Å; V153-Q155 PolarHBondContact O-N 3.37Å; Q155-N158 PolarHBondContact O-N 2.9Å; Q155-Q159 WeakPolarHBondContact O-CB 2.97Å; Q155-Q159 PolarHBondContact O-N 3.09Å
156V67.1Low61.7Low26 Ų2688 Ų8816%0.15851%0.511CS..Hα-helixtrans-63.9-45.6175173.50000110.1L111 F152 V153 Q159 F160L111-V156 HydrophobicContact CD1-CG2 4.14Å; L111-V156 HydrophobicContact CD2-CG2 4.47Å; F152-V156 HydrophobicContact CD1-CG2 4.28Å; F152-V156 HydrophobicContact CD2-CG2 4.16Å; F152-V156 HydrophobicContact CE1-CG2 3.84Å; F152-V156 HydrophobicContact CE2-CG2 3.71Å; F152-V156 HydrophobicContact CG-CG2 4.43Å; F152-V156 HydrophobicContact CZ-CG2 3.51Å; F152-V156 WeakPolarHBondContact O-CB 3.23Å; F152-V156 VanDerWaalsContact O-CG2 3.26Å; F152-V156 WeakPolarHBondContact O-CG2 3.28Å; F152-V156 PolarHBondContact O-N 2.97Å; V153-V156 PolarHBondContact O-N 3.5Å; V156-Q159 PolarHBondContact O-N 3.42Å; V156-F160 HydrophobicContact CG1-CD2 3.74Å; V156-F160 HydrophobicContact CG1-CE2 3.51Å; V156-F160 WeakPolarHBondContact O-CD2 3.49Å; V156-F160 PolarHBondContact O-N 2.98Å; V156-F160 VanDerWaalsContact O-N 3.09Å
157L66.8Low61.8Low88 Ų8880 Ų8046%0.46147%0.474SS..Hα-helixtrans-59.3-47.9175.1-70.5174.3000111.3V153 T154 Q159 F160 E161V153-L157 HydrophobicContact CG1-CD1 3.71Å; V153-L157 HydrophobicContact CG1-CG 4.16Å; V153-L157 WeakPolarHBondContact O-CB 3.21Å; V153-L157 WeakPolarHBondContact O-CG 3.36Å; V153-L157 PolarHBondContact O-N 2.81Å; T154-L157 PolarHBondContact O-N 3.07Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 3.2Å; L157-F160 CarbonylContact O-C 3.6Å; L157-F160 WeakPolarHBondContact O-CA 3.5Å; L157-F160 PolarHBondContact O-N 2.76Å; L157-E161 WeakPolarHBondContact O-CB 3.34Å; L157-E161 WeakPolarHBondContact O-CG 3.11Å; L157-E161 PolarHBondContact O-N 3.48Å
158N64.1Low62.3Low93 Ų9377.2 Ų77.250%0.49746%0.462SS..Hα-helixtrans-58.6-37.2175.6-77.6-46.8000112.8T154 Q155 F160 E161T154-N158 WeakPolarHBondContact O-CB 3.48Å; T154-N158 VanDerWaalsContact O-CG 3.24Å; T154-N158 PolarHBondContact O-N 3.01Å; T154-N158 PolarHBondContact O-ND2 3.31Å; Q155-N158 PolarHBondContact O-N 2.9Å; N158-F160 VanDerWaalsContact C-N 3.28Å; N158-F160 PolarHBondContact O-N 2.95Å; N158-E161 PolarHBondContact O-N 2.76Å; N158-E161 PolarHBondContact OD1-OE2 3.18Å
159Q61.6Low62.7Low121 Ų12178.6 Ų78.657%0.56547%0.47SS*.Hα-helixtrans-69-28.3176-170.3174.5-4.300112.1Q155 V156 L157Q155-Q159 WeakPolarHBondContact O-CB 2.97Å; Q155-Q159 PolarHBondContact O-N 3.09Å; V156-Q159 PolarHBondContact O-N 3.42Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 3.2Å
160F59.6Low62.7Low122 Ų12282 Ų8254%0.53548%0.484SS..Hα-helixtrans-88.1-11.7172.9-71.1-66.1000113.9V156 L157 N158 G162V156-F160 HydrophobicContact CG1-CD2 3.74Å; V156-F160 HydrophobicContact CG1-CE2 3.51Å; V156-F160 WeakPolarHBondContact O-CD2 3.49Å; V156-F160 PolarHBondContact O-N 2.98Å; V156-F160 VanDerWaalsContact O-N 3.09Å; L157-F160 CarbonylContact O-C 3.6Å; L157-F160 WeakPolarHBondContact O-CA 3.5Å; L157-F160 PolarHBondContact O-N 2.76Å; N158-F160 VanDerWaalsContact C-N 3.28Å; N158-F160 PolarHBondContact O-N 2.95Å; F160-G162 PolarHBondContact O-N 3.04Å
161E55.1Low63Low99 Ų9980.2 Ų80.246%0.46347%0.472SS..  trans-79.86.1-178.9-81.4160.1-164.700114.5L157 N158 G163L157-E161 WeakPolarHBondContact O-CB 3.34Å; L157-E161 WeakPolarHBondContact O-CG 3.11Å; L157-E161 PolarHBondContact O-N 3.48Å; N158-E161 PolarHBondContact O-N 2.76Å; N158-E161 PolarHBondContact OD1-OE2 3.18Å; E161-G163 PolarHBondContact O-N 3.23Å
162G47.6Very low63.4Low81 Ų8177.5 Ų77.584%0.83545%0.45SS*.  trans-69.929.3167.400000115F160F160-G162 PolarHBondContact O-N 3.04Å
163G49.8Very low63.9Low43 Ų4379.2 Ų79.244%0.44346%0.462SS..  trans-71.4143.5-170.500000114E161E161-G163 PolarHBondContact O-N 3.23Å
164A53.4Low64.1Low41 Ų4180.8 Ų80.834%0.33948%0.475SS..  trans-44.2154.2178.600000114.2
165P56.2Low64.6Low112 Ų11277.9 Ų77.973%0.72746%0.457SS*.SBendtrans-47.6146.5-178.919.6-33.9000112.5L167P165-L167 PolarHBondContact O-N 2.76Å
166P57Low65.3Low95 Ų9575.4 Ų75.462%0.61745%0.452SS*.PPolyproline II helixtrans-53.7133.4-17323.9-35.3000110.2T168 Q221P166-T168 PolarHBondContact O-N 3.43Å; P166-Q221 WeakPolarHBondContact CB-O 3.27Å
167L61.9Low66.2Low10 Ų1077.5 Ų77.55%0.05247%0.465CS..PPolyproline II helixtrans-59.8130.3174.2-167.363.1000107.9P165 E171 I172 L220 L234P165-L167 PolarHBondContact O-N 2.76Å; L167-E171 HydrophobicContact CD1-CB 3.57Å; L167-E171 HydrophobicContact CD1-CG 4.21Å; L167-E171 WeakPolarHBondContact CD1-OE2 3.47Å; L167-E171 HydrophobicContact CD2-CB 4.3Å; L167-E171 HydrophobicContact CG-CB 3.71Å; L167-I172 HydrophobicContact CB-CD1 4.36Å; L167-I172 HydrophobicContact CB-CG1 4.1Å; L167-I172 HydrophobicContact CD2-CG1 3.58Å; L167-I172 HydrophobicContact CG-CG1 3.83Å; L167-L220 VanDerWaalsContact CB-O 3.27Å; L167-L220 WeakPolarHBondContact CB-O 3.15Å; L167-L220 HydrophobicContact CD2-CB 4.42Å; L167-L234 HydrophobicContact CD1-CD1 3.27Å; L167-L234 HydrophobicContact CD1-CD2 3.74Å; L167-L234 HydrophobicContact CD1-CG 3.44Å; L167-L234 VanDerWaalsContact CD1-CG 3.44Å
168T69.6Low66.9Low72 Ų7276.2 Ų76.244%0.44246%0.456SS..PPolyproline II helixtrans-63.2146.2178.461.30000109.1P166 E170 E171 I172P166-T168 PolarHBondContact O-N 3.43Å; T168-E170 PolarHBondContact O-N 2.66Å; T168-E171 WeakPolarHBondContact CB-OE2 3.47Å; T168-E171 PolarHBondContact N-OE2 3.41Å; T168-E171 PolarHBondContact O-N 3.43Å; T168-E171 VanDerWaalsContact OG1-CD 3.26Å; T168-E171 VanDerWaalsContact OG1-CG 3.27Å; T168-E171 WeakPolarHBondContact OG1-CG 3.36Å; T168-E171 PolarHBondContact OG1-N 2.8Å; T168-E171 PolarHBondContact OG1-OE2 2.86Å; T168-I172 PolarHBondContact O-N 3.22Å; T168-I172 VanDerWaalsContact O-N 3.11Å
169A71.1Confident67.9Low59 Ų5979 Ų7949%0.48846%0.464SS..Hα-helixtrans-56.1-28.6178.400000112I172 N173A169-I172 PolarHBondContact O-N 3.09Å; A169-N173 WeakPolarHBondContact O-CB 3.42Å; A169-N173 VanDerWaalsContact O-CG 3.24Å; A169-N173 PolarHBondContact O-N 2.9Å; A169-N173 PolarHBondContact O-ND2 3.47Å
170E70.8Confident68.8Low160 Ų16073.8 Ų73.875%0.74844%0.441SS*.Hα-helixtrans-64.5-44.8175.1-61.4-176.8179.600112.2T168 N173 S174T168-E170 PolarHBondContact O-N 2.66Å; E170-N173 PolarHBondContact O-N 2.79Å; E170-S174 PolarHBondContact O-N 3.01Å
171E73.4Confident69.6Low68 Ų6875.2 Ų75.232%0.31845%0.449SS..Hα-helixtrans-67-38177.1-71.3164.813100111.5L167 T168 N173 S174 L234L167-E171 HydrophobicContact CD1-CB 3.57Å; L167-E171 HydrophobicContact CD1-CG 4.21Å; L167-E171 WeakPolarHBondContact CD1-OE2 3.47Å; L167-E171 HydrophobicContact CD2-CB 4.3Å; L167-E171 HydrophobicContact CG-CB 3.71Å; T168-E171 WeakPolarHBondContact CB-OE2 3.47Å; T168-E171 PolarHBondContact N-OE2 3.41Å; T168-E171 PolarHBondContact O-N 3.43Å; T168-E171 VanDerWaalsContact OG1-CD 3.26Å; T168-E171 VanDerWaalsContact OG1-CG 3.27Å; T168-E171 WeakPolarHBondContact OG1-CG 3.36Å; T168-E171 PolarHBondContact OG1-N 2.8Å; T168-E171 PolarHBondContact OG1-OE2 2.86Å; E171-N173 VanDerWaalsContact C-N 3.35Å; E171-S174 PolarHBondContact O-N 3.32Å; E171-S174 PolarHBondContact O-OG 3.17Å; E171-L234 HydrophobicContact CB-CD2 4.37Å; E171-L234 HydrophobicContact CG-CD2 4.35Å
172I77.4Confident69.9Low2 Ų274.7 Ų74.71%0.0146%0.456CS..Hα-helixtrans-61.4-46.1173.2-61.8171000110.3L167 T168 A169 S174 I175 R203 V217 L220 Q221L167-I172 HydrophobicContact CB-CD1 4.36Å; L167-I172 HydrophobicContact CB-CG1 4.1Å; L167-I172 HydrophobicContact CD2-CG1 3.58Å; L167-I172 HydrophobicContact CG-CG1 3.83Å; T168-I172 PolarHBondContact O-N 3.22Å; T168-I172 VanDerWaalsContact O-N 3.11Å; A169-I172 PolarHBondContact O-N 3.09Å; I172-S174 PolarHBondContact O-N 2.97Å; I172-I175 WeakPolarHBondContact O-CB 3.25Å; I172-I175 WeakPolarHBondContact O-CG1 3.41Å; I172-I175 PolarHBondContact O-N 3.27Å; I172-R203 PolarHBondContact O-NH1 2.83Å; I172-V217 HydrophobicContact CG2-CG1 4.47Å; I172-V217 HydrophobicContact CG2-CG2 3.96Å; I172-L220 HydrophobicContact CD1-CB 3.82Å; I172-L220 HydrophobicContact CG1-CB 3.85Å; I172-L220 HydrophobicContact CG2-CB 4.46Å; I172-L220 HydrophobicContact CG2-CD1 4.14Å; I172-Q221 HydrophobicContact CD1-CG 3.73Å
173N75.1Confident70.7Confident107 Ų10774.2 Ų74.257%0.57245%0.451SS*.Hα-helixtrans-68-21.2-179.6-76.3-41.4000113.5A169 E170 E171 I175A169-N173 WeakPolarHBondContact O-CB 3.42Å; A169-N173 VanDerWaalsContact O-CG 3.24Å; A169-N173 PolarHBondContact O-N 2.9Å; A169-N173 PolarHBondContact O-ND2 3.47Å; E170-N173 PolarHBondContact O-N 2.79Å; E171-N173 VanDerWaalsContact C-N 3.35Å; N173-I175 PolarHBondContact O-N 3Å
174S76.1Confident71.3Confident94 Ų9475.9 Ų75.966%0.65745%0.448SS*.THydrogen-bonded Turntrans-71.5-15.4174.878.90000113.9E170 E171 I172E170-S174 PolarHBondContact O-N 3.01Å; E171-S174 PolarHBondContact O-N 3.32Å; E171-S174 PolarHBondContact O-OG 3.17Å; I172-S174 PolarHBondContact O-N 2.97Å
175I78.6Confident71.3Confident13 Ų1382.7 Ų82.77%0.06747%0.472CS..SBendtrans-71.1131.7179-59.4172.2000109.2I172 N173 V177 R203 R204 L220 I233I172-I175 WeakPolarHBondContact O-CB 3.25Å; I172-I175 WeakPolarHBondContact O-CG1 3.41Å; I172-I175 PolarHBondContact O-N 3.27Å; N173-I175 PolarHBondContact O-N 3Å; I175-V177 PolarHBondContact O-N 3.42Å; I175-R203 HydrophobicContact CG2-CB 4.39Å; I175-R203 PolarHBondContact O-NH1 3.01Å; I175-R203 VanDerWaalsContact O-NH1 3.1Å; I175-R204 WeakPolarHBondContact CG2-O 3.27Å; I175-L220 HydrophobicContact CD1-CD1 3.56Å; I175-I233 HydrophobicContact CD1-CG2 3.9Å; I175-I233 HydrophobicContact CG1-CG2 4.49Å
176P79.6Confident71.2Confident77 Ų7781.6 Ų81.650%0.547%0.472SS..PPolyproline II helixtrans-59.9127.2-17924.2-33.8000111.6R204P176-R204 PolarHBondContact O-N 3.47Å
177V84.4Confident72Confident71 Ų7180.8 Ų80.843%0.4346%0.462SS..EExtended strand (participates in β ladder)trans-96.5119.9171-175.40000107.5I175 T201 V202 R203I175-V177 PolarHBondContact O-N 3.42Å; V177-T201 HydrophobicContact CG1-CG2 4.4Å; V177-V202 CarbonylContact C-O 3.59Å; V177-V202 WeakPolarHBondContact CA-O 3.37Å; V177-R203 HydrophobicContact CG2-CG 3.93Å
178E83.3Confident73.2Confident60 Ų6085.1 Ų85.128%0.2848%0.482SS..EExtended strand (participates in β ladder)trans-102.6149.9173-66.1174.8-179.300108.2V202 R204 R210E178-V202 HydrophobicContact CB-CG2 4.07Å; E178-V202 PolarHBondContact N-O 3.43Å; E178-V202 WeakPolarHBondContact O-CG2 3.29Å; E178-V202 PolarHBondContact O-N 2.89Å; E178-R204 WeakPolarHBondContact OE1-CD 3.41Å; E178-R204 IonicContact OE1-NH1 3.92Å; E178-R204 PolarHBondContact OE1-NH1 2.98Å; E178-R210 IonicContact OE2-NH2 2.87Å; E178-R210 PolarHBondContact OE2-NH2 3.09Å
179K83.7Confident74.1Confident153 Ų15381.7 Ų81.767%0.66546%0.461SS*.EExtended strand (participates in β ladder)trans-100.4134.3168.5-70.5-175.4179.5-176.10107.7E181K179-E181 PolarHBondContact O-N 3.34Å
180V81.6Confident74.8Confident11 Ų1181.3 Ų81.37%0.06746%0.455CS..PPolyproline II helixtrans-69.5120.9-179.8-1800000108.9F196 Q197 G199 S200 V202V180-F196 HydrophobicContact CG1-CB 4.16Å; V180-F196 HydrophobicContact CG2-CB 3.98Å; V180-F196 HydrophobicContact CG2-CG 4.34Å; V180-Q197 WeakPolarHBondContact CB-O 3.35Å; V180-G199 PolarHBondContact O-N 3.5Å; V180-S200 WeakPolarHBondContact CG2-OG 3.42Å; V180-S200 PolarHBondContact N-O 3.32Å; V180-V202 HydrophobicContact CG2-CB 4.17Å; V180-V202 HydrophobicContact CG2-CG1 3.41Å; V180-V202 VanDerWaalsContact CG2-CG1 3.41Å; V180-V202 HydrophobicContact CG2-CG2 3.63Å
181E75.9Confident75.5Confident151 Ų15176.4 Ų76.471%0.70644%0.436SS*.PPolyproline II helixtrans-92.3150.7175.3-63-171.9165.700110.6K179 G183 E184K179-E181 PolarHBondContact O-N 3.34Å; E181-G183 PolarHBondContact O-N 3.22Å; E181-G183 VanDerWaalsContact O-N 3.15Å; E181-E184 PolarHBondContact O-N 2.62Å
182S61.7Low76.3Confident88 Ų8875.1 Ų75.162%0.61543%0.434SS*.THydrogen-bonded Turntrans-60.4114.8174.3-171.10000109.8E198S182-E198 WeakPolarHBondContact CA-OE1 3.46Å; S182-E198 WeakPolarHBondContact CB-OE1 3.5Å; S182-E198 VanDerWaalsContact OG-CD 3.23Å; S182-E198 PolarHBondContact OG-OE1 3.04Å
183G63.3Low76.7Confident71 Ų7182.1 Ų82.173%0.73246%0.464SS*.THydrogen-bonded Turntrans119.40.6178.700000115.9E181 E185E181-G183 PolarHBondContact O-N 3.22Å; E181-G183 VanDerWaalsContact O-N 3.15Å; G183-E185 PolarHBondContact O-N 2.89Å
184E62.6Low77.2Confident79 Ų7982.8 Ų82.837%0.36946%0.464SS..  trans-76.2118.8168.6-62.7-164.112800110.4E181 A186 R210E181-E184 PolarHBondContact O-N 2.62Å; E184-A186 PolarHBondContact O-N 2.94Å; E184-R210 IonicContact OE1-CZ 3.35Å; E184-R210 IonicContact OE1-NH1 2.92Å; E184-R210 PolarHBondContact OE1-NH1 2.96Å; E184-R210 IonicContact OE1-NH2 3.47Å; E184-R210 PolarHBondContact OE1-NH2 2.81Å; E184-R210 IonicContact OE2-CZ 3.7Å; E184-R210 IonicContact OE2-NH1 2.74Å; E184-R210 PolarHBondContact OE2-NH1 3.29Å; E184-R210 IonicContact OE2-NH2 2.93Å
185E54.4Low77.7Confident184 Ų18485.1 Ų85.186%0.8647%0.465SS*.  trans-63.797.4-174-55.3179.9-153.400111.5G183 I187G183-E185 PolarHBondContact O-N 2.89Å; E185-I187 WeakPolarHBondContact O-CG1 3.26Å; E185-I187 PolarHBondContact O-N 3.29Å; E185-I187 VanDerWaalsContact O-N 3.15Å
186A53.4Low78.1Confident88 Ų8886 Ų8673%0.72747%0.468SS*.  trans30.467.716000000116.4E184E184-A186 PolarHBondContact O-N 2.94Å
187I74.7Confident78.1Confident78 Ų7889.6 Ų89.640%0.448%0.478SS..PPolyproline II helixtrans-95.5128.6164.3-48.5174.9000106.6E185 F196E185-I187 WeakPolarHBondContact O-CG1 3.26Å; E185-I187 PolarHBondContact O-N 3.29Å; E185-I187 VanDerWaalsContact O-N 3.15Å; I187-F196 VanDerWaalsContact C-CD2 3.49Å; I187-F196 HydrophobicContact CB-CD2 3.8Å; I187-F196 HydrophobicContact CB-CE2 3.78Å; I187-F196 HydrophobicContact CG2-CD2 4.23Å; I187-F196 HydrophobicContact CG2-CE2 3.66Å; I187-F196 WeakPolarHBondContact O-CD2 3.39Å; I187-F196 WeakPolarHBondContact O-CE2 3.21Å; I187-F196 WeakPolarHBondContact O-CG 3.47Å; I187-F196 PolarHBondContact O-N 3.4Å
188Q85.8Confident78Confident102 Ų10292.5 Ų92.548%0.47749%0.487SS..EExtended strand (participates in β ladder)trans-98.5144.4177.1-174.1-1735.100108.8S190 F193 E194Q188-S190 PolarHBondContact O-N 3.42Å; Q188-F193 VanDerWaalsContact NE2-CA 3.34Å; Q188-F193 PolarHBondContact NE2-O 3.06Å; Q188-E194 WeakPolarHBondContact CG-O 3.02Å
189C89.1Confident78Confident0 Ų092.2 Ų92.20%050%0.5CS..EExtended strand (participates in β ladder)trans-73.4119.5172.9-176.20000109.9V191 C192 F193 E194 F196 H212C189-V191 PolarHBondContact O-N 3.48Å; C189-V191 VanDerWaalsContact O-N 3.09Å; C189-C192 VanDerWaalsContact CB-SG 3.57Å; C189-F193 WeakPolarHBondContact O-CA 3.16Å; C189-F193 PolarHBondContact O-N 2.93Å; C189-E194 PolarHBondContact N-O 3.1Å; C189-F196 HydrophobicContact CB-CE1 3.72Å; C189-F196 HydrophobicContact CB-CZ 3.89Å; C189-H212 VanDerWaalsContact CB-ND1 3.33Å; C189-H212 WeakPolarHBondContact CB-ND1 3.47Å
190S86Confident78Confident50 Ų5086 Ų8635%0.3548%0.476SS..THydrogen-bonded Turntrans-74.32.7-178.7790000114.7Q188 F211 V228Q188-S190 PolarHBondContact O-N 3.42Å; S190-F211 VanDerWaalsContact OG-CE1 3.26Å; S190-F211 WeakPolarHBondContact OG-CE1 3.45Å; S190-V228 WeakPolarHBondContact OG-CG2 3.32Å
191V86.1Confident78.3Confident58 Ų5888.3 Ų88.335%0.35249%0.49SS..THydrogen-bonded Turntrans-98.9-47.7178.5175.60000110.7C189 F211 C215 P227C189-V191 PolarHBondContact O-N 3.48Å; C189-V191 VanDerWaalsContact O-N 3.09Å; V191-F211 HydrophobicContact CG2-CD1 3.68Å; V191-F211 HydrophobicContact CG2-CE1 3.91Å; V191-C215 HydrophobicContact CB-CB 3.95Å; V191-C215 HydrophobicContact CG1-CB 3.84Å; V191-P227 HydrophobicContact CG2-CG 4.47Å
192C89.2Confident78.9Confident40 Ų4081.1 Ų81.127%0.2746%0.456SS..THydrogen-bonded Turntrans-97.1-8.8175.660.70000113.8C189 E194 H212C189-C192 VanDerWaalsContact CB-SG 3.57Å; C192-E194 HydrophobicContact CB-CG 4.27Å; C192-E194 PolarHBondContact O-N 2.91Å; C192-H212 VanDerWaalsContact SG-CE1 3.54Å; C192-H212 PolarHBondContact SG-ND1 3.16Å
193F85.6Confident80.1Confident150 Ų15077.6 Ų77.666%0.65843%0.43SS*.THydrogen-bonded Turntrans5634.3-173.2-56.4-84.5000112.9Q188 C189Q188-F193 VanDerWaalsContact NE2-CA 3.34Å; Q188-F193 PolarHBondContact NE2-O 3.06Å; C189-F193 WeakPolarHBondContact O-CA 3.16Å; C189-F193 PolarHBondContact O-N 2.93Å
194E85.8Confident81.3Confident121 Ų12178.3 Ų78.357%0.56541%0.41SS*.EExtended strand (participates in β ladder)trans-111.3146.4174.9-62.5174.6166.800111.1Q188 C189 C192Q188-E194 WeakPolarHBondContact CG-O 3.02Å; C189-E194 PolarHBondContact N-O 3.1Å; C192-E194 HydrophobicContact CB-CG 4.27Å; C192-E194 PolarHBondContact O-N 2.91Å
195E87.2Confident82.4Confident143 Ų14374.7 Ų74.767%0.66839%0.393SS*.EExtended strand (participates in β ladder)trans-69.5142.7175-64.1178.6141.800110.7Q197E195-Q197 PolarHBondContact O-N 3.29Å
196F86.2Confident83.8Confident30 Ų3069.1 Ų69.113%0.13237%0.373CS..PPolyproline II helixtrans-66.5117.4175.7-69.4-49.1000111V180 I187 C189 V202 R210 H212V180-F196 HydrophobicContact CG1-CB 4.16Å; V180-F196 HydrophobicContact CG2-CB 3.98Å; V180-F196 HydrophobicContact CG2-CG 4.34Å; I187-F196 VanDerWaalsContact C-CD2 3.49Å; I187-F196 HydrophobicContact CB-CD2 3.8Å; I187-F196 HydrophobicContact CB-CE2 3.78Å; I187-F196 HydrophobicContact CG2-CD2 4.23Å; I187-F196 HydrophobicContact CG2-CE2 3.66Å; I187-F196 WeakPolarHBondContact O-CD2 3.39Å; I187-F196 WeakPolarHBondContact O-CE2 3.21Å; I187-F196 WeakPolarHBondContact O-CG 3.47Å; I187-F196 PolarHBondContact O-N 3.4Å; C189-F196 HydrophobicContact CB-CE1 3.72Å; C189-F196 HydrophobicContact CB-CZ 3.89Å; F196-V202 HydrophobicContact CD1-CG1 3.33Å; F196-V202 HydrophobicContact CE1-CG1 3.48Å; F196-V202 VanDerWaalsContact CE1-CG1 3.48Å; F196-V202 HydrophobicContact CG-CG1 3.97Å; F196-V202 HydrophobicContact CZ-CG1 4.21Å; F196-R210 HydrophobicContact CE2-CB 3.91Å; F196-R210 HydrophobicContact CZ-CB 4.06Å; F196-R210 WeakPolarHBondContact CZ-O 3.34Å; F196-H212 AromaticContact CD1-CD2 3.61Å; F196-H212 AromaticContact CD1-CE1 3.89Å; F196-H212 AromaticContact CD1-NE2 3.3Å; F196-H212 VanDerWaalsContact CD1-NE2 3.3Å; F196-H212 WeakPolarHBondContact CD1-NE2 3.41Å; F196-H212 AromaticContact CE1-CD2 3.74Å; F196-H212 AromaticContact CE1-CE1 3.95Å; F196-H212 AromaticContact CE1-NE2 3.7Å
197Q81.2Confident85.3Confident154 Ų15466 Ų6672%0.7235%0.346SS*.PPolyproline II helixtrans-82.9147.8174.8-66.9-177.5-7.700111.2V180 E195 G199 S200V180-Q197 WeakPolarHBondContact CB-O 3.35Å; E195-Q197 PolarHBondContact O-N 3.29Å; Q197-G199 PolarHBondContact O-N 3.19Å; Q197-S200 WeakPolarHBondContact O-CB 3.45Å; Q197-S200 PolarHBondContact O-N 3.11Å; Q197-S200 PolarHBondContact O-OG 3.44Å
198E82.1Confident85.8Confident132 Ų13267.2 Ų67.262%0.61735%0.353SS*.THydrogen-bonded Turntrans-55.7130.3173.3-60.2-179.3-179.700110.8S182 S200S182-E198 WeakPolarHBondContact CA-OE1 3.46Å; S182-E198 WeakPolarHBondContact CB-OE1 3.5Å; S182-E198 VanDerWaalsContact OG-CD 3.23Å; S182-E198 PolarHBondContact OG-OE1 3.04Å; E198-S200 VanDerWaalsContact C-N 3.27Å; E198-S200 PolarHBondContact O-N 3.43Å
199G81.6Confident85.8Confident53 Ų5365.1 Ų65.155%0.54634%0.343SS..THydrogen-bonded Turntrans81.7-4.4-176.800000115.2V180 Q197V180-G199 PolarHBondContact O-N 3.5Å; Q197-G199 PolarHBondContact O-N 3.19Å
200S83.7Confident85.8Confident24 Ų2467.2 Ų67.217%0.16835%0.351CS..  trans-66.1144.3170.4680000111.4V180 Q197 E198V180-S200 WeakPolarHBondContact CG2-OG 3.42Å; V180-S200 PolarHBondContact N-O 3.32Å; Q197-S200 WeakPolarHBondContact O-CB 3.45Å; Q197-S200 PolarHBondContact O-N 3.11Å; Q197-S200 PolarHBondContact O-OG 3.44Å; E198-S200 VanDerWaalsContact C-N 3.27Å; E198-S200 PolarHBondContact O-N 3.43Å
201T88.6Confident86Confident58 Ų5865 Ų6536%0.35634%0.335SS..EExtended strand (participates in β ladder)trans-83.8116.7175490000110.2V177 D213V177-T201 HydrophobicContact CG1-CG2 4.4Å; T201-D213 PolarHBondContact O-N 3.25Å
202V88.9Confident86.1Confident0 Ų063.1 Ų63.10%032%0.323CS..EExtended strand (participates in β ladder)trans-114.9137.7177.7-66.20000110.3V177 E178 V180 F196 F211V177-V202 CarbonylContact C-O 3.59Å; V177-V202 WeakPolarHBondContact CA-O 3.37Å; E178-V202 HydrophobicContact CB-CG2 4.07Å; E178-V202 PolarHBondContact N-O 3.43Å; E178-V202 WeakPolarHBondContact O-CG2 3.29Å; E178-V202 PolarHBondContact O-N 2.89Å; V180-V202 HydrophobicContact CG2-CB 4.17Å; V180-V202 HydrophobicContact CG2-CG1 3.41Å; V180-V202 VanDerWaalsContact CG2-CG1 3.41Å; V180-V202 HydrophobicContact CG2-CG2 3.63Å; F196-V202 HydrophobicContact CD1-CG1 3.33Å; F196-V202 HydrophobicContact CE1-CG1 3.48Å; F196-V202 VanDerWaalsContact CE1-CG1 3.48Å; F196-V202 HydrophobicContact CG-CG1 3.97Å; F196-V202 HydrophobicContact CZ-CG1 4.21Å; V202-F211 CarbonylContact C-O 3.46Å; V202-F211 WeakPolarHBondContact CA-O 3.47Å
203R87.7Confident86.1Confident15 Ų1563.2 Ų63.26%0.05732%0.321CS..EExtended strand (participates in β ladder)trans-96.2128.6170.1-78.6-171.4-171.3-90.7-6.9109.2I172 I175 V177 F211 D213 I216I172-R203 PolarHBondContact O-NH1 2.83Å; I175-R203 HydrophobicContact CG2-CB 4.39Å; I175-R203 PolarHBondContact O-NH1 3.01Å; I175-R203 VanDerWaalsContact O-NH1 3.1Å; V177-R203 HydrophobicContact CG2-CG 3.93Å; R203-F211 PolarHBondContact N-O 3.41Å; R203-F211 PolarHBondContact O-N 3.37Å; R203-F211 VanDerWaalsContact O-N 3.15Å; R203-D213 HydrophobicContact CG-CB 4.4Å; R203-D213 IonicContact CZ-OD1 2.91Å; R203-D213 IonicContact NE-OD1 3.49Å; R203-D213 PolarHBondContact NE-OD1 2.7Å; R203-D213 IonicContact NH2-OD1 2.75Å; R203-D213 PolarHBondContact NH2-OD1 3.11Å; R203-I216 HydrophobicContact CB-CG2 3.86Å; R203-I216 HydrophobicContact CG-CG2 4.24Å
204R87.6Confident86.3Confident85 Ų8560.1 Ų60.132%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-100.2116.5174.1-176.5179.1174.1178.61.1109.3I175 P176 E178 N208 R210I175-R204 WeakPolarHBondContact CG2-O 3.27Å; P176-R204 PolarHBondContact O-N 3.47Å; E178-R204 WeakPolarHBondContact OE1-CD 3.41Å; E178-R204 IonicContact OE1-NH1 3.92Å; E178-R204 PolarHBondContact OE1-NH1 2.98Å; R204-N208 PolarHBondContact NE-OD1 3.3Å; R204-N208 PolarHBondContact NH2-OD1 3.47Å; R204-R210 HydrophobicContact CG-CG 4.47Å
205L86.6Confident86.4Confident3 Ų355.7 Ų55.72%0.01630%0.298CS..PPolyproline II helixtrans-75.6160176.6-71.4132.2000111.2C207 N208 H209 F211 I216 L220 I233L205-C207 VanDerWaalsContact CB-SG 3.57Å; L205-C207 PolarHBondContact O-N 3.44Å; L205-N208 WeakPolarHBondContact O-CA 3.24Å; L205-N208 PolarHBondContact O-N 2.95Å; L205-H209 PolarHBondContact N-O 2.85Å; L205-F211 HydrophobicContact CD1-CD2 3.26Å; L205-F211 HydrophobicContact CD1-CE2 3.16Å; L205-F211 HydrophobicContact CD1-CZ 4.36Å; L205-I216 HydrophobicContact CD1-CD1 4.22Å; L205-I216 HydrophobicContact CD1-CG1 4.23Å; L205-L220 HydrophobicContact CD2-CD2 4.45Å; L205-I233 HydrophobicContact CD2-CB 4.31Å; L205-I233 HydrophobicContact CD2-CD1 3.12Å; L205-I233 HydrophobicContact CD2-CG1 3.38Å; L205-I233 HydrophobicContact CD2-CG2 3.97Å
206P83.7Confident86.5Confident67 Ų6748.9 Ų48.944%0.43527%0.266SS..THydrogen-bonded Turntrans-61.3-15.3177.224.5-35.3000113.9N208 I233P206-N208 VanDerWaalsContact C-N 3.3Å; P206-I233 HydrophobicContact CG-CG2 4.11Å
207C84.5Confident86.5Confident24 Ų2449 Ų4916%0.16227%0.268CS..THydrogen-bonded Turntrans-85.34.7172.658.20000114.2L205 H209 C226 C229 K231L205-C207 VanDerWaalsContact CB-SG 3.57Å; L205-C207 PolarHBondContact O-N 3.44Å; C207-H209 VanDerWaalsContact C-N 3.29Å; C207-H209 PolarHBondContact O-N 3.27Å; C207-H209 PolarHBondContact SG-ND1 3.42Å; C207-C226 PolarHBondContact SG-SG 2.67Å; C207-C229 VanDerWaalsContact CB-SG 3.54Å; C207-C229 VanDerWaalsContact SG-SG 3.6Å; C207-K231 HydrophobicContact CB-CD 4.24Å
208N84.4Confident86.8Confident103 Ų10344.7 Ų44.755%0.55125%0.254SS*.SBendtrans70.34.8-175.8-58.3-57.5000116.8R204 L205 P206R204-N208 PolarHBondContact NE-OD1 3.3Å; R204-N208 PolarHBondContact NH2-OD1 3.47Å; L205-N208 WeakPolarHBondContact O-CA 3.24Å; L205-N208 PolarHBondContact O-N 2.95Å; P206-N208 VanDerWaalsContact C-N 3.3Å
209H86.6Confident87Confident58 Ų5842.6 Ų42.627%0.26924%0.241SC..  trans-76.2140.5170.7-62.4101.9000111L205 C207 F211 V228 C229L205-H209 PolarHBondContact N-O 2.85Å; C207-H209 VanDerWaalsContact C-N 3.29Å; C207-H209 PolarHBondContact O-N 3.27Å; C207-H209 PolarHBondContact SG-ND1 3.42Å; H209-F211 HydrophobicContact CB-CD2 4.45Å; H209-F211 HydrophobicContact CB-CE2 3.52Å; H209-F211 HydrophobicContact CB-CZ 4.09Å; H209-V228 VanDerWaalsContact CD2-CG1 3.43Å; H209-V228 WeakPolarHBondContact CD2-CG1 3.34Å; H209-V228 WeakPolarHBondContact NE2-CG1 3.3Å; H209-C229 VanDerWaalsContact CE1-SG 3.54Å; H209-C229 PolarHBondContact ND1-SG 2.84Å
210R88.4Confident87.1Confident44 Ų4440.1 Ų40.117%0.16622%0.215CC..EExtended strand (participates in β ladder)trans-112.4139.8-177.1-63.8176.6170.2-164.9-12.7110.2E178 E184 F196 R204E178-R210 IonicContact OE2-NH2 2.87Å; E178-R210 PolarHBondContact OE2-NH2 3.09Å; E184-R210 IonicContact OE1-CZ 3.35Å; E184-R210 IonicContact OE1-NH1 2.92Å; E184-R210 PolarHBondContact OE1-NH1 2.96Å; E184-R210 IonicContact OE1-NH2 3.47Å; E184-R210 PolarHBondContact OE1-NH2 2.81Å; E184-R210 IonicContact OE2-CZ 3.7Å; E184-R210 IonicContact OE2-NH1 2.74Å; E184-R210 PolarHBondContact OE2-NH1 3.29Å; E184-R210 IonicContact OE2-NH2 2.93Å; F196-R210 HydrophobicContact CE2-CB 3.91Å; F196-R210 HydrophobicContact CZ-CB 4.06Å; F196-R210 WeakPolarHBondContact CZ-O 3.34Å; R204-R210 HydrophobicContact CG-CG 4.47Å
211F89.7Confident87Confident2 Ų243.8 Ų43.81%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-145.9155.9178.9-59.5-95.5000109.6S190 V191 V202 R203 L205 H209 D213 I216 P227 V228S190-F211 VanDerWaalsContact OG-CE1 3.26Å; S190-F211 WeakPolarHBondContact OG-CE1 3.45Å; V191-F211 HydrophobicContact CG2-CD1 3.68Å; V191-F211 HydrophobicContact CG2-CE1 3.91Å; V202-F211 CarbonylContact C-O 3.46Å; V202-F211 WeakPolarHBondContact CA-O 3.47Å; R203-F211 PolarHBondContact N-O 3.41Å; R203-F211 PolarHBondContact O-N 3.37Å; R203-F211 VanDerWaalsContact O-N 3.15Å; L205-F211 HydrophobicContact CD1-CD2 3.26Å; L205-F211 HydrophobicContact CD1-CE2 3.16Å; L205-F211 HydrophobicContact CD1-CZ 4.36Å; H209-F211 HydrophobicContact CB-CD2 4.45Å; H209-F211 HydrophobicContact CB-CE2 3.52Å; H209-F211 HydrophobicContact CB-CZ 4.09Å; F211-D213 PolarHBondContact O-N 2.92Å; F211-I216 HydrophobicContact CB-CB 3.71Å; F211-I216 HydrophobicContact CB-CD1 4.44Å; F211-I216 HydrophobicContact CB-CG1 4.21Å; F211-I216 HydrophobicContact CB-CG2 4.25Å; F211-I216 HydrophobicContact CD1-CD1 4.33Å; F211-I216 HydrophobicContact CD2-CD1 4.01Å; F211-I216 HydrophobicContact CD2-CG1 4.24Å; F211-I216 HydrophobicContact CE2-CD1 4.32Å; F211-I216 HydrophobicContact CG-CB 4.24Å; F211-I216 HydrophobicContact CG-CD1 4.01Å; F211-I216 HydrophobicContact CG-CG1 4.25Å; F211-P227 HydrophobicContact CE1-CB 4.1Å; F211-P227 HydrophobicContact CE1-CG 3.84Å; F211-P227 HydrophobicContact CZ-CB 4.13Å; F211-P227 HydrophobicContact CZ-CG 3.85Å; F211-V228 HydrophobicContact CE1-CG2 4.19Å; F211-V228 HydrophobicContact CZ-CG2 3.69Å
212H89.8Confident86.4Confident20 Ų2046.8 Ų46.89%0.09324%0.243CC..EExtended strand (participates in β ladder)trans-60.3136.2168.5-62.5120.2000109.8C189 C192 F196 P214 C215 I216C189-H212 VanDerWaalsContact CB-ND1 3.33Å; C189-H212 WeakPolarHBondContact CB-ND1 3.47Å; C192-H212 VanDerWaalsContact SG-CE1 3.54Å; C192-H212 PolarHBondContact SG-ND1 3.16Å; F196-H212 AromaticContact CD1-CD2 3.61Å; F196-H212 AromaticContact CD1-CE1 3.89Å; F196-H212 AromaticContact CD1-NE2 3.3Å; F196-H212 VanDerWaalsContact CD1-NE2 3.3Å; F196-H212 WeakPolarHBondContact CD1-NE2 3.41Å; F196-H212 AromaticContact CE1-CD2 3.74Å; F196-H212 AromaticContact CE1-CE1 3.95Å; F196-H212 AromaticContact CE1-NE2 3.7Å; H212-P214 HydrophobicContact CB-CG 4.14Å; H212-C215 HydrophobicContact CB-CB 3.95Å; H212-C215 PolarHBondContact O-N 3.42Å; H212-I216 WeakPolarHBondContact O-CG2 3.21Å; H212-I216 PolarHBondContact O-N 3.16Å
213D88.1Confident85.9Confident42 Ų4249 Ų4923%0.22525%0.253CS..Hα-helixtrans-44.3-53.2172.1178.885.6000112.9T201 R203 F211 C215 I216 V217T201-D213 PolarHBondContact O-N 3.25Å; R203-D213 HydrophobicContact CG-CB 4.4Å; R203-D213 IonicContact CZ-OD1 2.91Å; R203-D213 IonicContact NE-OD1 3.49Å; R203-D213 PolarHBondContact NE-OD1 2.7Å; R203-D213 IonicContact NH2-OD1 2.75Å; R203-D213 PolarHBondContact NH2-OD1 3.11Å; F211-D213 PolarHBondContact O-N 2.92Å; D213-C215 VanDerWaalsContact C-N 3.27Å; D213-C215 PolarHBondContact O-N 3.19Å; D213-I216 PolarHBondContact O-N 3.33Å; D213-V217 WeakPolarHBondContact O-CB 3.03Å; D213-V217 WeakPolarHBondContact O-CG2 3.37Å; D213-V217 PolarHBondContact O-N 2.99Å; D213-V217 VanDerWaalsContact O-N 3.16Å
214P89.2Confident85.4Confident84 Ų8449.3 Ų49.355%0.54526%0.256SS..Hα-helixtrans-67.8-2217926.9-37.8000114.3H212 P218H212-P214 HydrophobicContact CB-CG 4.14Å; P214-P218 WeakPolarHBondContact O-CD 3.48Å; P214-P218 WeakPolarHBondContact O-CG 3.38Å
215C89.4Confident85.2Confident29 Ų2946.7 Ų46.720%0.19625%0.25CS..Hα-helixtrans-83-38.1-179.4-66.20000112.1V191 H212 D213V191-C215 HydrophobicContact CB-CB 3.95Å; V191-C215 HydrophobicContact CG1-CB 3.84Å; H212-C215 HydrophobicContact CB-CB 3.95Å; H212-C215 PolarHBondContact O-N 3.42Å; D213-C215 VanDerWaalsContact C-N 3.27Å; D213-C215 PolarHBondContact O-N 3.19Å
216I88Confident85.2Confident0 Ų046.6 Ų46.60%025%0.25CC..Hα-helixtrans-86.4-30.1-175.9-16558.7000112.6R203 L205 F211 H212 D213 W219 L220 P227R203-I216 HydrophobicContact CB-CG2 3.86Å; R203-I216 HydrophobicContact CG-CG2 4.24Å; L205-I216 HydrophobicContact CD1-CD1 4.22Å; L205-I216 HydrophobicContact CD1-CG1 4.23Å; F211-I216 HydrophobicContact CB-CB 3.71Å; F211-I216 HydrophobicContact CB-CD1 4.44Å; F211-I216 HydrophobicContact CB-CG1 4.21Å; F211-I216 HydrophobicContact CB-CG2 4.25Å; F211-I216 HydrophobicContact CD1-CD1 4.33Å; F211-I216 HydrophobicContact CD2-CD1 4.01Å; F211-I216 HydrophobicContact CD2-CG1 4.24Å; F211-I216 HydrophobicContact CE2-CD1 4.32Å; F211-I216 HydrophobicContact CG-CB 4.24Å; F211-I216 HydrophobicContact CG-CD1 4.01Å; F211-I216 HydrophobicContact CG-CG1 4.25Å; H212-I216 WeakPolarHBondContact O-CG2 3.21Å; H212-I216 PolarHBondContact O-N 3.16Å; D213-I216 PolarHBondContact O-N 3.33Å; I216-W219 HydrophobicContact CD1-CB 4.3Å; I216-W219 HydrophobicContact CD1-CG 4.31Å; I216-W219 WeakPolarHBondContact O-CB 3.28Å; I216-W219 PolarHBondContact O-N 2.75Å; I216-L220 HydrophobicContact CD1-CD2 4.39Å; I216-L220 HydrophobicContact CD1-CG 4.26Å; I216-L220 HydrophobicContact CG1-CD1 3.85Å; I216-L220 HydrophobicContact CG1-CD2 4.44Å; I216-L220 HydrophobicContact CG1-CG 3.91Å; I216-L220 VanDerWaalsContact O-CG 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.43Å; I216-L220 PolarHBondContact O-N 2.91Å; I216-P227 HydrophobicContact CD1-CG 3.9Å
217V86.7Confident85.3Confident31 Ų3145.2 Ų45.219%0.18824%0.241CC..Hα-helixtrans-57.8-48.2-178.7167.90000112.4I172 D213 W219 L220 Q221I172-V217 HydrophobicContact CG2-CG1 4.47Å; I172-V217 HydrophobicContact CG2-CG2 3.96Å; D213-V217 WeakPolarHBondContact O-CB 3.03Å; D213-V217 WeakPolarHBondContact O-CG2 3.37Å; D213-V217 PolarHBondContact O-N 2.99Å; D213-V217 VanDerWaalsContact O-N 3.16Å; V217-W219 VanDerWaalsContact C-N 3.32Å; V217-W219 PolarHBondContact O-N 3.22Å; V217-L220 PolarHBondContact O-N 3.29Å; V217-Q221 WeakPolarHBondContact O-CG 3.36Å; V217-Q221 PolarHBondContact O-N 3.11Å; V217-Q221 VanDerWaalsContact O-N 3.16Å
218P87Confident85.3Confident65 Ų6547.6 Ų47.642%0.42226%0.255SS..Hα-helixtrans-62.4-38.2176.5-22.233.8000112.9P214 Q221P214-P218 WeakPolarHBondContact O-CD 3.48Å; P214-P218 WeakPolarHBondContact O-CG 3.38Å; P218-Q221 PolarHBondContact O-N 3.48Å
219W86.8Confident85.3Confident88 Ų8844.5 Ų44.533%0.33324%0.24SC..Hα-helixtrans-61.6-44.8175.7175.8-86.6000111.4I216 V217 Q221 L222 H223 S225 P227I216-W219 HydrophobicContact CD1-CB 4.3Å; I216-W219 HydrophobicContact CD1-CG 4.31Å; I216-W219 WeakPolarHBondContact O-CB 3.28Å; I216-W219 PolarHBondContact O-N 2.75Å; V217-W219 VanDerWaalsContact C-N 3.32Å; V217-W219 PolarHBondContact O-N 3.22Å; W219-Q221 VanDerWaalsContact C-N 3.29Å; W219-Q221 PolarHBondContact O-N 2.65Å; W219-L222 PolarHBondContact O-N 3.21Å; W219-L222 VanDerWaalsContact O-N 3.11Å; W219-H223 AromaticContact CE2-CD2 3.94Å; W219-H223 AromaticContact CH2-CD2 3.98Å; W219-H223 HydrophobicContact CZ2-CB 4.26Å; W219-H223 AromaticContact CZ2-CD2 3.94Å; W219-H223 PolarHBondContact O-N 2.98Å; W219-S225 PolarHBondContact NE1-O 3.29Å; W219-P227 HydrophobicContact CD2-CG 3.91Å; W219-P227 HydrophobicContact CG-CG 4Å; W219-P227 HydrophobicContact CZ2-CB 4.3Å; W219-P227 HydrophobicContact CZ2-CG 4.21Å
220L84.5Confident85Confident0 Ų050.5 Ų50.50%026%0.261CS..Hα-helixtrans-70.4-23.1-178.1-65-178.9000114.5L167 I172 I175 L205 I216 V217 L222 H223 I233L167-L220 VanDerWaalsContact CB-O 3.27Å; L167-L220 WeakPolarHBondContact CB-O 3.15Å; L167-L220 HydrophobicContact CD2-CB 4.42Å; I172-L220 HydrophobicContact CD1-CB 3.82Å; I172-L220 HydrophobicContact CG1-CB 3.85Å; I172-L220 HydrophobicContact CG2-CB 4.46Å; I172-L220 HydrophobicContact CG2-CD1 4.14Å; I175-L220 HydrophobicContact CD1-CD1 3.56Å; L205-L220 HydrophobicContact CD2-CD2 4.45Å; I216-L220 HydrophobicContact CD1-CD2 4.39Å; I216-L220 HydrophobicContact CD1-CG 4.26Å; I216-L220 HydrophobicContact CG1-CD1 3.85Å; I216-L220 HydrophobicContact CG1-CD2 4.44Å; I216-L220 HydrophobicContact CG1-CG 3.91Å; I216-L220 VanDerWaalsContact O-CG 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.43Å; I216-L220 PolarHBondContact O-N 2.91Å; V217-L220 PolarHBondContact O-N 3.29Å; L220-L222 PolarHBondContact O-N 3.29Å; L220-H223 WeakPolarHBondContact CA-O 3.32Å; L220-I233 HydrophobicContact CD1-CD1 4.46Å; L220-I233 HydrophobicContact CD2-CD1 2.99Å; L220-I233 HydrophobicContact CD2-CG1 4.47Å; L220-I233 HydrophobicContact CG-CD1 4.32Å
221Q80.5Confident84.5Confident101 Ų10154.8 Ų54.847%0.47228%0.281SS..Hα-helixtrans-68.1-27.8171.9-71.6172.9-0.200112P166 I172 V217 P218 W219P166-Q221 WeakPolarHBondContact CB-O 3.27Å; I172-Q221 HydrophobicContact CD1-CG 3.73Å; V217-Q221 WeakPolarHBondContact O-CG 3.36Å; V217-Q221 PolarHBondContact O-N 3.11Å; V217-Q221 VanDerWaalsContact O-N 3.16Å; P218-Q221 PolarHBondContact O-N 3.48Å; W219-Q221 VanDerWaalsContact C-N 3.29Å; W219-Q221 PolarHBondContact O-N 2.65Å
222L76.9Confident84.1Confident122 Ų12257.4 Ų57.464%0.63929%0.293SS*.Hα-helixtrans-99.2-35.3-179.5-64.9168.5000112.3W219 L220W219-L222 PolarHBondContact O-N 3.21Å; W219-L222 VanDerWaalsContact O-N 3.11Å; L220-L222 PolarHBondContact O-N 3.29Å
223H77.6Confident83.5Confident46 Ų4657.2 Ų57.221%0.21329%0.292CS..  trans-135.5124.4-171.5-54.9-61.5000111.6W219 L220 S225W219-H223 AromaticContact CE2-CD2 3.94Å; W219-H223 AromaticContact CH2-CD2 3.98Å; W219-H223 HydrophobicContact CZ2-CB 4.26Å; W219-H223 AromaticContact CZ2-CD2 3.94Å; W219-H223 PolarHBondContact O-N 2.98Å; L220-H223 WeakPolarHBondContact CA-O 3.32Å; H223-S225 PolarHBondContact O-N 3.31Å; H223-S225 VanDerWaalsContact O-N 3.09Å
224N78.5Confident82.5Confident22 Ų2258.6 Ų58.612%0.11830%0.299CS..SBendtrans-79.919.6176.374.3-18.9000113.9E232 I233N224-E232 PolarHBondContact ND2-OE1 3.01Å; N224-E232 WeakPolarHBondContact O-CA 3.27Å; N224-I233 PolarHBondContact O-N 3.18Å
225S82.9Confident80.9Confident30 Ų3061.2 Ų61.221%0.2130%0.298CS..BIsolated β-bridgetrans-121.6151.7-172.666.90000111.9W219 H223 K231W219-S225 PolarHBondContact NE1-O 3.29Å; H223-S225 PolarHBondContact O-N 3.31Å; H223-S225 VanDerWaalsContact O-N 3.09Å; S225-K231 WeakPolarHBondContact CA-O 3.49Å
226C85.5Confident79Confident0 Ų066.7 Ų66.70%032%0.321CS..  trans-74.6132176.1175.40000111.4C207 V228 C229 R230 K231C207-C226 PolarHBondContact SG-SG 2.67Å; C226-V228 PolarHBondContact O-N 3.01Å; C226-V228 PolarHBondContact SG-N 2.9Å; C226-C229 VanDerWaalsContact CB-SG 3.58Å; C226-C229 VanDerWaalsContact SG-SG 3.62Å; C226-R230 WeakPolarHBondContact O-CA 3.15Å; C226-R230 PolarHBondContact O-N 3.44Å; C226-K231 PolarHBondContact N-O 2.96Å
227P85.5Confident76.9Confident38 Ų3873 Ų7325%0.24736%0.36CS..THydrogen-bonded Turntrans-56.9-32.4177.7-23.229.1000114.5V191 F211 I216 W219V191-P227 HydrophobicContact CG2-CG 4.47Å; F211-P227 HydrophobicContact CE1-CB 4.1Å; F211-P227 HydrophobicContact CE1-CG 3.84Å; F211-P227 HydrophobicContact CZ-CB 4.13Å; F211-P227 HydrophobicContact CZ-CG 3.85Å; I216-P227 HydrophobicContact CD1-CG 3.9Å; W219-P227 HydrophobicContact CD2-CG 3.91Å; W219-P227 HydrophobicContact CG-CG 4Å; W219-P227 HydrophobicContact CZ2-CB 4.3Å; W219-P227 HydrophobicContact CZ2-CG 4.21Å
228V85.5Confident75Confident75 Ų7581.6 Ų81.646%0.45539%0.388SS..THydrogen-bonded Turntrans-87.2-46.2-173.8177.30000112.2S190 H209 F211 C226S190-V228 WeakPolarHBondContact OG-CG2 3.32Å; H209-V228 VanDerWaalsContact CD2-CG1 3.43Å; H209-V228 WeakPolarHBondContact CD2-CG1 3.34Å; H209-V228 WeakPolarHBondContact NE2-CG1 3.3Å; F211-V228 HydrophobicContact CE1-CG2 4.19Å; F211-V228 HydrophobicContact CZ-CG2 3.69Å; C226-V228 PolarHBondContact O-N 3.01Å; C226-V228 PolarHBondContact SG-N 2.9Å
229C84.6Confident73Confident37 Ų3788.6 Ų88.625%0.2541%0.406CS..THydrogen-bonded Turntrans-113.20.3-172.964.60000114.9C207 H209 C226 K231C207-C229 VanDerWaalsContact CB-SG 3.54Å; C207-C229 VanDerWaalsContact SG-SG 3.6Å; H209-C229 VanDerWaalsContact CE1-SG 3.54Å; H209-C229 PolarHBondContact ND1-SG 2.84Å; C226-C229 VanDerWaalsContact CB-SG 3.58Å; C226-C229 VanDerWaalsContact SG-SG 3.62Å; C229-K231 HydrophobicContact CB-CG 4.35Å; C229-K231 PolarHBondContact O-N 2.78Å
230R79.9Confident71.2Confident184 Ų18494.6 Ų94.669%0.69443%0.429SS*.  trans56.410.7-178.6-54.3-177.1-178-165-0.5115C226C226-R230 WeakPolarHBondContact O-CA 3.15Å; C226-R230 PolarHBondContact O-N 3.44Å
231K78.8Confident69Low135 Ų13599.4 Ų99.459%0.58746%0.46SS*.  trans-71.4133.5175.4-67.5179.6-176.7174.80110.1C207 S225 C226 C229C207-K231 HydrophobicContact CB-CD 4.24Å; S225-K231 WeakPolarHBondContact CA-O 3.49Å; C226-K231 PolarHBondContact N-O 2.96Å; C229-K231 HydrophobicContact CB-CG 4.35Å; C229-K231 PolarHBondContact O-N 2.78Å
232E79.8Confident67.1Low57 Ų57103.9 Ų103.927%0.26648%0.478SS..BIsolated β-bridgetrans-63132.2172.4-175.4173.3-152.200110.8N224 L234 R235N224-E232 PolarHBondContact ND2-OE1 3.01Å; N224-E232 WeakPolarHBondContact O-CA 3.27Å; E232-L234 HydrophobicContact CG-CB 4.49Å; E232-R235 HydrophobicContact CB-CG 4.25Å; E232-R235 HydrophobicContact CG-CG 4.36Å; E232-R235 IonicContact OE2-CZ 2.62Å; E232-R235 IonicContact OE2-NE 3.36Å; E232-R235 PolarHBondContact OE2-NE 2.87Å; E232-R235 IonicContact OE2-NH2 2.94Å; E232-R235 PolarHBondContact OE2-NH2 3.5Å
233I78.1Confident65.7Low15 Ų15107.2 Ų107.28%0.07749%0.488CS..SBendtrans-81.2-30.5-171.9-64.3159.4000110.4I175 L205 P206 L220 N224 R235I175-I233 HydrophobicContact CD1-CG2 3.9Å; I175-I233 HydrophobicContact CG1-CG2 4.49Å; L205-I233 HydrophobicContact CD2-CB 4.31Å; L205-I233 HydrophobicContact CD2-CD1 3.12Å; L205-I233 HydrophobicContact CD2-CG1 3.38Å; L205-I233 HydrophobicContact CD2-CG2 3.97Å; P206-I233 HydrophobicContact CG-CG2 4.11Å; L220-I233 HydrophobicContact CD1-CD1 4.46Å; L220-I233 HydrophobicContact CD2-CD1 2.99Å; L220-I233 HydrophobicContact CD2-CG1 4.47Å; L220-I233 HydrophobicContact CG-CD1 4.32Å; N224-I233 PolarHBondContact O-N 3.18Å; I233-R235 VanDerWaalsContact C-N 3.33Å; I233-R235 PolarHBondContact O-N 2.99Å
234L67.8Low64.3Low71 Ų71111 Ų11137%0.37251%0.508SS..  trans-81.371.8172.2-68.9-175.6000111.8L167 E171 E232L167-L234 HydrophobicContact CD1-CD1 3.27Å; L167-L234 HydrophobicContact CD1-CD2 3.74Å; L167-L234 HydrophobicContact CD1-CG 3.44Å; L167-L234 VanDerWaalsContact CD1-CG 3.44Å; E171-L234 HydrophobicContact CB-CD2 4.37Å; E171-L234 HydrophobicContact CG-CD2 4.35Å; E232-L234 HydrophobicContact CG-CB 4.49Å
235R54.7Low62.6Low139 Ų139120.6 Ų120.653%0.52554%0.543SS..  trans-130.342.8171.2-70.9-165.6176-137.7-0.7114.4E232 I233E232-R235 HydrophobicContact CB-CG 4.25Å; E232-R235 HydrophobicContact CG-CG 4.36Å; E232-R235 IonicContact OE2-CZ 2.62Å; E232-R235 IonicContact OE2-NE 3.36Å; E232-R235 PolarHBondContact OE2-NE 2.87Å; E232-R235 IonicContact OE2-NH2 2.94Å; E232-R235 PolarHBondContact OE2-NH2 3.5Å; I233-R235 VanDerWaalsContact C-N 3.33Å; I233-R235 PolarHBondContact O-N 2.99Å
236H50.1Low60.8Low145 Ų145125 Ų12567%0.67157%0.569SS**SBendtrans-121.325.7172.3-78.7-35.1000116.7
237T42.7Very low59.3Low133 Ų133131.5 Ų131.582%0.81660%0.602SS**SBendtrans-121.510.2167.450.10000115.9
238R47Very low57.2Low210 Ų210138.5 Ų138.579%0.79263%0.632SS**  trans-145.238.9168.9-61.9-77.8-174.5144.5-0.2114.3R240R238-R240 PolarHBondContact O-N 3.35Å
239R45.6Very low55.2Low212 Ų212143.6 Ų143.680%0.865%0.65SS**  trans-73.584.5148.7-72.2-134.9-175.6-164.23.4106.1
240R48.5Very low53.5Low215 Ų215148.5 Ų148.581%0.81168%0.679SS**  trans-55.2123.6158.8-84.7-174.7152.6-134.7-3.4105.2R238 F242R238-R240 PolarHBondContact O-N 3.35Å; R240-F242 PolarHBondContact O-N 3.33Å
241P38.6Very low52.2Low100 Ų100144 Ų14465%0.64968%0.681SS**  trans-55.1143.917823.3-30.2000107.4F243P241-F243 PolarHBondContact O-N 3.07Å
242F41.6Very low50.8Low195 Ų195142.5 Ų142.586%0.85569%0.685SS**  trans-46.692.3162.6-101.5-105000107.8R240 I244R240-F242 PolarHBondContact O-N 3.33Å; F242-I244 HydrophobicContact CD1-CG1 4.31Å; F242-I244 PolarHBondContact O-N 2.96Å
243F46.5Very low49.2Very low192 Ų192148.6 Ų148.684%0.84271%0.714SS**  trans-78.881.8161.8-128-87000104P241 R245P241-F243 PolarHBondContact O-N 3.07Å; F243-R245 VanDerWaalsContact C-N 3.29Å; F243-R245 PolarHBondContact O-N 2.7Å
244I48.7Very low48Very low125 Ų125155.5 Ų155.564%0.64175%0.751SS**  trans-52.7109.2153.8-67.3174.8000103.7F242 T246F242-I244 HydrophobicContact CD1-CG1 4.31Å; F242-I244 PolarHBondContact O-N 2.96Å; I244-T246 PolarHBondContact O-N 2.99Å
245R42.4Very low47.2Very low225 Ų225155 Ų15585%0.84976%0.763SS**  trans-66.192.2172.4-165.6179.3-177.7-165-0.8104.7F243 I247F243-R245 VanDerWaalsContact C-N 3.29Å; F243-R245 PolarHBondContact O-N 2.7Å; R245-I247 VanDerWaalsContact C-N 3.32Å; R245-I247 PolarHBondContact O-N 3.43Å
246T45.9Very low47.2Very low121 Ų121155.9 Ų155.974%0.74278%0.776SS**  trans-55.9107.5162.5-62.40000105.3I244 Q248I244-T246 PolarHBondContact O-N 2.99Å; T246-Q248 PolarHBondContact O-N 2.91Å; T246-Q248 VanDerWaalsContact O-N 3.12Å
247I53.1Low47Very low138 Ų138157.5 Ų157.571%0.70878%0.784SS**  trans-55.9115.6170.2-63.6173.5000104.6R245 E249R245-I247 VanDerWaalsContact C-N 3.32Å; R245-I247 PolarHBondContact O-N 3.43Å; I247-E249 VanDerWaalsContact C-N 3.34Å; I247-E249 PolarHBondContact O-N 3.06Å
248Q41.4Very low47.4Very low185 Ų185159 Ų15986%0.86479%0.786SS**  trans-61.8107.5163.5-88.2177.3-79.300105.9T246 V250T246-Q248 PolarHBondContact O-N 2.91Å; T246-Q248 VanDerWaalsContact O-N 3.12Å; Q248-V250 PolarHBondContact O-N 3.4Å; Q248-V250 VanDerWaalsContact O-N 3.16Å
249E44.1Very low47.5Very low181 Ų181160.3 Ų160.385%0.84681%0.809SS**  trans-49.1116.3169.2-73.3168.7131.900108.6I247 A251I247-E249 VanDerWaalsContact C-N 3.34Å; I247-E249 PolarHBondContact O-N 3.06Å; E249-A251 PolarHBondContact O-N 3.48Å; E249-A251 VanDerWaalsContact O-N 3.16Å
250V48.4Very low47.6Very low141 Ų141157.7 Ų157.786%0.85581%0.809SS**  trans-69103.9164.7178.20000105.4Q248Q248-V250 PolarHBondContact O-N 3.4Å; Q248-V250 VanDerWaalsContact O-N 3.16Å
251A52.5Low47.6Very low88 Ų88154.7 Ų154.773%0.72781%0.809SS**PPolyproline II helixtrans-68.4131.4171.700000109E249E249-A251 PolarHBondContact O-N 3.48Å; E249-A251 VanDerWaalsContact O-N 3.16Å
252P48.4Very low48.1Very low105 Ų105157.7 Ų157.768%0.68282%0.818SS**PPolyproline II helixtrans-76.6153.8-178.432-33.5000111.8
253E48.2Very low48.5Very low185 Ų185155.5 Ų155.586%0.86482%0.816SS**PPolyproline II helixtrans-52.6122.8174.147.3-135.197.500116.2
254D52.1Low48.6Very low159 Ų159153.3 Ų153.385%0.8581%0.814SS**  trans-140.2112.4152.3-68.9-57.9000104
255G50.2Low48.6Very low61 Ų61155.1 Ų155.163%0.62983%0.826SS**  87121.258.600000109.1
256I55.4Low49Very low157 Ų157150.1 Ų150.181%0.80582%0.824SS**  trans87.8127.8163.3-43149.8000112.6
257E45.3Very low49.2Very low180 Ų180152.4 Ų152.484%0.84183%0.831SS**  cis-160.9163.224.6-137.5151.1-171.300111.4
258L50.9Low48.9Very low163 Ų163153.6 Ų153.685%0.85384%0.841SS**  trans-78.9146.6178.5-65.5112.9000113.5
259D50.2Low49.6Very low238 Ų238150.7 Ų150.7100%1.27384%0.839SS**  -151.60124.8-142.2-86000109.2

Retrieved 259 of 259 residues in 321.5 ms (Link to these results)

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