A0A5K4EGB0_SCHMA Loading...

Glutamine-dependent NAD(+) synthetase

AlphaFold DB , UniProt , Accession A0A5K4EGB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low36.5Very low246 Ų246129.1 Ų129.1100%1.21272%0.724SS**  096.20-64.7-173-142.800107A3M1-A3 PolarHBondContact O-N 3.08Å
2S33.5Very low39.3Very low118 Ų118119.8 Ų119.883%0.82567%0.674SS**  trans-71.210516946.30000106.7E4S2-E4 PolarHBondContact O-N 3.2Å; S2-E4 VanDerWaalsContact O-N 3.08Å
3A31.9Very low42.7Very low88 Ų88112.4 Ų112.473%0.72763%0.632SS**  trans-63.3109.916900000106.9M1 V5M1-A3 PolarHBondContact O-N 3.08Å; A3-V5 PolarHBondContact O-N 2.81Å
4E32.1Very low46Very low175 Ų175108.1 Ų108.182%0.81860%0.603SS**  trans-54.5108.9161.5-78.7178.9153.500106.5S2 I6S2-E4 PolarHBondContact O-N 3.2Å; S2-E4 VanDerWaalsContact O-N 3.08Å; E4-I6 PolarHBondContact O-N 2.86Å
5V29.8Very low49.1Very low121 Ų121100.9 Ų100.973%0.73356%0.563SS**  trans-64.695.3166.1177.80000104.7A3 N7A3-V5 PolarHBondContact O-N 2.81Å; V5-N7 PolarHBondContact O-N 2.98Å
6I29.6Very low51.9Low124 Ų12494.6 Ų94.664%0.63653%0.528SS*.  trans-62.592.9165.3-57.7174000104.6E4 F8E4-I6 PolarHBondContact O-N 2.86Å; I6-F8 HydrophobicContact CB-CD2 4.31Å; I6-F8 HydrophobicContact CB-CE2 4.39Å; I6-F8 HydrophobicContact CG2-CD2 3.56Å; I6-F8 HydrophobicContact CG2-CE2 3.56Å; I6-F8 HydrophobicContact CG2-CG 4.41Å; I6-F8 HydrophobicContact CG2-CZ 4.4Å; I6-F8 PolarHBondContact O-N 2.82Å
7N27.9Very low54.6Low145 Ų14589.1 Ų89.178%0.77550%0.497SS*.  trans-6487.4167.1-104.9-11.9000106.2V5 S9V5-N7 PolarHBondContact O-N 2.98Å; N7-S9 PolarHBondContact O-N 3.12Å
8F32.7Very low57Low181 Ų18184.1 Ų84.179%0.79447%0.469SS*.  trans-64.287.4159.6-89.6-85.9000106.3I6I6-F8 HydrophobicContact CB-CD2 4.31Å; I6-F8 HydrophobicContact CB-CE2 4.39Å; I6-F8 HydrophobicContact CG2-CD2 3.56Å; I6-F8 HydrophobicContact CG2-CE2 3.56Å; I6-F8 HydrophobicContact CG2-CG 4.41Å; I6-F8 HydrophobicContact CG2-CZ 4.4Å; I6-F8 PolarHBondContact O-N 2.82Å
9S39.4Very low59.2Low57 Ų5779.7 Ų79.740%0.39945%0.445SS..  trans-59.8122.6165.3-1650000106.5N7 V11 D346N7-S9 PolarHBondContact O-N 3.12Å; S9-V11 PolarHBondContact O-N 2.93Å; S9-D346 VanDerWaalsContact CB-OD2 3.27Å; S9-D346 WeakPolarHBondContact CB-OD2 3.44Å; S9-D346 PolarHBondContact OG-OD2 3.46Å
10P51.3Low61.1Low108 Ų10875.8 Ų75.870%0.70142%0.423SS*.  trans-66.4107179.525.8-29.7000107.3S12P10-S12 PolarHBondContact O-N 2.81Å; P10-S12 VanDerWaalsContact O-N 3.13Å
11V56.7Low62.9Low57 Ų5772.2 Ų72.235%0.34540%0.403SS..  trans-60.3119.3-177.6-175.30000108.5S9 N13 Y186 D346S9-V11 PolarHBondContact O-N 2.93Å; V11-N13 PolarHBondContact O-N 3.26Å; V11-Y186 WeakPolarHBondContact CG1-O 3.4Å; V11-Y186 WeakPolarHBondContact CG2-O 3.42Å; V11-D346 VanDerWaalsContact CA-OD1 3.26Å; V11-D346 WeakPolarHBondContact CA-OD1 3.31Å
12S69.4Low65.8Low17 Ų1760.5 Ų60.512%0.11935%0.345CS..  trans-59128.8-180147.30000109.1P10 C343 H344 D346P10-S12 PolarHBondContact O-N 2.81Å; P10-S12 VanDerWaalsContact O-N 3.13Å; S12-C343 VanDerWaalsContact O-CB 3.25Å; S12-C343 WeakPolarHBondContact O-CB 3.43Å; S12-H344 WeakPolarHBondContact CB-O 3.32Å; S12-H344 PolarHBondContact OG-O 3.45Å; S12-D346 PolarHBondContact N-OD1 3.38Å
13N84.1Confident68.9Low24 Ų2454.9 Ų54.913%0.12831%0.306CS..  trans-111.117.8-174.568.9-26.4000111.3V11 C297 L298 N299V11-N13 PolarHBondContact O-N 3.26Å; N13-C297 PolarHBondContact ND2-SG 3.16Å; N13-L298 HydrophobicContact CB-CB 4.43Å; N13-L298 WeakPolarHBondContact O-CB 3.47Å; N13-L298 WeakPolarHBondContact O-CG 3.01Å; N13-L298 PolarHBondContact O-N 3.11Å; N13-N299 WeakPolarHBondContact ND2-CB 3.27Å; N13-N299 PolarHBondContact ND2-N 3.38Å; N13-N299 PolarHBondContact ND2-ND2 3.14Å; N13-N299 VanDerWaalsContact ND2-ND2 3.19Å; N13-N299 PolarHBondContact ND2-OD1 3.34Å
14K89.1Confident72.1Confident52 Ų5250.8 Ų50.823%0.22627%0.272CS..EExtended strand (participates in β ladder)trans-105.3133.8-179.4-64.7-179.2-174.4-179.30109.3T295 V296 C297 C343 H344 D350K14-T295 HydrophobicContact CB-CG2 4.05Å; K14-V296 VanDerWaalsContact CA-O 3.26Å; K14-V296 WeakPolarHBondContact CA-O 3.4Å; K14-C297 HydrophobicContact CG-CB 4.22Å; K14-C343 CarbonylContact O-C 3.6Å; K14-C343 VanDerWaalsContact O-CA 3.25Å; K14-C343 WeakPolarHBondContact O-CA 3.32Å; K14-H344 PolarHBondContact O-N 3.3Å; K14-D350 IonicContact NZ-OD1 3.17Å; K14-D350 PolarHBondContact NZ-OD1 3.34Å; K14-D350 IonicContact NZ-OD2 2.97Å; K14-D350 PolarHBondContact NZ-OD2 3.02Å
15F92Very high75.2Confident0 Ų047.1 Ų47.10%025%0.25CS..EExtended strand (participates in β ladder)trans-126.5151.4171.871-78.9000109.6V17 V190 I192 A217 F249 T295 V296 L298 L342F15-V17 HydrophobicContact CD2-CG2 3.74Å; F15-V17 HydrophobicContact CE2-CG2 3.54Å; F15-V190 HydrophobicContact CD1-CG1 4.36Å; F15-V190 HydrophobicContact CE1-CG1 4.23Å; F15-V190 HydrophobicContact CZ-CG1 4.35Å; F15-I192 HydrophobicContact CE2-CD1 4.27Å; F15-A217 HydrophobicContact CZ-CB 4.12Å; F15-F249 HydrophobicContact CE2-CD1 4.27Å; F15-F249 HydrophobicContact CE2-CE1 4.43Å; F15-F249 HydrophobicContact CZ-CD1 4Å; F15-T295 WeakPolarHBondContact O-CA 3.13Å; F15-V296 HydrophobicContact CE1-CB 3.96Å; F15-V296 HydrophobicContact CE1-CG1 4.34Å; F15-V296 HydrophobicContact CZ-CB 4.13Å; F15-V296 PolarHBondContact N-O 2.66Å; F15-V296 VanDerWaalsContact N-O 3.12Å; F15-V296 PolarHBondContact O-N 3.25Å; F15-L298 HydrophobicContact CD1-CD1 4.32Å; F15-L298 HydrophobicContact CD1-CD2 3.94Å; F15-L298 HydrophobicContact CD1-CG 3.93Å; F15-L298 HydrophobicContact CE1-CD2 3.56Å; F15-L298 HydrophobicContact CE1-CG 4Å; F15-L342 HydrophobicContact CB-CD2 4.48Å; F15-L342 HydrophobicContact CB-CG 4.28Å; F15-L342 VanDerWaalsContact CB-O 3.23Å; F15-L342 WeakPolarHBondContact CB-O 3.38Å; F15-L342 HydrophobicContact CD2-CD2 3.88Å; F15-L342 HydrophobicContact CD2-CG 4.45Å; F15-L342 HydrophobicContact CE2-CD2 4.47Å; F15-L342 HydrophobicContact CG-CD2 4.33Å
16T94.5Very high78.5Confident1 Ų142.2 Ų42.21%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-119128.3-178.4-58.60000110.3A48 K49 T293 V294 T295 H344T16-A48 HydrophobicContact CG2-CB 4.14Å; T16-K49 PolarHBondContact O-N 3.49Å; T16-T293 HydrophobicContact CG2-CG2 4.04Å; T16-V294 WeakPolarHBondContact CA-O 3.47Å; T16-T295 WeakPolarHBondContact OG1-CG2 3.27Å; T16-T295 PolarHBondContact OG1-OG1 2.87Å; T16-H344 WeakPolarHBondContact CB-NE2 3.32Å; T16-H344 PolarHBondContact OG1-NE2 2.83Å
17V97.2Very high81.8Confident0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-110.5134.6175.2-174.70000108.9F15 L19 Y50 V52 L219 F249 T293 V294F15-V17 HydrophobicContact CD2-CG2 3.74Å; F15-V17 HydrophobicContact CE2-CG2 3.54Å; V17-L19 HydrophobicContact CG1-CD2 4.01Å; V17-Y50 CarbonylContact C-O 3.58Å; V17-Y50 WeakPolarHBondContact CA-O 3.33Å; V17-Y50 HydrophobicContact CG1-CD1 4.2Å; V17-V52 HydrophobicContact CG1-CG1 3.99Å; V17-L219 HydrophobicContact CG1-CD1 4.28Å; V17-L219 HydrophobicContact CG1-CD2 4.13Å; V17-F249 HydrophobicContact CB-CE1 4.36Å; V17-F249 HydrophobicContact CG2-CE1 3.98Å; V17-T293 WeakPolarHBondContact O-CA 3.23Å; V17-V294 PolarHBondContact N-O 2.99Å; V17-V294 PolarHBondContact O-N 3.1Å
18A97.9Very high85.1Confident0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-94.5123.4171.300000110.5A43 A48 Y50 R51 V52 V291 E292 T293A18-A43 HydrophobicContact CB-CB 3.33Å; A18-A48 HydrophobicContact CB-CB 3.56Å; A18-Y50 PolarHBondContact N-O 3.19Å; A18-R51 HydrophobicContact CB-CB 4.48Å; A18-V52 VanDerWaalsContact O-CG1 3.31Å; A18-V52 WeakPolarHBondContact O-CG1 3.3Å; A18-V52 PolarHBondContact O-N 3.48Å; A18-V291 HydrophobicContact CB-CG1 3.86Å; A18-E292 CarbonylContact C-O 3.52Å; A18-E292 WeakPolarHBondContact CA-O 3.22Å; A18-T293 HydrophobicContact CB-CG2 4.15Å
19L97.9Very high88.3Confident1 Ų126.7 Ų26.71%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-97.1111.7176.9-51.4-174.1000108.2V17 V52 A251 T253 A269 A271 F279 E292 V294V17-L19 HydrophobicContact CG1-CD2 4.01Å; L19-V52 HydrophobicContact CD2-CG1 3.54Å; L19-A251 HydrophobicContact CD1-CB 4.23Å; L19-A251 HydrophobicContact CD2-CB 3.57Å; L19-T253 HydrophobicContact CB-CG2 3.78Å; L19-T253 HydrophobicContact CD2-CG2 4.14Å; L19-A269 HydrophobicContact CB-CB 3.92Å; L19-A271 HydrophobicContact CD1-CB 3.86Å; L19-F279 HydrophobicContact CD1-CD1 3.77Å; L19-F279 HydrophobicContact CD1-CE1 4.2Å; L19-E292 PolarHBondContact N-O 3Å; L19-E292 PolarHBondContact O-N 2.67Å; L19-E292 VanDerWaalsContact O-N 3.15Å; L19-V294 HydrophobicContact CD1-CG2 3.91Å; L19-V294 HydrophobicContact CG-CG2 4.44Å
20C98.5Very high91.1Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-101.4131.4-176.5-58.30000111.3L22 R51 V52 T253 S290C20-L22 HydrophobicContact CB-CD2 4.4Å; C20-R51 VanDerWaalsContact SG-CG 3.55Å; C20-V52 WeakPolarHBondContact CB-O 3.22Å; C20-V52 PolarHBondContact N-O 2.99Å; C20-T253 WeakPolarHBondContact O-CB 3.08Å; C20-S290 WeakPolarHBondContact CA-O 3.47Å
21V98.3Very high93.3Very high2 Ų223.7 Ų23.71%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-113.2121.1168.8173.60000108N254 R256 A269 S290V21-N254 WeakPolarHBondContact CA-O 3.38Å; V21-R256 HydrophobicContact CG1-CB 3.42Å; V21-R256 VanDerWaalsContact CG1-CB 3.42Å; V21-R256 HydrophobicContact CG1-CG 4.37Å; V21-A269 HydrophobicContact CG2-CB 3.63Å; V21-S290 PolarHBondContact N-O 2.69Å; V21-S290 PolarHBondContact O-N 2.97Å
22L98.7Very high95.3Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-121.7138.3-173.1-56.4-171.8000111.7C20 Q24 V36 P54 E57 L255 R256 V289C20-L22 HydrophobicContact CB-CD2 4.4Å; L22-Q24 HydrophobicContact CB-CG 3.91Å; L22-Q24 PolarHBondContact O-N 2.79Å; L22-V36 HydrophobicContact CD1-CG2 4Å; L22-P54 HydrophobicContact CB-CG 4.2Å; L22-P54 HydrophobicContact CG-CG 4.23Å; L22-E57 HydrophobicContact CD1-CB 4.48Å; L22-E57 WeakPolarHBondContact CD1-OE2 3.15Å; L22-L255 WeakPolarHBondContact O-CA 3.4Å; L22-R256 PolarHBondContact O-N 3.13Å; L22-V289 HydrophobicContact CD2-CB 4.26Å; L22-V289 HydrophobicContact CD2-CG1 3.89Å; L22-V289 HydrophobicContact CD2-CG2 4.11Å
23N98.2Very high96.7Very high0 Ų020.2 Ų20.20%011%0.109CC..  trans-92.275.8171.1-162.8-16.2000110.5R35 R256 D288 D378 R381 R382N23-R35 WeakPolarHBondContact O-CD 3.42Å; N23-R35 PolarHBondContact O-NE 3.45Å; N23-R35 VanDerWaalsContact O-NE 3.14Å; N23-R35 PolarHBondContact O-NH1 2.92Å; N23-R256 VanDerWaalsContact CA-O 3.25Å; N23-R256 WeakPolarHBondContact CA-O 3.22Å; N23-R256 PolarHBondContact OD1-O 2.54Å; N23-D288 PolarHBondContact N-O 3.11Å; N23-D378 PolarHBondContact ND2-OD1 2.9Å; N23-D378 PolarHBondContact ND2-OD2 3.29Å; N23-R381 PolarHBondContact ND2-NH2 2.99Å; N23-R382 PolarHBondContact O-NH2 3.21Å; N23-R382 PolarHBondContact OD1-NH2 3.38Å
24Q98.5Very high97.4Very high1 Ų124.8 Ų24.81%0.00512%0.124CC..  trans-76.3165.2179.4-56.8-6145.900112.1L22 N32 E57 S60 L255 D259 R382L22-Q24 HydrophobicContact CB-CG 3.91Å; L22-Q24 PolarHBondContact O-N 2.79Å; Q24-N32 WeakPolarHBondContact CA-OD1 3.34Å; Q24-N32 PolarHBondContact NE2-O 2.8Å; Q24-N32 PolarHBondContact OE1-OD1 3.26Å; Q24-E57 VanDerWaalsContact CD-O 3.32Å; Q24-E57 HydrophobicContact CG-CB 4.16Å; Q24-E57 WeakPolarHBondContact CG-O 3.3Å; Q24-E57 PolarHBondContact NE2-O 2.87Å; Q24-S60 WeakPolarHBondContact CB-OG 3.36Å; Q24-L255 HydrophobicContact CB-CD2 3.91Å; Q24-L255 HydrophobicContact CG-CD2 3.67Å; Q24-D259 WeakPolarHBondContact O-CA 3.5Å; Q24-D259 WeakPolarHBondContact O-CB 3.05Å; Q24-R382 PolarHBondContact O-NH1 3.45Å; Q24-R382 PolarHBondContact O-NH2 3.03Å
25W98.2Very high97.9Very high99 Ų9922.7 Ų22.738%0.37512%0.115SC..  trans-136.2129179.7-173.814.8000109L27 D28 N32 D259 R382W25-L27 PolarHBondContact O-N 2.91Å; W25-D28 HydrophobicContact CB-CB 3.75Å; W25-D28 HydrophobicContact CD2-CB 4.12Å; W25-D28 HydrophobicContact CE3-CB 3.87Å; W25-D28 HydrophobicContact CG-CB 4.09Å; W25-D28 WeakPolarHBondContact O-CB 3.23Å; W25-D28 PolarHBondContact O-N 3.15Å; W25-D28 VanDerWaalsContact O-N 3.07Å; W25-N32 PolarHBondContact N-OD1 3.13Å; W25-N32 PolarHBondContact O-ND2 2.77Å; W25-N32 PolarHBondContact O-OD1 3.41Å; W25-D259 VanDerWaalsContact CD1-O 3.24Å; W25-R382 HydrophobicContact CD2-CG 4.22Å; W25-R382 HydrophobicContact CE3-CG 4.41Å; W25-R382 HydrophobicContact CH2-CB 4.2Å; W25-R382 HydrophobicContact CZ2-CB 3.89Å; W25-R382 HydrophobicContact CZ2-CG 4.34Å
26A98.1Very high98.2Very high18 Ų1822.7 Ų22.715%0.14912%0.115CC..THydrogen-bonded Turntrans-50.5126.1-179.900000111.2D28 S59 D259A26-D28 PolarHBondContact O-N 3.14Å; A26-D28 VanDerWaalsContact O-N 3.08Å; A26-S59 WeakPolarHBondContact CA-O 3.22Å; A26-D259 PolarHBondContact N-O 2.85Å
27L98.1Very high98.4Very high57 Ų5723.3 Ų23.330%0.29812%0.118SC..THydrogen-bonded Turntrans63.81.9179.6-49.9174.4000116.4W25 F29 S59 C63 H66W25-L27 PolarHBondContact O-N 2.91Å; L27-F29 HydrophobicContact CB-CE2 4.29Å; L27-F29 HydrophobicContact CD2-CE2 4.04Å; L27-F29 HydrophobicContact CD2-CZ 4.08Å; L27-F29 WeakPolarHBondContact O-CD2 3.38Å; L27-F29 PolarHBondContact O-N 3.18Å; L27-S59 PolarHBondContact N-O 2.81Å; L27-C63 HydrophobicContact CD2-CB 4.41Å; L27-H66 HydrophobicContact CD1-CB 4.23Å; L27-H66 HydrophobicContact CD2-CB 4.09Å
28D98.4Very high98.5Very high40 Ų4027.3 Ų27.321%0.21414%0.137CC..  trans-76.159.3171-179.621.2000110.6W25 A26 S30 G31 N32 R35W25-D28 HydrophobicContact CB-CB 3.75Å; W25-D28 HydrophobicContact CD2-CB 4.12Å; W25-D28 HydrophobicContact CE3-CB 3.87Å; W25-D28 HydrophobicContact CG-CB 4.09Å; W25-D28 WeakPolarHBondContact O-CB 3.23Å; W25-D28 PolarHBondContact O-N 3.15Å; W25-D28 VanDerWaalsContact O-N 3.07Å; A26-D28 PolarHBondContact O-N 3.14Å; A26-D28 VanDerWaalsContact O-N 3.08Å; D28-S30 PolarHBondContact O-N 3.47Å; D28-S30 VanDerWaalsContact O-N 3.09Å; D28-G31 PolarHBondContact O-N 3.23Å; D28-G31 VanDerWaalsContact O-N 3.11Å; D28-G31 WeakPolarHBondContact OD1-CA 3.43Å; D28-G31 PolarHBondContact OD1-N 2.74Å; D28-G31 WeakPolarHBondContact OD2-CA 3.17Å; D28-N32 VanDerWaalsContact O-CB 3.26Å; D28-N32 WeakPolarHBondContact O-CB 3.49Å; D28-N32 PolarHBondContact O-N 2.96Å; D28-N32 PolarHBondContact O-ND2 2.9Å; D28-R35 IonicContact OD2-CZ 2.96Å; D28-R35 IonicContact OD2-NH1 3.81Å; D28-R35 IonicContact OD2-NH2 2.79Å; D28-R35 PolarHBondContact OD2-NH2 3.18Å; D28-R35 VanDerWaalsContact OD2-NH2 3.14Å
29F98.8Very high98.6Very high27 Ų2727.3 Ų27.312%0.11814%0.137CC..Hα-helixtrans-51.4-39-175.5-70.7-70000112.6L27 T33 I58 T72 H75L27-F29 HydrophobicContact CB-CE2 4.29Å; L27-F29 HydrophobicContact CD2-CE2 4.04Å; L27-F29 HydrophobicContact CD2-CZ 4.08Å; L27-F29 WeakPolarHBondContact O-CD2 3.38Å; L27-F29 PolarHBondContact O-N 3.18Å; F29-T33 WeakPolarHBondContact O-CB 3.45Å; F29-T33 PolarHBondContact O-N 3.36Å; F29-T33 PolarHBondContact O-OG1 3.47Å; F29-I58 HydrophobicContact CD1-CG2 4.22Å; F29-T72 HydrophobicContact CZ-CG2 4.28Å; F29-H75 HydrophobicContact CD1-CB 3.86Å; F29-H75 HydrophobicContact CD2-CB 3.6Å; F29-H75 HydrophobicContact CE1-CB 3.8Å; F29-H75 HydrophobicContact CE2-CB 3.54Å; F29-H75 AromaticContact CE2-CD2 3.95Å; F29-H75 HydrophobicContact CG-CB 3.77Å; F29-H75 HydrophobicContact CZ-CB 3.65Å
30S98.6Very high98.6Very high92 Ų9227.2 Ų27.264%0.64314%0.136SC*.Hα-helixtrans-68.8-49.5178.5-69.40000112.6D28 R34D28-S30 PolarHBondContact O-N 3.47Å; D28-S30 VanDerWaalsContact O-N 3.09Å; S30-R34 PolarHBondContact O-N 2.86Å; S30-R34 VanDerWaalsContact O-N 3.09Å
31G98.7Very high98.6Very high9 Ų928.9 Ų28.99%0.09314%0.144CC..Hα-helixtrans-68-41.4178.600000112.4D28 R34 R35D28-G31 PolarHBondContact O-N 3.23Å; D28-G31 VanDerWaalsContact O-N 3.11Å; D28-G31 WeakPolarHBondContact OD1-CA 3.43Å; D28-G31 PolarHBondContact OD1-N 2.74Å; D28-G31 WeakPolarHBondContact OD2-CA 3.17Å; G31-R34 WeakPolarHBondContact O-CB 3.31Å; G31-R34 PolarHBondContact O-N 3.32Å; G31-R35 WeakPolarHBondContact O-CG 3.22Å; G31-R35 PolarHBondContact O-N 2.83Å
32N98.9Very high98.6Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-60.8-47.4177-67.2-10.6000111.3Q24 W25 D28 R34 R35 V36 I58Q24-N32 WeakPolarHBondContact CA-OD1 3.34Å; Q24-N32 PolarHBondContact NE2-O 2.8Å; Q24-N32 PolarHBondContact OE1-OD1 3.26Å; W25-N32 PolarHBondContact N-OD1 3.13Å; W25-N32 PolarHBondContact O-ND2 2.77Å; W25-N32 PolarHBondContact O-OD1 3.41Å; D28-N32 VanDerWaalsContact O-CB 3.26Å; D28-N32 WeakPolarHBondContact O-CB 3.49Å; D28-N32 PolarHBondContact O-N 2.96Å; D28-N32 PolarHBondContact O-ND2 2.9Å; N32-R34 VanDerWaalsContact C-N 3.33Å; N32-R34 PolarHBondContact O-N 3.24Å; N32-R35 PolarHBondContact O-N 2.82Å; N32-R35 PolarHBondContact OD1-NH1 2.85Å; N32-V36 WeakPolarHBondContact O-CG2 3.3Å; N32-V36 PolarHBondContact O-N 3.09Å; N32-I58 VanDerWaalsContact CB-O 3.29Å; N32-I58 WeakPolarHBondContact CB-O 3.42Å; N32-I58 PolarHBondContact ND2-O 3.05Å
33T98.9Very high98.6Very high2 Ų230.4 Ų30.41%0.01215%0.153CC..Hα-helixtrans-60.9-41.4176.3-61.50000111.9F29 R35 V36 I37 C79 K82 I83F29-T33 WeakPolarHBondContact O-CB 3.45Å; F29-T33 PolarHBondContact O-N 3.36Å; F29-T33 PolarHBondContact O-OG1 3.47Å; T33-R35 PolarHBondContact O-N 3.04Å; T33-V36 PolarHBondContact O-N 3.11Å; T33-I37 HydrophobicContact CG2-CD1 3.79Å; T33-I37 HydrophobicContact CG2-CG1 4.42Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.36Å; T33-C79 VanDerWaalsContact OG1-CB 3.23Å; T33-C79 WeakPolarHBondContact OG1-CB 3.28Å; T33-C79 PolarHBondContact OG1-SG 2.94Å; T33-K82 HydrophobicContact CG2-CD 4.06Å; T33-K82 HydrophobicContact CG2-CG 4.44Å; T33-I83 HydrophobicContact CG2-CD1 4.19Å; T33-I83 HydrophobicContact CG2-CG1 3.9Å
34R98.8Very high98.5Very high120 Ų12033.2 Ų33.245%0.45317%0.165SC..Hα-helixtrans-60.5-45.8176.3-179.3-17458.675.80.7111.3S30 G31 N32 V36 I37 E38 D288S30-R34 PolarHBondContact O-N 2.86Å; S30-R34 VanDerWaalsContact O-N 3.09Å; G31-R34 WeakPolarHBondContact O-CB 3.31Å; G31-R34 PolarHBondContact O-N 3.32Å; N32-R34 VanDerWaalsContact C-N 3.33Å; N32-R34 PolarHBondContact O-N 3.24Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 3.29Å; R34-I37 PolarHBondContact O-N 3.36Å; R34-E38 IonicContact NH1-OE2 3.49Å; R34-E38 PolarHBondContact NH1-OE2 3.25Å; R34-E38 WeakPolarHBondContact O-CB 3.17Å; R34-E38 PolarHBondContact O-N 3.46Å; R34-D288 IonicContact NH2-OD2 3.63Å
35R98.9Very high98.4Very high7 Ų739.8 Ų39.83%0.02619%0.19CC..Hα-helixtrans-63.6-38.2177.7-68.1-175.1-145.395.12.9111.7N23 D28 G31 N32 T33 S39 D288 V289N23-R35 WeakPolarHBondContact O-CD 3.42Å; N23-R35 PolarHBondContact O-NE 3.45Å; N23-R35 VanDerWaalsContact O-NE 3.14Å; N23-R35 PolarHBondContact O-NH1 2.92Å; D28-R35 IonicContact OD2-CZ 2.96Å; D28-R35 IonicContact OD2-NH1 3.81Å; D28-R35 IonicContact OD2-NH2 2.79Å; D28-R35 PolarHBondContact OD2-NH2 3.18Å; D28-R35 VanDerWaalsContact OD2-NH2 3.14Å; G31-R35 WeakPolarHBondContact O-CG 3.22Å; G31-R35 PolarHBondContact O-N 2.83Å; N32-R35 PolarHBondContact O-N 2.82Å; N32-R35 PolarHBondContact OD1-NH1 2.85Å; T33-R35 PolarHBondContact O-N 3.04Å; R35-S39 WeakPolarHBondContact O-CB 3.42Å; R35-S39 PolarHBondContact O-N 3.03Å; R35-S39 PolarHBondContact O-OG 3.43Å; R35-D288 HydrophobicContact CG-CB 4.44Å; R35-D288 IonicContact CZ-OD2 2.63Å; R35-D288 IonicContact NE-OD2 3.28Å; R35-D288 PolarHBondContact NE-OD2 2.68Å; R35-D288 IonicContact NH2-OD2 2.84Å; R35-V289 HydrophobicContact CB-CG2 3.77Å; R35-V289 HydrophobicContact CG-CG2 3.9Å
36V98.9Very high98.2Very high0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-61.6-52.6172.9173.20000110.9L22 N32 T33 R34 E38 S39 V40 E57 I58 I83 I100L22-V36 HydrophobicContact CD1-CG2 4Å; N32-V36 WeakPolarHBondContact O-CG2 3.3Å; N32-V36 PolarHBondContact O-N 3.09Å; T33-V36 PolarHBondContact O-N 3.11Å; R34-V36 VanDerWaalsContact C-N 3.34Å; R34-V36 PolarHBondContact O-N 3.29Å; V36-E38 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 3.11Å; V36-S39 PolarHBondContact O-N 3.31Å; V36-S39 VanDerWaalsContact O-N 3.1Å; V36-S39 PolarHBondContact O-OG 2.92Å; V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 3.36Å; V36-E57 HydrophobicContact CG2-CG 4.02Å; V36-I58 HydrophobicContact CG2-CD1 4.27Å; V36-I83 HydrophobicContact CB-CD1 4.37Å; V36-I83 HydrophobicContact CG1-CD1 3.82Å; V36-I100 HydrophobicContact CG1-CD1 4.02Å; V36-I100 HydrophobicContact CG1-CG1 4.22Å
37I98.8Very high98Very high15 Ų1538.5 Ų38.58%0.07719%0.191CC..Hα-helixtrans-56.8-46.9178.7-71.5165.4000111.3T33 R34 S39 V40 K41 I83 E86 M93T33-I37 HydrophobicContact CG2-CD1 3.79Å; T33-I37 HydrophobicContact CG2-CG1 4.42Å; T33-I37 WeakPolarHBondContact O-CG1 3.41Å; T33-I37 PolarHBondContact O-N 3.36Å; R34-I37 PolarHBondContact O-N 3.36Å; I37-S39 VanDerWaalsContact C-N 3.3Å; I37-S39 PolarHBondContact O-N 3.09Å; I37-V40 PolarHBondContact O-N 2.98Å; I37-K41 HydrophobicContact CG2-CD 4.05Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 2.97Å; I37-I83 HydrophobicContact CD1-CG1 4.43Å; I37-I83 HydrophobicContact CG1-CG1 4.11Å; I37-E86 HydrophobicContact CD1-CG 3.97Å; I37-M93 HydrophobicContact CG1-CE 4.23Å; I37-M93 HydrophobicContact CG2-CE 4.47Å; I37-M93 HydrophobicContact CG2-SD 3.85Å
38E98.7Very high97.9Very high83 Ų8335.9 Ų35.939%0.38818%0.177SC..Hα-helixtrans-59-41.9177.1-177.8178.8172.400111.8R34 V36 T42 V289R34-E38 IonicContact NH1-OE2 3.49Å; R34-E38 PolarHBondContact NH1-OE2 3.25Å; R34-E38 WeakPolarHBondContact O-CB 3.17Å; R34-E38 PolarHBondContact O-N 3.46Å; V36-E38 VanDerWaalsContact C-N 3.34Å; V36-E38 PolarHBondContact O-N 3.11Å; E38-T42 WeakPolarHBondContact O-CB 3.31Å; E38-T42 PolarHBondContact O-N 3.04Å; E38-T42 PolarHBondContact O-OG1 2.77Å; E38-V289 HydrophobicContact CB-CG2 4.41Å; E38-V289 HydrophobicContact CG-CG1 4.49Å; E38-V289 HydrophobicContact CG-CG2 4.31Å
39S98.8Very high97.8Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-66.8-38177.876.80000112.8R35 V36 I37 T42 A43 R51R35-S39 WeakPolarHBondContact O-CB 3.42Å; R35-S39 PolarHBondContact O-N 3.03Å; R35-S39 PolarHBondContact O-OG 3.43Å; V36-S39 PolarHBondContact O-N 3.31Å; V36-S39 VanDerWaalsContact O-N 3.1Å; V36-S39 PolarHBondContact O-OG 2.92Å; I37-S39 VanDerWaalsContact C-N 3.3Å; I37-S39 PolarHBondContact O-N 3.09Å; S39-T42 PolarHBondContact O-N 3.22Å; S39-A43 VanDerWaalsContact O-CB 3.24Å; S39-A43 WeakPolarHBondContact O-CB 3.44Å; S39-A43 PolarHBondContact O-N 2.84Å; S39-R51 PolarHBondContact OG-NE 2.85Å; S39-R51 PolarHBondContact OG-NH2 3.04Å
40V98.8Very high97.8Very high0 Ų034.7 Ų34.70%017%0.17CC..Hα-helixtrans-66-48.4176.2175.70000110.6V36 I37 T42 A43 K44 R51 M93 I96 C98V36-V40 WeakPolarHBondContact O-CG2 3.22Å; V36-V40 PolarHBondContact O-N 3.36Å; I37-V40 PolarHBondContact O-N 2.98Å; V40-T42 VanDerWaalsContact C-N 3.28Å; V40-T42 PolarHBondContact O-N 2.93Å; V40-A43 WeakPolarHBondContact O-CB 3.09Å; V40-A43 PolarHBondContact O-N 2.76Å; V40-K44 PolarHBondContact O-N 3.41Å; V40-R51 HydrophobicContact CG2-CG 4.27Å; V40-M93 HydrophobicContact CB-CE 3.9Å; V40-M93 HydrophobicContact CB-CG 4.45Å; V40-M93 HydrophobicContact CG1-CB 4.14Å; V40-M93 HydrophobicContact CG1-CE 3.78Å; V40-M93 HydrophobicContact CG1-CG 3.84Å; V40-M93 HydrophobicContact CG2-CE 4.26Å; V40-I96 HydrophobicContact CG1-CG2 3.87Å; V40-C98 VanDerWaalsContact CG1-SG 3.59Å; V40-C98 HydrophobicContact CG2-CB 4.45Å
41K98.7Very high97.8Very high35 Ų3530.3 Ų30.315%0.15214%0.139CC..Hα-helixtrans-59.2-42.1177.7-68.3178.9-178.2173.50111.1I37 K44 R45 E86 N90 E92 M93I37-K41 HydrophobicContact CG2-CD 4.05Å; I37-K41 WeakPolarHBondContact O-CG 3.45Å; I37-K41 PolarHBondContact O-N 2.97Å; K41-K44 PolarHBondContact O-N 3.02Å; K41-R45 WeakPolarHBondContact O-CG 3.38Å; K41-R45 PolarHBondContact O-N 3.46Å; K41-E86 IonicContact NZ-OE2 2.81Å; K41-E86 PolarHBondContact NZ-OE2 2.86Å; K41-N90 WeakPolarHBondContact CE-ND2 3.34Å; K41-N90 PolarHBondContact NZ-ND2 3.31Å; K41-N90 VanDerWaalsContact NZ-ND2 3.14Å; K41-E92 HydrophobicContact CB-CB 4.33Å; K41-E92 HydrophobicContact CG-CB 4.02Å; K41-M93 HydrophobicContact CD-CG 4.5Å; K41-M93 HydrophobicContact CD-SD 4.49Å; K41-M93 VanDerWaalsContact CE-SD 3.55Å; K41-M93 HydrophobicContact CG-CG 3.66Å; K41-M93 HydrophobicContact CG-SD 4.09Å
42T98.2Very high97.8Very high34 Ų3430 Ų3021%0.20914%0.135CC..Hα-helixtrans-66.8-45.8177.4-56.10000111.7E38 S39 V40 K44 R45 L46 V291E38-T42 WeakPolarHBondContact O-CB 3.31Å; E38-T42 PolarHBondContact O-N 3.04Å; E38-T42 PolarHBondContact O-OG1 2.77Å; S39-T42 PolarHBondContact O-N 3.22Å; V40-T42 VanDerWaalsContact C-N 3.28Å; V40-T42 PolarHBondContact O-N 2.93Å; T42-K44 VanDerWaalsContact C-N 3.3Å; T42-K44 PolarHBondContact O-N 3.25Å; T42-R45 PolarHBondContact O-N 2.88Å; T42-R45 PolarHBondContact OG1-NH2 2.86Å; T42-L46 HydrophobicContact CG2-CD1 4.06Å; T42-L46 HydrophobicContact CG2-CG 4.46Å; T42-L46 WeakPolarHBondContact O-CG 3.4Å; T42-L46 PolarHBondContact O-N 2.74Å; T42-V291 HydrophobicContact CG2-CB 3.93Å; T42-V291 HydrophobicContact CG2-CG1 4.43Å; T42-V291 HydrophobicContact CG2-CG2 4.14Å
43A98.1Very high97.8Very high0 Ų030 Ų300%014%0.135CC..Hα-helixtrans-55.9-45.1175.500000111.7A18 S39 V40 L46 G47 A48 R51 I96 V291A18-A43 HydrophobicContact CB-CB 3.33Å; S39-A43 VanDerWaalsContact O-CB 3.24Å; S39-A43 WeakPolarHBondContact O-CB 3.44Å; S39-A43 PolarHBondContact O-N 2.84Å; V40-A43 WeakPolarHBondContact O-CB 3.09Å; V40-A43 PolarHBondContact O-N 2.76Å; A43-L46 CarbonylContact O-C 3.5Å; A43-L46 PolarHBondContact O-N 3.42Å; A43-G47 PolarHBondContact O-N 3.13Å; A43-A48 HydrophobicContact CB-CB 4.25Å; A43-A48 WeakPolarHBondContact O-CB 3.05Å; A43-A48 PolarHBondContact O-N 2.94Å; A43-R51 HydrophobicContact CB-CB 4.09Å; A43-R51 HydrophobicContact CB-CG 4.1Å; A43-I96 HydrophobicContact CB-CD1 3.7Å; A43-V291 HydrophobicContact CB-CG1 3.95Å
44K96.4Very high97.8Very high58 Ų5829.9 Ų29.925%0.25213%0.134SC..Hα-helixtrans-62.8-45.8177.7-175.470.2-175.7-167.70112.2V40 K41 T42 L46 G47 E92 Q94 D95 I96V40-K44 PolarHBondContact O-N 3.41Å; K41-K44 PolarHBondContact O-N 3.02Å; T42-K44 VanDerWaalsContact C-N 3.3Å; T42-K44 PolarHBondContact O-N 3.25Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 2.96Å; K44-G47 WeakPolarHBondContact O-CA 3.5Å; K44-G47 PolarHBondContact O-N 3Å; K44-E92 WeakPolarHBondContact CB-O 3.26Å; K44-E92 VanDerWaalsContact CG-O 3.31Å; K44-E92 WeakPolarHBondContact CG-O 3.4Å; K44-Q94 WeakPolarHBondContact CD-O 3.48Å; K44-Q94 WeakPolarHBondContact CE-O 3.23Å; K44-Q94 PolarHBondContact NZ-O 3.01Å; K44-D95 PolarHBondContact NZ-O 2.99Å; K44-I96 HydrophobicContact CB-CD1 4.26Å; K44-I96 HydrophobicContact CD-CB 4.11Å; K44-I96 HydrophobicContact CD-CG2 4.25Å
45R96.4Very high97.8Very high140 Ų14024.2 Ų24.253%0.52811%0.113SC..Hα-helixtrans-61.4-35176.5-75.7-171.1-63.4-96.1-0112.8K41 T42 G47 E92K41-R45 WeakPolarHBondContact O-CG 3.38Å; K41-R45 PolarHBondContact O-N 3.46Å; T42-R45 PolarHBondContact O-N 2.88Å; T42-R45 PolarHBondContact OG1-NH2 2.86Å; R45-G47 PolarHBondContact O-N 3.29Å; R45-E92 WeakPolarHBondContact CD-OE1 3.44Å; R45-E92 IonicContact CZ-OE1 3.61Å; R45-E92 IonicContact NH1-OE1 3.43Å; R45-E92 PolarHBondContact NH1-OE1 3.08Å; R45-E92 IonicContact NH1-OE2 3.19Å
46L94.7Very high97.8Very high77 Ų7723.9 Ų23.940%0.40311%0.112SC..THydrogen-bonded Turntrans-75.70.1173.5-64.9174.2000113.1T42 A43 K44 V291 T293T42-L46 HydrophobicContact CG2-CD1 4.06Å; T42-L46 HydrophobicContact CG2-CG 4.46Å; T42-L46 WeakPolarHBondContact O-CG 3.4Å; T42-L46 PolarHBondContact O-N 2.74Å; A43-L46 CarbonylContact O-C 3.5Å; A43-L46 PolarHBondContact O-N 3.42Å; K44-L46 VanDerWaalsContact C-N 3.27Å; K44-L46 PolarHBondContact O-N 2.96Å; L46-V291 HydrophobicContact CD1-CB 4.5Å; L46-V291 HydrophobicContact CD1-CG1 4.2Å; L46-T293 HydrophobicContact CB-CG2 3.59Å; L46-T293 HydrophobicContact CD1-CG2 4.06Å; L46-T293 HydrophobicContact CG-CG2 4.48Å
47G93.5Very high97.8Very high13 Ų1323.9 Ų23.913%0.13411%0.112CC..THydrogen-bonded Turntrans86.17.6176.500000114.8A43 K44 R45 H344A43-G47 PolarHBondContact O-N 3.13Å; K44-G47 WeakPolarHBondContact O-CA 3.5Å; K44-G47 PolarHBondContact O-N 3Å; R45-G47 PolarHBondContact O-N 3.29Å; G47-H344 PolarHBondContact O-CE1 3.46Å
48A95.9Very high97.8Very high1 Ų123.2 Ų23.21%0.00811%0.108CC..  trans-68.4143.5175.500000111.6T16 A18 A43 I96 T293T16-A48 HydrophobicContact CG2-CB 4.14Å; A18-A48 HydrophobicContact CB-CB 3.56Å; A43-A48 HydrophobicContact CB-CB 4.25Å; A43-A48 WeakPolarHBondContact O-CB 3.05Å; A43-A48 PolarHBondContact O-N 2.94Å; A48-I96 WeakPolarHBondContact O-CD1 3.37Å; A48-T293 HydrophobicContact CB-CG2 4.02Å
49K96.2Very high97.7Very high43 Ų4319.2 Ų19.219%0.1879%0.09CC..SBendtrans-105.3-6.3172.3-73.1-175.5165.2-1640112.9T16 I96 V97 F340 N341 L342 C343T16-K49 PolarHBondContact O-N 3.49Å; K49-I96 WeakPolarHBondContact O-CA 3.37Å; K49-V97 PolarHBondContact O-N 2.96Å; K49-F340 HydrophobicContact CB-CE1 4.25Å; K49-F340 HydrophobicContact CB-CZ 4.47Å; K49-F340 HydrophobicContact CD-CZ 4.45Å; K49-N341 PolarHBondContact NZ-O 2.92Å; K49-L342 HydrophobicContact CB-CD1 4.06Å; K49-L342 VanDerWaalsContact CD-O 3.23Å; K49-L342 WeakPolarHBondContact CD-O 3.42Å; K49-C343 PolarHBondContact NZ-O 3Å
50Y98.5Very high97.7Very high0 Ų019.2 Ų19.20%09%0.09CC..EExtended strand (participates in β ladder)trans-137127.3173.8-159.2-69.3000108.9V17 A18 V52 V97 D99 L116 L179 F181 I192 L219 L342V17-Y50 CarbonylContact C-O 3.58Å; V17-Y50 WeakPolarHBondContact CA-O 3.33Å; V17-Y50 HydrophobicContact CG1-CD1 4.2Å; A18-Y50 PolarHBondContact N-O 3.19Å; Y50-V52 HydrophobicContact CE1-CB 4.36Å; Y50-V97 HydrophobicContact CD2-CB 3.62Å; Y50-V97 HydrophobicContact CD2-CG1 3.83Å; Y50-V97 HydrophobicContact CD2-CG2 3.98Å; Y50-V97 HydrophobicContact CE1-CG1 4.48Å; Y50-V97 HydrophobicContact CE2-CB 3.89Å; Y50-V97 HydrophobicContact CE2-CG1 3.52Å; Y50-V97 HydrophobicContact CE2-CG2 4.35Å; Y50-V97 HydrophobicContact CG-CB 4.04Å; Y50-V97 HydrophobicContact CG-CG1 4.44Å; Y50-D99 HydrophobicContact CE1-CB 3.7Å; Y50-D99 PolarHBondContact OH-OD2 3.47Å; Y50-D99 VanDerWaalsContact OH-OD2 3.06Å; Y50-L116 WeakPolarHBondContact OH-CD2 3.35Å; Y50-L179 HydrophobicContact CE2-CD1 4.34Å; Y50-F181 HydrophobicContact CD2-CE2 4.48Å; Y50-F181 HydrophobicContact CD2-CZ 4.24Å; Y50-F181 HydrophobicContact CE2-CE2 4.17Å; Y50-F181 AromaticContact CE2-CZ 3.94Å; Y50-F181 HydrophobicContact CE2-CZ 3.94Å; Y50-I192 HydrophobicContact CE2-CG2 4.38Å; Y50-L219 HydrophobicContact CD1-CD1 3.53Å; Y50-L219 HydrophobicContact CD2-CD1 4.49Å; Y50-L219 HydrophobicContact CE1-CD1 3.21Å; Y50-L219 HydrophobicContact CE2-CD1 4.22Å; Y50-L219 HydrophobicContact CG-CD1 4.18Å; Y50-L342 HydrophobicContact CD2-CD1 4.2Å; Y50-L342 HydrophobicContact CD2-CD2 4.45Å
51R98.7Very high97.7Very high0 Ų020.1 Ų20.10%09%0.093CC..EExtended strand (participates in β ladder)trans-112123.9173.5176.4-86.5-172.6-171.8-1.7108.5A18 C20 S39 V40 A43 E57 I96 V97 D99A18-R51 HydrophobicContact CB-CB 4.48Å; C20-R51 VanDerWaalsContact SG-CG 3.55Å; S39-R51 PolarHBondContact OG-NE 2.85Å; S39-R51 PolarHBondContact OG-NH2 3.04Å; V40-R51 HydrophobicContact CG2-CG 4.27Å; A43-R51 HydrophobicContact CB-CB 4.09Å; A43-R51 HydrophobicContact CB-CG 4.1Å; R51-E57 IonicContact CZ-OE1 2.83Å; R51-E57 IonicContact CZ-OE2 3.09Å; R51-E57 IonicContact NH1-OE1 3.91Å; R51-E57 PolarHBondContact NH1-OE1 3.06Å; R51-E57 IonicContact NH1-OE2 3.25Å; R51-E57 PolarHBondContact NH1-OE2 2.97Å; R51-E57 IonicContact NH2-OE1 2.84Å; R51-E57 PolarHBondContact NH2-OE1 3.36Å; R51-E57 IonicContact NH2-OE2 3.78Å; R51-E57 PolarHBondContact NH2-OE2 2.96Å; R51-I96 HydrophobicContact CB-CD1 3.95Å; R51-I96 HydrophobicContact CB-CG1 4.29Å; R51-V97 PolarHBondContact N-O 2.96Å; R51-D99 PolarHBondContact NH1-O 3.22Å; R51-D99 WeakPolarHBondContact O-CB 3.36Å; R51-D99 PolarHBondContact O-N 2.7Å
52V98.8Very high97.6Very high1 Ų118.9 Ų18.91%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-108.6125.4171.853.60000110.3V17 A18 L19 C20 Y50 R114 L219 S221 T253V17-V52 HydrophobicContact CG1-CG1 3.99Å; A18-V52 VanDerWaalsContact O-CG1 3.31Å; A18-V52 WeakPolarHBondContact O-CG1 3.3Å; A18-V52 PolarHBondContact O-N 3.48Å; L19-V52 HydrophobicContact CD2-CG1 3.54Å; C20-V52 WeakPolarHBondContact CB-O 3.22Å; C20-V52 PolarHBondContact N-O 2.99Å; Y50-V52 HydrophobicContact CE1-CB 4.36Å; V52-R114 VanDerWaalsContact CG2-NH2 3.27Å; V52-L219 HydrophobicContact CG2-CB 4.46Å; V52-S221 WeakPolarHBondContact CG2-OG 3.47Å; V52-T253 HydrophobicContact CB-CG2 4.44Å; V52-T253 HydrophobicContact CG1-CG2 3.65Å; V52-T253 HydrophobicContact CG2-CG2 4.22Å
53G98.8Very high97.5Very high0 Ų017.4 Ų17.40%08%0.082CC..PPolyproline II helixtrans-101.4170.9174.600000113.3E57 D99 S221 T253G53-E57 WeakPolarHBondContact CA-OE2 3.48Å; G53-D99 PolarHBondContact N-O 3.4Å; G53-D99 VanDerWaalsContact N-O 3.11Å; G53-S221 WeakPolarHBondContact O-CB 3.45Å; G53-S221 PolarHBondContact O-OG 3.2Å; G53-T253 PolarHBondContact O-OG1 2.92Å
54P98.6Very high97.5Very high0 Ų022.5 Ų22.50%011%0.106CC..PPolyproline II helixtrans-66.6167.8176.2-24.238.3000114.3L22 E57 S222 N254 L255L22-P54 HydrophobicContact CB-CG 4.2Å; L22-P54 HydrophobicContact CG-CG 4.23Å; P54-E57 HydrophobicContact CB-CB 4.42Å; P54-E57 WeakPolarHBondContact CD-OE2 3.27Å; P54-S222 WeakPolarHBondContact CB-O 3.11Å; P54-N254 VanDerWaalsContact CG-C 3.48Å; P54-N254 VanDerWaalsContact CG-O 3.22Å; P54-N254 WeakPolarHBondContact CG-O 3.28Å; P54-L255 HydrophobicContact CB-CD2 3.58Å; P54-L255 HydrophobicContact CB-CG 3.78Å; P54-L255 HydrophobicContact CG-CD2 3.99Å
55E98.8Very high97.5Very high1 Ų123 Ų231%0.00511%0.111CC..THydrogen-bonded Turntrans-63.4137.2174.2178.6174.4-156.700111.7E57 Y61 N112 K128 T196 C197 S222 A223E55-E57 PolarHBondContact O-N 2.93Å; E55-Y61 HydrophobicContact CG-CD2 4.15Å; E55-N112 PolarHBondContact OE1-ND2 3.22Å; E55-K128 WeakPolarHBondContact OE1-CE 3.46Å; E55-K128 IonicContact OE1-NZ 2.8Å; E55-K128 PolarHBondContact OE1-NZ 3.47Å; E55-K128 IonicContact OE2-NZ 2.78Å; E55-T196 HydrophobicContact CB-CG2 4.39Å; E55-T196 HydrophobicContact CG-CG2 3.92Å; E55-C197 WeakPolarHBondContact OE2-CB 3.37Å; E55-S222 PolarHBondContact N-O 3.39Å; E55-S222 VanDerWaalsContact N-O 3.14Å; E55-A223 HydrophobicContact CB-CB 3.99Å; E55-A223 HydrophobicContact CG-CB 4.41Å; E55-A223 PolarHBondContact OE2-N 3.49Å; E55-A223 VanDerWaalsContact OE2-N 3.11Å
56L98.7Very high97.6Very high1 Ų120 Ų201%0.00510%0.103CC..THydrogen-bonded Turntrans50.126.3179.1-64.8175.6000114.8I58 S59 S60 Y61 F67 G101 M102 P103 N112 F143L56-I58 PolarHBondContact O-N 2.82Å; L56-S59 PolarHBondContact O-N 2.81Å; L56-S59 PolarHBondContact O-OG 3.2Å; L56-S60 CarbonylContact O-C 3.47Å; L56-S60 VanDerWaalsContact O-C 3.27Å; L56-S60 WeakPolarHBondContact O-CA 3.33Å; L56-S60 PolarHBondContact O-N 3.04Å; L56-Y61 HydrophobicContact CD1-CD2 3.96Å; L56-F67 HydrophobicContact CD1-CE1 4.5Å; L56-F67 HydrophobicContact CD1-CE2 4.25Å; L56-F67 HydrophobicContact CD1-CZ 3.76Å; L56-G101 CarbonylContact C-O 3.52Å; L56-G101 VanDerWaalsContact C-O 3.27Å; L56-M102 VanDerWaalsContact CD2-C 3.44Å; L56-P103 HydrophobicContact CD2-CB 4.33Å; L56-N112 HydrophobicContact CD2-CB 4.27Å; L56-N112 WeakPolarHBondContact CD2-OD1 3.46Å; L56-F143 HydrophobicContact CD1-CE2 3.95Å; L56-F143 HydrophobicContact CD1-CZ 4.04Å; L56-F143 HydrophobicContact CD2-CZ 4.46Å
57E98.8Very high97.8Very high0 Ų016.4 Ų16.40%08%0.084CC..THydrogen-bonded Turntrans-58.4-21.2-170.665.4175.4175.600115.7L22 Q24 V36 R51 G53 P54 E55 I100 G101L22-E57 HydrophobicContact CD1-CB 4.48Å; L22-E57 WeakPolarHBondContact CD1-OE2 3.15Å; Q24-E57 VanDerWaalsContact CD-O 3.32Å; Q24-E57 HydrophobicContact CG-CB 4.16Å; Q24-E57 WeakPolarHBondContact CG-O 3.3Å; Q24-E57 PolarHBondContact NE2-O 2.87Å; V36-E57 HydrophobicContact CG2-CG 4.02Å; R51-E57 IonicContact CZ-OE1 2.83Å; R51-E57 IonicContact CZ-OE2 3.09Å; R51-E57 IonicContact NH1-OE1 3.91Å; R51-E57 PolarHBondContact NH1-OE1 3.06Å; R51-E57 IonicContact NH1-OE2 3.25Å; R51-E57 PolarHBondContact NH1-OE2 2.97Å; R51-E57 IonicContact NH2-OE1 2.84Å; R51-E57 PolarHBondContact NH2-OE1 3.36Å; R51-E57 IonicContact NH2-OE2 3.78Å; R51-E57 PolarHBondContact NH2-OE2 2.96Å; G53-E57 WeakPolarHBondContact CA-OE2 3.48Å; P54-E57 HydrophobicContact CB-CB 4.42Å; P54-E57 WeakPolarHBondContact CD-OE2 3.27Å; E55-E57 PolarHBondContact O-N 2.93Å; E57-I100 HydrophobicContact CG-CG2 4.18Å; E57-I100 WeakPolarHBondContact OE1-CA 3.44Å; E57-I100 WeakPolarHBondContact OE1-CB 3.4Å; E57-I100 WeakPolarHBondContact OE1-CG2 3.43Å; E57-G101 PolarHBondContact N-O 3.03Å; E57-G101 VanDerWaalsContact N-O 3.09Å
58I98.8Very high98Very high0 Ų021.1 Ų21.10%010%0.102CC..THydrogen-bonded Turntrans-71.6-50.7177.7-67.9-64.7000111.4F29 N32 V36 L56 S60 C79 I80 I83 I100 G101 M102F29-I58 HydrophobicContact CD1-CG2 4.22Å; N32-I58 VanDerWaalsContact CB-O 3.29Å; N32-I58 WeakPolarHBondContact CB-O 3.42Å; N32-I58 PolarHBondContact ND2-O 3.05Å; V36-I58 HydrophobicContact CG2-CD1 4.27Å; L56-I58 PolarHBondContact O-N 2.82Å; I58-S60 VanDerWaalsContact C-N 3.34Å; I58-C79 HydrophobicContact CD1-CB 4.12Å; I58-C79 HydrophobicContact CG2-CB 3.65Å; I58-I80 HydrophobicContact CG1-CD1 4.49Å; I58-I83 HydrophobicContact CD1-CD1 3.76Å; I58-I100 HydrophobicContact CD1-CG2 3.76Å; I58-I100 HydrophobicContact CG1-CG2 3.47Å; I58-I100 VanDerWaalsContact CG1-CG2 3.47Å; I58-G101 WeakPolarHBondContact CG1-O 3.32Å; I58-G101 PolarHBondContact N-O 2.9Å; I58-M102 HydrophobicContact CB-CB 3.96Å; I58-M102 HydrophobicContact CG1-CB 4.14Å; I58-M102 HydrophobicContact CG2-CB 4.49Å
59S98.5Very high98.1Very high0 Ų025.4 Ų25.40%012%0.122CC..THydrogen-bonded Turntrans-81.4-20.2175.355.80000112.1A26 L27 L56 C63A26-S59 WeakPolarHBondContact CA-O 3.22Å; L27-S59 PolarHBondContact N-O 2.81Å; L56-S59 PolarHBondContact O-N 2.81Å; L56-S59 PolarHBondContact O-OG 3.2Å; S59-C63 PolarHBondContact O-SG 2.94Å
60S98.3Very high98.2Very high0 Ų029 Ų290%014%0.143CC..  trans67.1161.9-149.9-148.10000113.1Q24 L56 I58 D259Q24-S60 WeakPolarHBondContact CB-OG 3.36Å; L56-S60 CarbonylContact O-C 3.47Å; L56-S60 VanDerWaalsContact O-C 3.27Å; L56-S60 WeakPolarHBondContact O-CA 3.33Å; L56-S60 PolarHBondContact O-N 3.04Å; I58-S60 VanDerWaalsContact C-N 3.34Å; S60-D259 WeakPolarHBondContact CB-OD2 3.28Å; S60-D259 WeakPolarHBondContact OG-CB 3.35Å; S60-D259 VanDerWaalsContact OG-CG 3.31Å; S60-D259 PolarHBondContact OG-OD2 2.82Å
61Y98.1Very high98.2Very high18 Ų1833.7 Ų33.77%0.07117%0.168CC..SBendtrans-72.8-45.2-176.8-178.3-95000112.8E55 L56 C63 F67 H137 E139 A223 D259 Y265E55-Y61 HydrophobicContact CG-CD2 4.15Å; L56-Y61 HydrophobicContact CD1-CD2 3.96Å; Y61-C63 PolarHBondContact O-N 2.9Å; Y61-F67 WeakPolarHBondContact O-CE2 3.37Å; Y61-H137 AromaticContact CE1-ND1 3.86Å; Y61-H137 AromaticContact CZ-ND1 3.66Å; Y61-H137 PolarHBondContact OH-ND1 2.74Å; Y61-E139 WeakPolarHBondContact CE2-OE1 3.49Å; Y61-E139 WeakPolarHBondContact OH-CG 3.24Å; Y61-E139 PolarHBondContact OH-OE1 2.82Å; Y61-A223 HydrophobicContact CD1-CB 4.09Å; Y61-A223 HydrophobicContact CD2-CB 3.29Å; Y61-A223 HydrophobicContact CE2-CB 3.96Å; Y61-A223 HydrophobicContact CG-CB 3.35Å; Y61-D259 PolarHBondContact N-OD2 2.89Å; Y61-D259 VanDerWaalsContact N-OD2 3.14Å; Y61-Y265 HydrophobicContact CD1-CE1 4.33Å; Y61-Y265 WeakPolarHBondContact CD1-OH 3.4Å
62G96.6Very high98.2Very high9 Ų933.8 Ų33.89%0.09317%0.168CC..THydrogen-bonded Turntrans-79.634.9-171.700000115.5E64 D259 S260G62-E64 VanDerWaalsContact C-N 3.29Å; G62-D259 PolarHBondContact N-OD2 2.74Å; G62-S260 WeakPolarHBondContact CA-OG 3.48Å; G62-S260 VanDerWaalsContact O-CB 3.25Å; G62-S260 WeakPolarHBondContact O-CB 3.22Å; G62-S260 PolarHBondContact O-OG 2.97Å
63C97.4Very high98.2Very high4 Ų434.2 Ų34.23%0.02717%0.17CC..THydrogen-bonded Turntrans-75.3-19174.4-65.40000113.1L27 S59 Y61 D65 H66 F67L27-C63 HydrophobicContact CD2-CB 4.41Å; S59-C63 PolarHBondContact O-SG 2.94Å; Y61-C63 PolarHBondContact O-N 2.9Å; C63-D65 PolarHBondContact O-N 3.3Å; C63-H66 HydrophobicContact CB-CB 4.2Å; C63-H66 WeakPolarHBondContact O-CB 3.5Å; C63-H66 PolarHBondContact O-CD2 3.25Å; C63-H66 PolarHBondContact O-N 3.33Å; C63-H66 VanDerWaalsContact O-N 3.13Å; C63-F67 HydrophobicContact CB-CD1 4.24Å; C63-F67 HydrophobicContact CB-CD2 4.15Å; C63-F67 HydrophobicContact CB-CE1 3.82Å; C63-F67 HydrophobicContact CB-CE2 3.74Å; C63-F67 HydrophobicContact CB-CG 4.38Å; C63-F67 HydrophobicContact CB-CZ 3.55Å
64E96.5Very high98.1Very high107 Ų10737.5 Ų37.550%0.519%0.19SC..G310 helixtrans48.5-126.4179.9-57.3-175.4175.200112.2G62 H66 F67 W142G62-E64 VanDerWaalsContact C-N 3.29Å; E64-H66 PolarHBondContact O-N 2.65Å; E64-F67 WeakPolarHBondContact O-CB 3.46Å; E64-F67 WeakPolarHBondContact O-CD2 3.25Å; E64-F67 PolarHBondContact O-N 3.22Å; E64-W142 VanDerWaalsContact C-CE2 3.49Å; E64-W142 VanDerWaalsContact C-NE1 3.26Å; E64-W142 VanDerWaalsContact CA-CZ2 3.44Å; E64-W142 HydrophobicContact CB-CH2 4.25Å; E64-W142 HydrophobicContact CB-CZ2 3.67Å; E64-W142 HydrophobicContact CG-CH2 4.12Å; E64-W142 HydrophobicContact CG-CZ2 3.97Å; E64-W142 PolarHBondContact O-NE1 3.17Å
65D97.4Very high98.1Very high69 Ų6940.7 Ų40.737%0.36921%0.205SC..G310 helixtrans-64.8-13.1-174.9-74.44.1000114.1C63 F67 H68 R141 W142C63-D65 PolarHBondContact O-N 3.3Å; D65-F67 PolarHBondContact O-N 2.96Å; D65-H68 VanDerWaalsContact O-CB 3.29Å; D65-H68 WeakPolarHBondContact O-CB 3.38Å; D65-H68 PolarHBondContact O-N 3.47Å; D65-R141 IonicContact OD1-CZ 3.52Å; D65-R141 IonicContact OD1-NE 3.13Å; D65-R141 PolarHBondContact OD1-NE 2.96Å; D65-R141 IonicContact OD1-NH2 3.46Å; D65-R141 PolarHBondContact OD1-NH2 3.39Å; D65-R141 IonicContact OD2-CZ 3.51Å; D65-R141 IonicContact OD2-NE 3.96Å; D65-R141 IonicContact OD2-NH2 3.2Å; D65-R141 PolarHBondContact OD2-NH2 3.08Å; D65-W142 PolarHBondContact OD1-NE1 2.54Å
66H98.1Very high98.1Very high76 Ų7640.6 Ų40.635%0.35221%0.205SC..G310 helixtrans-64.1-16.4169.6-70.5-76.7000112.6L27 C63 E64 H68 E69 T72L27-H66 HydrophobicContact CD1-CB 4.23Å; L27-H66 HydrophobicContact CD2-CB 4.09Å; C63-H66 HydrophobicContact CB-CB 4.2Å; C63-H66 WeakPolarHBondContact O-CB 3.5Å; C63-H66 PolarHBondContact O-CD2 3.25Å; C63-H66 PolarHBondContact O-N 3.33Å; C63-H66 VanDerWaalsContact O-N 3.13Å; E64-H66 PolarHBondContact O-N 2.65Å; H66-H68 PolarHBondContact O-N 3.44Å; H66-E69 IonicContact CE1-OE1 3.94Å; H66-E69 IonicContact CE1-OE2 3.14Å; H66-E69 IonicContact CG-OE2 3.5Å; H66-E69 IonicContact ND1-OE1 3.93Å; H66-E69 PolarHBondContact ND1-OE1 2.85Å; H66-E69 VanDerWaalsContact ND1-OE1 3.09Å; H66-E69 IonicContact ND1-OE2 4Å; H66-E69 PolarHBondContact ND1-OE2 2.8Å; H66-E69 WeakPolarHBondContact O-CB 3.26Å; H66-E69 PolarHBondContact O-N 3.36Å; H66-T72 WeakPolarHBondContact O-CB 3.47Å; H66-T72 PolarHBondContact O-OG1 3.24Å
67F98.3Very high98.1Very high2 Ų241.6 Ų41.61%0.00921%0.208CC..G310 helixtrans-68.4-9.7168-67.8-52.1000113.4L56 Y61 C63 E64 D65 E69 T72 Y73 P103 W142 F143L56-F67 HydrophobicContact CD1-CE1 4.5Å; L56-F67 HydrophobicContact CD1-CE2 4.25Å; L56-F67 HydrophobicContact CD1-CZ 3.76Å; Y61-F67 WeakPolarHBondContact O-CE2 3.37Å; C63-F67 HydrophobicContact CB-CD1 4.24Å; C63-F67 HydrophobicContact CB-CD2 4.15Å; C63-F67 HydrophobicContact CB-CE1 3.82Å; C63-F67 HydrophobicContact CB-CE2 3.74Å; C63-F67 HydrophobicContact CB-CG 4.38Å; C63-F67 HydrophobicContact CB-CZ 3.55Å; E64-F67 WeakPolarHBondContact O-CB 3.46Å; E64-F67 WeakPolarHBondContact O-CD2 3.25Å; E64-F67 PolarHBondContact O-N 3.22Å; D65-F67 PolarHBondContact O-N 2.96Å; F67-E69 VanDerWaalsContact C-N 3.34Å; F67-T72 HydrophobicContact CD1-CG2 3.83Å; F67-T72 HydrophobicContact CE1-CG2 4.1Å; F67-Y73 WeakPolarHBondContact O-CE2 3.4Å; F67-Y73 PolarHBondContact O-OH 3.36Å; F67-P103 HydrophobicContact CD1-CB 4.1Å; F67-P103 HydrophobicContact CD1-CG 4.12Å; F67-P103 HydrophobicContact CE1-CB 4.12Å; F67-P103 HydrophobicContact CE1-CG 3.93Å; F67-W142 HydrophobicContact CB-CB 3.73Å; F67-W142 HydrophobicContact CB-CG 4.16Å; F67-W142 HydrophobicContact CD2-CB 4.15Å; F67-W142 HydrophobicContact CD2-CD2 4.17Å; F67-W142 HydrophobicContact CD2-CE3 4.16Å; F67-W142 HydrophobicContact CD2-CG 4.16Å; F67-W142 HydrophobicContact CG-CB 4.37Å; F67-F143 HydrophobicContact CB-CE1 4.49Å; F67-F143 HydrophobicContact CB-CZ 4.22Å; F67-F143 HydrophobicContact CD1-CE1 4.21Å; F67-F143 AromaticContact CD1-CZ 3.62Å; F67-F143 HydrophobicContact CD1-CZ 3.62Å; F67-F143 AromaticContact CD2-CE2 3.74Å; F67-F143 HydrophobicContact CD2-CE2 3.74Å; F67-F143 AromaticContact CD2-CZ 3.6Å; F67-F143 HydrophobicContact CD2-CZ 3.6Å; F67-F143 AromaticContact CE1-CZ 3.78Å; F67-F143 HydrophobicContact CE1-CZ 3.78Å; F67-F143 AromaticContact CE2-CE2 3.8Å; F67-F143 HydrophobicContact CE2-CE2 3.8Å; F67-F143 AromaticContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CG-CE1 4.21Å; F67-F143 HydrophobicContact CG-CE2 4.15Å; F67-F143 AromaticContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CZ-CE2 4.26Å; F67-F143 AromaticContact CZ-CZ 3.85Å; F67-F143 HydrophobicContact CZ-CZ 3.85Å
68H97.9Very high98.1Very high111 Ų11145.6 Ų45.651%0.51423%0.227SC..G310 helixtrans-83-10.9167.2-63.5-56000113.2D65 H66 R141 W142D65-H68 VanDerWaalsContact O-CB 3.29Å; D65-H68 WeakPolarHBondContact O-CB 3.38Å; D65-H68 PolarHBondContact O-N 3.47Å; H66-H68 PolarHBondContact O-N 3.44Å; H68-R141 PolarHBondContact CE1-O 2.84Å; H68-W142 AromaticContact NE2-CD1 3.55Å
69E98.2Very high98.1Very high91 Ų9146.1 Ų46.143%0.42523%0.23SC..SBendtrans-90.3128.3-179.3-59.2173.7176.800110.5H66 F67 D71 T72 Y73H66-E69 IonicContact CE1-OE1 3.94Å; H66-E69 IonicContact CE1-OE2 3.14Å; H66-E69 IonicContact CG-OE2 3.5Å; H66-E69 IonicContact ND1-OE1 3.93Å; H66-E69 PolarHBondContact ND1-OE1 2.85Å; H66-E69 VanDerWaalsContact ND1-OE1 3.09Å; H66-E69 IonicContact ND1-OE2 4Å; H66-E69 PolarHBondContact ND1-OE2 2.8Å; H66-E69 WeakPolarHBondContact O-CB 3.26Å; H66-E69 PolarHBondContact O-N 3.36Å; F67-E69 VanDerWaalsContact C-N 3.34Å; E69-D71 PolarHBondContact O-N 2.92Å; E69-T72 WeakPolarHBondContact O-CB 3.43Å; E69-T72 PolarHBondContact O-N 2.77Å; E69-T72 VanDerWaalsContact O-N 3.16Å; E69-Y73 WeakPolarHBondContact O-CD2 3.43Å
70L98Very high98.2Very high119 Ų11946.1 Ų46.162%0.62323%0.23SC*.Hα-helixtrans-60.4-27.2178.3-68177.7000112.7T72 Y73 T74 L105L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.12Å; L70-Y73 PolarHBondContact O-N 3Å; L70-T74 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-OG1 3.24Å; L70-L105 HydrophobicContact CD2-CD1 3.63Å
71D98.4Very high98.2Very high98 Ų9846.3 Ų46.352%0.52423%0.232SC..Hα-helixtrans-61.9-35.7179-74.97.3000111.3E69 Y73 T74 H75E69-D71 PolarHBondContact O-N 2.92Å; D71-Y73 VanDerWaalsContact C-N 3.29Å; D71-Y73 PolarHBondContact O-N 2.92Å; D71-T74 PolarHBondContact O-N 3.26Å; D71-H75 WeakPolarHBondContact O-CB 3.25Å; D71-H75 PolarHBondContact O-CD2 2.97Å; D71-H75 PolarHBondContact O-N 3.12Å
72T98.6Very high98.2Very high2 Ų250.4 Ų50.41%0.01225%0.25CS..Hα-helixtrans-59-41.4177.5-60.30000111.6F29 H66 F67 E69 L70 S76 P103F29-T72 HydrophobicContact CZ-CG2 4.28Å; H66-T72 WeakPolarHBondContact O-CB 3.47Å; H66-T72 PolarHBondContact O-OG1 3.24Å; F67-T72 HydrophobicContact CD1-CG2 3.83Å; F67-T72 HydrophobicContact CE1-CG2 4.1Å; E69-T72 WeakPolarHBondContact O-CB 3.43Å; E69-T72 PolarHBondContact O-N 2.77Å; E69-T72 VanDerWaalsContact O-N 3.16Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.12Å; T72-S76 VanDerWaalsContact O-CB 3.3Å; T72-S76 WeakPolarHBondContact O-CB 3.35Å; T72-S76 PolarHBondContact O-N 3.38Å; T72-S76 VanDerWaalsContact O-N 3.08Å; T72-S76 PolarHBondContact O-OG 3.34Å; T72-P103 HydrophobicContact CG2-CG 4.09Å
73Y98.6Very high98.3Very high11 Ų1150 Ų504%0.04325%0.246CC..Hα-helixtrans-74.3-41.2177.2-56.1-90.3000111.8F67 E69 L70 D71 S76 W77 P103 L105 A110F67-Y73 WeakPolarHBondContact O-CE2 3.4Å; F67-Y73 PolarHBondContact O-OH 3.36Å; E69-Y73 WeakPolarHBondContact O-CD2 3.43Å; L70-Y73 PolarHBondContact O-N 3Å; D71-Y73 VanDerWaalsContact C-N 3.29Å; D71-Y73 PolarHBondContact O-N 2.92Å; Y73-S76 PolarHBondContact O-N 2.91Å; Y73-W77 VanDerWaalsContact O-CD1 3.23Å; Y73-W77 PolarHBondContact O-N 2.93Å; Y73-P103 HydrophobicContact CD1-CB 3.99Å; Y73-P103 HydrophobicContact CD1-CG 4.26Å; Y73-P103 HydrophobicContact CE1-CB 3.65Å; Y73-P103 HydrophobicContact CE1-CG 4.32Å; Y73-L105 HydrophobicContact CD1-CB 4.28Å; Y73-L105 HydrophobicContact CD1-CD1 3.96Å; Y73-L105 HydrophobicContact CD1-CG 3.58Å; Y73-L105 HydrophobicContact CD2-CD1 3.55Å; Y73-L105 HydrophobicContact CD2-CG 4.01Å; Y73-L105 HydrophobicContact CE1-CD1 4.26Å; Y73-L105 HydrophobicContact CE1-CD2 4.21Å; Y73-L105 HydrophobicContact CE1-CG 3.61Å; Y73-L105 HydrophobicContact CE2-CD1 3.92Å; Y73-L105 HydrophobicContact CE2-CD2 4.47Å; Y73-L105 HydrophobicContact CE2-CG 4.08Å; Y73-L105 HydrophobicContact CG-CD1 3.57Å; Y73-L105 HydrophobicContact CG-CG 3.77Å; Y73-A110 HydrophobicContact CE1-CB 4.24Å; Y73-A110 WeakPolarHBondContact OH-CB 3.29Å
74T98.4Very high98.4Very high69 Ų6949.8 Ų49.842%0.42324%0.244SC..Hα-helixtrans-61-49179-590000110.9L70 D71 W77 Q78L70-T74 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-OG1 3.24Å; D71-T74 PolarHBondContact O-N 3.26Å; T74-W77 PolarHBondContact O-N 3.5Å; T74-Q78 WeakPolarHBondContact O-CG 3.39Å; T74-Q78 PolarHBondContact O-N 2.98Å
75H98.7Very high98.4Very high66 Ų6647.6 Ų47.631%0.30624%0.236SC..Hα-helixtrans-67.3-36177-68-48.9000112.2F29 D71 W77 Q78 C79F29-H75 HydrophobicContact CD1-CB 3.86Å; F29-H75 HydrophobicContact CD2-CB 3.6Å; F29-H75 HydrophobicContact CE1-CB 3.8Å; F29-H75 HydrophobicContact CE2-CB 3.54Å; F29-H75 AromaticContact CE2-CD2 3.95Å; F29-H75 HydrophobicContact CG-CB 3.77Å; F29-H75 HydrophobicContact CZ-CB 3.65Å; D71-H75 WeakPolarHBondContact O-CB 3.25Å; D71-H75 PolarHBondContact O-CD2 2.97Å; D71-H75 PolarHBondContact O-N 3.12Å; H75-W77 VanDerWaalsContact C-N 3.32Å; H75-W77 PolarHBondContact O-N 3.1Å; H75-Q78 PolarHBondContact ND1-OE1 2.97Å; H75-Q78 WeakPolarHBondContact O-CB 3.23Å; H75-Q78 PolarHBondContact O-N 2.69Å; H75-C79 PolarHBondContact O-N 3.48Å; H75-C79 PolarHBondContact O-SG 2.78Å
76S98.8Very high98.5Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-59.7-42.9173.7-62.90000111.9T72 Y73 C79 I80 M102T72-S76 VanDerWaalsContact O-CB 3.3Å; T72-S76 WeakPolarHBondContact O-CB 3.35Å; T72-S76 PolarHBondContact O-N 3.38Å; T72-S76 VanDerWaalsContact O-N 3.08Å; T72-S76 PolarHBondContact O-OG 3.34Å; Y73-S76 PolarHBondContact O-N 2.91Å; S76-C79 WeakPolarHBondContact O-CB 3.37Å; S76-C79 PolarHBondContact O-N 3.02Å; S76-I80 PolarHBondContact O-N 2.77Å; S76-M102 VanDerWaalsContact CB-CE 3.48Å
77W98.8Very high98.5Very high21 Ų2143.4 Ų43.48%0.0822%0.215CC..Hα-helixtrans-68.5-33.9175.1-77.7120.5000113.8Y73 T74 H75 C79 I80 A81 M102 V104 I125 F155 L157 P158 I160 V161Y73-W77 VanDerWaalsContact O-CD1 3.23Å; Y73-W77 PolarHBondContact O-N 2.93Å; T74-W77 PolarHBondContact O-N 3.5Å; H75-W77 VanDerWaalsContact C-N 3.32Å; H75-W77 PolarHBondContact O-N 3.1Å; W77-C79 VanDerWaalsContact C-N 3.29Å; W77-C79 PolarHBondContact O-N 2.88Å; W77-I80 HydrophobicContact CE3-CB 4.16Å; W77-I80 HydrophobicContact CE3-CG1 4.36Å; W77-I80 HydrophobicContact CE3-CG2 4.25Å; W77-I80 HydrophobicContact CZ3-CG2 4.25Å; W77-I80 PolarHBondContact O-N 2.91Å; W77-A81 WeakPolarHBondContact O-CB 3.18Å; W77-A81 PolarHBondContact O-N 3.42Å; W77-M102 HydrophobicContact CD2-CE 3.62Å; W77-M102 HydrophobicContact CE3-CE 4.04Å; W77-M102 HydrophobicContact CE3-SD 4.43Å; W77-M102 HydrophobicContact CG-CE 3.91Å; W77-M102 HydrophobicContact CZ2-CE 4.2Å; W77-V104 HydrophobicContact CZ2-CG1 4.17Å; W77-V104 HydrophobicContact CZ2-CG2 4.26Å; W77-I125 HydrophobicContact CH2-CD1 3.95Å; W77-F155 HydrophobicContact CH2-CE1 4.01Å; W77-F155 AromaticContact CZ2-CE1 3.65Å; W77-F155 HydrophobicContact CZ2-CE1 3.65Å; W77-F155 AromaticContact CZ2-CZ 3.79Å; W77-F155 HydrophobicContact CZ2-CZ 3.79Å; W77-L157 HydrophobicContact CH2-CD2 4.09Å; W77-L157 HydrophobicContact CZ3-CD2 4.34Å; W77-P158 HydrophobicContact CB-CG 4.2Å; W77-P158 HydrophobicContact CD2-CG 3.51Å; W77-P158 HydrophobicContact CE3-CG 3.87Å; W77-P158 HydrophobicContact CG-CG 3.69Å; W77-P158 HydrophobicContact CZ2-CG 4.33Å; W77-P158 HydrophobicContact CZ3-CG 4.38Å; W77-I160 HydrophobicContact CB-CG2 4.26Å; W77-V161 HydrophobicContact CD2-CG2 4.38Å; W77-V161 HydrophobicContact CE3-CG2 3.49Å; W77-V161 VanDerWaalsContact CE3-CG2 3.49Å; W77-V161 HydrophobicContact CZ3-CG2 3.94Å
78Q98.8Very high98.4Very high85 Ų8546.2 Ų46.240%0.39723%0.23SC..Hα-helixtrans-61.1-39.4170.5-70.2167.8-300111.6T74 H75 A81 K82 I160T74-Q78 WeakPolarHBondContact O-CG 3.39Å; T74-Q78 PolarHBondContact O-N 2.98Å; H75-Q78 PolarHBondContact ND1-OE1 2.97Å; H75-Q78 WeakPolarHBondContact O-CB 3.23Å; H75-Q78 PolarHBondContact O-N 2.69Å; Q78-A81 PolarHBondContact O-N 3.49Å; Q78-K82 PolarHBondContact O-N 3.31Å; Q78-I160 HydrophobicContact CB-CD1 4.21Å; Q78-I160 HydrophobicContact CG-CD1 3.54Å
79C98.9Very high98.3Very high10 Ų1048.6 Ų48.67%0.06824%0.241CC..Hα-helixtrans-64.4-45.3175.7-62.60000111.7T33 I58 H75 S76 W77 A81 K82 I83T33-C79 VanDerWaalsContact OG1-CB 3.23Å; T33-C79 WeakPolarHBondContact OG1-CB 3.28Å; T33-C79 PolarHBondContact OG1-SG 2.94Å; I58-C79 HydrophobicContact CD1-CB 4.12Å; I58-C79 HydrophobicContact CG2-CB 3.65Å; H75-C79 PolarHBondContact O-N 3.48Å; H75-C79 PolarHBondContact O-SG 2.78Å; S76-C79 WeakPolarHBondContact O-CB 3.37Å; S76-C79 PolarHBondContact O-N 3.02Å; W77-C79 VanDerWaalsContact C-N 3.29Å; W77-C79 PolarHBondContact O-N 2.88Å; C79-A81 VanDerWaalsContact C-N 3.35Å; C79-A81 PolarHBondContact O-N 2.69Å; C79-K82 WeakPolarHBondContact O-CB 3.4Å; C79-K82 PolarHBondContact O-N 2.96Å; C79-I83 WeakPolarHBondContact O-CG1 3.41Å; C79-I83 PolarHBondContact O-N 3.42Å
80I98.8Very high98.3Very high0 Ų046 Ų460%023%0.23CC..Hα-helixtrans-60.8-43.5174.9-67-58.9000111.5I58 S76 W77 K82 I83 L84 I100 M102 I115 L117 V161I58-I80 HydrophobicContact CG1-CD1 4.49Å; S76-I80 PolarHBondContact O-N 2.77Å; W77-I80 HydrophobicContact CE3-CB 4.16Å; W77-I80 HydrophobicContact CE3-CG1 4.36Å; W77-I80 HydrophobicContact CE3-CG2 4.25Å; W77-I80 HydrophobicContact CZ3-CG2 4.25Å; W77-I80 PolarHBondContact O-N 2.91Å; I80-K82 VanDerWaalsContact C-N 3.29Å; I80-K82 PolarHBondContact O-N 3.11Å; I80-I83 PolarHBondContact O-N 3.09Å; I80-L84 HydrophobicContact CG2-CD1 3.89Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CB 3.1Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.05Å; I80-I100 HydrophobicContact CD1-CD1 4.44Å; I80-I100 HydrophobicContact CD1-CG2 3.97Å; I80-M102 HydrophobicContact CD1-SD 3.98Å; I80-M102 HydrophobicContact CG1-SD 3.34Å; I80-M102 WeakPolarHBondContact CG1-SD 3.23Å; I80-I115 HydrophobicContact CD1-CB 4.45Å; I80-L117 HydrophobicContact CG2-CD1 4.45Å; I80-V161 HydrophobicContact CG2-CG2 4.23Å
81A98.7Very high98.2Very high5 Ų545.5 Ų45.54%0.04123%0.232CC..Hα-helixtrans-60.9-40.2176.900000111.8W77 Q78 C79 L84 N85 I160 V161 V164W77-A81 WeakPolarHBondContact O-CB 3.18Å; W77-A81 PolarHBondContact O-N 3.42Å; Q78-A81 PolarHBondContact O-N 3.49Å; C79-A81 VanDerWaalsContact C-N 3.35Å; C79-A81 PolarHBondContact O-N 2.69Å; A81-L84 PolarHBondContact O-N 3.46Å; A81-N85 PolarHBondContact O-N 2.68Å; A81-I160 HydrophobicContact CB-CD1 4.36Å; A81-I160 HydrophobicContact CB-CG1 3.86Å; A81-V161 HydrophobicContact CB-CG2 4.41Å; A81-V164 HydrophobicContact CB-CG2 4.02Å
82K98.6Very high98.1Very high103 Ų10343.9 Ų43.945%0.44822%0.221SC..Hα-helixtrans-63.1-44.1173.8-178.6174.1177.8178.80112.3T33 Q78 C79 I80 N85 E86T33-K82 HydrophobicContact CG2-CD 4.06Å; T33-K82 HydrophobicContact CG2-CG 4.44Å; Q78-K82 PolarHBondContact O-N 3.31Å; C79-K82 WeakPolarHBondContact O-CB 3.4Å; C79-K82 PolarHBondContact O-N 2.96Å; I80-K82 VanDerWaalsContact C-N 3.29Å; I80-K82 PolarHBondContact O-N 3.11Å; K82-N85 PolarHBondContact O-N 3.09Å; K82-E86 PolarHBondContact O-N 3.24Å
83I98.7Very high98.1Very high0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-64.3-41.2177.9-68.5166.8000110.8T33 V36 I37 I58 C79 I80 E86 I87 M93 I100 L117T33-I83 HydrophobicContact CG2-CD1 4.19Å; T33-I83 HydrophobicContact CG2-CG1 3.9Å; V36-I83 HydrophobicContact CB-CD1 4.37Å; V36-I83 HydrophobicContact CG1-CD1 3.82Å; I37-I83 HydrophobicContact CD1-CG1 4.43Å; I37-I83 HydrophobicContact CG1-CG1 4.11Å; I58-I83 HydrophobicContact CD1-CD1 3.76Å; C79-I83 WeakPolarHBondContact O-CG1 3.41Å; C79-I83 PolarHBondContact O-N 3.42Å; I80-I83 PolarHBondContact O-N 3.09Å; I83-E86 PolarHBondContact O-N 2.94Å; I83-I87 HydrophobicContact CG2-CD1 3.88Å; I83-I87 HydrophobicContact CG2-CG1 4.4Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.39Å; I83-I87 PolarHBondContact O-N 2.86Å; I83-M93 HydrophobicContact CG2-CE 4.21Å; I83-I100 HydrophobicContact CD1-CD1 4.02Å; I83-I100 HydrophobicContact CG2-CD1 4.05Å; I83-L117 HydrophobicContact CG2-CD1 4.03Å
84L98.6Very high98.1Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-61.9-42.5175.5-78.8166.6000112.4I80 A81 I87 N88 L117 V122 V161 V164 T165I80-L84 HydrophobicContact CG2-CD1 3.89Å; I80-L84 HydrophobicContact CG2-CG 4.4Å; I80-L84 WeakPolarHBondContact O-CB 3.1Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 3.05Å; A81-L84 PolarHBondContact O-N 3.46Å; L84-I87 WeakPolarHBondContact O-CB 3.34Å; L84-I87 PolarHBondContact O-N 2.9Å; L84-N88 VanDerWaalsContact O-CG 3.22Å; L84-N88 PolarHBondContact O-N 2.7Å; L84-N88 PolarHBondContact O-ND2 2.86Å; L84-L117 HydrophobicContact CD2-CD1 4.19Å; L84-L117 HydrophobicContact CD2-CD2 4.19Å; L84-L117 HydrophobicContact CG-CD1 4.2Å; L84-V122 HydrophobicContact CD1-CG2 4.4Å; L84-V161 HydrophobicContact CD1-CG1 3.77Å; L84-V164 HydrophobicContact CB-CG2 3.84Å; L84-V164 HydrophobicContact CD1-CG2 4.02Å; L84-T165 HydrophobicContact CD1-CG2 3.8Å
85N97.9Very high98Very high62 Ų6246.8 Ų46.833%0.33223%0.232SC..Hα-helixtrans-58.9-47.1172.9-81.4-19000111.6A81 K82 I87 N88 E89 V164A81-N85 PolarHBondContact O-N 2.68Å; K82-N85 PolarHBondContact O-N 3.09Å; N85-I87 VanDerWaalsContact C-N 3.32Å; N85-I87 PolarHBondContact O-N 3.14Å; N85-N88 PolarHBondContact O-N 3.01Å; N85-N88 VanDerWaalsContact O-N 3.13Å; N85-E89 WeakPolarHBondContact O-CB 3.36Å; N85-E89 WeakPolarHBondContact O-CG 3.3Å; N85-E89 PolarHBondContact O-N 2.89Å; N85-V164 VanDerWaalsContact OD1-CB 3.22Å; N85-V164 WeakPolarHBondContact OD1-CB 3.36Å; N85-V164 WeakPolarHBondContact OD1-CG1 3.37Å
86E98.1Very high97.9Very high56 Ų5643.7 Ų43.726%0.26222%0.218SC..Hα-helixtrans-61.5-38.7175.8-71-87.716400112.2I37 K41 K82 I83 N88 E89 N90 M93I37-E86 HydrophobicContact CD1-CG 3.97Å; K41-E86 IonicContact NZ-OE2 2.81Å; K41-E86 PolarHBondContact NZ-OE2 2.86Å; K82-E86 PolarHBondContact O-N 3.24Å; I83-E86 PolarHBondContact O-N 2.94Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 3.13Å; E86-E89 PolarHBondContact O-N 2.97Å; E86-N90 WeakPolarHBondContact O-CA 3.46Å; E86-N90 WeakPolarHBondContact O-CB 3.33Å; E86-N90 PolarHBondContact O-N 2.9Å; E86-M93 HydrophobicContact CB-CE 4.26Å; E86-M93 HydrophobicContact CB-SD 3.69Å
87I98.1Very high97.9Very high1 Ų143.7 Ų43.71%0.00522%0.218CC..Hα-helixtrans-60.9-41.9173.7-71.3166.2000111.1I83 L84 N85 M93 Q94 L117I83-I87 HydrophobicContact CG2-CD1 3.88Å; I83-I87 HydrophobicContact CG2-CG1 4.4Å; I83-I87 VanDerWaalsContact O-CG1 3.3Å; I83-I87 WeakPolarHBondContact O-CG1 3.39Å; I83-I87 PolarHBondContact O-N 2.86Å; L84-I87 WeakPolarHBondContact O-CB 3.34Å; L84-I87 PolarHBondContact O-N 2.9Å; N85-I87 VanDerWaalsContact C-N 3.32Å; N85-I87 PolarHBondContact O-N 3.14Å; I87-M93 HydrophobicContact CG1-CB 4.05Å; I87-M93 HydrophobicContact CG1-CE 3.91Å; I87-Q94 WeakPolarHBondContact O-CG 3.37Å; I87-L117 HydrophobicContact CD1-CB 4.12Å; I87-L117 HydrophobicContact CD1-CD1 4.12Å
88N96.9Very high97.9Very high61 Ų6142.7 Ų42.733%0.32621%0.214SC..Hα-helixtrans-70.5-39.1-178.8-68.3-27.3000112.2L84 N85 E86 Q94 G120 V164L84-N88 VanDerWaalsContact O-CG 3.22Å; L84-N88 PolarHBondContact O-N 2.7Å; L84-N88 PolarHBondContact O-ND2 2.86Å; N85-N88 PolarHBondContact O-N 3.01Å; N85-N88 VanDerWaalsContact O-N 3.13Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 3.13Å; N88-Q94 PolarHBondContact O-NE2 3.48Å; N88-Q94 VanDerWaalsContact O-NE2 3.12Å; N88-G120 VanDerWaalsContact OD1-CA 3.23Å; N88-G120 WeakPolarHBondContact OD1-CA 3.49Å; N88-V164 PolarHBondContact ND2-O 2.76Å
89E96.6Very high97.9Very high160 Ų16038.6 Ų38.675%0.74820%0.195SC*.Hα-helixtrans-92.2-27-172.7-66.1179173.400113.6N85 E86N85-E89 WeakPolarHBondContact O-CB 3.36Å; N85-E89 WeakPolarHBondContact O-CG 3.3Å; N85-E89 PolarHBondContact O-N 2.89Å; E86-E89 PolarHBondContact O-N 2.97Å
90N97.1Very high97.9Very high37 Ų3738.1 Ų38.120%0.19819%0.192CC..  trans-109.5114.8-173.1-163.5-34.8000112.2K41 E86 E92 M93 Q94K41-N90 WeakPolarHBondContact CE-ND2 3.34Å; K41-N90 PolarHBondContact NZ-ND2 3.31Å; K41-N90 VanDerWaalsContact NZ-ND2 3.14Å; E86-N90 WeakPolarHBondContact O-CA 3.46Å; E86-N90 WeakPolarHBondContact O-CB 3.33Å; E86-N90 PolarHBondContact O-N 2.9Å; N90-E92 PolarHBondContact O-N 3.21Å; N90-E92 VanDerWaalsContact O-N 3.15Å; N90-E92 VanDerWaalsContact OD1-CB 3.32Å; N90-E92 WeakPolarHBondContact OD1-CB 3.36Å; N90-E92 PolarHBondContact OD1-N 2.81Å; N90-M93 PolarHBondContact O-N 3.31Å; N90-Q94 PolarHBondContact O-N 3.1Å
91V96.4Very high98Very high108 Ų10838.1 Ų38.166%0.65519%0.192SC*.G310 helixtrans-58.3-27.3177.369.40000113.5M93 Q94V91-M93 PolarHBondContact O-N 3.41Å; V91-Q94 PolarHBondContact O-N 3.31Å
92E96.8Very high98Very high65 Ų6537.9 Ų37.930%0.30419%0.19SC..G310 helixtrans-70.3-5.2174.7-61.7-170.6107.800113.3K41 K44 R45 N90K41-E92 HydrophobicContact CB-CB 4.33Å; K41-E92 HydrophobicContact CG-CB 4.02Å; K44-E92 WeakPolarHBondContact CB-O 3.26Å; K44-E92 VanDerWaalsContact CG-O 3.31Å; K44-E92 WeakPolarHBondContact CG-O 3.4Å; R45-E92 WeakPolarHBondContact CD-OE1 3.44Å; R45-E92 IonicContact CZ-OE1 3.61Å; R45-E92 IonicContact NH1-OE1 3.43Å; R45-E92 PolarHBondContact NH1-OE1 3.08Å; R45-E92 IonicContact NH1-OE2 3.19Å; N90-E92 PolarHBondContact O-N 3.21Å; N90-E92 VanDerWaalsContact O-N 3.15Å; N90-E92 VanDerWaalsContact OD1-CB 3.32Å; N90-E92 WeakPolarHBondContact OD1-CB 3.36Å; N90-E92 PolarHBondContact OD1-N 2.81Å
93M98.2Very high98Very high0 Ų033 Ų330%017%0.169CC..G310 helixtrans-121.34.2177.1-64.2-173.567.400113.1I37 V40 K41 I83 E86 I87 N90 V91 I96I37-M93 HydrophobicContact CG1-CE 4.23Å; I37-M93 HydrophobicContact CG2-CE 4.47Å; I37-M93 HydrophobicContact CG2-SD 3.85Å; V40-M93 HydrophobicContact CB-CE 3.9Å; V40-M93 HydrophobicContact CB-CG 4.45Å; V40-M93 HydrophobicContact CG1-CB 4.14Å; V40-M93 HydrophobicContact CG1-CE 3.78Å; V40-M93 HydrophobicContact CG1-CG 3.84Å; V40-M93 HydrophobicContact CG2-CE 4.26Å; K41-M93 HydrophobicContact CD-CG 4.5Å; K41-M93 HydrophobicContact CD-SD 4.49Å; K41-M93 VanDerWaalsContact CE-SD 3.55Å; K41-M93 HydrophobicContact CG-CG 3.66Å; K41-M93 HydrophobicContact CG-SD 4.09Å; I83-M93 HydrophobicContact CG2-CE 4.21Å; E86-M93 HydrophobicContact CB-CE 4.26Å; E86-M93 HydrophobicContact CB-SD 3.69Å; I87-M93 HydrophobicContact CG1-CB 4.05Å; I87-M93 HydrophobicContact CG1-CE 3.91Å; N90-M93 PolarHBondContact O-N 3.31Å; V91-M93 PolarHBondContact O-N 3.41Å; M93-I96 WeakPolarHBondContact O-CG2 3.42Å
94Q97.2Very high98Very high68 Ų6833 Ų3332%0.31817%0.169SC..SBendtrans-87.3156.7173.4-68.2-177.6-0.100111.4K44 I87 N88 N90 V91 I96K44-Q94 WeakPolarHBondContact CD-O 3.48Å; K44-Q94 WeakPolarHBondContact CE-O 3.23Å; K44-Q94 PolarHBondContact NZ-O 3.01Å; I87-Q94 WeakPolarHBondContact O-CG 3.37Å; N88-Q94 PolarHBondContact O-NE2 3.48Å; N88-Q94 VanDerWaalsContact O-NE2 3.12Å; N90-Q94 PolarHBondContact O-N 3.1Å; V91-Q94 PolarHBondContact O-N 3.31Å; Q94-I96 PolarHBondContact O-N 2.81Å
95D96.6Very high98Very high74 Ų7435.4 Ų35.440%0.39618%0.181SC..SBendtrans51.342.3178.4-61.4-41000113K44 N119 F340K44-D95 PolarHBondContact NZ-O 2.99Å; D95-N119 PolarHBondContact N-OD1 2.85Å; D95-N119 PolarHBondContact OD1-ND2 3.02Å; D95-F340 HydrophobicContact CB-CE2 3.84Å; D95-F340 HydrophobicContact CB-CZ 4.14Å; D95-F340 WeakPolarHBondContact O-CZ 3.46Å
96I98.1Very high97.9Very high1 Ų134.3 Ų34.31%0.00518%0.176CC..SBendtrans-142.3128.9171.1-176.1168.2000108.2V40 A43 K44 A48 K49 R51 M93 Q94 C98V40-I96 HydrophobicContact CG1-CG2 3.87Å; A43-I96 HydrophobicContact CB-CD1 3.7Å; K44-I96 HydrophobicContact CB-CD1 4.26Å; K44-I96 HydrophobicContact CD-CB 4.11Å; K44-I96 HydrophobicContact CD-CG2 4.25Å; A48-I96 WeakPolarHBondContact O-CD1 3.37Å; K49-I96 WeakPolarHBondContact O-CA 3.37Å; R51-I96 HydrophobicContact CB-CD1 3.95Å; R51-I96 HydrophobicContact CB-CG1 4.29Å; M93-I96 WeakPolarHBondContact O-CG2 3.42Å; Q94-I96 PolarHBondContact O-N 2.81Å; I96-C98 PolarHBondContact O-N 2.86Å
97V98.7Very high97.7Very high0 Ų035.6 Ų35.60%020%0.203CC..EExtended strand (participates in β ladder)trans-73126.8173.7-176.50000108.1K49 Y50 R51 L117 L118 F181 F340 L342K49-V97 PolarHBondContact O-N 2.96Å; Y50-V97 HydrophobicContact CD2-CB 3.62Å; Y50-V97 HydrophobicContact CD2-CG1 3.83Å; Y50-V97 HydrophobicContact CD2-CG2 3.98Å; Y50-V97 HydrophobicContact CE1-CG1 4.48Å; Y50-V97 HydrophobicContact CE2-CB 3.89Å; Y50-V97 HydrophobicContact CE2-CG1 3.52Å; Y50-V97 HydrophobicContact CE2-CG2 4.35Å; Y50-V97 HydrophobicContact CG-CB 4.04Å; Y50-V97 HydrophobicContact CG-CG1 4.44Å; R51-V97 PolarHBondContact N-O 2.96Å; V97-L117 CarbonylContact C-O 3.59Å; V97-L117 WeakPolarHBondContact CA-O 3.34Å; V97-L118 HydrophobicContact CG2-CD1 4.12Å; V97-L118 HydrophobicContact CG2-CD2 4.34Å; V97-F181 HydrophobicContact CG1-CZ 4.45Å; V97-F181 HydrophobicContact CG2-CE1 3.52Å; V97-F181 HydrophobicContact CG2-CZ 3.86Å; V97-F340 HydrophobicContact CG2-CD1 4.27Å; V97-F340 HydrophobicContact CG2-CE1 4.31Å; V97-L342 HydrophobicContact CG2-CD1 4.26Å
98C98.8Very high97.6Very high0 Ų038.9 Ų38.90%024%0.238CC..EExtended strand (participates in β ladder)trans-106.2112.6175.7-57.40000109V40 I96 I100 L116 L117V40-C98 VanDerWaalsContact CG1-SG 3.59Å; V40-C98 HydrophobicContact CG2-CB 4.45Å; I96-C98 PolarHBondContact O-N 2.86Å; C98-I100 HydrophobicContact CB-CD1 4.03Å; C98-I100 HydrophobicContact CB-CG1 4.29Å; C98-L116 WeakPolarHBondContact O-CA 3.48Å; C98-L117 HydrophobicContact CB-CB 4.24Å; C98-L117 PolarHBondContact N-O 2.85Å; C98-L117 PolarHBondContact O-N 2.89Å
99D98.9Very high97.6Very high0 Ų038.3 Ų38.30%024%0.237CC..EExtended strand (participates in β ladder)trans-102.1114.1174.2-174-30.5000109.5Y50 R51 G53 R114 L116 L194Y50-D99 HydrophobicContact CE1-CB 3.7Å; Y50-D99 PolarHBondContact OH-OD2 3.47Å; Y50-D99 VanDerWaalsContact OH-OD2 3.06Å; R51-D99 PolarHBondContact NH1-O 3.22Å; R51-D99 WeakPolarHBondContact O-CB 3.36Å; R51-D99 PolarHBondContact O-N 2.7Å; G53-D99 PolarHBondContact N-O 3.4Å; G53-D99 VanDerWaalsContact N-O 3.11Å; D99-R114 IonicContact OD1-CZ 3.02Å; D99-R114 IonicContact OD1-NE 2.67Å; D99-R114 PolarHBondContact OD1-NE 3.46Å; D99-R114 IonicContact OD1-NH2 3.85Å; D99-R114 PolarHBondContact OD1-NH2 3.19Å; D99-R114 IonicContact OD2-CZ 2.8Å; D99-R114 IonicContact OD2-NE 3.29Å; D99-R114 PolarHBondContact OD2-NE 3.06Å; D99-R114 IonicContact OD2-NH2 3.92Å; D99-R114 PolarHBondContact OD2-NH2 3.14Å; D99-L116 HydrophobicContact CB-CG 4.35Å; D99-L194 WeakPolarHBondContact OD2-CD2 3.16Å
100I98.9Very high97.7Very high0 Ų031.3 Ų31.30%021%0.206CC..EExtended strand (participates in β ladder)trans-129.1128.6-164.3-62.6171000110.9V36 E57 I58 I80 I83 C98 R114 I115 L117V36-I100 HydrophobicContact CG1-CD1 4.02Å; V36-I100 HydrophobicContact CG1-CG1 4.22Å; E57-I100 HydrophobicContact CG-CG2 4.18Å; E57-I100 WeakPolarHBondContact OE1-CA 3.44Å; E57-I100 WeakPolarHBondContact OE1-CB 3.4Å; E57-I100 WeakPolarHBondContact OE1-CG2 3.43Å; I58-I100 HydrophobicContact CD1-CG2 3.76Å; I58-I100 HydrophobicContact CG1-CG2 3.47Å; I58-I100 VanDerWaalsContact CG1-CG2 3.47Å; I80-I100 HydrophobicContact CD1-CD1 4.44Å; I80-I100 HydrophobicContact CD1-CG2 3.97Å; I83-I100 HydrophobicContact CD1-CD1 4.02Å; I83-I100 HydrophobicContact CG2-CD1 4.05Å; C98-I100 HydrophobicContact CB-CD1 4.03Å; C98-I100 HydrophobicContact CB-CG1 4.29Å; I100-R114 CarbonylContact O-C 3.6Å; I100-R114 WeakPolarHBondContact O-CA 3.43Å; I100-I115 PolarHBondContact N-O 3.33Å; I100-I115 PolarHBondContact O-N 2.74Å; I100-L117 HydrophobicContact CD1-CD1 3.91Å
101G98.9Very high97.8Very high0 Ų030.5 Ų30.50%020%0.2CC..EExtended strand (participates in β ladder)trans-83.9130.4176.500000113.9L56 E57 I58 C113L56-G101 CarbonylContact C-O 3.52Å; L56-G101 VanDerWaalsContact C-O 3.27Å; E57-G101 PolarHBondContact N-O 3.03Å; E57-G101 VanDerWaalsContact N-O 3.09Å; I58-G101 WeakPolarHBondContact CG1-O 3.32Å; I58-G101 PolarHBondContact N-O 2.9Å; G101-C113 CarbonylContact C-O 3.45Å; G101-C113 WeakPolarHBondContact CA-O 3.1Å
102M98.8Very high97.9Very high0 Ų025.5 Ų25.50%017%0.17CC..EExtended strand (participates in β ladder)trans-157159.917073.9174.8-98.900112.1L56 I58 S76 W77 I80 V104 C113 I115L56-M102 VanDerWaalsContact CD2-C 3.44Å; I58-M102 HydrophobicContact CB-CB 3.96Å; I58-M102 HydrophobicContact CG1-CB 4.14Å; I58-M102 HydrophobicContact CG2-CB 4.49Å; S76-M102 VanDerWaalsContact CB-CE 3.48Å; W77-M102 HydrophobicContact CD2-CE 3.62Å; W77-M102 HydrophobicContact CE3-CE 4.04Å; W77-M102 HydrophobicContact CE3-SD 4.43Å; W77-M102 HydrophobicContact CG-CE 3.91Å; W77-M102 HydrophobicContact CZ2-CE 4.2Å; I80-M102 HydrophobicContact CD1-SD 3.98Å; I80-M102 HydrophobicContact CG1-SD 3.34Å; I80-M102 WeakPolarHBondContact CG1-SD 3.23Å; M102-V104 HydrophobicContact CE-CG2 4.08Å; M102-V104 HydrophobicContact CG-CG2 4.19Å; M102-C113 PolarHBondContact N-O 2.9Å; M102-C113 CarbonylContact O-C 3.59Å; M102-C113 WeakPolarHBondContact O-CA 3.46Å; M102-C113 WeakPolarHBondContact O-CB 3.2Å; M102-C113 PolarHBondContact O-N 2.77Å; M102-I115 HydrophobicContact CG-CD1 4.06Å; M102-I115 HydrophobicContact CG-CG1 3.55Å; M102-I115 HydrophobicContact SD-CD1 4.29Å; M102-I115 HydrophobicContact SD-CG1 3.74Å
103P98.8Very high98Very high0 Ų022.4 Ų22.40%016%0.155CC..EExtended strand (participates in β ladder)trans-76.314317134.4-37000110.9L56 F67 T72 Y73 Y111 F143L56-P103 HydrophobicContact CD2-CB 4.33Å; F67-P103 HydrophobicContact CD1-CB 4.1Å; F67-P103 HydrophobicContact CD1-CG 4.12Å; F67-P103 HydrophobicContact CE1-CB 4.12Å; F67-P103 HydrophobicContact CE1-CG 3.93Å; T72-P103 HydrophobicContact CG2-CG 4.09Å; Y73-P103 HydrophobicContact CD1-CB 3.99Å; Y73-P103 HydrophobicContact CD1-CG 4.26Å; Y73-P103 HydrophobicContact CE1-CB 3.65Å; Y73-P103 HydrophobicContact CE1-CG 4.32Å; P103-Y111 CarbonylContact C-O 3.51Å; P103-Y111 WeakPolarHBondContact CA-O 3.31Å; P103-F143 HydrophobicContact CB-CE1 3.79Å; P103-F143 HydrophobicContact CB-CZ 4.13Å
104V98.8Very high98Very high0 Ų022.4 Ų22.40%016%0.155CC..EExtended strand (participates in β ladder)trans-131.5134.2177.9177.60000110.2W77 M102 Y111 C113 I115 I125 F155 F174W77-V104 HydrophobicContact CZ2-CG1 4.17Å; W77-V104 HydrophobicContact CZ2-CG2 4.26Å; M102-V104 HydrophobicContact CE-CG2 4.08Å; M102-V104 HydrophobicContact CG-CG2 4.19Å; V104-Y111 PolarHBondContact N-O 3.15Å; V104-Y111 PolarHBondContact O-N 2.96Å; V104-C113 HydrophobicContact CB-CB 4.22Å; V104-C113 HydrophobicContact CG2-CB 3.69Å; V104-I115 HydrophobicContact CG2-CD1 3.83Å; V104-I125 HydrophobicContact CG2-CG2 4.19Å; V104-F155 HydrophobicContact CG1-CD2 4.47Å; V104-F155 HydrophobicContact CG1-CE2 3.49Å; V104-F155 VanDerWaalsContact CG1-CE2 3.49Å; V104-F155 HydrophobicContact CG1-CZ 3.57Å; V104-F174 HydrophobicContact CG1-CE2 4.07Å
105L98.2Very high98.1Very high50 Ų5019.2 Ų19.226%0.26214%0.14SC..EExtended strand (participates in β ladder)trans-91.4128.6168.2-79164.9000110.2L70 Y73 V109 A110L70-L105 HydrophobicContact CD2-CD1 3.63Å; Y73-L105 HydrophobicContact CD1-CB 4.28Å; Y73-L105 HydrophobicContact CD1-CD1 3.96Å; Y73-L105 HydrophobicContact CD1-CG 3.58Å; Y73-L105 HydrophobicContact CD2-CD1 3.55Å; Y73-L105 HydrophobicContact CD2-CG 4.01Å; Y73-L105 HydrophobicContact CE1-CD1 4.26Å; Y73-L105 HydrophobicContact CE1-CD2 4.21Å; Y73-L105 HydrophobicContact CE1-CG 3.61Å; Y73-L105 HydrophobicContact CE2-CD1 3.92Å; Y73-L105 HydrophobicContact CE2-CD2 4.47Å; Y73-L105 HydrophobicContact CE2-CG 4.08Å; Y73-L105 HydrophobicContact CG-CD1 3.57Å; Y73-L105 HydrophobicContact CG-CG 3.77Å; L105-V109 WeakPolarHBondContact CA-O 3.39Å; L105-A110 HydrophobicContact CD2-CB 4.14Å
106L97.5Very high98.2Very high40 Ų4015.7 Ų15.721%0.20912%0.121CC..EExtended strand (participates in β ladder)trans-130.6117.6171166.865.9000108.5G108 V109 Y111 W146 I153 F155 F174L106-G108 PolarHBondContact O-N 2.88Å; L106-V109 PolarHBondContact N-O 2.87Å; L106-V109 WeakPolarHBondContact O-CB 3.45Å; L106-V109 PolarHBondContact O-N 2.93Å; L106-Y111 HydrophobicContact CB-CD2 4.11Å; L106-Y111 HydrophobicContact CB-CE2 3.87Å; L106-Y111 HydrophobicContact CD2-CE2 4.22Å; L106-Y111 HydrophobicContact CG-CE2 4.44Å; L106-W146 HydrophobicContact CD2-CH2 4.49Å; L106-W146 HydrophobicContact CD2-CZ3 3.97Å; L106-I153 HydrophobicContact CD1-CD1 4.45Å; L106-I153 HydrophobicContact CD2-CD1 3.74Å; L106-F155 HydrophobicContact CB-CD2 4.39Å; L106-F155 HydrophobicContact CB-CE2 4.11Å; L106-F155 HydrophobicContact CD1-CD2 3.96Å; L106-F155 HydrophobicContact CD1-CE2 4.27Å; L106-F174 HydrophobicContact CB-CZ 4.37Å; L106-F174 HydrophobicContact CD2-CD1 3.81Å; L106-F174 HydrophobicContact CD2-CE1 3.5Å; L106-F174 HydrophobicContact CD2-CE2 4.38Å; L106-F174 HydrophobicContact CD2-CG 4.4Å; L106-F174 HydrophobicContact CD2-CZ 3.83Å
107G93.9Very high98.2Very high82 Ų8215.6 Ų15.685%0.84512%0.121SC*.THydrogen-bonded Turntrans58.828.3-18000000114.1V109G107-V109 VanDerWaalsContact C-N 3.3Å
108G94.7Very high98.2Very high71 Ų7116.1 Ų16.173%0.73212%0.124SC*.THydrogen-bonded Turntrans82.20.6-17500000114.9L106L106-G108 PolarHBondContact O-N 2.88Å
109V97.9Very high98.2Very high49 Ų4918.2 Ų18.230%0.29714%0.135SC..EExtended strand (participates in β ladder)trans-99.1130.6176.3-175.20000109.8L105 L106 G107 Y111 T144L105-V109 WeakPolarHBondContact CA-O 3.39Å; L106-V109 PolarHBondContact N-O 2.87Å; L106-V109 WeakPolarHBondContact O-CB 3.45Å; L106-V109 PolarHBondContact O-N 2.93Å; G107-V109 VanDerWaalsContact C-N 3.3Å; V109-Y111 HydrophobicContact CB-CE2 3.69Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE1 4.12Å; V109-Y111 HydrophobicContact CG1-CE2 3.63Å; V109-Y111 VanDerWaalsContact CG1-CZ 3.48Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.22Å; V109-Y111 WeakPolarHBondContact O-CD2 3.26Å; V109-Y111 WeakPolarHBondContact O-CE2 3.49Å; V109-T144 HydrophobicContact CG1-CG2 4.07Å; V109-T144 WeakPolarHBondContact CG1-OG1 3.45Å
110A98.6Very high98.1Very high13 Ų1318.2 Ų18.211%0.10714%0.135CC..EExtended strand (participates in β ladder)trans-86.7130.4179.200000111.5Y73 L105 W142 F143 T144Y73-A110 HydrophobicContact CE1-CB 4.24Å; Y73-A110 WeakPolarHBondContact OH-CB 3.29Å; L105-A110 HydrophobicContact CD2-CB 4.14Å; A110-W142 VanDerWaalsContact CB-O 3.3Å; A110-W142 WeakPolarHBondContact CB-O 3.4Å; A110-F143 HydrophobicContact CB-CD1 4.02Å; A110-F143 WeakPolarHBondContact O-CA 3.48Å; A110-T144 PolarHBondContact O-N 3.23Å
111Y98.8Very high98Very high20 Ų2020.1 Ų20.18%0.07815%0.147CC..EExtended strand (participates in β ladder)trans-125.7141.1176.5-61.6-83.3000110.5P103 V104 L106 V109 C113 P127 T144 W146 F174P103-Y111 CarbonylContact C-O 3.51Å; P103-Y111 WeakPolarHBondContact CA-O 3.31Å; V104-Y111 PolarHBondContact N-O 3.15Å; V104-Y111 PolarHBondContact O-N 2.96Å; L106-Y111 HydrophobicContact CB-CD2 4.11Å; L106-Y111 HydrophobicContact CB-CE2 3.87Å; L106-Y111 HydrophobicContact CD2-CE2 4.22Å; L106-Y111 HydrophobicContact CG-CE2 4.44Å; V109-Y111 HydrophobicContact CB-CE2 3.69Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE1 4.12Å; V109-Y111 HydrophobicContact CG1-CE2 3.63Å; V109-Y111 VanDerWaalsContact CG1-CZ 3.48Å; V109-Y111 WeakPolarHBondContact CG1-OH 3.22Å; V109-Y111 WeakPolarHBondContact O-CD2 3.26Å; V109-Y111 WeakPolarHBondContact O-CE2 3.49Å; Y111-C113 VanDerWaalsContact CB-SG 3.51Å; Y111-P127 HydrophobicContact CD1-CB 4.07Å; Y111-P127 HydrophobicContact CG-CB 4.19Å; Y111-T144 WeakPolarHBondContact CD1-O 3.21Å; Y111-T144 WeakPolarHBondContact CE1-O 3.4Å; Y111-W146 AromaticContact CE1-CE3 3.93Å; Y111-W146 HydrophobicContact CE1-CE3 3.93Å; Y111-F174 AromaticContact CD2-CZ 3.92Å; Y111-F174 HydrophobicContact CD2-CZ 3.92Å; Y111-F174 HydrophobicContact CE2-CZ 4.4Å; Y111-F174 HydrophobicContact CG-CZ 4.13Å
112N98.8Very high98Very high2 Ų220.2 Ų20.21%0.01115%0.147CC..EExtended strand (participates in β ladder)trans-79.7117.2164.5175.6-15.8000108E55 L56 P127 K128 F143E55-N112 PolarHBondContact OE1-ND2 3.22Å; L56-N112 HydrophobicContact CD2-CB 4.27Å; L56-N112 WeakPolarHBondContact CD2-OD1 3.46Å; N112-P127 CarbonylContact O-C 3.27Å; N112-P127 WeakPolarHBondContact O-CA 3.35Å; N112-K128 HydrophobicContact CB-CB 4.18Å; N112-K128 HydrophobicContact CB-CD 4.43Å; N112-K128 WeakPolarHBondContact O-CB 3.49Å; N112-K128 PolarHBondContact O-N 3.29Å; N112-F143 HydrophobicContact CB-CD1 4.34Å; N112-F143 HydrophobicContact CB-CD2 4.14Å; N112-F143 HydrophobicContact CB-CE1 4.5Å; N112-F143 HydrophobicContact CB-CE2 4.3Å; N112-F143 HydrophobicContact CB-CG 4.15Å; N112-F143 HydrophobicContact CB-CZ 4.46Å
113C98.9Very high98Very high0 Ų021.4 Ų21.40%015%0.153CC..EExtended strand (participates in β ladder)trans-128.2156.6-168.1-690000113.4G101 M102 V104 Y111 I115 I125 R126 P127G101-C113 CarbonylContact C-O 3.45Å; G101-C113 WeakPolarHBondContact CA-O 3.1Å; M102-C113 PolarHBondContact N-O 2.9Å; M102-C113 CarbonylContact O-C 3.59Å; M102-C113 WeakPolarHBondContact O-CA 3.46Å; M102-C113 WeakPolarHBondContact O-CB 3.2Å; M102-C113 PolarHBondContact O-N 2.77Å; V104-C113 HydrophobicContact CB-CB 4.22Å; V104-C113 HydrophobicContact CG2-CB 3.69Å; Y111-C113 VanDerWaalsContact CB-SG 3.51Å; C113-I115 HydrophobicContact CB-CD1 4.33Å; C113-I125 HydrophobicContact CB-CG2 3.99Å; C113-R126 CarbonylContact C-O 3.58Å; C113-R126 WeakPolarHBondContact CA-O 3.17Å; C113-P127 VanDerWaalsContact SG-CA 3.57Å
114R98.9Very high98Very high1 Ų121.4 Ų21.40%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-107.3128.9164.1-59.6177.569.3166.16.5109.3V52 D99 I100 L116 I125 R126 E195 T196 L219 S221V52-R114 VanDerWaalsContact CG2-NH2 3.27Å; D99-R114 IonicContact OD1-CZ 3.02Å; D99-R114 IonicContact OD1-NE 2.67Å; D99-R114 PolarHBondContact OD1-NE 3.46Å; D99-R114 IonicContact OD1-NH2 3.85Å; D99-R114 PolarHBondContact OD1-NH2 3.19Å; D99-R114 IonicContact OD2-CZ 2.8Å; D99-R114 IonicContact OD2-NE 3.29Å; D99-R114 PolarHBondContact OD2-NE 3.06Å; D99-R114 IonicContact OD2-NH2 3.92Å; D99-R114 PolarHBondContact OD2-NH2 3.14Å; I100-R114 CarbonylContact O-C 3.6Å; I100-R114 WeakPolarHBondContact O-CA 3.43Å; R114-L116 HydrophobicContact CB-CD1 4.35Å; R114-I125 CarbonylContact O-C 3.56Å; R114-I125 WeakPolarHBondContact O-CA 3.45Å; R114-R126 HydrophobicContact CB-CB 4.34Å; R114-R126 PolarHBondContact N-O 3.02Å; R114-R126 PolarHBondContact O-N 3.37Å; R114-E195 PolarHBondContact NH1-O 3.32Å; R114-T196 WeakPolarHBondContact CD-OG1 3.11Å; R114-L219 PolarHBondContact NH1-O 3.3Å; R114-S221 PolarHBondContact NE-OG 2.83Å; R114-S221 PolarHBondContact NH2-OG 2.84Å
115I98.8Very high98Very high0 Ų021.4 Ų21.40%015%0.153CC..EExtended strand (participates in β ladder)trans-108.1120178.3-45.8-60.6000107.7I80 I100 M102 V104 C113 L117 V122 I125I80-I115 HydrophobicContact CD1-CB 4.45Å; I100-I115 PolarHBondContact N-O 3.33Å; I100-I115 PolarHBondContact O-N 2.74Å; M102-I115 HydrophobicContact CG-CD1 4.06Å; M102-I115 HydrophobicContact CG-CG1 3.55Å; M102-I115 HydrophobicContact SD-CD1 4.29Å; M102-I115 HydrophobicContact SD-CG1 3.74Å; V104-I115 HydrophobicContact CG2-CD1 3.83Å; C113-I115 HydrophobicContact CB-CD1 4.33Å; I115-L117 HydrophobicContact CG2-CD2 3.66Å; I115-L117 HydrophobicContact CG2-CG 4.33Å; I115-V122 HydrophobicContact CG2-CG1 3.96Å; I115-I125 HydrophobicContact CD1-CB 4.09Å; I115-I125 HydrophobicContact CD1-CD1 4.27Å; I115-I125 HydrophobicContact CD1-CG1 3.74Å; I115-I125 HydrophobicContact CD1-CG2 3.59Å
116L98.9Very high98Very high0 Ų019 Ų190%014%0.141CC..EExtended strand (participates in β ladder)trans-103.5119.7-179-70.693.5000110.1Y50 C98 D99 R114 V122 L123 L124 L179 L194Y50-L116 WeakPolarHBondContact OH-CD2 3.35Å; C98-L116 WeakPolarHBondContact O-CA 3.48Å; D99-L116 HydrophobicContact CB-CG 4.35Å; R114-L116 HydrophobicContact CB-CD1 4.35Å; L116-V122 CarbonylContact O-C 3.6Å; L116-L123 HydrophobicContact CB-CB 4.27Å; L116-L123 PolarHBondContact O-N 3.14Å; L116-L124 HydrophobicContact CB-CB 4.43Å; L116-L124 HydrophobicContact CD1-CB 4.13Å; L116-L124 HydrophobicContact CD1-CD2 4.35Å; L116-L124 HydrophobicContact CD1-CG 4.27Å; L116-L124 WeakPolarHBondContact CD1-O 3.36Å; L116-L124 PolarHBondContact N-O 2.77Å; L116-L179 HydrophobicContact CD2-CD1 3.16Å; L116-L179 HydrophobicContact CD2-CD2 4.22Å; L116-L179 HydrophobicContact CD2-CG 4.21Å; L116-L194 HydrophobicContact CD1-CD1 3.49Å; L116-L194 VanDerWaalsContact CD1-CD1 3.49Å; L116-L194 HydrophobicContact CD2-CD1 3.85Å; L116-L194 HydrophobicContact CD2-CD2 4.42Å; L116-L194 HydrophobicContact CG-CD1 4.29Å
117L98.8Very high98.1Very high0 Ų017.1 Ų17.10%013%0.131CC..EExtended strand (participates in β ladder)trans-115.1144.2-177.8-48.1179.1000110.2I80 I83 L84 I87 V97 C98 I100 I115 T121 V122I80-L117 HydrophobicContact CG2-CD1 4.45Å; I83-L117 HydrophobicContact CG2-CD1 4.03Å; L84-L117 HydrophobicContact CD2-CD1 4.19Å; L84-L117 HydrophobicContact CD2-CD2 4.19Å; L84-L117 HydrophobicContact CG-CD1 4.2Å; I87-L117 HydrophobicContact CD1-CB 4.12Å; I87-L117 HydrophobicContact CD1-CD1 4.12Å; V97-L117 CarbonylContact C-O 3.59Å; V97-L117 WeakPolarHBondContact CA-O 3.34Å; C98-L117 HydrophobicContact CB-CB 4.24Å; C98-L117 PolarHBondContact N-O 2.85Å; C98-L117 PolarHBondContact O-N 2.89Å; I100-L117 HydrophobicContact CD1-CD1 3.91Å; I115-L117 HydrophobicContact CG2-CD2 3.66Å; I115-L117 HydrophobicContact CG2-CG 4.33Å; L117-T121 CarbonylContact C-O 3.54Å; L117-T121 VanDerWaalsContact CA-O 3.3Å; L117-T121 WeakPolarHBondContact CA-O 3.31Å; L117-V122 HydrophobicContact CD2-CB 4.22Å; L117-V122 HydrophobicContact CD2-CG1 4.25Å; L117-V122 HydrophobicContact CD2-CG2 3.75Å
118L98.4Very high98.3Very high10 Ų1013.2 Ų13.25%0.0529%0.091CC..EExtended strand (participates in β ladder)trans-153.2126.5168.7176.765.7000109.6V97 G120 T121 L123 V338 F340V97-L118 HydrophobicContact CG2-CD1 4.12Å; V97-L118 HydrophobicContact CG2-CD2 4.34Å; L118-G120 VanDerWaalsContact C-N 3.27Å; L118-G120 PolarHBondContact O-N 3.06Å; L118-T121 PolarHBondContact N-O 3.45Å; L118-T121 WeakPolarHBondContact O-CB 3.39Å; L118-T121 PolarHBondContact O-N 2.87Å; L118-L123 HydrophobicContact CB-CD1 3.68Å; L118-L123 HydrophobicContact CB-CD2 4.25Å; L118-L123 HydrophobicContact CB-CG 4.1Å; L118-L123 HydrophobicContact CD2-CD1 4.32Å; L118-V338 HydrophobicContact CD2-CG1 3.69Å; L118-F340 HydrophobicContact CD1-CD1 4.4Å; L118-F340 HydrophobicContact CD1-CD2 4.42Å; L118-F340 HydrophobicContact CD1-CE1 4.36Å; L118-F340 HydrophobicContact CD1-CE2 4.41Å; L118-F340 HydrophobicContact CD1-CG 4.43Å; L118-F340 HydrophobicContact CD1-CZ 4.39Å; L118-F340 HydrophobicContact CD2-CB 3.62Å; L118-F340 HydrophobicContact CD2-CD1 4Å; L118-F340 HydrophobicContact CD2-CD2 4.18Å; L118-F340 HydrophobicContact CD2-CG 3.68Å
119N97.2Very high98.5Very high45 Ų4510.2 Ų10.224%0.2416%0.058CC..THydrogen-bonded Turntrans48.347.2172.1-65.6-14.6000113.6D95 T121D95-N119 PolarHBondContact N-OD1 2.85Å; D95-N119 PolarHBondContact OD1-ND2 3.02Å; N119-T121 VanDerWaalsContact C-N 3.32Å; N119-T121 PolarHBondContact O-N 3.15Å
120G96.9Very high98.5Very high0 Ų010 Ų100%06%0.056CC..THydrogen-bonded Turntrans80.33179.100000115.4N88 L118 T165 K166N88-G120 VanDerWaalsContact OD1-CA 3.23Å; N88-G120 WeakPolarHBondContact OD1-CA 3.49Å; L118-G120 VanDerWaalsContact C-N 3.27Å; L118-G120 PolarHBondContact O-N 3.06Å; G120-T165 CarbonylContact O-C 3.5Å; G120-T165 WeakPolarHBondContact O-CA 3.39Å; G120-T165 WeakPolarHBondContact O-CB 3.48Å; G120-K166 PolarHBondContact O-N 2.95Å
121T98.3Very high98.4Very high40 Ų4010.2 Ų10.225%0.2456%0.056CC..EExtended strand (participates in β ladder)trans-109.4140.5-178.6-56.40000110.7L117 L118 N119 L123L117-T121 CarbonylContact C-O 3.54Å; L117-T121 VanDerWaalsContact CA-O 3.3Å; L117-T121 WeakPolarHBondContact CA-O 3.31Å; L118-T121 PolarHBondContact N-O 3.45Å; L118-T121 WeakPolarHBondContact O-CB 3.39Å; L118-T121 PolarHBondContact O-N 2.87Å; N119-T121 VanDerWaalsContact C-N 3.32Å; N119-T121 PolarHBondContact O-N 3.15Å; T121-L123 HydrophobicContact CG2-CD2 4.1Å
122V98.7Very high98.3Very high1 Ų19.2 Ų9.21%0.0065%0.052CC..EExtended strand (participates in β ladder)trans-87.6107.5167-173.80000108.2L84 I115 L116 L117 I125 L157 V161 T165 Q169 A172L84-V122 HydrophobicContact CD1-CG2 4.4Å; I115-V122 HydrophobicContact CG2-CG1 3.96Å; L116-V122 CarbonylContact O-C 3.6Å; L117-V122 HydrophobicContact CD2-CB 4.22Å; L117-V122 HydrophobicContact CD2-CG1 4.25Å; L117-V122 HydrophobicContact CD2-CG2 3.75Å; V122-I125 HydrophobicContact CG1-CG1 4.12Å; V122-L157 HydrophobicContact CB-CD1 4.18Å; V122-L157 HydrophobicContact CB-CD2 4.35Å; V122-L157 HydrophobicContact CG1-CD2 4.29Å; V122-L157 HydrophobicContact CG2-CD1 3.99Å; V122-L157 HydrophobicContact CG2-CD2 4.14Å; V122-V161 HydrophobicContact CG2-CG1 4.17Å; V122-T165 HydrophobicContact CG2-CG2 4.13Å; V122-Q169 PolarHBondContact O-NE2 2.97Å; V122-A172 HydrophobicContact CB-CB 4.04Å; V122-A172 HydrophobicContact CG1-CB 3.77Å
123L98.5Very high98.1Very high25 Ų2512.9 Ų12.913%0.1317%0.071CC..EExtended strand (participates in β ladder)trans-77.4-48.2-175-56.1177.1000112.1L116 L118 T121 V338L116-L123 HydrophobicContact CB-CB 4.27Å; L116-L123 PolarHBondContact O-N 3.14Å; L118-L123 HydrophobicContact CB-CD1 3.68Å; L118-L123 HydrophobicContact CB-CD2 4.25Å; L118-L123 HydrophobicContact CB-CG 4.1Å; L118-L123 HydrophobicContact CD2-CD1 4.32Å; T121-L123 HydrophobicContact CG2-CD2 4.1Å; L123-V338 HydrophobicContact CD1-CG1 4.02Å; L123-V338 HydrophobicContact CD1-CG2 4.12Å; L123-V338 HydrophobicContact CD2-CG1 4.21Å
124L98.8Very high97.6Very high0 Ų020.3 Ų20.30%011%0.106CC..EExtended strand (participates in β ladder)trans-154.7141.3-173.1174.163.7000109.9L116 R126 A173 A177 L179 L194 V336L116-L124 HydrophobicContact CB-CB 4.43Å; L116-L124 HydrophobicContact CD1-CB 4.13Å; L116-L124 HydrophobicContact CD1-CD2 4.35Å; L116-L124 HydrophobicContact CD1-CG 4.27Å; L116-L124 WeakPolarHBondContact CD1-O 3.36Å; L116-L124 PolarHBondContact N-O 2.77Å; L124-R126 HydrophobicContact CD2-CB 4.25Å; L124-R126 HydrophobicContact CG-CB 4.29Å; L124-A173 CarbonylContact C-O 3.57Å; L124-A173 WeakPolarHBondContact CA-O 3.48Å; L124-A173 HydrophobicContact CD1-CB 4.1Å; L124-A177 HydrophobicContact CD1-CB 4.31Å; L124-A177 HydrophobicContact CD2-CB 4.27Å; L124-L179 HydrophobicContact CB-CD2 4.26Å; L124-L179 HydrophobicContact CD2-CD2 4.19Å; L124-L194 HydrophobicContact CD2-CD1 4.07Å; L124-V336 HydrophobicContact CD1-CG2 4.33Å
125I98.9Very high97.1Very high0 Ų023.9 Ų23.90%014%0.143CC..EExtended strand (participates in β ladder)trans-111.1104.5165.1-57.5175.2000107W77 V104 C113 R114 I115 V122 P127 F155 L157 A172 A173 F174 G175W77-I125 HydrophobicContact CH2-CD1 3.95Å; V104-I125 HydrophobicContact CG2-CG2 4.19Å; C113-I125 HydrophobicContact CB-CG2 3.99Å; R114-I125 CarbonylContact O-C 3.56Å; R114-I125 WeakPolarHBondContact O-CA 3.45Å; I115-I125 HydrophobicContact CD1-CB 4.09Å; I115-I125 HydrophobicContact CD1-CD1 4.27Å; I115-I125 HydrophobicContact CD1-CG1 3.74Å; I115-I125 HydrophobicContact CD1-CG2 3.59Å; V122-I125 HydrophobicContact CG1-CG1 4.12Å; I125-P127 VanDerWaalsContact O-CD 3.23Å; I125-P127 WeakPolarHBondContact O-CD 3.44Å; I125-F155 HydrophobicContact CD1-CB 4.38Å; I125-F155 HydrophobicContact CD1-CD1 3.52Å; I125-F155 HydrophobicContact CD1-CE1 3.89Å; I125-F155 HydrophobicContact CD1-CG 3.89Å; I125-L157 HydrophobicContact CD1-CD2 4.3Å; I125-A172 HydrophobicContact CD1-CB 4.44Å; I125-A173 PolarHBondContact N-O 2.78Å; I125-F174 HydrophobicContact CB-CB 4.37Å; I125-F174 HydrophobicContact CB-CD2 3.65Å; I125-F174 HydrophobicContact CB-CE2 4.34Å; I125-F174 HydrophobicContact CB-CG 4.34Å; I125-F174 HydrophobicContact CD1-CD2 4.41Å; I125-F174 HydrophobicContact CG2-CD2 3.29Å; I125-F174 HydrophobicContact CG2-CE2 3.48Å; I125-F174 VanDerWaalsContact CG2-CE2 3.48Å; I125-F174 HydrophobicContact CG2-CG 4.32Å; I125-F174 VanDerWaalsContact O-CA 3.27Å; I125-F174 WeakPolarHBondContact O-CA 3.19Å; I125-G175 PolarHBondContact O-N 3.22Å
126R98.8Very high96.6Very high0 Ų029.5 Ų29.50%017%0.173CC..EExtended strand (participates in β ladder)trans-98104.6-178.6174.955.6169.154.88.7110C113 R114 L124 L129 G175 D176 L194 E199C113-R126 CarbonylContact C-O 3.58Å; C113-R126 WeakPolarHBondContact CA-O 3.17Å; R114-R126 HydrophobicContact CB-CB 4.34Å; R114-R126 PolarHBondContact N-O 3.02Å; R114-R126 PolarHBondContact O-N 3.37Å; L124-R126 HydrophobicContact CD2-CB 4.25Å; L124-R126 HydrophobicContact CG-CB 4.29Å; R126-L129 VanDerWaalsContact NH2-CG 3.26Å; R126-G175 WeakPolarHBondContact CD-O 3.37Å; R126-D176 IonicContact CZ-OD1 2.69Å; R126-D176 VanDerWaalsContact CZ-OD1 3.25Å; R126-D176 IonicContact NE-OD1 2.96Å; R126-D176 PolarHBondContact NE-OD1 3.36Å; R126-D176 IonicContact NH2-OD1 3.25Å; R126-D176 PolarHBondContact NH2-OD1 3.2Å; R126-L194 HydrophobicContact CB-CD1 4.01Å; R126-L194 HydrophobicContact CG-CB 4.3Å; R126-L194 HydrophobicContact CG-CD1 4.25Å; R126-E199 IonicContact CZ-OE1 2.74Å; R126-E199 IonicContact NH1-OE1 2.67Å; R126-E199 PolarHBondContact NH1-OE1 2.94Å; R126-E199 IonicContact NH1-OE2 3.35Å; R126-E199 IonicContact NH2-OE1 3.46Å; R126-E199 IonicContact NH2-OE2 3.42Å
127P98.8Very high96.4Very high0 Ų030.4 Ų30.40%018%0.177CC..EExtended strand (participates in β ladder)trans-73.8146.5172.333.4-39000111.2Y111 N112 C113 I125 W146 F174Y111-P127 HydrophobicContact CD1-CB 4.07Å; Y111-P127 HydrophobicContact CG-CB 4.19Å; N112-P127 CarbonylContact O-C 3.27Å; N112-P127 WeakPolarHBondContact O-CA 3.35Å; C113-P127 VanDerWaalsContact SG-CA 3.57Å; I125-P127 VanDerWaalsContact O-CD 3.23Å; I125-P127 WeakPolarHBondContact O-CD 3.44Å; P127-W146 HydrophobicContact CB-CB 3.85Å; P127-W146 HydrophobicContact CB-CG 4.33Å; P127-W146 HydrophobicContact CG-CB 3.48Å; P127-W146 VanDerWaalsContact CG-CB 3.48Å; P127-W146 HydrophobicContact CG-CD2 3.72Å; P127-W146 HydrophobicContact CG-CE3 4.12Å; P127-W146 HydrophobicContact CG-CG 3.45Å; P127-W146 VanDerWaalsContact CG-CG 3.45Å; P127-F174 HydrophobicContact CB-CE1 4.08Å; P127-F174 HydrophobicContact CB-CZ 3.84Å; P127-F174 HydrophobicContact CG-CD1 4.27Å; P127-F174 HydrophobicContact CG-CE1 3.59Å; P127-F174 HydrophobicContact CG-CZ 3.86Å
128K98.6Very high96.2Very high1 Ų138 Ų380%0.00421%0.206CC..  trans-62.8134.9174.7-169.8170.5-169-1710110.8E55 N112 V130 L131 E139 W146 T196E55-K128 WeakPolarHBondContact OE1-CE 3.46Å; E55-K128 IonicContact OE1-NZ 2.8Å; E55-K128 PolarHBondContact OE1-NZ 3.47Å; E55-K128 IonicContact OE2-NZ 2.78Å; N112-K128 HydrophobicContact CB-CB 4.18Å; N112-K128 HydrophobicContact CB-CD 4.43Å; N112-K128 WeakPolarHBondContact O-CB 3.49Å; N112-K128 PolarHBondContact O-N 3.29Å; K128-V130 WeakPolarHBondContact CE-O 3.34Å; K128-V130 VanDerWaalsContact CG-O 3.31Å; K128-V130 WeakPolarHBondContact CG-O 3.47Å; K128-L131 HydrophobicContact CB-CD2 4.41Å; K128-L131 HydrophobicContact CD-CD2 4.12Å; K128-L131 HydrophobicContact CG-CD2 4.27Å; K128-E139 IonicContact NZ-OE1 3.55Å; K128-E139 PolarHBondContact NZ-OE1 3.06Å; K128-E139 IonicContact NZ-OE2 3.88Å; K128-E139 PolarHBondContact NZ-OE2 2.91Å; K128-W146 PolarHBondContact O-N 2.98Å; K128-T196 HydrophobicContact CD-CG2 3.77Å; K128-T196 WeakPolarHBondContact CE-O 3.46Å; K128-T196 HydrophobicContact CG-CG2 4.15Å
129L98Very high96.2Very high7 Ų737.6 Ų37.64%0.03720%0.203CC..SBendtrans-88.9-34.7-178.3-56.4-173.7000112.3R126 P145 W146 D176 E199 P206R126-L129 VanDerWaalsContact NH2-CG 3.26Å; L129-P145 WeakPolarHBondContact O-CB 3.23Å; L129-W146 HydrophobicContact CD2-CB 3.9Å; L129-W146 HydrophobicContact CD2-CG 4.2Å; L129-D176 HydrophobicContact CD2-CB 4.15Å; L129-E199 WeakPolarHBondContact CB-OE1 3.36Å; L129-E199 PolarHBondContact N-OE1 2.85Å; L129-P206 HydrophobicContact CD1-CB 4.44Å; L129-P206 HydrophobicContact CD1-CG 4.05Å
130V97.6Very high96.2Very high44 Ų4438.9 Ų38.927%0.26722%0.216SC..SBendtrans-126.5119.9-176.5-175.30000108.5K128 E198 E199 T202K128-V130 WeakPolarHBondContact CE-O 3.34Å; K128-V130 VanDerWaalsContact CG-O 3.31Å; K128-V130 WeakPolarHBondContact CG-O 3.47Å; V130-E198 HydrophobicContact CG1-CG 4.38Å; V130-E199 HydrophobicContact CB-CG 4.09Å; V130-E199 HydrophobicContact CG2-CG 4.33Å; V130-T202 HydrophobicContact CB-CG2 4.21Å; V130-T202 HydrophobicContact CG1-CG2 3.7Å; V130-T202 HydrophobicContact CG2-CG2 4.11Å
131L97.8Very high96.2Very high18 Ų1845.4 Ų45.49%0.09424%0.241CC..  trans-87.7149179-61.5-171.3000111.3K128 E139 F143 P145K128-L131 HydrophobicContact CB-CD2 4.41Å; K128-L131 HydrophobicContact CD-CD2 4.12Å; K128-L131 HydrophobicContact CG-CD2 4.27Å; L131-E139 VanDerWaalsContact CA-OE2 3.3Å; L131-E139 WeakPolarHBondContact CA-OE2 3.36Å; L131-E139 HydrophobicContact CB-CB 3.86Å; L131-E139 HydrophobicContact CD1-CB 4.28Å; L131-E139 HydrophobicContact CD2-CB 4.31Å; L131-E139 HydrophobicContact CG-CB 4.37Å; L131-F143 HydrophobicContact CD1-CB 4Å; L131-F143 VanDerWaalsContact CD1-O 3.23Å; L131-F143 WeakPolarHBondContact CD1-O 3.22Å; L131-F143 HydrophobicContact CD2-CB 4.25Å; L131-P145 HydrophobicContact CG-CB 4.14Å
132A96.3Very high96.2Very high0 Ų044.8 Ų44.80%023%0.234CC..  trans-87.9119.217300000110.8H137 R138 E139 E198A132-H137 HydrophobicContact CB-CB 3.58Å; A132-H137 CarbonylContact O-C 3.58Å; A132-H137 VanDerWaalsContact O-CB 3.3Å; A132-H137 WeakPolarHBondContact O-CB 3.33Å; A132-R138 PolarHBondContact O-N 3.35Å; A132-E139 HydrophobicContact CB-CG 4.38Å; A132-E139 PolarHBondContact N-OE2 2.83Å; A132-E139 WeakPolarHBondContact O-CB 3.21Å; A132-E139 PolarHBondContact O-N 2.67Å; A132-E198 HydrophobicContact CB-CB 4.05Å; A132-E198 HydrophobicContact CB-CG 4.06Å
133D94.5Very high96.2Very high78 Ų7845 Ų4542%0.41724%0.235SC..  trans-13115.6178.8-72.8-56.9000113.1H137 R138 E139 S140D133-H137 CarbonylContact C-O 3.57Å; D133-H137 WeakPolarHBondContact CA-O 3.38Å; D133-R138 WeakPolarHBondContact OD1-CA 3.37Å; D133-E139 PolarHBondContact OD1-N 3.11Å; D133-E139 VanDerWaalsContact OD1-N 3.1Å; D133-S140 WeakPolarHBondContact OD1-CB 3.27Å; D133-S140 PolarHBondContact OD1-N 3.2Å; D133-S140 PolarHBondContact OD1-OG 3.2Å; D133-S140 WeakPolarHBondContact OD2-CB 3.23Å; D133-S140 PolarHBondContact OD2-OG 3.44Å; D133-S140 VanDerWaalsContact OD2-OG 3.08Å
134E88.5Confident96.2Very high156 Ų15647 Ų4773%0.72925%0.248SC*.SBendtrans-102.4146.9176.8-66.2-168.6178.800112.7L136 H137E134-L136 PolarHBondContact O-N 2.83Å; E134-H137 WeakPolarHBondContact O-CB 3.44Å; E134-H137 PolarHBondContact O-CD2 2.79Å; E134-H137 PolarHBondContact O-N 2.93Å
135G87.5Confident96.2Very high76 Ų7649.7 Ų49.778%0.78427%0.265SS*.THydrogen-bonded Turntrans64-115.6175.300000113.1H137G135-H137 VanDerWaalsContact C-N 3.33Å
136L89.8Confident96.1Very high118 Ų11850.1 Ų50.162%0.61827%0.267SS*.THydrogen-bonded Turntrans-79.2-16.1176.6-67.5178.1000113E134E134-L136 PolarHBondContact O-N 2.83Å
137H93.1Very high95.9Very high20 Ų2054.1 Ų54.19%0.09329%0.293CS..  trans-84.6142.4-174.8-57.3-76000111.6Y61 A132 D133 E134 G135 H225Y61-H137 AromaticContact CE1-ND1 3.86Å; Y61-H137 AromaticContact CZ-ND1 3.66Å; Y61-H137 PolarHBondContact OH-ND1 2.74Å; A132-H137 HydrophobicContact CB-CB 3.58Å; A132-H137 CarbonylContact O-C 3.58Å; A132-H137 VanDerWaalsContact O-CB 3.3Å; A132-H137 WeakPolarHBondContact O-CB 3.33Å; D133-H137 CarbonylContact C-O 3.57Å; D133-H137 WeakPolarHBondContact CA-O 3.38Å; E134-H137 WeakPolarHBondContact O-CB 3.44Å; E134-H137 PolarHBondContact O-CD2 2.79Å; E134-H137 PolarHBondContact O-N 2.93Å; G135-H137 VanDerWaalsContact C-N 3.33Å; H137-H225 AromaticContact CD2-CE1 3.79Å; H137-H225 AromaticContact CE1-CE1 3.99Å; H137-H225 AromaticContact CE1-ND1 3.45Å; H137-H225 PolarHBondContact CE1-ND1 2.91Å; H137-H225 AromaticContact NE2-CE1 3.17Å; H137-H225 PolarHBondContact NE2-CE1 3.42Å; H137-H225 AromaticContact NE2-ND1 3.03Å; H137-H225 PolarHBondContact NE2-ND1 3.02Å
138R95.3Very high95.5Very high160 Ų16057.8 Ų57.860%0.60431%0.31SS*.  trans-146.838.8178.6-59.3-171.9-171.9-86.2-2.5111.3A132 D133 S140 R141 W142A132-R138 PolarHBondContact O-N 3.35Å; D133-R138 WeakPolarHBondContact OD1-CA 3.37Å; R138-S140 PolarHBondContact O-N 2.8Å; R138-S140 VanDerWaalsContact O-N 3.16Å; R138-R141 HydrophobicContact CB-CB 4.43Å; R138-R141 WeakPolarHBondContact O-CB 3.41Å; R138-R141 PolarHBondContact O-N 2.92Å; R138-W142 HydrophobicContact CB-CH2 4.25Å
139E97.8Very high95.2Very high0 Ų063 Ų630%033%0.334CS..G310 helixtrans-57.3-32.9-171-74.1179.4-174.300113.3Y61 K128 L131 A132 D133 R141 W142 F143Y61-E139 WeakPolarHBondContact CE2-OE1 3.49Å; Y61-E139 WeakPolarHBondContact OH-CG 3.24Å; Y61-E139 PolarHBondContact OH-OE1 2.82Å; K128-E139 IonicContact NZ-OE1 3.55Å; K128-E139 PolarHBondContact NZ-OE1 3.06Å; K128-E139 IonicContact NZ-OE2 3.88Å; K128-E139 PolarHBondContact NZ-OE2 2.91Å; L131-E139 VanDerWaalsContact CA-OE2 3.3Å; L131-E139 WeakPolarHBondContact CA-OE2 3.36Å; L131-E139 HydrophobicContact CB-CB 3.86Å; L131-E139 HydrophobicContact CD1-CB 4.28Å; L131-E139 HydrophobicContact CD2-CB 4.31Å; L131-E139 HydrophobicContact CG-CB 4.37Å; A132-E139 HydrophobicContact CB-CG 4.38Å; A132-E139 PolarHBondContact N-OE2 2.83Å; A132-E139 WeakPolarHBondContact O-CB 3.21Å; A132-E139 PolarHBondContact O-N 2.67Å; D133-E139 PolarHBondContact OD1-N 3.11Å; D133-E139 VanDerWaalsContact OD1-N 3.1Å; E139-R141 PolarHBondContact O-N 2.96Å; E139-R141 VanDerWaalsContact O-N 3.13Å; E139-W142 PolarHBondContact O-N 3.22Å; E139-F143 PolarHBondContact O-N 3.09Å
140S97.6Very high95Very high73 Ų7364.8 Ų64.851%0.5134%0.342SS..G310 helixtrans-62.4-1717660.80000114.2D133 R138 W142D133-S140 WeakPolarHBondContact OD1-CB 3.27Å; D133-S140 PolarHBondContact OD1-N 3.2Å; D133-S140 PolarHBondContact OD1-OG 3.2Å; D133-S140 WeakPolarHBondContact OD2-CB 3.23Å; D133-S140 PolarHBondContact OD2-OG 3.44Å; D133-S140 VanDerWaalsContact OD2-OG 3.08Å; R138-S140 PolarHBondContact O-N 2.8Å; R138-S140 VanDerWaalsContact O-N 3.16Å; S140-W142 VanDerWaalsContact C-N 3.26Å; S140-W142 PolarHBondContact O-N 3.03Å
141R97.9Very high94.8Very high136 Ų13669 Ų6951%0.51335%0.353SS..G310 helixtrans-64-34.5171.9-176.2174.1171.374.42.4111.4D65 H68 R138 E139D65-R141 IonicContact OD1-CZ 3.52Å; D65-R141 IonicContact OD1-NE 3.13Å; D65-R141 PolarHBondContact OD1-NE 2.96Å; D65-R141 IonicContact OD1-NH2 3.46Å; D65-R141 PolarHBondContact OD1-NH2 3.39Å; D65-R141 IonicContact OD2-CZ 3.51Å; D65-R141 IonicContact OD2-NE 3.96Å; D65-R141 IonicContact OD2-NH2 3.2Å; D65-R141 PolarHBondContact OD2-NH2 3.08Å; H68-R141 PolarHBondContact CE1-O 2.84Å; R138-R141 HydrophobicContact CB-CB 4.43Å; R138-R141 WeakPolarHBondContact O-CB 3.41Å; R138-R141 PolarHBondContact O-N 2.92Å; E139-R141 PolarHBondContact O-N 2.96Å; E139-R141 VanDerWaalsContact O-N 3.13Å
142W97.5Very high94.7Very high28 Ų2871.1 Ų71.111%0.10636%0.364CS..THydrogen-bonded Turntrans-117.4-28.6-169.9-42.8-61.6000113.7E64 D65 F67 H68 A110 R138 E139 S140E64-W142 VanDerWaalsContact C-CE2 3.49Å; E64-W142 VanDerWaalsContact C-NE1 3.26Å; E64-W142 VanDerWaalsContact CA-CZ2 3.44Å; E64-W142 HydrophobicContact CB-CH2 4.25Å; E64-W142 HydrophobicContact CB-CZ2 3.67Å; E64-W142 HydrophobicContact CG-CH2 4.12Å; E64-W142 HydrophobicContact CG-CZ2 3.97Å; E64-W142 PolarHBondContact O-NE1 3.17Å; D65-W142 PolarHBondContact OD1-NE1 2.54Å; F67-W142 HydrophobicContact CB-CB 3.73Å; F67-W142 HydrophobicContact CB-CG 4.16Å; F67-W142 HydrophobicContact CD2-CB 4.15Å; F67-W142 HydrophobicContact CD2-CD2 4.17Å; F67-W142 HydrophobicContact CD2-CE3 4.16Å; F67-W142 HydrophobicContact CD2-CG 4.16Å; F67-W142 HydrophobicContact CG-CB 4.37Å; H68-W142 AromaticContact NE2-CD1 3.55Å; A110-W142 VanDerWaalsContact CB-O 3.3Å; A110-W142 WeakPolarHBondContact CB-O 3.4Å; R138-W142 HydrophobicContact CB-CH2 4.25Å; E139-W142 PolarHBondContact O-N 3.22Å; S140-W142 VanDerWaalsContact C-N 3.26Å; S140-W142 PolarHBondContact O-N 3.03Å
143F98.6Very high94.7Very high6 Ų673.8 Ų73.83%0.02638%0.378CS..  trans-121.8158.2-174.5-58.7-64000111.7L56 F67 P103 A110 N112 L131 E139L56-F143 HydrophobicContact CD1-CE2 3.95Å; L56-F143 HydrophobicContact CD1-CZ 4.04Å; L56-F143 HydrophobicContact CD2-CZ 4.46Å; F67-F143 HydrophobicContact CB-CE1 4.49Å; F67-F143 HydrophobicContact CB-CZ 4.22Å; F67-F143 HydrophobicContact CD1-CE1 4.21Å; F67-F143 AromaticContact CD1-CZ 3.62Å; F67-F143 HydrophobicContact CD1-CZ 3.62Å; F67-F143 AromaticContact CD2-CE2 3.74Å; F67-F143 HydrophobicContact CD2-CE2 3.74Å; F67-F143 AromaticContact CD2-CZ 3.6Å; F67-F143 HydrophobicContact CD2-CZ 3.6Å; F67-F143 AromaticContact CE1-CZ 3.78Å; F67-F143 HydrophobicContact CE1-CZ 3.78Å; F67-F143 AromaticContact CE2-CE2 3.8Å; F67-F143 HydrophobicContact CE2-CE2 3.8Å; F67-F143 AromaticContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CE2-CZ 3.75Å; F67-F143 HydrophobicContact CG-CE1 4.21Å; F67-F143 HydrophobicContact CG-CE2 4.15Å; F67-F143 AromaticContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CG-CZ 3.54Å; F67-F143 HydrophobicContact CZ-CE2 4.26Å; F67-F143 AromaticContact CZ-CZ 3.85Å; F67-F143 HydrophobicContact CZ-CZ 3.85Å; P103-F143 HydrophobicContact CB-CE1 3.79Å; P103-F143 HydrophobicContact CB-CZ 4.13Å; A110-F143 HydrophobicContact CB-CD1 4.02Å; A110-F143 WeakPolarHBondContact O-CA 3.48Å; N112-F143 HydrophobicContact CB-CD1 4.34Å; N112-F143 HydrophobicContact CB-CD2 4.14Å; N112-F143 HydrophobicContact CB-CE1 4.5Å; N112-F143 HydrophobicContact CB-CE2 4.3Å; N112-F143 HydrophobicContact CB-CG 4.15Å; N112-F143 HydrophobicContact CB-CZ 4.46Å; L131-F143 HydrophobicContact CD1-CB 4Å; L131-F143 VanDerWaalsContact CD1-O 3.23Å; L131-F143 WeakPolarHBondContact CD1-O 3.22Å; L131-F143 HydrophobicContact CD2-CB 4.25Å; E139-F143 PolarHBondContact O-N 3.09Å
144T98.6Very high94.9Very high67 Ų6776.3 Ų76.341%0.41139%0.391SS..  trans-110.3135.7168.8-59.80000108.9V109 A110 Y111V109-T144 HydrophobicContact CG1-CG2 4.07Å; V109-T144 WeakPolarHBondContact CG1-OG1 3.45Å; A110-T144 PolarHBondContact O-N 3.23Å; Y111-T144 WeakPolarHBondContact CD1-O 3.21Å; Y111-T144 WeakPolarHBondContact CE1-O 3.4Å
145P98.1Very high95.4Very high55 Ų5569.5 Ų69.536%0.35736%0.359SS..  trans-64144.4172.226.3-32.6000110L129 L131 P147L129-P145 WeakPolarHBondContact O-CB 3.23Å; L131-P145 HydrophobicContact CG-CB 4.14Å; P145-P147 VanDerWaalsContact O-CD 3.26Å; P145-P147 WeakPolarHBondContact O-CD 3.42Å
146W97.9Very high95.9Very high9 Ų973.1 Ų73.13%0.03436%0.356CS..  trans-67.2116.2173178.4-111.1000110.9L106 Y111 P127 K128 L129 H148 I153 F174L106-W146 HydrophobicContact CD2-CH2 4.49Å; L106-W146 HydrophobicContact CD2-CZ3 3.97Å; Y111-W146 AromaticContact CE1-CE3 3.93Å; Y111-W146 HydrophobicContact CE1-CE3 3.93Å; P127-W146 HydrophobicContact CB-CB 3.85Å; P127-W146 HydrophobicContact CB-CG 4.33Å; P127-W146 HydrophobicContact CG-CB 3.48Å; P127-W146 VanDerWaalsContact CG-CB 3.48Å; P127-W146 HydrophobicContact CG-CD2 3.72Å; P127-W146 HydrophobicContact CG-CE3 4.12Å; P127-W146 HydrophobicContact CG-CG 3.45Å; P127-W146 VanDerWaalsContact CG-CG 3.45Å; K128-W146 PolarHBondContact O-N 2.98Å; L129-W146 HydrophobicContact CD2-CB 3.9Å; L129-W146 HydrophobicContact CD2-CG 4.2Å; W146-H148 VanDerWaalsContact C-N 3.29Å; W146-H148 VanDerWaalsContact CD1-O 3.26Å; W146-H148 AromaticContact CH2-CD2 3.98Å; W146-H148 HydrophobicContact CZ2-CB 3.94Å; W146-H148 AromaticContact CZ2-CD2 3.9Å; W146-H148 PolarHBondContact NE1-O 2.73Å; W146-H148 PolarHBondContact O-N 2.91Å; W146-I153 HydrophobicContact CH2-CD1 3.92Å; W146-I153 HydrophobicContact CH2-CG1 4.08Å; W146-F174 HydrophobicContact CD2-CE1 4.24Å; W146-F174 HydrophobicContact CE3-CD1 4.38Å; W146-F174 AromaticContact CE3-CE1 3.62Å; W146-F174 HydrophobicContact CE3-CE1 3.62Å; W146-F174 AromaticContact CH2-CD1 3.96Å; W146-F174 HydrophobicContact CH2-CD1 3.96Å; W146-F174 AromaticContact CH2-CE1 3.96Å; W146-F174 HydrophobicContact CH2-CE1 3.96Å; W146-F174 HydrophobicContact CZ2-CD1 4.4Å; W146-F174 AromaticContact CZ3-CD1 3.96Å; W146-F174 HydrophobicContact CZ3-CD1 3.96Å; W146-F174 AromaticContact CZ3-CE1 3.47Å; W146-F174 HydrophobicContact CZ3-CE1 3.47Å; W146-F174 VanDerWaalsContact CZ3-CE1 3.47Å
147P93.5Very high96.3Very high84 Ų8467.6 Ų67.655%0.54533%0.327SS..  trans-81.7-9.1-169.133.1-36.1000113.3P145P145-P147 VanDerWaalsContact O-CD 3.26Å; P145-P147 WeakPolarHBondContact O-CD 3.42Å
148H91.9Very high96.5Very high78 Ų7868.5 Ų68.536%0.36134%0.335SS..  trans-110.378.3-172-55-54.1000111.5W146 R151W146-H148 VanDerWaalsContact C-N 3.29Å; W146-H148 VanDerWaalsContact CD1-O 3.26Å; W146-H148 AromaticContact CH2-CD2 3.98Å; W146-H148 HydrophobicContact CZ2-CB 3.94Å; W146-H148 AromaticContact CZ2-CD2 3.9Å; W146-H148 PolarHBondContact NE1-O 2.73Å; W146-H148 PolarHBondContact O-N 2.91Å; H148-R151 HydrophobicContact CB-CB 3.83Å; H148-R151 HydrophobicContact CB-CG 4.36Å; H148-R151 PolarHBondContact O-N 2.81Å
149H92Very high96.6Very high109 Ų10966.1 Ų66.151%0.50533%0.33SS..THydrogen-bonded Turntrans-56.2142.5174.3-66.1-159000110.2R151H149-R151 PolarHBondContact O-N 2.95Å
150Q93Very high96.6Very high45 Ų4569.6 Ų69.621%0.2135%0.348CS..THydrogen-bonded Turntrans53.337.9178.9-53.717716.600113.4D176 S331 Y333 P334Q150-D176 PolarHBondContact N-OD2 2.95Å; Q150-S331 PolarHBondContact OE1-O 3.42Å; Q150-S331 PolarHBondContact OE1-OG 3.19Å; Q150-Y333 HydrophobicContact CB-CD1 4.37Å; Q150-Y333 HydrophobicContact CG-CD1 3.84Å; Q150-Y333 HydrophobicContact CG-CD2 3.87Å; Q150-Y333 HydrophobicContact CG-CE1 3.7Å; Q150-Y333 HydrophobicContact CG-CE2 3.73Å; Q150-Y333 HydrophobicContact CG-CG 3.93Å; Q150-P334 VanDerWaalsContact C-CD 3.42Å; Q150-P334 VanDerWaalsContact O-CD 3.23Å; Q150-P334 WeakPolarHBondContact O-CD 3.38Å
151R93.8Very high96.7Very high133 Ų13366.1 Ų66.150%0.50232%0.324SS..  trans-138142.1177.6-170.9177.5-179.5-177.40.7110.7H148 H149 G175 D176H148-R151 HydrophobicContact CB-CB 3.83Å; H148-R151 HydrophobicContact CB-CG 4.36Å; H148-R151 PolarHBondContact O-N 2.81Å; H149-R151 PolarHBondContact O-N 2.95Å; R151-G175 CarbonylContact O-C 3.5Å; R151-G175 WeakPolarHBondContact O-CA 3.25Å; R151-D176 PolarHBondContact N-O 3.27Å; R151-D176 PolarHBondContact O-N 3.27Å
152I95.8Very high96.7Very high63 Ų6364 Ų6432%0.32332%0.316SS..EExtended strand (participates in β ladder)trans-118.8155.1169.258.5174.2000111.1F174 A177 P334I152-F174 CarbonylContact C-O 3.57Å; I152-F174 VanDerWaalsContact CA-O 3.22Å; I152-F174 WeakPolarHBondContact CA-O 3.2Å; I152-A177 HydrophobicContact CG2-CB 3.64Å; I152-P334 HydrophobicContact CD1-CB 4.18Å; I152-P334 HydrophobicContact CG1-CB 4.05Å; I152-P334 HydrophobicContact CG1-CG 4.45Å; I152-P334 HydrophobicContact CG2-CB 4.32Å; I152-P334 HydrophobicContact CG2-CG 3.99Å
153I97.1Very high96.7Very high55 Ų5569.6 Ų69.628%0.28234%0.341SS..EExtended strand (participates in β ladder)trans-131.8171.6167.762.6165.7000108.9L106 W146 F174L106-I153 HydrophobicContact CD1-CD1 4.45Å; L106-I153 HydrophobicContact CD2-CD1 3.74Å; W146-I153 HydrophobicContact CH2-CD1 3.92Å; W146-I153 HydrophobicContact CH2-CG1 4.08Å; I153-F174 HydrophobicContact CD1-CD1 4.43Å; I153-F174 HydrophobicContact CG1-CB 4.2Å; I153-F174 HydrophobicContact CG1-CD1 4.21Å; I153-F174 PolarHBondContact N-O 3.46Å; I153-F174 PolarHBondContact O-N 3.37Å
154D97.9Very high96.6Very high131 Ų13170.3 Ų70.370%0.70135%0.346SS*.EExtended strand (participates in β ladder)trans-81.1134.2170.4-75.5-7.2000110.2V171D154-V171 HydrophobicContact CB-CG1 3.49Å; D154-V171 VanDerWaalsContact CB-CG1 3.49Å
155F98.4Very high96.6Very high13 Ų1367.5 Ų67.56%0.05733%0.329CS..EExtended strand (participates in β ladder)trans-116.4122.6173.2-179.9-81000110.2W77 V104 L106 I125 L157 V171 A172 F174W77-F155 HydrophobicContact CH2-CE1 4.01Å; W77-F155 AromaticContact CZ2-CE1 3.65Å; W77-F155 HydrophobicContact CZ2-CE1 3.65Å; W77-F155 AromaticContact CZ2-CZ 3.79Å; W77-F155 HydrophobicContact CZ2-CZ 3.79Å; V104-F155 HydrophobicContact CG1-CD2 4.47Å; V104-F155 HydrophobicContact CG1-CE2 3.49Å; V104-F155 VanDerWaalsContact CG1-CE2 3.49Å; V104-F155 HydrophobicContact CG1-CZ 3.57Å; L106-F155 HydrophobicContact CB-CD2 4.39Å; L106-F155 HydrophobicContact CB-CE2 4.11Å; L106-F155 HydrophobicContact CD1-CD2 3.96Å; L106-F155 HydrophobicContact CD1-CE2 4.27Å; I125-F155 HydrophobicContact CD1-CB 4.38Å; I125-F155 HydrophobicContact CD1-CD1 3.52Å; I125-F155 HydrophobicContact CD1-CE1 3.89Å; I125-F155 HydrophobicContact CD1-CG 3.89Å; F155-L157 HydrophobicContact CD1-CD2 4.23Å; F155-L157 HydrophobicContact CE1-CD2 4.42Å; F155-L157 PolarHBondContact O-N 2.91Å; F155-V171 CarbonylContact O-C 3.57Å; F155-V171 VanDerWaalsContact O-CA 3.27Å; F155-V171 WeakPolarHBondContact O-CA 3.48Å; F155-A172 PolarHBondContact N-O 3.17Å; F155-A172 PolarHBondContact O-N 3.16Å; F155-F174 HydrophobicContact CB-CB 3.56Å; F155-F174 HydrophobicContact CB-CD2 4.17Å; F155-F174 HydrophobicContact CB-CG 4.22Å; F155-F174 HydrophobicContact CD2-CB 4.43Å; F155-F174 AromaticContact CD2-CD2 3.52Å; F155-F174 HydrophobicContact CD2-CD2 3.52Å; F155-F174 HydrophobicContact CD2-CE2 4.06Å; F155-F174 HydrophobicContact CD2-CG 4.17Å; F155-F174 HydrophobicContact CE2-CD2 4.22Å; F155-F174 HydrophobicContact CE2-CE2 4.35Å; F155-F174 HydrophobicContact CG-CB 4.35Å; F155-F174 HydrophobicContact CG-CD2 4.04Å
156E98.2Very high96.4Very high153 Ų15370.4 Ų70.472%0.71534%0.335SS*.EExtended strand (participates in β ladder)trans-72.8116.7176.1-64.8-172.7-178.800110.6
157L98.5Very high96.3Very high2 Ų277.1 Ų77.11%0.0137%0.372CS..PPolyproline II helixtrans-70.2139178.4-68.2172.6000110.4W77 V122 I125 F155 V161 R162 T165 Q169 S170 A172W77-L157 HydrophobicContact CH2-CD2 4.09Å; W77-L157 HydrophobicContact CZ3-CD2 4.34Å; V122-L157 HydrophobicContact CB-CD1 4.18Å; V122-L157 HydrophobicContact CB-CD2 4.35Å; V122-L157 HydrophobicContact CG1-CD2 4.29Å; V122-L157 HydrophobicContact CG2-CD1 3.99Å; V122-L157 HydrophobicContact CG2-CD2 4.14Å; I125-L157 HydrophobicContact CD1-CD2 4.3Å; F155-L157 HydrophobicContact CD1-CD2 4.23Å; F155-L157 HydrophobicContact CE1-CD2 4.42Å; F155-L157 PolarHBondContact O-N 2.91Å; L157-V161 HydrophobicContact CB-CG1 4.38Å; L157-V161 HydrophobicContact CD1-CG1 4.25Å; L157-V161 HydrophobicContact CD2-CG1 4.32Å; L157-R162 HydrophobicContact CB-CG 3.9Å; L157-R162 VanDerWaalsContact O-CD 3.3Å; L157-R162 WeakPolarHBondContact O-CD 3.48Å; L157-R162 WeakPolarHBondContact O-CG 3.2Å; L157-T165 HydrophobicContact CD1-CG2 4.47Å; L157-Q169 HydrophobicContact CD1-CB 4.39Å; L157-Q169 HydrophobicContact CD1-CG 3.94Å; L157-S170 PolarHBondContact N-O 2.72Å; L157-A172 HydrophobicContact CD1-CB 4.28Å; L157-A172 HydrophobicContact CD2-CB 4.07Å; L157-A172 HydrophobicContact CG-CB 4.23Å
158P97.7Very high96.4Very high39 Ų3977.1 Ų77.125%0.25337%0.374SS..PPolyproline II helixtrans-65.3152.5178.226.9-33.6000111.1W77 I160 V161 R162W77-P158 HydrophobicContact CB-CG 4.2Å; W77-P158 HydrophobicContact CD2-CG 3.51Å; W77-P158 HydrophobicContact CE3-CG 3.87Å; W77-P158 HydrophobicContact CG-CG 3.69Å; W77-P158 HydrophobicContact CZ2-CG 4.33Å; W77-P158 HydrophobicContact CZ3-CG 4.38Å; P158-I160 HydrophobicContact CB-CG2 4.48Å; P158-I160 HydrophobicContact CG-CG2 4.45Å; P158-I160 PolarHBondContact O-N 2.79Å; P158-I160 VanDerWaalsContact O-N 3.11Å; P158-V161 HydrophobicContact CG-CB 4.23Å; P158-V161 HydrophobicContact CG-CG2 3.97Å; P158-V161 PolarHBondContact O-N 2.84Å; P158-R162 PolarHBondContact O-N 2.66Å
159E97.4Very high96.7Very high109 Ų10975 Ų7551%0.50937%0.365SS..Hα-helixtrans-53.1-39.8-173.5-170.4-171154.400113.5V161 R162 K163E159-V161 PolarHBondContact O-N 2.89Å; E159-R162 PolarHBondContact O-N 2.99Å; E159-K163 HydrophobicContact CG-CD 4.47Å; E159-K163 WeakPolarHBondContact O-CG 3.36Å; E159-K163 PolarHBondContact O-N 3.37Å; E159-K163 VanDerWaalsContact O-N 3.09Å; E159-K163 WeakPolarHBondContact OE1-CE 3.05Å; E159-K163 IonicContact OE1-NZ 2.66Å; E159-K163 PolarHBondContact OE1-NZ 3.19Å
160I98Very high96.9Very high73 Ų7372.9 Ų72.937%0.37436%0.362SS..Hα-helixtrans-60.4-33.8179.3-165.1170.7000112.8W77 Q78 A81 P158W77-I160 HydrophobicContact CB-CG2 4.26Å; Q78-I160 HydrophobicContact CB-CD1 4.21Å; Q78-I160 HydrophobicContact CG-CD1 3.54Å; A81-I160 HydrophobicContact CB-CD1 4.36Å; A81-I160 HydrophobicContact CB-CG1 3.86Å; P158-I160 HydrophobicContact CB-CG2 4.48Å; P158-I160 HydrophobicContact CG-CG2 4.45Å; P158-I160 PolarHBondContact O-N 2.79Å; P158-I160 VanDerWaalsContact O-N 3.11Å
161V98.4Very high97.2Very high0 Ų073.2 Ų73.20%037%0.367CS..Hα-helixtrans-80.8-43.7176.2172.90000110.4W77 I80 A81 L84 V122 L157 P158 E159 K163 V164 T165W77-V161 HydrophobicContact CD2-CG2 4.38Å; W77-V161 HydrophobicContact CE3-CG2 3.49Å; W77-V161 VanDerWaalsContact CE3-CG2 3.49Å; W77-V161 HydrophobicContact CZ3-CG2 3.94Å; I80-V161 HydrophobicContact CG2-CG2 4.23Å; A81-V161 HydrophobicContact CB-CG2 4.41Å; L84-V161 HydrophobicContact CD1-CG1 3.77Å; V122-V161 HydrophobicContact CG2-CG1 4.17Å; L157-V161 HydrophobicContact CB-CG1 4.38Å; L157-V161 HydrophobicContact CD1-CG1 4.25Å; L157-V161 HydrophobicContact CD2-CG1 4.32Å; P158-V161 HydrophobicContact CG-CB 4.23Å; P158-V161 HydrophobicContact CG-CG2 3.97Å; P158-V161 PolarHBondContact O-N 2.84Å; E159-V161 PolarHBondContact O-N 2.89Å; V161-K163 PolarHBondContact O-N 3.16Å; V161-K163 VanDerWaalsContact O-N 3.11Å; V161-V164 WeakPolarHBondContact O-CG2 3.47Å; V161-V164 PolarHBondContact O-N 3.23Å; V161-T165 HydrophobicContact CG1-CG2 3.61Å; V161-T165 WeakPolarHBondContact O-CG2 3.25Å; V161-T165 PolarHBondContact O-N 2.87Å; V161-T165 PolarHBondContact O-OG1 2.82Å
162R98.1Very high97.4Very high91 Ų9167.1 Ų67.134%0.34335%0.345SS..Hα-helixtrans-56.6-30.4178.5-61.2-166.5-62.8-147.3-0.1113.3L157 P158 E159 V164 T165 S168 Q169L157-R162 HydrophobicContact CB-CG 3.9Å; L157-R162 VanDerWaalsContact O-CD 3.3Å; L157-R162 WeakPolarHBondContact O-CD 3.48Å; L157-R162 WeakPolarHBondContact O-CG 3.2Å; P158-R162 PolarHBondContact O-N 2.66Å; E159-R162 PolarHBondContact O-N 2.99Å; R162-V164 VanDerWaalsContact C-N 3.28Å; R162-V164 PolarHBondContact O-N 2.86Å; R162-T165 PolarHBondContact O-OG1 2.91Å; R162-S168 VanDerWaalsContact O-CA 3.32Å; R162-S168 WeakPolarHBondContact O-CA 3.47Å; R162-Q169 WeakPolarHBondContact CG-O 3.39Å
163K97.4Very high97.5Very high146 Ų14665 Ų6564%0.63534%0.337SS*.THydrogen-bonded Turntrans-68.9-23.9178-77.6174.9178.8168.20114E159 V161E159-K163 HydrophobicContact CG-CD 4.47Å; E159-K163 WeakPolarHBondContact O-CG 3.36Å; E159-K163 PolarHBondContact O-N 3.37Å; E159-K163 VanDerWaalsContact O-N 3.09Å; E159-K163 WeakPolarHBondContact OE1-CE 3.05Å; E159-K163 IonicContact OE1-NZ 2.66Å; E159-K163 PolarHBondContact OE1-NZ 3.19Å; V161-K163 PolarHBondContact O-N 3.16Å; V161-K163 VanDerWaalsContact O-N 3.11Å
164V97.7Very high97.6Very high22 Ų2262.4 Ų62.413%0.13332%0.323CS..THydrogen-bonded Turntrans-115.9-13.4-172.3-58.10000112.9A81 L84 N85 N88 V161 R162A81-V164 HydrophobicContact CB-CG2 4.02Å; L84-V164 HydrophobicContact CB-CG2 3.84Å; L84-V164 HydrophobicContact CD1-CG2 4.02Å; N85-V164 VanDerWaalsContact OD1-CB 3.22Å; N85-V164 WeakPolarHBondContact OD1-CB 3.36Å; N85-V164 WeakPolarHBondContact OD1-CG1 3.37Å; N88-V164 PolarHBondContact ND2-O 2.76Å; V161-V164 WeakPolarHBondContact O-CG2 3.47Å; V161-V164 PolarHBondContact O-N 3.23Å; R162-V164 VanDerWaalsContact C-N 3.28Å; R162-V164 PolarHBondContact O-N 2.86Å
165T97.9Very high97.6Very high8 Ų856.1 Ų56.15%0.04929%0.29CS..SBendtrans-70.4151.4175480000111.9L84 G120 V122 L157 V161 R162 N167 S168 Q169L84-T165 HydrophobicContact CD1-CG2 3.8Å; G120-T165 CarbonylContact O-C 3.5Å; G120-T165 WeakPolarHBondContact O-CA 3.39Å; G120-T165 WeakPolarHBondContact O-CB 3.48Å; V122-T165 HydrophobicContact CG2-CG2 4.13Å; L157-T165 HydrophobicContact CD1-CG2 4.47Å; V161-T165 HydrophobicContact CG1-CG2 3.61Å; V161-T165 WeakPolarHBondContact O-CG2 3.25Å; V161-T165 PolarHBondContact O-N 2.87Å; V161-T165 PolarHBondContact O-OG1 2.82Å; R162-T165 PolarHBondContact O-OG1 2.91Å; T165-N167 PolarHBondContact O-N 2.97Å; T165-S168 PolarHBondContact O-N 2.9Å; T165-S168 VanDerWaalsContact O-N 3.11Å; T165-Q169 HydrophobicContact CG2-CB 4.39Å; T165-Q169 PolarHBondContact OG1-N 2.93Å; T165-Q169 VanDerWaalsContact OG1-N 3.09Å; T165-Q169 PolarHBondContact OG1-O 3.17Å
166K94.4Very high97.6Very high115 Ų11555.5 Ų55.550%0.529%0.287SS..G310 helixtrans-57.4132.8173.6-173.1175.2-178.3176.80109.8G120 S168 Q169G120-K166 PolarHBondContact O-N 2.95Å; K166-S168 PolarHBondContact O-N 3.29Å; K166-S168 VanDerWaalsContact O-N 3.14Å; K166-Q169 PolarHBondContact O-N 3.1Å
167N94.8Very high97.5Very high150 Ų15048.3 Ų48.380%0.80225%0.253SS*.G310 helixtrans54.426.4-177.8-55.9-29.7000114.2T165 Q169T165-N167 PolarHBondContact O-N 2.97Å; N167-Q169 VanDerWaalsContact C-N 3.27Å; N167-Q169 PolarHBondContact O-N 3Å
168S95.8Very high97.5Very high84 Ų8448.3 Ų48.359%0.58725%0.253SS*.G310 helixtrans53.642.9-179.3-51.30000113.4R162 T165 K166 S170R162-S168 VanDerWaalsContact O-CA 3.32Å; R162-S168 WeakPolarHBondContact O-CA 3.47Å; T165-S168 PolarHBondContact O-N 2.9Å; T165-S168 VanDerWaalsContact O-N 3.11Å; K166-S168 PolarHBondContact O-N 3.29Å; K166-S168 VanDerWaalsContact O-N 3.14Å; S168-S170 PolarHBondContact O-N 2.71Å; S168-S170 VanDerWaalsContact O-N 3.13Å
169Q97.9Very high97.5Very high35 Ų3546.4 Ų46.416%0.16424%0.241CC..  trans-44.9120.1-179.7-177.7-172.11.600111.1V122 L157 R162 T165 K166 N167 V171V122-Q169 PolarHBondContact O-NE2 2.97Å; L157-Q169 HydrophobicContact CD1-CB 4.39Å; L157-Q169 HydrophobicContact CD1-CG 3.94Å; R162-Q169 WeakPolarHBondContact CG-O 3.39Å; T165-Q169 HydrophobicContact CG2-CB 4.39Å; T165-Q169 PolarHBondContact OG1-N 2.93Å; T165-Q169 VanDerWaalsContact OG1-N 3.09Å; T165-Q169 PolarHBondContact OG1-O 3.17Å; K166-Q169 PolarHBondContact O-N 3.1Å; N167-Q169 VanDerWaalsContact C-N 3.27Å; N167-Q169 PolarHBondContact O-N 3Å; Q169-V171 VanDerWaalsContact CG-O 3.28Å; Q169-V171 WeakPolarHBondContact CG-O 3.47Å; Q169-V171 PolarHBondContact NE2-O 2.65Å
170S97.5Very high97.5Very high64 Ų6444.6 Ų44.645%0.44823%0.23SC..  trans-92.7-27.7-17755.30000114L157 S168L157-S170 PolarHBondContact N-O 2.72Å; S168-S170 PolarHBondContact O-N 2.71Å; S168-S170 VanDerWaalsContact O-N 3.13Å
171V98Very high97.4Very high52 Ų5241.2 Ų41.232%0.31521%0.212SC..EExtended strand (participates in β ladder)trans-133.8143-173.5177.20000110D154 F155 Q169D154-V171 HydrophobicContact CB-CG1 3.49Å; D154-V171 VanDerWaalsContact CB-CG1 3.49Å; F155-V171 CarbonylContact O-C 3.57Å; F155-V171 VanDerWaalsContact O-CA 3.27Å; F155-V171 WeakPolarHBondContact O-CA 3.48Å; Q169-V171 VanDerWaalsContact CG-O 3.28Å; Q169-V171 WeakPolarHBondContact CG-O 3.47Å; Q169-V171 PolarHBondContact NE2-O 2.65Å
172A98.3Very high97Very high4 Ų443.4 Ų43.43%0.03323%0.228CC..EExtended strand (participates in β ladder)trans-124.8157.6169.200000110.8V122 I125 F155 L157V122-A172 HydrophobicContact CB-CB 4.04Å; V122-A172 HydrophobicContact CG1-CB 3.77Å; I125-A172 HydrophobicContact CD1-CB 4.44Å; F155-A172 PolarHBondContact N-O 3.17Å; F155-A172 PolarHBondContact O-N 3.16Å; L157-A172 HydrophobicContact CD1-CB 4.28Å; L157-A172 HydrophobicContact CD2-CB 4.07Å; L157-A172 HydrophobicContact CG-CB 4.23Å
173A98.4Very high95.9Very high19 Ų1939.6 Ų39.616%0.15722%0.217CC..EExtended strand (participates in β ladder)trans-68.2136.1171.700000110.1L124 I125 V336L124-A173 CarbonylContact C-O 3.57Å; L124-A173 WeakPolarHBondContact CA-O 3.48Å; L124-A173 HydrophobicContact CD1-CB 4.1Å; I125-A173 PolarHBondContact N-O 2.78Å; A173-V336 HydrophobicContact CB-CG2 4.04Å
174F98.6Very high94.3Very high0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-129.6129176.1-178.1-73.2000110.6V104 L106 Y111 I125 P127 W146 I152 I153 F155V104-F174 HydrophobicContact CG1-CE2 4.07Å; L106-F174 HydrophobicContact CB-CZ 4.37Å; L106-F174 HydrophobicContact CD2-CD1 3.81Å; L106-F174 HydrophobicContact CD2-CE1 3.5Å; L106-F174 HydrophobicContact CD2-CE2 4.38Å; L106-F174 HydrophobicContact CD2-CG 4.4Å; L106-F174 HydrophobicContact CD2-CZ 3.83Å; Y111-F174 AromaticContact CD2-CZ 3.92Å; Y111-F174 HydrophobicContact CD2-CZ 3.92Å; Y111-F174 HydrophobicContact CE2-CZ 4.4Å; Y111-F174 HydrophobicContact CG-CZ 4.13Å; I125-F174 HydrophobicContact CB-CB 4.37Å; I125-F174 HydrophobicContact CB-CD2 3.65Å; I125-F174 HydrophobicContact CB-CE2 4.34Å; I125-F174 HydrophobicContact CB-CG 4.34Å; I125-F174 HydrophobicContact CD1-CD2 4.41Å; I125-F174 HydrophobicContact CG2-CD2 3.29Å; I125-F174 HydrophobicContact CG2-CE2 3.48Å; I125-F174 VanDerWaalsContact CG2-CE2 3.48Å; I125-F174 HydrophobicContact CG2-CG 4.32Å; I125-F174 VanDerWaalsContact O-CA 3.27Å; I125-F174 WeakPolarHBondContact O-CA 3.19Å; P127-F174 HydrophobicContact CB-CE1 4.08Å; P127-F174 HydrophobicContact CB-CZ 3.84Å; P127-F174 HydrophobicContact CG-CD1 4.27Å; P127-F174 HydrophobicContact CG-CE1 3.59Å; P127-F174 HydrophobicContact CG-CZ 3.86Å; W146-F174 HydrophobicContact CD2-CE1 4.24Å; W146-F174 HydrophobicContact CE3-CD1 4.38Å; W146-F174 AromaticContact CE3-CE1 3.62Å; W146-F174 HydrophobicContact CE3-CE1 3.62Å; W146-F174 AromaticContact CH2-CD1 3.96Å; W146-F174 HydrophobicContact CH2-CD1 3.96Å; W146-F174 AromaticContact CH2-CE1 3.96Å; W146-F174 HydrophobicContact CH2-CE1 3.96Å; W146-F174 HydrophobicContact CZ2-CD1 4.4Å; W146-F174 AromaticContact CZ3-CD1 3.96Å; W146-F174 HydrophobicContact CZ3-CD1 3.96Å; W146-F174 AromaticContact CZ3-CE1 3.47Å; W146-F174 HydrophobicContact CZ3-CE1 3.47Å; W146-F174 VanDerWaalsContact CZ3-CE1 3.47Å; I152-F174 CarbonylContact C-O 3.57Å; I152-F174 VanDerWaalsContact CA-O 3.22Å; I152-F174 WeakPolarHBondContact CA-O 3.2Å; I153-F174 HydrophobicContact CD1-CD1 4.43Å; I153-F174 HydrophobicContact CG1-CB 4.2Å; I153-F174 HydrophobicContact CG1-CD1 4.21Å; I153-F174 PolarHBondContact N-O 3.46Å; I153-F174 PolarHBondContact O-N 3.37Å; F155-F174 HydrophobicContact CB-CB 3.56Å; F155-F174 HydrophobicContact CB-CD2 4.17Å; F155-F174 HydrophobicContact CB-CG 4.22Å; F155-F174 HydrophobicContact CD2-CB 4.43Å; F155-F174 AromaticContact CD2-CD2 3.52Å; F155-F174 HydrophobicContact CD2-CD2 3.52Å; F155-F174 HydrophobicContact CD2-CE2 4.06Å; F155-F174 HydrophobicContact CD2-CG 4.17Å; F155-F174 HydrophobicContact CE2-CD2 4.22Å; F155-F174 HydrophobicContact CE2-CE2 4.35Å; F155-F174 HydrophobicContact CG-CB 4.35Å; F155-F174 HydrophobicContact CG-CD2 4.04Å
175G98.2Very high92.5Very high0 Ų041.8 Ų41.80%025%0.253CS..EExtended strand (participates in β ladder)trans132-157.7177.900000112.9I125 R126 R151I125-G175 PolarHBondContact O-N 3.22Å; R126-G175 WeakPolarHBondContact CD-O 3.37Å; R151-G175 CarbonylContact O-C 3.5Å; R151-G175 WeakPolarHBondContact O-CA 3.25Å
176D97.8Very high90.4Very high0 Ų051 Ų510%029%0.288CS..SBendtrans-98.9100.4-170.2-175.934.2000112.3R126 L129 Q150 R151 Y333 P334R126-D176 IonicContact CZ-OD1 2.69Å; R126-D176 VanDerWaalsContact CZ-OD1 3.25Å; R126-D176 IonicContact NE-OD1 2.96Å; R126-D176 PolarHBondContact NE-OD1 3.36Å; R126-D176 IonicContact NH2-OD1 3.25Å; R126-D176 PolarHBondContact NH2-OD1 3.2Å; L129-D176 HydrophobicContact CD2-CB 4.15Å; Q150-D176 PolarHBondContact N-OD2 2.95Å; R151-D176 PolarHBondContact N-O 3.27Å; R151-D176 PolarHBondContact O-N 3.27Å; D176-Y333 WeakPolarHBondContact OD2-CE1 3.34Å; D176-P334 WeakPolarHBondContact O-CD 3.37Å; D176-P334 WeakPolarHBondContact O-CG 3.46Å
177A97.4Very high88.8Confident1 Ų146.4 Ų46.41%0.00827%0.271CS..  trans-139.7158.9-173.400000113.9L124 I152 P334 V336L124-A177 HydrophobicContact CD1-CB 4.31Å; L124-A177 HydrophobicContact CD2-CB 4.27Å; I152-A177 HydrophobicContact CG2-CB 3.64Å; A177-P334 WeakPolarHBondContact CA-O 3.45Å; A177-P334 HydrophobicContact CB-CB 4.43Å; A177-P334 HydrophobicContact CB-CG 4.02Å; A177-P334 WeakPolarHBondContact CB-O 3.49Å; A177-V336 HydrophobicContact CB-CG2 4.02Å
178I97.4Very high87.7Confident2 Ų242.7 Ų42.71%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-92139.1169.1-64.4168.3000109.1Q191 A213 V215 Y333 P334 V335 V336I178-Q191 HydrophobicContact CG2-CB 4.08Å; I178-Q191 HydrophobicContact CG2-CG 4.47Å; I178-A213 HydrophobicContact CD1-CB 3.65Å; I178-V215 HydrophobicContact CB-CG2 4.31Å; I178-V215 HydrophobicContact CD1-CG2 3.5Å; I178-V215 VanDerWaalsContact CD1-CG2 3.5Å; I178-V215 HydrophobicContact CG1-CG2 3.59Å; I178-V215 HydrophobicContact CG2-CG2 3.76Å; I178-Y333 VanDerWaalsContact CD1-CB 3.41Å; I178-Y333 HydrophobicContact CD1-CD1 4.19Å; I178-Y333 HydrophobicContact CD1-CD2 4.29Å; I178-Y333 HydrophobicContact CD1-CG 3.73Å; I178-Y333 HydrophobicContact CG1-CD1 3.96Å; I178-Y333 HydrophobicContact CG1-CG 4.05Å; I178-P334 PolarHBondContact N-O 2.66Å; I178-V335 HydrophobicContact CB-CG2 4.5Å; I178-V335 CarbonylContact O-C 3.27Å; I178-V335 WeakPolarHBondContact O-CA 2.7Å; I178-V336 PolarHBondContact O-N 2.96Å
179L98Very high87.4Confident0 Ų042.5 Ų42.50%024%0.238CC..EExtended strand (participates in β ladder)trans-88.5129.9167.5-58.2158.1000109Y50 L116 L124 F181 Q191 I192 L194 V336 V338Y50-L179 HydrophobicContact CE2-CD1 4.34Å; L116-L179 HydrophobicContact CD2-CD1 3.16Å; L116-L179 HydrophobicContact CD2-CD2 4.22Å; L116-L179 HydrophobicContact CD2-CG 4.21Å; L124-L179 HydrophobicContact CB-CD2 4.26Å; L124-L179 HydrophobicContact CD2-CD2 4.19Å; L179-F181 HydrophobicContact CB-CD2 4.22Å; L179-F181 HydrophobicContact CB-CE2 3.5Å; L179-F181 HydrophobicContact CB-CZ 4Å; L179-F181 HydrophobicContact CD1-CE2 4.01Å; L179-F181 HydrophobicContact CD1-CZ 4.02Å; L179-F181 HydrophobicContact CG-CE2 4.36Å; L179-F181 HydrophobicContact CG-CZ 4.49Å; L179-Q191 CarbonylContact O-C 3.46Å; L179-Q191 VanDerWaalsContact O-CA 3.31Å; L179-Q191 WeakPolarHBondContact O-CA 3.38Å; L179-I192 HydrophobicContact CB-CB 4.39Å; L179-I192 HydrophobicContact CD1-CB 4.42Å; L179-I192 PolarHBondContact N-O 3.48Å; L179-I192 PolarHBondContact O-N 3.31Å; L179-L194 HydrophobicContact CD1-CD1 4.46Å; L179-L194 HydrophobicContact CD1-CD2 4.49Å; L179-V336 WeakPolarHBondContact CA-O 3.46Å; L179-V336 HydrophobicContact CD2-CB 4.18Å; L179-V336 HydrophobicContact CD2-CG1 4.26Å; L179-V338 HydrophobicContact CD2-CG2 4.19Å
180R96.6Very high87.2Confident70 Ų7040.8 Ų40.826%0.26423%0.231SC..EExtended strand (participates in β ladder)trans-115.1106.8171-178.6-177.5-62.9173.8-1.8109.5H189 Q191 V335 V336 V338R180-H189 HydrophobicContact CG-CB 4.22Å; R180-Q191 HydrophobicContact CB-CG 4.32Å; R180-Q191 HydrophobicContact CG-CG 4.16Å; R180-V335 HydrophobicContact CB-CG1 3.46Å; R180-V335 VanDerWaalsContact CB-CG1 3.46Å; R180-V336 PolarHBondContact N-O 2.96Å; R180-V338 PolarHBondContact O-N 3.32Å
181F95.7Very high87.1Confident2 Ų238.5 Ų38.51%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-83.3122.4174.3-64-84.9000109Y50 V97 L179 H189 V190 I192 V338 F340 L342Y50-F181 HydrophobicContact CD2-CE2 4.48Å; Y50-F181 HydrophobicContact CD2-CZ 4.24Å; Y50-F181 HydrophobicContact CE2-CE2 4.17Å; Y50-F181 AromaticContact CE2-CZ 3.94Å; Y50-F181 HydrophobicContact CE2-CZ 3.94Å; V97-F181 HydrophobicContact CG1-CZ 4.45Å; V97-F181 HydrophobicContact CG2-CE1 3.52Å; V97-F181 HydrophobicContact CG2-CZ 3.86Å; L179-F181 HydrophobicContact CB-CD2 4.22Å; L179-F181 HydrophobicContact CB-CE2 3.5Å; L179-F181 HydrophobicContact CB-CZ 4Å; L179-F181 HydrophobicContact CD1-CE2 4.01Å; L179-F181 HydrophobicContact CD1-CZ 4.02Å; L179-F181 HydrophobicContact CG-CE2 4.36Å; L179-F181 HydrophobicContact CG-CZ 4.49Å; F181-H189 CarbonylContact O-C 3.43Å; F181-H189 WeakPolarHBondContact O-CA 3.29Å; F181-H189 WeakPolarHBondContact O-CB 3.22Å; F181-V190 HydrophobicContact CB-CB 4.35Å; F181-V190 PolarHBondContact N-O 2.94Å; F181-V190 PolarHBondContact O-N 2.94Å; F181-I192 HydrophobicContact CD2-CG1 3.94Å; F181-I192 HydrophobicContact CE2-CB 4.16Å; F181-I192 HydrophobicContact CE2-CG1 3.69Å; F181-V338 WeakPolarHBondContact CA-O 3.43Å; F181-V338 HydrophobicContact CD1-CB 3.71Å; F181-V338 HydrophobicContact CD1-CG1 3.75Å; F181-V338 HydrophobicContact CD1-CG2 4.32Å; F181-V338 HydrophobicContact CE1-CB 3.83Å; F181-V338 HydrophobicContact CE1-CG1 3.66Å; F181-V338 HydrophobicContact CE1-CG2 4.03Å; F181-V338 HydrophobicContact CG-CB 4.41Å; F181-V338 HydrophobicContact CZ-CG2 4.37Å; F181-F340 WeakPolarHBondContact CB-O 3.27Å; F181-F340 HydrophobicContact CD1-CB 4.27Å; F181-F340 HydrophobicContact CD1-CD1 4.09Å; F181-F340 HydrophobicContact CE1-CD1 4.42Å; F181-L342 HydrophobicContact CB-CB 4.02Å; F181-L342 HydrophobicContact CD1-CD1 4.24Å; F181-L342 HydrophobicContact CD2-CD2 4.12Å; F181-L342 HydrophobicContact CE1-CD1 4.39Å; F181-L342 HydrophobicContact CE2-CD2 4.48Å; F181-L342 HydrophobicContact CG-CB 4.21Å; F181-L342 HydrophobicContact CG-CD1 4.4Å; F181-L342 HydrophobicContact CG-CD2 4.38Å
182S90Very high87.1Confident47 Ų4736 Ų3633%0.32920%0.198SC..EExtended strand (participates in β ladder)trans-127.2128.6173.749.30000108.6V338 F340S182-V338 PolarHBondContact N-O 3.2Å; S182-F340 CarbonylContact C-O 3.58Å; S182-F340 PolarHBondContact N-O 3.49Å; S182-F340 CarbonylContact O-C 3.5Å; S182-F340 PolarHBondContact O-N 3.45Å
183G75.2Confident87.1Confident11 Ų1135.8 Ų35.811%0.11320%0.196CC..  trans-91-170.8168.100000112.7G185 S187G183-G185 VanDerWaalsContact C-N 3.31Å; G183-G185 PolarHBondContact O-N 3.2Å; G183-S187 WeakPolarHBondContact CA-OG 3.03Å; G183-S187 PolarHBondContact N-OG 2.6Å
184N65.3Low87.1Confident136 Ų13635 Ų3573%0.72719%0.189SC*.SBendtrans-74.776.1-167.5-38.821.4000110.5Y186N184-Y186 WeakPolarHBondContact O-CD2 3.45Å; N184-Y186 PolarHBondContact O-N 2.68Å
185G58.4Low87.1Confident78 Ų7835 Ų3580%0.80419%0.189SC*.SBendtrans71-22.9166.300000117.9G183G183-G185 VanDerWaalsContact C-N 3.31Å; G183-G185 PolarHBondContact O-N 3.2Å
186Y55.3Low87.1Confident200 Ų20035 Ų3578%0.78419%0.189SC*.SBendtrans-110.3-26.4-175.3-60.2-76.3000113.7V11 N184V11-Y186 WeakPolarHBondContact CG1-O 3.4Å; V11-Y186 WeakPolarHBondContact CG2-O 3.42Å; N184-Y186 WeakPolarHBondContact O-CD2 3.45Å; N184-Y186 PolarHBondContact O-N 2.68Å
187S60.1Low87.1Confident19 Ų1935.1 Ų35.113%0.13319%0.19CC..SBendtrans-81.1137.8-179.257.50000112.9G183 H189 N341G183-S187 WeakPolarHBondContact CA-OG 3.03Å; G183-S187 PolarHBondContact N-OG 2.6Å; S187-H189 PolarHBondContact O-N 3.29Å; S187-N341 WeakPolarHBondContact CB-ND2 3.45Å; S187-N341 WeakPolarHBondContact CB-OD1 3.25Å
188E71.2Confident87.1Confident72 Ų7237.2 Ų37.234%0.33620%0.199SC..PPolyproline II helixtrans-55.6138.9168.3-65.6-153.8163.200110.5L298 N299 R302E188-L298 HydrophobicContact CB-CD1 4.49Å; E188-N299 PolarHBondContact OE1-OD1 2.83Å; E188-N299 PolarHBondContact OE2-OD1 3.02Å; E188-R302 IonicContact OE2-CZ 3.29Å; E188-R302 IonicContact OE2-NH1 2.71Å; E188-R302 PolarHBondContact OE2-NH1 3.31Å
189H89.1Confident87.1Confident80 Ų8037.1 Ų37.137%0.3720%0.199SC..PPolyproline II helixtrans-69.5146.1172.761.174.1000110R180 F181 S187 R302R180-H189 HydrophobicContact CG-CB 4.22Å; F181-H189 CarbonylContact O-C 3.43Å; F181-H189 WeakPolarHBondContact O-CA 3.29Å; F181-H189 WeakPolarHBondContact O-CB 3.22Å; S187-H189 PolarHBondContact O-N 3.29Å; H189-R302 PolarHBondContact ND1-NH2 3.44Å; H189-R302 PolarHBondContact O-NH2 2.97Å
190V94.4Very high87.1Confident0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-113.3128.5171.8-170.80000109F15 F181 I192 D216 L298 L342F15-V190 HydrophobicContact CD1-CG1 4.36Å; F15-V190 HydrophobicContact CE1-CG1 4.23Å; F15-V190 HydrophobicContact CZ-CG1 4.35Å; F181-V190 HydrophobicContact CB-CB 4.35Å; F181-V190 PolarHBondContact N-O 2.94Å; F181-V190 PolarHBondContact O-N 2.94Å; V190-I192 HydrophobicContact CG1-CD1 3.79Å; V190-I192 HydrophobicContact CG1-CG1 4.31Å; V190-D216 HydrophobicContact CG1-CB 4.45Å; V190-L298 HydrophobicContact CG1-CD2 4.11Å; V190-L298 HydrophobicContact CG2-CD1 3.55Å; V190-L298 HydrophobicContact CG2-CD2 4.32Å; V190-L342 HydrophobicContact CB-CB 4.29Å; V190-L342 HydrophobicContact CB-CD2 4.14Å; V190-L342 HydrophobicContact CG1-CD2 3.95Å; V190-L342 HydrophobicContact CG2-CB 4.04Å
191Q95.8Very high87Confident15 Ų1535.8 Ų35.87%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-104.8123175.4-67.6-170.9-114.800110.7I178 L179 R180 D216 A217I178-Q191 HydrophobicContact CG2-CB 4.08Å; I178-Q191 HydrophobicContact CG2-CG 4.47Å; L179-Q191 CarbonylContact O-C 3.46Å; L179-Q191 VanDerWaalsContact O-CA 3.31Å; L179-Q191 WeakPolarHBondContact O-CA 3.38Å; R180-Q191 HydrophobicContact CB-CG 4.32Å; R180-Q191 HydrophobicContact CG-CG 4.16Å; Q191-D216 PolarHBondContact N-OD2 3.09Å; Q191-D216 PolarHBondContact O-N 3.12Å; Q191-A217 PolarHBondContact O-N 3.04Å
192I97.9Very high87Confident0 Ų037.6 Ų37.60%021%0.206CC..EExtended strand (participates in β ladder)trans-115.4128.5180-53.8-63.4000109.6F15 Y50 L179 F181 V190 L194 A217 L219 L342F15-I192 HydrophobicContact CE2-CD1 4.27Å; Y50-I192 HydrophobicContact CE2-CG2 4.38Å; L179-I192 HydrophobicContact CB-CB 4.39Å; L179-I192 HydrophobicContact CD1-CB 4.42Å; L179-I192 PolarHBondContact N-O 3.48Å; L179-I192 PolarHBondContact O-N 3.31Å; F181-I192 HydrophobicContact CD2-CG1 3.94Å; F181-I192 HydrophobicContact CE2-CB 4.16Å; F181-I192 HydrophobicContact CE2-CG1 3.69Å; V190-I192 HydrophobicContact CG1-CD1 3.79Å; V190-I192 HydrophobicContact CG1-CG1 4.31Å; I192-L194 HydrophobicContact CG2-CD2 4.16Å; I192-A217 CarbonylContact C-O 3.56Å; I192-A217 WeakPolarHBondContact CA-O 3.45Å; I192-A217 HydrophobicContact CD1-CB 3.71Å; I192-L219 HydrophobicContact CG2-CD1 3.76Å; I192-L219 HydrophobicContact CG2-CG 3.91Å; I192-L342 HydrophobicContact CD1-CD2 4.2Å; I192-L342 HydrophobicContact CG1-CD2 4.21Å
193G98.2Very high87.1Confident0 Ų039.2 Ų39.20%023%0.229CC..EExtended strand (participates in β ladder)trans-102.1156.516800000110.8V215 A217 V218 L219G193-V215 VanDerWaalsContact N-CG1 3.29Å; G193-A217 PolarHBondContact N-O 3.24Å; G193-V218 WeakPolarHBondContact O-CA 3.36Å; G193-L219 PolarHBondContact O-N 2.9Å
194L98.6Very high88Confident1 Ų144.5 Ų44.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-125.5125.5-175.3-55.6177000109.5D99 L116 L124 R126 L179 I192 M210 L219D99-L194 WeakPolarHBondContact OD2-CD2 3.16Å; L116-L194 HydrophobicContact CD1-CD1 3.49Å; L116-L194 VanDerWaalsContact CD1-CD1 3.49Å; L116-L194 HydrophobicContact CD2-CD1 3.85Å; L116-L194 HydrophobicContact CD2-CD2 4.42Å; L116-L194 HydrophobicContact CG-CD1 4.29Å; L124-L194 HydrophobicContact CD2-CD1 4.07Å; R126-L194 HydrophobicContact CB-CD1 4.01Å; R126-L194 HydrophobicContact CG-CB 4.3Å; R126-L194 HydrophobicContact CG-CD1 4.25Å; L179-L194 HydrophobicContact CD1-CD1 4.46Å; L179-L194 HydrophobicContact CD1-CD2 4.49Å; I192-L194 HydrophobicContact CG2-CD2 4.16Å; L194-M210 WeakPolarHBondContact O-CE 3.45Å; L194-L219 HydrophobicContact CD2-CB 4.48Å
195E98.4Very high89.5Confident0 Ų038.7 Ų38.70%023%0.23CC..EExtended strand (participates in β ladder)trans-116.6155.8168.5-77.2-171.7157.200111.1R114 E199 P206 H207 M210 V218 L219 N220 S221 Y250R114-E195 PolarHBondContact NH1-O 3.32Å; E195-E199 WeakPolarHBondContact CA-OE2 3.33Å; E195-E199 HydrophobicContact CB-CB 4.35Å; E195-E199 HydrophobicContact CG-CB 4.43Å; E195-P206 HydrophobicContact CG-CB 4.2Å; E195-P206 HydrophobicContact CG-CG 4.45Å; E195-P206 VanDerWaalsContact OE1-CD 3.22Å; E195-P206 WeakPolarHBondContact OE1-CD 3.16Å; E195-H207 WeakPolarHBondContact OE1-CA 3.35Å; E195-H207 VanDerWaalsContact OE1-CB 3.23Å; E195-H207 WeakPolarHBondContact OE1-CB 3.45Å; E195-H207 IonicContact OE1-CG 2.7Å; E195-H207 PolarHBondContact OE1-N 2.82Å; E195-H207 IonicContact OE1-ND1 3.35Å; E195-H207 PolarHBondContact OE1-ND1 3.27Å; E195-H207 IonicContact OE2-ND1 3.44Å; E195-H207 PolarHBondContact OE2-ND1 2.92Å; E195-M210 HydrophobicContact CG-CE 4.42Å; E195-V218 HydrophobicContact CB-CG1 4.12Å; E195-V218 HydrophobicContact CG-CG1 3.8Å; E195-L219 PolarHBondContact N-O 3.23Å; E195-N220 HydrophobicContact CB-CB 4.43Å; E195-N220 VanDerWaalsContact O-CA 3.31Å; E195-N220 WeakPolarHBondContact O-CA 3.07Å; E195-S221 PolarHBondContact O-N 3.4Å; E195-Y250 WeakPolarHBondContact OE2-CE2 3.15Å; E195-Y250 VanDerWaalsContact OE2-CZ 3.26Å; E195-Y250 PolarHBondContact OE2-OH 3.11Å
196T98.6Very high91.3Very high1 Ų135.6 Ų35.61%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-127.3115.1176.4-48.80000110.5E55 R114 K128 E198 E199 S221E55-T196 HydrophobicContact CB-CG2 4.39Å; E55-T196 HydrophobicContact CG-CG2 3.92Å; R114-T196 WeakPolarHBondContact CD-OG1 3.11Å; K128-T196 HydrophobicContact CD-CG2 3.77Å; K128-T196 WeakPolarHBondContact CE-O 3.46Å; K128-T196 HydrophobicContact CG-CG2 4.15Å; T196-E198 PolarHBondContact O-N 2.59Å; T196-E199 PolarHBondContact N-OE2 3Å; T196-E199 WeakPolarHBondContact O-CB 3.21Å; T196-E199 WeakPolarHBondContact O-CG 3.39Å; T196-E199 PolarHBondContact O-N 3.23Å; T196-E199 VanDerWaalsContact O-N 3.1Å; T196-S221 WeakPolarHBondContact CA-O 3.38Å; T196-S221 WeakPolarHBondContact CG2-O 3.42Å
197C97.4Very high93.2Very high3 Ų326.6 Ų26.62%0.0216%0.16CC..G310 helixtrans40.1-102.9174.4-163.50000115E55 E199 L200 W201 N220 S221 S222E55-C197 WeakPolarHBondContact OE2-CB 3.37Å; C197-E199 PolarHBondContact O-N 2.59Å; C197-E199 VanDerWaalsContact O-N 3.09Å; C197-L200 PolarHBondContact O-N 3.07Å; C197-W201 VanDerWaalsContact O-CD1 3.31Å; C197-N220 PolarHBondContact N-OD1 3.09Å; C197-N220 VanDerWaalsContact N-OD1 3.07Å; C197-S221 PolarHBondContact N-O 2.76Å; C197-S222 VanDerWaalsContact CA-OG 3.24Å; C197-S222 WeakPolarHBondContact CA-OG 3.26Å
198E97.1Very high94.9Very high44 Ų4429.1 Ų29.121%0.20617%0.171CC..G310 helixtrans-56.2-26-173.7-163.659.3-148.900113.3V130 A132 T196 L200 W201V130-E198 HydrophobicContact CG1-CG 4.38Å; A132-E198 HydrophobicContact CB-CB 4.05Å; A132-E198 HydrophobicContact CB-CG 4.06Å; T196-E198 PolarHBondContact O-N 2.59Å; E198-L200 PolarHBondContact O-N 3.14Å; E198-L200 VanDerWaalsContact O-N 3.08Å; E198-W201 WeakPolarHBondContact O-CB 2.93Å; E198-W201 PolarHBondContact O-N 3.17Å
199E97.9Very high95.9Very high0 Ų027.3 Ų27.30%017%0.169CC..G310 helixtrans-52.8-34.4177.6-70.9179.6177.700112.6R126 L129 V130 E195 T196 C197 W201 T202 P205 P206R126-E199 IonicContact CZ-OE1 2.74Å; R126-E199 IonicContact NH1-OE1 2.67Å; R126-E199 PolarHBondContact NH1-OE1 2.94Å; R126-E199 IonicContact NH1-OE2 3.35Å; R126-E199 IonicContact NH2-OE1 3.46Å; R126-E199 IonicContact NH2-OE2 3.42Å; L129-E199 WeakPolarHBondContact CB-OE1 3.36Å; L129-E199 PolarHBondContact N-OE1 2.85Å; V130-E199 HydrophobicContact CB-CG 4.09Å; V130-E199 HydrophobicContact CG2-CG 4.33Å; E195-E199 WeakPolarHBondContact CA-OE2 3.33Å; E195-E199 HydrophobicContact CB-CB 4.35Å; E195-E199 HydrophobicContact CG-CB 4.43Å; T196-E199 PolarHBondContact N-OE2 3Å; T196-E199 WeakPolarHBondContact O-CB 3.21Å; T196-E199 WeakPolarHBondContact O-CG 3.39Å; T196-E199 PolarHBondContact O-N 3.23Å; T196-E199 VanDerWaalsContact O-N 3.1Å; C197-E199 PolarHBondContact O-N 2.59Å; C197-E199 VanDerWaalsContact O-N 3.09Å; E199-W201 VanDerWaalsContact C-N 3.34Å; E199-W201 PolarHBondContact O-N 3.26Å; E199-T202 PolarHBondContact O-OG1 3.15Å; E199-T202 VanDerWaalsContact O-OG1 3.13Å; E199-P205 WeakPolarHBondContact O-CA 3.34Å; E199-P205 WeakPolarHBondContact O-CB 3.2Å; E199-P206 HydrophobicContact CB-CG 4.04Å; E199-P206 HydrophobicContact CG-CG 4.27Å; E199-P206 WeakPolarHBondContact O-CD 3.3Å
200L97.7Very high96.2Very high4 Ų423.5 Ų23.52%0.02115%0.151CC..G310 helixtrans-66.9-29.2175.7174.460.3000113.7C197 E198 L237 V238 A241 Y250 Y252C197-L200 PolarHBondContact O-N 3.07Å; E198-L200 PolarHBondContact O-N 3.14Å; E198-L200 VanDerWaalsContact O-N 3.08Å; L200-L237 HydrophobicContact CD1-CB 4.2Å; L200-L237 HydrophobicContact CD2-CB 4.06Å; L200-L237 HydrophobicContact CG-CB 4.04Å; L200-V238 HydrophobicContact CD2-CG2 3.83Å; L200-A241 HydrophobicContact CD1-CB 3.78Å; L200-Y250 HydrophobicContact CD1-CE2 4.35Å; L200-Y250 HydrophobicContact CD2-CE1 4.32Å; L200-Y252 HydrophobicContact CD2-CD2 4.39Å; L200-Y252 HydrophobicContact CD2-CE2 4.5Å
201W95.5Very high96.2Very high39 Ų3923.5 Ų23.515%0.14815%0.151CC..G310 helixtrans-89.2-9.5-168.3-58.675.3000112.8C197 E198 E199 K230 R233 R234 L237C197-W201 VanDerWaalsContact O-CD1 3.31Å; E198-W201 WeakPolarHBondContact O-CB 2.93Å; E198-W201 PolarHBondContact O-N 3.17Å; E199-W201 VanDerWaalsContact C-N 3.34Å; E199-W201 PolarHBondContact O-N 3.26Å; W201-K230 HydrophobicContact CH2-CG 4.31Å; W201-R233 HydrophobicContact CH2-CG 4.48Å; W201-R233 HydrophobicContact CZ3-CB 4.43Å; W201-R233 HydrophobicContact CZ3-CG 3.83Å; W201-R234 HydrophobicContact CH2-CB 4.2Å; W201-R234 HydrophobicContact CZ2-CB 4.27Å; W201-R234 HydrophobicContact CZ2-CG 4.31Å; W201-L237 HydrophobicContact CD2-CD1 3.51Å; W201-L237 HydrophobicContact CE3-CD1 3.27Å; W201-L237 HydrophobicContact CG-CD1 4.13Å; W201-L237 HydrophobicContact CH2-CD1 4.01Å; W201-L237 HydrophobicContact CZ2-CD1 4.23Å; W201-L237 HydrophobicContact CZ3-CD1 3.54Å
202T94.4Very high96.1Very high40 Ų4023.4 Ų23.425%0.24515%0.153CC..SBendtrans-74162.9-177.7690000112.8V130 E199 T204 P205V130-T202 HydrophobicContact CB-CG2 4.21Å; V130-T202 HydrophobicContact CG1-CG2 3.7Å; V130-T202 HydrophobicContact CG2-CG2 4.11Å; E199-T202 PolarHBondContact O-OG1 3.15Å; E199-T202 VanDerWaalsContact O-OG1 3.13Å; T202-T204 VanDerWaalsContact C-N 3.26Å; T202-T204 PolarHBondContact O-N 3.26Å; T202-P205 WeakPolarHBondContact O-CD 3.09Å; T202-P205 WeakPolarHBondContact OG1-CA 3.47Å
203G93.4Very high95.8Very high80 Ų8024.7 Ų24.783%0.82516%0.163SC*.SBendtrans-71-17.617700000114.7
204T93.2Very high95.5Very high123 Ų12325.5 Ų25.576%0.75517%0.172SC*.SBendtrans-13768.2177.354.50000109.6T202T202-T204 VanDerWaalsContact C-N 3.26Å; T202-T204 PolarHBondContact O-N 3.26Å
205P96.4Very high95.3Very high14 Ų1425.4 Ų25.49%0.09117%0.171CC..  trans-65.1145.1-172.828.1-36.1000111.4E199 T202 H207 I208E199-P205 WeakPolarHBondContact O-CA 3.34Å; E199-P205 WeakPolarHBondContact O-CB 3.2Å; T202-P205 WeakPolarHBondContact O-CD 3.09Å; T202-P205 WeakPolarHBondContact OG1-CA 3.47Å; P205-H207 WeakPolarHBondContact CB-CE1 3.33Å; P205-H207 WeakPolarHBondContact CG-CE1 3.31Å; P205-H207 PolarHBondContact O-N 2.75Å; P205-H207 VanDerWaalsContact O-N 3.08Å; P205-I208 HydrophobicContact CG-CD1 3.97Å; P205-I208 HydrophobicContact CG-CG1 4.1Å; P205-I208 PolarHBondContact O-N 3.08Å; P205-I208 VanDerWaalsContact O-N 3.12Å
206P96.2Very high95.1Very high13 Ų1325.5 Ų25.58%0.08417%0.172CC..Hα-helixtrans-53.8-31.7-174.8-28.334.6000115L129 E195 E199 I208 A209 M210 Y333L129-P206 HydrophobicContact CD1-CB 4.44Å; L129-P206 HydrophobicContact CD1-CG 4.05Å; E195-P206 HydrophobicContact CG-CB 4.2Å; E195-P206 HydrophobicContact CG-CG 4.45Å; E195-P206 VanDerWaalsContact OE1-CD 3.22Å; E195-P206 WeakPolarHBondContact OE1-CD 3.16Å; E199-P206 HydrophobicContact CB-CG 4.04Å; E199-P206 HydrophobicContact CG-CG 4.27Å; E199-P206 WeakPolarHBondContact O-CD 3.3Å; P206-I208 PolarHBondContact O-N 2.84Å; P206-I208 VanDerWaalsContact O-N 3.16Å; P206-A209 PolarHBondContact O-N 2.63Å; P206-M210 HydrophobicContact CB-CE 3.63Å; P206-M210 WeakPolarHBondContact O-CG 3.35Å; P206-M210 PolarHBondContact O-N 3.28Å; P206-Y333 PolarHBondContact O-OH 3.02Å
207H96.6Very high95.1Very high10 Ų1025.4 Ų25.45%0.04617%0.171CC..Hα-helixtrans-60.1-27.3-178.364.8-106.8000112.6E195 P205 A209 M210 Y211 V218 A241 Y250E195-H207 WeakPolarHBondContact OE1-CA 3.35Å; E195-H207 VanDerWaalsContact OE1-CB 3.23Å; E195-H207 WeakPolarHBondContact OE1-CB 3.45Å; E195-H207 IonicContact OE1-CG 2.7Å; E195-H207 PolarHBondContact OE1-N 2.82Å; E195-H207 IonicContact OE1-ND1 3.35Å; E195-H207 PolarHBondContact OE1-ND1 3.27Å; E195-H207 IonicContact OE2-ND1 3.44Å; E195-H207 PolarHBondContact OE2-ND1 2.92Å; P205-H207 WeakPolarHBondContact CB-CE1 3.33Å; P205-H207 WeakPolarHBondContact CG-CE1 3.31Å; P205-H207 PolarHBondContact O-N 2.75Å; P205-H207 VanDerWaalsContact O-N 3.08Å; H207-A209 VanDerWaalsContact C-N 3.35Å; H207-A209 PolarHBondContact O-N 3Å; H207-M210 PolarHBondContact O-N 2.81Å; H207-Y211 HydrophobicContact CB-CD2 4.1Å; H207-Y211 HydrophobicContact CB-CE2 4Å; H207-Y211 WeakPolarHBondContact O-CB 3.35Å; H207-Y211 WeakPolarHBondContact O-CD2 3.42Å; H207-Y211 PolarHBondContact O-N 2.73Å; H207-V218 HydrophobicContact CB-CB 4.4Å; H207-V218 HydrophobicContact CB-CG1 4.15Å; H207-V218 HydrophobicContact CB-CG2 3.9Å; H207-A241 VanDerWaalsContact CE1-CB 3.44Å; H207-A241 WeakPolarHBondContact CE1-CB 3.12Å; H207-Y250 HydrophobicContact CB-CE2 4.32Å; H207-Y250 AromaticContact ND1-CE2 3.97Å
208I94.7Very high95.1Very high72 Ų7225.3 Ų25.337%0.36917%0.17SC..Hα-helixtrans-57.8-53.7173.9-63.9177000108.5P205 P206 M210 A212 N245P205-I208 HydrophobicContact CG-CD1 3.97Å; P205-I208 HydrophobicContact CG-CG1 4.1Å; P205-I208 PolarHBondContact O-N 3.08Å; P205-I208 VanDerWaalsContact O-N 3.12Å; P206-I208 PolarHBondContact O-N 2.84Å; P206-I208 VanDerWaalsContact O-N 3.16Å; I208-M210 VanDerWaalsContact C-N 3.34Å; I208-M210 PolarHBondContact O-N 2.68Å; I208-A212 WeakPolarHBondContact O-CB 3.44Å; I208-A212 PolarHBondContact O-N 3.08Å; I208-N245 PolarHBondContact O-ND2 2.76Å
209A93.5Very high95.2Very high34 Ų3423.2 Ų23.228%0.28116%0.161SC..Hα-helixtrans-69.8-32.4-179.400000112P206 H207 A213 Y333P206-A209 PolarHBondContact O-N 2.63Å; H207-A209 VanDerWaalsContact C-N 3.35Å; H207-A209 PolarHBondContact O-N 3Å; A209-A213 WeakPolarHBondContact O-CB 3Å; A209-A213 PolarHBondContact O-N 2.75Å; A209-Y333 VanDerWaalsContact C-CE2 3.44Å; A209-Y333 HydrophobicContact CB-CE2 3.59Å
210M95.3Very high95.2Very high1 Ų123.2 Ų23.21%0.00516%0.161CC..Hα-helixtrans-65.3-48.1175.4-65.8173.1-172.900112.1L194 E195 P206 H207 I208 A212 A213 G214 V215 V218 Y333L194-M210 WeakPolarHBondContact O-CE 3.45Å; E195-M210 HydrophobicContact CG-CE 4.42Å; P206-M210 HydrophobicContact CB-CE 3.63Å; P206-M210 WeakPolarHBondContact O-CG 3.35Å; P206-M210 PolarHBondContact O-N 3.28Å; H207-M210 PolarHBondContact O-N 2.81Å; I208-M210 VanDerWaalsContact C-N 3.34Å; I208-M210 PolarHBondContact O-N 2.68Å; M210-A212 VanDerWaalsContact C-N 3.35Å; M210-A213 CarbonylContact O-C 3.54Å; M210-A213 WeakPolarHBondContact O-CA 3.42Å; M210-A213 WeakPolarHBondContact O-CB 3.47Å; M210-A213 PolarHBondContact O-N 3.39Å; M210-G214 PolarHBondContact O-N 2.77Å; M210-V215 HydrophobicContact CB-CB 4.13Å; M210-V215 HydrophobicContact CB-CG2 3.83Å; M210-V215 VanDerWaalsContact O-CB 3.31Å; M210-V215 WeakPolarHBondContact O-CB 3.49Å; M210-V215 WeakPolarHBondContact O-CG2 3.39Å; M210-V215 PolarHBondContact O-N 2.71Å; M210-V215 VanDerWaalsContact O-N 3.09Å; M210-V218 HydrophobicContact CB-CG2 4.39Å; M210-V218 HydrophobicContact SD-CG1 4.46Å; M210-V218 HydrophobicContact SD-CG2 4.18Å; M210-Y333 HydrophobicContact CE-CE1 4.4Å; M210-Y333 HydrophobicContact CG-CE1 4.12Å; M210-Y333 HydrophobicContact CG-CE2 4.06Å; M210-Y333 WeakPolarHBondContact CG-OH 3.47Å
211Y94.4Very high95.3Very high0 Ų023 Ų230%016%0.16CC..Hα-helixtrans-64.2-41.1176.2-73.7-50.9000111.1H207 A213 G214 V215 V218 A241 A244 F249 F311H207-Y211 HydrophobicContact CB-CD2 4.1Å; H207-Y211 HydrophobicContact CB-CE2 4Å; H207-Y211 WeakPolarHBondContact O-CB 3.35Å; H207-Y211 WeakPolarHBondContact O-CD2 3.42Å; H207-Y211 PolarHBondContact O-N 2.73Å; Y211-A213 PolarHBondContact O-N 3.01Å; Y211-G214 WeakPolarHBondContact O-CA 3.47Å; Y211-G214 PolarHBondContact O-N 3.27Å; Y211-V215 HydrophobicContact CD1-CB 4.5Å; Y211-V215 VanDerWaalsContact CD1-O 3.3Å; Y211-V215 WeakPolarHBondContact CD1-O 3.44Å; Y211-V218 HydrophobicContact CE1-CG2 3.98Å; Y211-V218 HydrophobicContact CE2-CG2 4.05Å; Y211-A241 WeakPolarHBondContact CE2-O 3.41Å; Y211-A244 HydrophobicContact CD2-CB 3.92Å; Y211-A244 HydrophobicContact CE2-CB 4.34Å; Y211-F249 PolarHBondContact OH-O 3.35Å; Y211-F249 VanDerWaalsContact OH-O 3.08Å; Y211-F311 VanDerWaalsContact O-CE2 3.27Å; Y211-F311 WeakPolarHBondContact O-CE2 3.42Å
212A92.4Very high95.4Very high13 Ų1321.1 Ų21.111%0.10715%0.153CC..Hα-helixtrans-57.5-36.4171.100000111.7I208 M210 G214 A314 A315I208-A212 WeakPolarHBondContact O-CB 3.44Å; I208-A212 PolarHBondContact O-N 3.08Å; M210-A212 VanDerWaalsContact C-N 3.35Å; A212-G214 PolarHBondContact O-N 3Å; A212-A314 HydrophobicContact CB-CB 3.99Å; A212-A315 WeakPolarHBondContact O-CA 3.42Å; A212-A315 WeakPolarHBondContact O-CB 3.44Å
213A91.9Very high95.5Very high26 Ų2619.2 Ų19.222%0.21514%0.141CC..THydrogen-bonded Turntrans-76.34.3174.500000114.7I178 A209 M210 Y211 Y333I178-A213 HydrophobicContact CD1-CB 3.65Å; A209-A213 WeakPolarHBondContact O-CB 3Å; A209-A213 PolarHBondContact O-N 2.75Å; M210-A213 CarbonylContact O-C 3.54Å; M210-A213 WeakPolarHBondContact O-CA 3.42Å; M210-A213 WeakPolarHBondContact O-CB 3.47Å; M210-A213 PolarHBondContact O-N 3.39Å; Y211-A213 PolarHBondContact O-N 3.01Å; A213-Y333 HydrophobicContact CB-CD2 3.83Å; A213-Y333 HydrophobicContact CB-CG 4.34Å
214G91.7Very high95.7Very high17 Ų1715.6 Ų15.618%0.17510%0.103CC..THydrogen-bonded Turntrans89.213.9174.300000115.3M210 Y211 A212 D216M210-G214 PolarHBondContact O-N 2.77Å; Y211-G214 WeakPolarHBondContact O-CA 3.47Å; Y211-G214 PolarHBondContact O-N 3.27Å; A212-G214 PolarHBondContact O-N 3Å; G214-D216 PolarHBondContact O-N 2.94Å
215V94.8Very high95.8Very high0 Ų010.6 Ų10.60%07%0.071CC..  trans-55.8130.9173.1165.60000110.7I178 G193 M210 Y211 A217 V218 R305I178-V215 HydrophobicContact CB-CG2 4.31Å; I178-V215 HydrophobicContact CD1-CG2 3.5Å; I178-V215 VanDerWaalsContact CD1-CG2 3.5Å; I178-V215 HydrophobicContact CG1-CG2 3.59Å; I178-V215 HydrophobicContact CG2-CG2 3.76Å; G193-V215 VanDerWaalsContact N-CG1 3.29Å; M210-V215 HydrophobicContact CB-CB 4.13Å; M210-V215 HydrophobicContact CB-CG2 3.83Å; M210-V215 VanDerWaalsContact O-CB 3.31Å; M210-V215 WeakPolarHBondContact O-CB 3.49Å; M210-V215 WeakPolarHBondContact O-CG2 3.39Å; M210-V215 PolarHBondContact O-N 2.71Å; M210-V215 VanDerWaalsContact O-N 3.09Å; Y211-V215 HydrophobicContact CD1-CB 4.5Å; Y211-V215 VanDerWaalsContact CD1-O 3.3Å; Y211-V215 WeakPolarHBondContact CD1-O 3.44Å; V215-A217 VanDerWaalsContact CG1-C 3.45Å; V215-A217 WeakPolarHBondContact CG1-O 3.16Å; V215-V218 HydrophobicContact CG1-CG2 3.9Å; V215-R305 PolarHBondContact O-NH1 2.74Å; V215-R305 PolarHBondContact O-NH2 2.73Å
216D94.9Very high95.8Very high1 Ų111.9 Ų11.91%0.0058%0.076CC..SBendtrans-79.3-36.9176.6-60.8-66.8000111.5V190 Q191 G214 F249 L298 R302 R305V190-D216 HydrophobicContact CG1-CB 4.45Å; Q191-D216 PolarHBondContact N-OD2 3.09Å; Q191-D216 PolarHBondContact O-N 3.12Å; G214-D216 PolarHBondContact O-N 2.94Å; D216-F249 PolarHBondContact O-N 3.02Å; D216-F249 VanDerWaalsContact O-N 3.12Å; D216-L298 HydrophobicContact CB-CD2 3.83Å; D216-R302 IonicContact OD1-CZ 2.54Å; D216-R302 IonicContact OD1-NE 3.62Å; D216-R302 PolarHBondContact OD1-NE 3.04Å; D216-R302 IonicContact OD1-NH2 3.44Å; D216-R302 PolarHBondContact OD1-NH2 3.12Å; D216-R302 IonicContact OD2-CZ 3.86Å; D216-R302 IonicContact OD2-NE 3.91Å; D216-R302 IonicContact OD2-NH2 3.79Å; D216-R302 PolarHBondContact OD2-NH2 3.05Å; D216-R305 IonicContact OD1-NH1 3.07Å
217A96.8Very high95.7Very high0 Ų016.5 Ų16.50%010%0.096CC..EExtended strand (participates in β ladder)trans-140.2143.6179.700000114.4F15 Q191 I192 G193 V215 F249F15-A217 HydrophobicContact CZ-CB 4.12Å; Q191-A217 PolarHBondContact O-N 3.04Å; I192-A217 CarbonylContact C-O 3.56Å; I192-A217 WeakPolarHBondContact CA-O 3.45Å; I192-A217 HydrophobicContact CD1-CB 3.71Å; G193-A217 PolarHBondContact N-O 3.24Å; V215-A217 VanDerWaalsContact CG1-C 3.45Å; V215-A217 WeakPolarHBondContact CG1-O 3.16Å; A217-F249 CarbonylContact C-O 3.57Å; A217-F249 WeakPolarHBondContact CA-O 3.35Å; A217-F249 HydrophobicContact CB-CB 3.82Å; A217-F249 HydrophobicContact CB-CD1 3.45Å; A217-F249 VanDerWaalsContact CB-CD1 3.45Å; A217-F249 HydrophobicContact CB-CE1 4.45Å; A217-F249 HydrophobicContact CB-CG 4.06Å
218V98.4Very high95.6Very high0 Ų019.5 Ų19.50%011%0.112CC..EExtended strand (participates in β ladder)trans-113128171177.90000109.4G193 E195 H207 M210 Y211 V215 F249 Y250 A251G193-V218 WeakPolarHBondContact O-CA 3.36Å; E195-V218 HydrophobicContact CB-CG1 4.12Å; E195-V218 HydrophobicContact CG-CG1 3.8Å; H207-V218 HydrophobicContact CB-CB 4.4Å; H207-V218 HydrophobicContact CB-CG1 4.15Å; H207-V218 HydrophobicContact CB-CG2 3.9Å; M210-V218 HydrophobicContact CB-CG2 4.39Å; M210-V218 HydrophobicContact SD-CG1 4.46Å; M210-V218 HydrophobicContact SD-CG2 4.18Å; Y211-V218 HydrophobicContact CE1-CG2 3.98Å; Y211-V218 HydrophobicContact CE2-CG2 4.05Å; V215-V218 HydrophobicContact CG1-CG2 3.9Å; V218-F249 PolarHBondContact N-O 2.67Å; V218-Y250 HydrophobicContact CB-CD2 3.79Å; V218-Y250 HydrophobicContact CB-CE2 3.93Å; V218-Y250 HydrophobicContact CG1-CD2 3.96Å; V218-Y250 HydrophobicContact CG1-CE2 3.55Å; V218-Y250 WeakPolarHBondContact O-CA 3.25Å; V218-A251 PolarHBondContact O-N 3.32Å
219L98.7Very high95.6Very high0 Ų023.2 Ų23.20%012%0.121CC..EExtended strand (participates in β ladder)trans-110.4128.7179.6-53.1-179.8000109.1V17 Y50 V52 R114 I192 G193 L194 E195 F249 A251V17-L219 HydrophobicContact CG1-CD1 4.28Å; V17-L219 HydrophobicContact CG1-CD2 4.13Å; Y50-L219 HydrophobicContact CD1-CD1 3.53Å; Y50-L219 HydrophobicContact CD2-CD1 4.49Å; Y50-L219 HydrophobicContact CE1-CD1 3.21Å; Y50-L219 HydrophobicContact CE2-CD1 4.22Å; Y50-L219 HydrophobicContact CG-CD1 4.18Å; V52-L219 HydrophobicContact CG2-CB 4.46Å; R114-L219 PolarHBondContact NH1-O 3.3Å; I192-L219 HydrophobicContact CG2-CD1 3.76Å; I192-L219 HydrophobicContact CG2-CG 3.91Å; G193-L219 PolarHBondContact O-N 2.9Å; L194-L219 HydrophobicContact CD2-CB 4.48Å; E195-L219 PolarHBondContact N-O 3.23Å; L219-F249 HydrophobicContact CD2-CE1 4.19Å; L219-A251 CarbonylContact C-O 3.5Å; L219-A251 HydrophobicContact CD2-CB 3.8Å
220N98.8Very high95.7Very high0 Ų023 Ų230%011%0.114CC..EExtended strand (participates in β ladder)trans-111.6119.4-179.4-170.5-47.1000111.2E195 C197 S222 Y250 A251 Y252 T253E195-N220 HydrophobicContact CB-CB 4.43Å; E195-N220 VanDerWaalsContact O-CA 3.31Å; E195-N220 WeakPolarHBondContact O-CA 3.07Å; C197-N220 PolarHBondContact N-OD1 3.09Å; C197-N220 VanDerWaalsContact N-OD1 3.07Å; N220-S222 PolarHBondContact OD1-OG 3.07Å; N220-Y250 HydrophobicContact CB-CE1 3.74Å; N220-Y250 WeakPolarHBondContact CB-OH 3.3Å; N220-Y250 PolarHBondContact ND2-OH 2.82Å; N220-A251 WeakPolarHBondContact CB-O 3.09Å; N220-A251 PolarHBondContact N-O 2.84Å; N220-Y252 HydrophobicContact CB-CD2 3.91Å; N220-Y252 WeakPolarHBondContact O-CA 3.3Å; N220-T253 PolarHBondContact O-N 2.71Å; N220-T253 PolarHBondContact O-OG1 2.97Å
221S98.7Very high95.6Very high0 Ų023.1 Ų23.10%012%0.115CC..EExtended strand (participates in β ladder)trans-95.8123.6169.6-70.10000108.9V52 G53 R114 E195 T196 C197V52-S221 WeakPolarHBondContact CG2-OG 3.47Å; G53-S221 WeakPolarHBondContact O-CB 3.45Å; G53-S221 PolarHBondContact O-OG 3.2Å; R114-S221 PolarHBondContact NE-OG 2.83Å; R114-S221 PolarHBondContact NH2-OG 2.84Å; E195-S221 PolarHBondContact O-N 3.4Å; T196-S221 WeakPolarHBondContact CA-O 3.38Å; T196-S221 WeakPolarHBondContact CG2-O 3.42Å; C197-S221 PolarHBondContact N-O 2.76Å
222S98.5Very high95.6Very high0 Ų026 Ų260%013%0.13CC..  trans-131.2160.2-175.6-68.90000115.1P54 E55 C197 N220 Y252 T253 N254 L255P54-S222 WeakPolarHBondContact CB-O 3.11Å; E55-S222 PolarHBondContact N-O 3.39Å; E55-S222 VanDerWaalsContact N-O 3.14Å; C197-S222 VanDerWaalsContact CA-OG 3.24Å; C197-S222 WeakPolarHBondContact CA-OG 3.26Å; N220-S222 PolarHBondContact OD1-OG 3.07Å; S222-Y252 WeakPolarHBondContact CB-OH 3.45Å; S222-Y252 WeakPolarHBondContact OG-CE2 3.07Å; S222-Y252 PolarHBondContact OG-OH 2.94Å; S222-T253 WeakPolarHBondContact CA-O 3.25Å; S222-T253 VanDerWaalsContact CB-O 3.22Å; S222-T253 WeakPolarHBondContact CB-O 3.47Å; S222-T253 PolarHBondContact N-O 3.48Å; S222-N254 WeakPolarHBondContact O-CA 3.34Å; S222-N254 PolarHBondContact O-OD1 3.01Å; S222-L255 PolarHBondContact O-N 3.03Å
223A97.3Very high95.8Very high0 Ų032.5 Ų32.50%015%0.152CC..  trans-131.459.5163.500000109.7E55 Y61 H225 N254 L255 Y265E55-A223 HydrophobicContact CB-CB 3.99Å; E55-A223 HydrophobicContact CG-CB 4.41Å; E55-A223 PolarHBondContact OE2-N 3.49Å; E55-A223 VanDerWaalsContact OE2-N 3.11Å; Y61-A223 HydrophobicContact CD1-CB 4.09Å; Y61-A223 HydrophobicContact CD2-CB 3.29Å; Y61-A223 HydrophobicContact CE2-CB 3.96Å; Y61-A223 HydrophobicContact CG-CB 3.35Å; A223-H225 PolarHBondContact O-N 3.39Å; A223-N254 VanDerWaalsContact CA-OD1 3.28Å; A223-N254 WeakPolarHBondContact CA-OD1 3.23Å; A223-N254 PolarHBondContact N-OD1 3.23Å; A223-L255 HydrophobicContact CB-CD1 3.72Å; A223-L255 HydrophobicContact CB-CG 4.19Å; A223-Y265 HydrophobicContact CB-CD1 4.4Å; A223-Y265 HydrophobicContact CB-CE1 3.99Å; A223-Y265 WeakPolarHBondContact O-CE1 3.24Å
224S96.4Very high96Very high3 Ų331.3 Ų31.32%0.02114%0.142CC..  trans-86.2110.3-178.3-173.60000110.4R234 Y252 N254S224-R234 PolarHBondContact O-NH2 3.04Å; S224-R234 PolarHBondContact OG-NH2 2.76Å; S224-Y252 WeakPolarHBondContact CB-OH 3.37Å; S224-N254 PolarHBondContact N-OD1 3.29Å; S224-N254 PolarHBondContact O-ND2 2.87Å
225H95.4Very high96.2Very high19 Ų1931.3 Ų31.39%0.08814%0.138CC..BIsolated β-bridgetrans-65.5152.6178.667-88.7000112H137 A223 E227 A263 Y265H137-H225 AromaticContact CD2-CE1 3.79Å; H137-H225 AromaticContact CE1-CE1 3.99Å; H137-H225 AromaticContact CE1-ND1 3.45Å; H137-H225 PolarHBondContact CE1-ND1 2.91Å; H137-H225 AromaticContact NE2-CE1 3.17Å; H137-H225 PolarHBondContact NE2-CE1 3.42Å; H137-H225 AromaticContact NE2-ND1 3.03Å; H137-H225 PolarHBondContact NE2-ND1 3.02Å; A223-H225 PolarHBondContact O-N 3.39Å; H225-E227 PolarHBondContact O-N 3.27Å; H225-A263 HydrophobicContact CB-CB 4.27Å; H225-Y265 HydrophobicContact CB-CD1 4.31Å; H225-Y265 HydrophobicContact CB-CE1 4.36Å
226H95.6Very high96.2Very high41 Ų4137.7 Ų37.719%0.1917%0.167CC..  trans-63.2126.6171.6170.4-121.2000110.5C264 D266 F284H226-C264 VanDerWaalsContact CB-O 3.27Å; H226-C264 WeakPolarHBondContact CB-O 2.99Å; H226-C264 PolarHBondContact N-O 2.9Å; H226-D266 HydrophobicContact CB-CB 4.23Å; H226-F284 HydrophobicContact CB-CE1 4.17Å; H226-F284 AromaticContact CD2-CZ 3.6Å; H226-F284 AromaticContact CG-CE1 3.87Å; H226-F284 AromaticContact CG-CZ 3.88Å; H226-F284 AromaticContact NE2-CZ 3.78Å
227E94.8Very high96.3Very high110 Ų11039.7 Ų39.751%0.51418%0.178SC..  trans-134.5138.1165175.7-172.3167.500105.9H225 R229 K230H225-E227 PolarHBondContact O-N 3.27Å; E227-R229 PolarHBondContact O-N 2.9Å; E227-K230 HydrophobicContact CB-CB 3.85Å; E227-K230 HydrophobicContact CB-CD 3.69Å; E227-K230 HydrophobicContact CB-CG 4.43Å; E227-K230 HydrophobicContact CG-CB 4.45Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 2.67Å; E227-K230 IonicContact OE2-NZ 3.09Å
228L95.1Very high96.3Very high73 Ų7339.7 Ų39.738%0.38218%0.178SC..THydrogen-bonded Turntrans-52.2126-173.5-16873.5000110.5K230 P364 E367 I368L228-K230 PolarHBondContact O-N 3.18Å; L228-P364 HydrophobicContact CD1-CB 4.35Å; L228-E367 HydrophobicContact CD1-CB 3.96Å; L228-E367 WeakPolarHBondContact CD1-OE2 3.43Å; L228-I368 HydrophobicContact CD1-CD1 4.23Å; L228-I368 HydrophobicContact CD1-CG1 3.75Å
229R94.3Very high96.2Very high150 Ų15042.4 Ų42.457%0.56619%0.19SC*.THydrogen-bonded Turntrans66.32.3-177.1-56.7162176.7158.1-0.2116.6E227 L231 N232 P364 E367E227-R229 PolarHBondContact O-N 2.9Å; R229-L231 PolarHBondContact O-N 2.89Å; R229-N232 PolarHBondContact O-N 2.84Å; R229-N232 PolarHBondContact O-ND2 3.37Å; R229-P364 HydrophobicContact CG-CG 4.25Å; R229-P364 VanDerWaalsContact NE-CG 3.33Å; R229-E367 PolarHBondContact N-OE2 2.65Å
230K94.7Very high96.1Very high30 Ų3045.7 Ų45.713%0.1321%0.213CC..Hα-helixtrans-63.7-26.4-177.8179.8173.9176.91770113.7W201 E227 L228 N232 R233 R234W201-K230 HydrophobicContact CH2-CG 4.31Å; E227-K230 HydrophobicContact CB-CB 3.85Å; E227-K230 HydrophobicContact CB-CD 3.69Å; E227-K230 HydrophobicContact CB-CG 4.43Å; E227-K230 HydrophobicContact CG-CB 4.45Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 2.67Å; E227-K230 IonicContact OE2-NZ 3.09Å; L228-K230 PolarHBondContact O-N 3.18Å; K230-N232 PolarHBondContact O-N 3.49Å; K230-R233 PolarHBondContact O-N 2.88Å; K230-R233 VanDerWaalsContact O-N 3.13Å; K230-R234 PolarHBondContact O-N 3.39Å; K230-R234 VanDerWaalsContact O-N 3.16Å
231L94.7Very high96Very high2 Ų245.8 Ų45.81%0.0121%0.213CC..Hα-helixtrans-56.9-36.5177.8-179.659.7000112.3R229 R233 R234 I235 C268 Q283R229-L231 PolarHBondContact O-N 2.89Å; L231-R233 VanDerWaalsContact C-N 3.33Å; L231-R233 PolarHBondContact O-N 2.85Å; L231-R234 WeakPolarHBondContact O-CB 3.4Å; L231-R234 PolarHBondContact O-N 3.3Å; L231-I235 HydrophobicContact CD1-CD1 4.28Å; L231-I235 HydrophobicContact CD1-CG1 4.26Å; L231-I235 HydrophobicContact CG-CD1 3.95Å; L231-I235 HydrophobicContact CG-CG1 4.4Å; L231-I235 WeakPolarHBondContact O-CG1 3.43Å; L231-I235 PolarHBondContact O-N 3.34Å; L231-C268 HydrophobicContact CD1-CB 3.68Å; L231-Q283 HydrophobicContact CD2-CB 4.43Å; L231-Q283 HydrophobicContact CD2-CG 4.26Å
232N94.3Very high95.9Very high61 Ų6145.8 Ų45.833%0.32621%0.213SC..Hα-helixtrans-55-49.6176.4-65.1-63.7000111.5R229 K230 R234 I235 E236 I361R229-N232 PolarHBondContact O-N 2.84Å; R229-N232 PolarHBondContact O-ND2 3.37Å; K230-N232 PolarHBondContact O-N 3.49Å; N232-R234 VanDerWaalsContact C-N 3.34Å; N232-R234 PolarHBondContact O-N 3.38Å; N232-I235 PolarHBondContact O-N 3.2Å; N232-E236 WeakPolarHBondContact O-CG 3.41Å; N232-E236 PolarHBondContact O-N 3.21Å; N232-I361 WeakPolarHBondContact OD1-CD1 3.11Å
233R95.1Very high95.6Very high150 Ų15050 Ų5057%0.56623%0.234SC*.Hα-helixtrans-65-39179.8-173.2171.5176.1-166.7-1111.5W201 K230 L231 I235 E236 L237W201-R233 HydrophobicContact CH2-CG 4.48Å; W201-R233 HydrophobicContact CZ3-CB 4.43Å; W201-R233 HydrophobicContact CZ3-CG 3.83Å; K230-R233 PolarHBondContact O-N 2.88Å; K230-R233 VanDerWaalsContact O-N 3.13Å; L231-R233 VanDerWaalsContact C-N 3.33Å; L231-R233 PolarHBondContact O-N 2.85Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 2.83Å; R233-E236 PolarHBondContact O-N 3.01Å; R233-L237 HydrophobicContact CG-CD1 4.3Å; R233-L237 WeakPolarHBondContact O-CG 3.38Å; R233-L237 PolarHBondContact O-N 2.82Å
234R96.3Very high95.4Very high0 Ų050.9 Ų50.90%024%0.242CC..Hα-helixtrans-61.1-43.4175.1-170.7-170.1-67.7162.67.8111.2W201 S224 K230 L231 N232 L237 V238 Y252 N254 D266 G267W201-R234 HydrophobicContact CH2-CB 4.2Å; W201-R234 HydrophobicContact CZ2-CB 4.27Å; W201-R234 HydrophobicContact CZ2-CG 4.31Å; S224-R234 PolarHBondContact O-NH2 3.04Å; S224-R234 PolarHBondContact OG-NH2 2.76Å; K230-R234 PolarHBondContact O-N 3.39Å; K230-R234 VanDerWaalsContact O-N 3.16Å; L231-R234 WeakPolarHBondContact O-CB 3.4Å; L231-R234 PolarHBondContact O-N 3.3Å; N232-R234 VanDerWaalsContact C-N 3.34Å; N232-R234 PolarHBondContact O-N 3.38Å; R234-L237 PolarHBondContact O-N 3.2Å; R234-V238 WeakPolarHBondContact O-CG2 3.28Å; R234-V238 PolarHBondContact O-N 2.89Å; R234-Y252 VanDerWaalsContact CD-CE1 3.47Å; R234-Y252 HydrophobicContact CG-CE1 4.41Å; R234-Y252 HydrophobicContact CG-CE2 4.42Å; R234-Y252 PolarHBondContact NE-OH 3.33Å; R234-N254 PolarHBondContact NH1-ND2 2.78Å; R234-D266 IonicContact CZ-OD1 3.6Å; R234-D266 IonicContact CZ-OD2 2.82Å; R234-D266 IonicContact NH1-OD1 2.92Å; R234-D266 PolarHBondContact NH1-OD1 2.92Å; R234-D266 IonicContact NH1-OD2 2.72Å; R234-D266 IonicContact NH2-OD1 3.17Å; R234-D266 PolarHBondContact NH2-OD1 3.1Å; R234-D266 VanDerWaalsContact NH2-OD1 3.13Å; R234-D266 IonicContact NH2-OD2 3.58Å; R234-G267 PolarHBondContact NH1-O 2.87Å
235I95.8Very high94.7Very high18 Ų1852.1 Ų52.19%0.09225%0.248CC..Hα-helixtrans-60.9-49.1176.6-70.2165.9000110.7L231 N232 R233 L237 V238 K239 L270 V277 L280 I361L231-I235 HydrophobicContact CD1-CD1 4.28Å; L231-I235 HydrophobicContact CD1-CG1 4.26Å; L231-I235 HydrophobicContact CG-CD1 3.95Å; L231-I235 HydrophobicContact CG-CG1 4.4Å; L231-I235 WeakPolarHBondContact O-CG1 3.43Å; L231-I235 PolarHBondContact O-N 3.34Å; N232-I235 PolarHBondContact O-N 3.2Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 2.83Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3.01Å; I235-V238 PolarHBondContact O-N 2.95Å; I235-K239 HydrophobicContact CG2-CD 3.94Å; I235-K239 HydrophobicContact CG2-CG 4.24Å; I235-K239 WeakPolarHBondContact O-CB 3.46Å; I235-K239 VanDerWaalsContact O-CG 3.25Å; I235-K239 WeakPolarHBondContact O-CG 3.15Å; I235-K239 PolarHBondContact O-N 3.02Å; I235-L270 HydrophobicContact CB-CD2 4.34Å; I235-L270 HydrophobicContact CG1-CD2 3.86Å; I235-V277 HydrophobicContact CG2-CG2 3.92Å; I235-L280 HydrophobicContact CD1-CD2 4.06Å; I235-I361 HydrophobicContact CD1-CD1 3.65Å; I235-I361 HydrophobicContact CD1-CG1 4.02Å
236E96Very high94Very high133 Ų13352.7 Ų52.762%0.62126%0.259SS*.Hα-helixtrans-58.6-42.7178.4-71.2175.817300112.6N232 R233 K239 S240N232-E236 WeakPolarHBondContact O-CG 3.41Å; N232-E236 PolarHBondContact O-N 3.21Å; R233-E236 PolarHBondContact O-N 3.01Å; E236-K239 PolarHBondContact O-N 3.45Å; E236-S240 WeakPolarHBondContact O-CB 3.35Å; E236-S240 PolarHBondContact O-N 2.98Å
237L97Very high93.7Very high43 Ų4350.8 Ų50.823%0.22525%0.25CS..Hα-helixtrans-65.1-44.9177.8-72.5172.2000112.2L200 W201 R233 R234 I235 S240 A241L200-L237 HydrophobicContact CD1-CB 4.2Å; L200-L237 HydrophobicContact CD2-CB 4.06Å; L200-L237 HydrophobicContact CG-CB 4.04Å; W201-L237 HydrophobicContact CD2-CD1 3.51Å; W201-L237 HydrophobicContact CE3-CD1 3.27Å; W201-L237 HydrophobicContact CG-CD1 4.13Å; W201-L237 HydrophobicContact CH2-CD1 4.01Å; W201-L237 HydrophobicContact CZ2-CD1 4.23Å; W201-L237 HydrophobicContact CZ3-CD1 3.54Å; R233-L237 HydrophobicContact CG-CD1 4.3Å; R233-L237 WeakPolarHBondContact O-CG 3.38Å; R233-L237 PolarHBondContact O-N 2.82Å; R234-L237 PolarHBondContact O-N 3.2Å; I235-L237 VanDerWaalsContact C-N 3.33Å; I235-L237 PolarHBondContact O-N 3.01Å; L237-S240 PolarHBondContact O-N 3.43Å; L237-A241 VanDerWaalsContact O-CB 3.32Å; L237-A241 WeakPolarHBondContact O-CB 3.2Å; L237-A241 PolarHBondContact O-N 3.07Å
238V97.1Very high93.6Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-65.8-40.7178.3168.20000111.5L200 R234 I235 A241 S242 Y250 Y252 L270 A272L200-V238 HydrophobicContact CD2-CG2 3.83Å; R234-V238 WeakPolarHBondContact O-CG2 3.28Å; R234-V238 PolarHBondContact O-N 2.89Å; I235-V238 PolarHBondContact O-N 2.95Å; V238-A241 PolarHBondContact O-N 2.89Å; V238-S242 PolarHBondContact O-N 2.89Å; V238-Y250 HydrophobicContact CB-CD1 4.32Å; V238-Y250 HydrophobicContact CG1-CD1 3.76Å; V238-Y250 HydrophobicContact CG1-CG 4.41Å; V238-Y250 HydrophobicContact CG2-CD1 4.06Å; V238-Y250 HydrophobicContact CG2-CE1 4.02Å; V238-Y252 HydrophobicContact CG2-CD2 4.31Å; V238-Y252 HydrophobicContact CG2-CG 4.45Å; V238-L270 HydrophobicContact CB-CD2 3.64Å; V238-L270 HydrophobicContact CB-CG 4.25Å; V238-L270 HydrophobicContact CG1-CD2 3.84Å; V238-L270 HydrophobicContact CG1-CG 3.88Å; V238-L270 HydrophobicContact CG2-CD2 3.78Å; V238-L270 HydrophobicContact CG2-CG 4.46Å; V238-A272 HydrophobicContact CG1-CB 3.81Å
239K95.9Very high93.7Very high57 Ų5742 Ų4225%0.24821%0.208CC..Hα-helixtrans-58-50.7172.3-75.4-178.376.7-143.70111.2I235 E236 A241 S242 M243 D275 V277I235-K239 HydrophobicContact CG2-CD 3.94Å; I235-K239 HydrophobicContact CG2-CG 4.24Å; I235-K239 WeakPolarHBondContact O-CB 3.46Å; I235-K239 VanDerWaalsContact O-CG 3.25Å; I235-K239 WeakPolarHBondContact O-CG 3.15Å; I235-K239 PolarHBondContact O-N 3.02Å; E236-K239 PolarHBondContact O-N 3.45Å; K239-A241 PolarHBondContact O-N 3.14Å; K239-S242 PolarHBondContact O-N 3.28Å; K239-S242 PolarHBondContact O-OG 3.24Å; K239-M243 PolarHBondContact O-N 3.33Å; K239-D275 WeakPolarHBondContact CB-OD1 3.4Å; K239-D275 VanDerWaalsContact CE-CG 3.43Å; K239-D275 WeakPolarHBondContact CE-O 3.41Å; K239-D275 WeakPolarHBondContact CE-OD1 3.42Å; K239-D275 WeakPolarHBondContact CE-OD2 3.4Å; K239-D275 VanDerWaalsContact NZ-CG 3.34Å; K239-D275 IonicContact NZ-OD1 2.92Å; K239-D275 PolarHBondContact NZ-OD1 2.8Å; K239-D275 IonicContact NZ-OD2 3.65Å; K239-D275 PolarHBondContact NZ-OD2 3.17Å; K239-V277 HydrophobicContact CD-CG2 4.05Å; K239-V277 HydrophobicContact CG-CG2 3.73Å
240S96.3Very high93.9Very high70 Ų7034.9 Ų34.949%0.4918%0.181SC..Hα-helixtrans-59.6-44.7178-1710000112.1E236 L237 S242 M243 A244E236-S240 WeakPolarHBondContact O-CB 3.35Å; E236-S240 PolarHBondContact O-N 2.98Å; L237-S240 PolarHBondContact O-N 3.43Å; S240-S242 VanDerWaalsContact C-N 3.32Å; S240-S242 PolarHBondContact O-N 2.81Å; S240-M243 PolarHBondContact O-N 3.31Å; S240-A244 PolarHBondContact O-N 2.85Å
241A97.4Very high94Very high1 Ų133.5 Ų33.51%0.00818%0.175CC..Hα-helixtrans-60.8-39.4177.200000112.1L200 H207 Y211 L237 V238 K239 M243 A244 Y250L200-A241 HydrophobicContact CD1-CB 3.78Å; H207-A241 VanDerWaalsContact CE1-CB 3.44Å; H207-A241 WeakPolarHBondContact CE1-CB 3.12Å; Y211-A241 WeakPolarHBondContact CE2-O 3.41Å; L237-A241 VanDerWaalsContact O-CB 3.32Å; L237-A241 WeakPolarHBondContact O-CB 3.2Å; L237-A241 PolarHBondContact O-N 3.07Å; V238-A241 PolarHBondContact O-N 2.89Å; K239-A241 PolarHBondContact O-N 3.14Å; A241-M243 PolarHBondContact O-N 3.48Å; A241-A244 VanDerWaalsContact O-CB 3.31Å; A241-A244 WeakPolarHBondContact O-CB 3.34Å; A241-A244 PolarHBondContact O-N 3.35Å; A241-A244 VanDerWaalsContact O-N 3.1Å; A241-Y250 HydrophobicContact CB-CD2 3.48Å; A241-Y250 VanDerWaalsContact CB-CD2 3.48Å; A241-Y250 HydrophobicContact CB-CE2 3.67Å; A241-Y250 HydrophobicContact CB-CG 3.99Å
242S95.5Very high94.2Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-65.5-18.5176.377.10000114.3V238 K239 S240 D247 G248 S274 D275V238-S242 PolarHBondContact O-N 2.89Å; K239-S242 PolarHBondContact O-N 3.28Å; K239-S242 PolarHBondContact O-OG 3.24Å; S240-S242 VanDerWaalsContact C-N 3.32Å; S240-S242 PolarHBondContact O-N 2.81Å; S242-D247 CarbonylContact O-C 3.57Å; S242-G248 PolarHBondContact O-N 2.91Å; S242-S274 PolarHBondContact OG-N 3.37Å; S242-D275 PolarHBondContact OG-N 2.86Å
243M93.4Very high94.4Very high89 Ų8930.5 Ų30.544%0.43816%0.159SC..Hα-helixtrans-92.5-13.2173.5-71.9-163.1-69.800113.9K239 S240 A241 N245 G246 D275K239-M243 PolarHBondContact O-N 3.33Å; S240-M243 PolarHBondContact O-N 3.31Å; A241-M243 PolarHBondContact O-N 3.48Å; M243-N245 PolarHBondContact O-N 3.24Å; M243-G246 PolarHBondContact O-N 2.89Å; M243-D275 HydrophobicContact CE-CB 4.07Å; M243-D275 HydrophobicContact CG-CB 3.65Å; M243-D275 HydrophobicContact SD-CB 3.57Å; M243-D275 VanDerWaalsContact SD-CB 3.57Å
244A91.4Very high94.5Very high19 Ų1923.4 Ų23.416%0.15713%0.132CC..G310 helixtrans-58.7133.3-171.800000111Y211 S240 A241 G246Y211-A244 HydrophobicContact CD2-CB 3.92Å; Y211-A244 HydrophobicContact CE2-CB 4.34Å; S240-A244 PolarHBondContact O-N 2.85Å; A241-A244 VanDerWaalsContact O-CB 3.31Å; A241-A244 WeakPolarHBondContact O-CB 3.34Å; A241-A244 PolarHBondContact O-N 3.35Å; A241-A244 VanDerWaalsContact O-N 3.1Å; A244-G246 VanDerWaalsContact C-N 3.28Å; A244-G246 PolarHBondContact O-N 3.37Å
245N83.2Confident94.6Very high28 Ų2823.4 Ų23.415%0.1513%0.132CC..G310 helixtrans49.547.2-172.3-68.3-54.5000113.1I208 M243 D247 F311I208-N245 PolarHBondContact O-ND2 2.76Å; M243-N245 PolarHBondContact O-N 3.24Å; N245-D247 PolarHBondContact O-N 2.86Å; N245-F311 HydrophobicContact CB-CD2 4.26Å; N245-F311 WeakPolarHBondContact O-CB 3.31Å; N245-F311 WeakPolarHBondContact O-CD2 3.45Å; N245-F311 WeakPolarHBondContact O-CG 3.46Å
246G80.4Confident94.7Very high32 Ų3223.6 Ų23.633%0.3313%0.132SC..G310 helixtrans97.5-41.3162.400000115.4M243 A244 S308M243-G246 PolarHBondContact O-N 2.89Å; A244-G246 VanDerWaalsContact C-N 3.28Å; A244-G246 PolarHBondContact O-N 3.37Å; G246-S308 VanDerWaalsContact CA-OG 3.31Å; G246-S308 WeakPolarHBondContact CA-OG 3.35Å
247D89.4Confident94.7Very high0 Ų017.3 Ų17.30%010%0.102CC..  trans-177.9157.7168.3-162.413.2000111.3S242 N245 S274 R304 R305S242-D247 CarbonylContact O-C 3.57Å; N245-D247 PolarHBondContact O-N 2.86Å; D247-S274 VanDerWaalsContact OD1-CA 3.23Å; D247-S274 WeakPolarHBondContact OD1-CA 3.14Å; D247-S274 VanDerWaalsContact OD1-CB 3.28Å; D247-S274 WeakPolarHBondContact OD1-CB 3.03Å; D247-S274 PolarHBondContact OD1-N 3.48Å; D247-S274 VanDerWaalsContact OD1-N 3.1Å; D247-S274 PolarHBondContact OD1-OG 3.22Å; D247-S274 PolarHBondContact OD2-OG 2.78Å; D247-R304 HydrophobicContact CB-CB 4.19Å; D247-R304 IonicContact OD2-CZ 3.82Å; D247-R304 VanDerWaalsContact OD2-CZ 3.29Å; D247-R304 IonicContact OD2-NE 3.98Å; D247-R304 PolarHBondContact OD2-NE 3.13Å; D247-R304 IonicContact OD2-NH2 2.83Å; D247-R304 PolarHBondContact OD2-NH2 3.06Å; D247-R305 HydrophobicContact CB-CG 4.07Å; D247-R305 PolarHBondContact O-NE 2.8Å; D247-R305 PolarHBondContact O-NH2 3.48Å
248G93.3Very high94.7Very high0 Ų015.5 Ų15.50%09%0.093CC..  trans-175.9164.617200000112.8S242S242-G248 PolarHBondContact O-N 2.91Å
249F96.1Very high94.7Very high0 Ų015.6 Ų15.60%09%0.094CC..EExtended strand (participates in β ladder)trans-91.4120.3168.6172-132.1000109.8F15 V17 Y211 D216 A217 V218 L219 A251 A271 V273 I278 V294 V296 L301F15-F249 HydrophobicContact CE2-CD1 4.27Å; F15-F249 HydrophobicContact CE2-CE1 4.43Å; F15-F249 HydrophobicContact CZ-CD1 4Å; V17-F249 HydrophobicContact CB-CE1 4.36Å; V17-F249 HydrophobicContact CG2-CE1 3.98Å; Y211-F249 PolarHBondContact OH-O 3.35Å; Y211-F249 VanDerWaalsContact OH-O 3.08Å; D216-F249 PolarHBondContact O-N 3.02Å; D216-F249 VanDerWaalsContact O-N 3.12Å; A217-F249 CarbonylContact C-O 3.57Å; A217-F249 WeakPolarHBondContact CA-O 3.35Å; A217-F249 HydrophobicContact CB-CB 3.82Å; A217-F249 HydrophobicContact CB-CD1 3.45Å; A217-F249 VanDerWaalsContact CB-CD1 3.45Å; A217-F249 HydrophobicContact CB-CE1 4.45Å; A217-F249 HydrophobicContact CB-CG 4.06Å; V218-F249 PolarHBondContact N-O 2.67Å; L219-F249 HydrophobicContact CD2-CE1 4.19Å; F249-A251 HydrophobicContact CE1-CB 4.13Å; F249-A251 HydrophobicContact CE2-CB 4.12Å; F249-A251 HydrophobicContact CZ-CB 3.65Å; F249-A271 HydrophobicContact CE2-CB 3.71Å; F249-A271 HydrophobicContact CZ-CB 4.23Å; F249-V273 HydrophobicContact CB-CG2 4.14Å; F249-V273 HydrophobicContact CD2-CG2 3.7Å; F249-V273 HydrophobicContact CG-CG2 4.36Å; F249-I278 HydrophobicContact CD2-CD1 4.37Å; F249-I278 HydrophobicContact CE2-CD1 4.08Å; F249-V294 HydrophobicContact CE2-CG1 4.03Å; F249-V294 HydrophobicContact CZ-CB 4.31Å; F249-V294 HydrophobicContact CZ-CG1 4.09Å; F249-V296 HydrophobicContact CB-CG1 4.23Å; F249-V296 HydrophobicContact CB-CG2 4.47Å; F249-V296 HydrophobicContact CD1-CG2 3.81Å; F249-V296 HydrophobicContact CD2-CG2 3.77Å; F249-V296 HydrophobicContact CE1-CG2 3.91Å; F249-V296 HydrophobicContact CE2-CG2 3.82Å; F249-V296 HydrophobicContact CG-CG1 4.39Å; F249-V296 HydrophobicContact CG-CG2 3.77Å; F249-V296 HydrophobicContact CZ-CG2 3.9Å; F249-L301 HydrophobicContact CB-CD1 4.1Å
250Y98.1Very high94.5Very high0 Ų014.2 Ų14.20%09%0.091CC..EExtended strand (participates in β ladder)trans-114.5129173.3-160.7-76.4000109.5E195 L200 H207 V218 N220 V238 A241 A271 A272E195-Y250 WeakPolarHBondContact OE2-CE2 3.15Å; E195-Y250 VanDerWaalsContact OE2-CZ 3.26Å; E195-Y250 PolarHBondContact OE2-OH 3.11Å; L200-Y250 HydrophobicContact CD1-CE2 4.35Å; L200-Y250 HydrophobicContact CD2-CE1 4.32Å; H207-Y250 HydrophobicContact CB-CE2 4.32Å; H207-Y250 AromaticContact ND1-CE2 3.97Å; V218-Y250 HydrophobicContact CB-CD2 3.79Å; V218-Y250 HydrophobicContact CB-CE2 3.93Å; V218-Y250 HydrophobicContact CG1-CD2 3.96Å; V218-Y250 HydrophobicContact CG1-CE2 3.55Å; V218-Y250 WeakPolarHBondContact O-CA 3.25Å; N220-Y250 HydrophobicContact CB-CE1 3.74Å; N220-Y250 WeakPolarHBondContact CB-OH 3.3Å; N220-Y250 PolarHBondContact ND2-OH 2.82Å; V238-Y250 HydrophobicContact CB-CD1 4.32Å; V238-Y250 HydrophobicContact CG1-CD1 3.76Å; V238-Y250 HydrophobicContact CG1-CG 4.41Å; V238-Y250 HydrophobicContact CG2-CD1 4.06Å; V238-Y250 HydrophobicContact CG2-CE1 4.02Å; A241-Y250 HydrophobicContact CB-CD2 3.48Å; A241-Y250 VanDerWaalsContact CB-CD2 3.48Å; A241-Y250 HydrophobicContact CB-CE2 3.67Å; A241-Y250 HydrophobicContact CB-CG 3.99Å; Y250-A271 CarbonylContact O-C 3.59Å; Y250-A271 WeakPolarHBondContact O-CA 3.18Å; Y250-A272 PolarHBondContact N-O 2.86Å; Y250-A272 PolarHBondContact O-N 3.46Å
251A97.8Very high94Very high1 Ų113.3 Ų13.31%0.0089%0.093CC..EExtended strand (participates in β ladder)trans-127.8148.617500000111.5L19 V218 L219 N220 F249 L270 A271L19-A251 HydrophobicContact CD1-CB 4.23Å; L19-A251 HydrophobicContact CD2-CB 3.57Å; V218-A251 PolarHBondContact O-N 3.32Å; L219-A251 CarbonylContact C-O 3.5Å; L219-A251 HydrophobicContact CD2-CB 3.8Å; N220-A251 WeakPolarHBondContact CB-O 3.09Å; N220-A251 PolarHBondContact N-O 2.84Å; F249-A251 HydrophobicContact CE1-CB 4.13Å; F249-A251 HydrophobicContact CE2-CB 4.12Å; F249-A251 HydrophobicContact CZ-CB 3.65Å; A251-L270 CarbonylContact C-O 3.58Å; A251-L270 WeakPolarHBondContact CA-O 3.33Å; A251-A271 HydrophobicContact CB-CB 4.26Å
252Y98Very high93.6Very high0 Ų024.3 Ų24.30%013%0.134CC..EExtended strand (participates in β ladder)trans-135.3134.2-172.1-175.7-83.2000109.2L200 N220 S222 S224 R234 V238 N254 A269 L270L200-Y252 HydrophobicContact CD2-CD2 4.39Å; L200-Y252 HydrophobicContact CD2-CE2 4.5Å; N220-Y252 HydrophobicContact CB-CD2 3.91Å; N220-Y252 WeakPolarHBondContact O-CA 3.3Å; S222-Y252 WeakPolarHBondContact CB-OH 3.45Å; S222-Y252 WeakPolarHBondContact OG-CE2 3.07Å; S222-Y252 PolarHBondContact OG-OH 2.94Å; S224-Y252 WeakPolarHBondContact CB-OH 3.37Å; R234-Y252 VanDerWaalsContact CD-CE1 3.47Å; R234-Y252 HydrophobicContact CG-CE1 4.41Å; R234-Y252 HydrophobicContact CG-CE2 4.42Å; R234-Y252 PolarHBondContact NE-OH 3.33Å; V238-Y252 HydrophobicContact CG2-CD2 4.31Å; V238-Y252 HydrophobicContact CG2-CG 4.45Å; Y252-N254 HydrophobicContact CE1-CB 3.98Å; Y252-A269 CarbonylContact O-C 3.48Å; Y252-A269 VanDerWaalsContact O-CA 3.25Å; Y252-A269 WeakPolarHBondContact O-CA 3.2Å; Y252-L270 PolarHBondContact N-O 3.1Å; Y252-L270 PolarHBondContact O-N 3.36Å
253T98.2Very high93.6Very high0 Ų025.2 Ų25.20%014%0.142CC..EExtended strand (participates in β ladder)trans-128.7154.9174.555.40000110.3L19 C20 V52 G53 N220 S222L19-T253 HydrophobicContact CB-CG2 3.78Å; L19-T253 HydrophobicContact CD2-CG2 4.14Å; C20-T253 WeakPolarHBondContact O-CB 3.08Å; V52-T253 HydrophobicContact CB-CG2 4.44Å; V52-T253 HydrophobicContact CG1-CG2 3.65Å; V52-T253 HydrophobicContact CG2-CG2 4.22Å; G53-T253 PolarHBondContact O-OG1 2.92Å; N220-T253 PolarHBondContact O-N 2.71Å; N220-T253 PolarHBondContact O-OG1 2.97Å; S222-T253 WeakPolarHBondContact CA-O 3.25Å; S222-T253 VanDerWaalsContact CB-O 3.22Å; S222-T253 WeakPolarHBondContact CB-O 3.47Å; S222-T253 PolarHBondContact N-O 3.48Å
254N98.2Very high93.7Very high0 Ų021.6 Ų21.60%013%0.125CC..  trans-144.7160.4-174.6-157.113.6000111.9V21 P54 S222 A223 S224 R234 Y252 D266 G267V21-N254 WeakPolarHBondContact CA-O 3.38Å; P54-N254 VanDerWaalsContact CG-C 3.48Å; P54-N254 VanDerWaalsContact CG-O 3.22Å; P54-N254 WeakPolarHBondContact CG-O 3.28Å; S222-N254 WeakPolarHBondContact O-CA 3.34Å; S222-N254 PolarHBondContact O-OD1 3.01Å; A223-N254 VanDerWaalsContact CA-OD1 3.28Å; A223-N254 WeakPolarHBondContact CA-OD1 3.23Å; A223-N254 PolarHBondContact N-OD1 3.23Å; S224-N254 PolarHBondContact N-OD1 3.29Å; S224-N254 PolarHBondContact O-ND2 2.87Å; R234-N254 PolarHBondContact NH1-ND2 2.78Å; Y252-N254 HydrophobicContact CE1-CB 3.98Å; N254-D266 PolarHBondContact ND2-OD1 2.84Å; N254-G267 WeakPolarHBondContact CB-O 3.31Å; N254-G267 PolarHBondContact ND2-O 3.25Å
255L98Very high94Very high1 Ų121 Ų211%0.00512%0.119CC..BIsolated β-bridgetrans-65.3161.6161-69.3178.3000110.6L22 Q24 P54 S222 A223 Y265 G267L22-L255 WeakPolarHBondContact O-CA 3.4Å; Q24-L255 HydrophobicContact CB-CD2 3.91Å; Q24-L255 HydrophobicContact CG-CD2 3.67Å; P54-L255 HydrophobicContact CB-CD2 3.58Å; P54-L255 HydrophobicContact CB-CG 3.78Å; P54-L255 HydrophobicContact CG-CD2 3.99Å; S222-L255 PolarHBondContact O-N 3.03Å; A223-L255 HydrophobicContact CB-CD1 3.72Å; A223-L255 HydrophobicContact CB-CG 4.19Å; L255-Y265 VanDerWaalsContact C-CB 3.41Å; L255-Y265 HydrophobicContact CB-CD1 4.02Å; L255-Y265 HydrophobicContact CB-CD2 3.84Å; L255-Y265 HydrophobicContact CB-CG 3.6Å; L255-Y265 HydrophobicContact CD1-CD1 4.49Å; L255-Y265 HydrophobicContact CD1-CD2 4.32Å; L255-Y265 HydrophobicContact CD1-CE1 4.3Å; L255-Y265 HydrophobicContact CD1-CE2 4.18Å; L255-Y265 WeakPolarHBondContact O-CB 2.89Å; L255-G267 VanDerWaalsContact O-CA 3.3Å; L255-G267 WeakPolarHBondContact O-CA 3.34Å; L255-G267 PolarHBondContact O-N 3.45Å
256R97.5Very high94.6Very high22 Ų2219.7 Ų19.78%0.08311%0.112CC..EExtended strand (participates in β ladder)trans-132.7151.2170.4175.916971.1-164.1-8110.2V21 L22 N23 Y265 G285 G287 L374V21-R256 HydrophobicContact CG1-CB 3.42Å; V21-R256 VanDerWaalsContact CG1-CB 3.42Å; V21-R256 HydrophobicContact CG1-CG 4.37Å; L22-R256 PolarHBondContact O-N 3.13Å; N23-R256 VanDerWaalsContact CA-O 3.25Å; N23-R256 WeakPolarHBondContact CA-O 3.22Å; N23-R256 PolarHBondContact OD1-O 2.54Å; R256-Y265 CarbonylContact C-O 3.33Å; R256-Y265 WeakPolarHBondContact CA-O 3.1Å; R256-G285 WeakPolarHBondContact CD-O 3.35Å; R256-G285 PolarHBondContact NE-O 3.37Å; R256-G287 VanDerWaalsContact CZ-O 3.22Å; R256-G287 PolarHBondContact NE-O 3.4Å; R256-G287 VanDerWaalsContact NE-O 3.16Å; R256-G287 PolarHBondContact NH2-O 3.4Å; R256-L374 HydrophobicContact CG-CD2 4Å
257G97.5Very high95.3Very high0 Ų018.2 Ų18.20%010%0.097CC..EExtended strand (participates in β ladder)trans82.6-163.4173.700000113.3C264 Y265 D378G257-C264 CarbonylContact O-C 3.51Å; G257-C264 WeakPolarHBondContact O-CA 3.42Å; G257-Y265 PolarHBondContact N-O 2.91Å; G257-Y265 VanDerWaalsContact O-CD2 3.25Å; G257-Y265 WeakPolarHBondContact O-CD2 3.32Å; G257-Y265 PolarHBondContact O-N 3.45Å; G257-D378 WeakPolarHBondContact CA-OD2 3.2Å
258C96.7Very high95.6Very high6 Ų618.2 Ų18.24%0.04110%0.097CC..  trans-106.3100.7-178.5-179.10000111A263 W375 D378 R382C258-A263 PolarHBondContact SG-O 2.96Å; C258-W375 HydrophobicContact CB-CG 4.38Å; C258-W375 PolarHBondContact SG-NE1 3.44Å; C258-D378 HydrophobicContact CB-CB 3.88Å; C258-D378 PolarHBondContact N-OD2 3.45Å; C258-R382 PolarHBondContact O-NH1 3.46Å
259D95.8Very high95.7Very high2 Ų218.3 Ų18.31%0.01110%0.097CC..  trans-79.5-28.1-177.387.2-31.4000114.8Q24 W25 A26 S60 Y61 G62 Y265Q24-D259 WeakPolarHBondContact O-CA 3.5Å; Q24-D259 WeakPolarHBondContact O-CB 3.05Å; W25-D259 VanDerWaalsContact CD1-O 3.24Å; A26-D259 PolarHBondContact N-O 2.85Å; S60-D259 WeakPolarHBondContact CB-OD2 3.28Å; S60-D259 WeakPolarHBondContact OG-CB 3.35Å; S60-D259 VanDerWaalsContact OG-CG 3.31Å; S60-D259 PolarHBondContact OG-OD2 2.82Å; Y61-D259 PolarHBondContact N-OD2 2.89Å; Y61-D259 VanDerWaalsContact N-OD2 3.14Å; G62-D259 PolarHBondContact N-OD2 2.74Å; D259-Y265 HydrophobicContact CB-CD2 4.48Å; D259-Y265 HydrophobicContact CB-CE2 3.81Å; D259-Y265 WeakPolarHBondContact OD1-CE2 3.49Å; D259-Y265 PolarHBondContact OD1-OH 2.52Å
260S91.6Very high95.7Very high28 Ų2818.3 Ų18.320%0.19610%0.097CC..SBendtrans-164.9164.9169.275.30000109.9G62 R262G62-S260 WeakPolarHBondContact CA-OG 3.48Å; G62-S260 VanDerWaalsContact O-CB 3.25Å; G62-S260 WeakPolarHBondContact O-CB 3.22Å; G62-S260 PolarHBondContact O-OG 2.97Å; S260-R262 PolarHBondContact O-N 2.83Å
261G85.6Confident95.6Very high51 Ų5118.3 Ų18.353%0.52610%0.097SC..THydrogen-bonded Turntrans51.7-120.6166.800000114.5
262R90.9Very high95.5Very high231 Ų23118.2 Ų18.287%0.87210%0.097SC*.THydrogen-bonded Turntrans-111.1-13.5-167.2-56.8-177.9-174.3-155.40.8114.1S260S260-R262 PolarHBondContact O-N 2.83Å
263A94.1Very high95.2Very high20 Ų2019 Ų1917%0.16510%0.101CC..  trans-79.7145.1-177.400000110.6H225 C258H225-A263 HydrophobicContact CB-CB 4.27Å; C258-A263 PolarHBondContact SG-O 2.96Å
264C95.8Very high94.8Very high12 Ų1220.5 Ų20.58%0.08111%0.112CC..  trans-123.6130.3167.6-174.10000107H226 G257 W375H226-C264 VanDerWaalsContact CB-O 3.27Å; H226-C264 WeakPolarHBondContact CB-O 2.99Å; H226-C264 PolarHBondContact N-O 2.9Å; G257-C264 CarbonylContact O-C 3.51Å; G257-C264 WeakPolarHBondContact O-CA 3.42Å; C264-W375 HydrophobicContact CB-CB 4.18Å; C264-W375 HydrophobicContact CB-CG 4.48Å
265Y97.4Very high94.5Very high7 Ų723.2 Ų23.23%0.02713%0.126CC..EExtended strand (participates in β ladder)trans-96.5138.4174.1-48.1-91.2000109.1Y61 A223 H225 L255 R256 G257 D259Y61-Y265 HydrophobicContact CD1-CE1 4.33Å; Y61-Y265 WeakPolarHBondContact CD1-OH 3.4Å; A223-Y265 HydrophobicContact CB-CD1 4.4Å; A223-Y265 HydrophobicContact CB-CE1 3.99Å; A223-Y265 WeakPolarHBondContact O-CE1 3.24Å; H225-Y265 HydrophobicContact CB-CD1 4.31Å; H225-Y265 HydrophobicContact CB-CE1 4.36Å; L255-Y265 VanDerWaalsContact C-CB 3.41Å; L255-Y265 HydrophobicContact CB-CD1 4.02Å; L255-Y265 HydrophobicContact CB-CD2 3.84Å; L255-Y265 HydrophobicContact CB-CG 3.6Å; L255-Y265 HydrophobicContact CD1-CD1 4.49Å; L255-Y265 HydrophobicContact CD1-CD2 4.32Å; L255-Y265 HydrophobicContact CD1-CE1 4.3Å; L255-Y265 HydrophobicContact CD1-CE2 4.18Å; L255-Y265 WeakPolarHBondContact O-CB 2.89Å; R256-Y265 CarbonylContact C-O 3.33Å; R256-Y265 WeakPolarHBondContact CA-O 3.1Å; G257-Y265 PolarHBondContact N-O 2.91Å; G257-Y265 VanDerWaalsContact O-CD2 3.25Å; G257-Y265 WeakPolarHBondContact O-CD2 3.32Å; G257-Y265 PolarHBondContact O-N 3.45Å; D259-Y265 HydrophobicContact CB-CD2 4.48Å; D259-Y265 HydrophobicContact CB-CE2 3.81Å; D259-Y265 WeakPolarHBondContact OD1-CE2 3.49Å; D259-Y265 PolarHBondContact OD1-OH 2.52Å
266D96.6Very high94.2Very high1 Ų129.6 Ų29.61%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-88.1-7.4-170.560.4-4.6000114.1H226 R234 N254 C268 Q283 F284H226-D266 HydrophobicContact CB-CB 4.23Å; R234-D266 IonicContact CZ-OD1 3.6Å; R234-D266 IonicContact CZ-OD2 2.82Å; R234-D266 IonicContact NH1-OD1 2.92Å; R234-D266 PolarHBondContact NH1-OD1 2.92Å; R234-D266 IonicContact NH1-OD2 2.72Å; R234-D266 IonicContact NH2-OD1 3.17Å; R234-D266 PolarHBondContact NH2-OD1 3.1Å; R234-D266 VanDerWaalsContact NH2-OD1 3.13Å; R234-D266 IonicContact NH2-OD2 3.58Å; N254-D266 PolarHBondContact ND2-OD1 2.84Å; D266-C268 PolarHBondContact O-N 3.26Å; D266-Q283 HydrophobicContact CB-CG 3.92Å; D266-F284 HydrophobicContact CB-CD1 4.12Å; D266-F284 HydrophobicContact CB-CE1 3.7Å; D266-F284 HydrophobicContact CB-CZ 4.22Å; D266-F284 PolarHBondContact O-N 3.32Å
267G95.6Very high94Very high1 Ų129.6 Ų29.61%0.0116%0.158CC..BIsolated β-bridgetrans71.3-114.7-167.100000110.4R234 N254 L255R234-G267 PolarHBondContact NH1-O 2.87Å; N254-G267 WeakPolarHBondContact CB-O 3.31Å; N254-G267 PolarHBondContact ND2-O 3.25Å; L255-G267 VanDerWaalsContact O-CA 3.3Å; L255-G267 WeakPolarHBondContact O-CA 3.34Å; L255-G267 PolarHBondContact O-N 3.45Å
268C94.4Very high93.7Very high0 Ų030.2 Ų30.20%016%0.162CC..  trans55.361.8-175.5-650000113.1L231 D266 L270 L280 S281 Q283L231-C268 HydrophobicContact CD1-CB 3.68Å; D266-C268 PolarHBondContact O-N 3.26Å; C268-L270 PolarHBondContact O-N 3.49Å; C268-L280 HydrophobicContact CB-CD1 4.21Å; C268-S281 VanDerWaalsContact CA-OG 3.28Å; C268-S281 WeakPolarHBondContact CA-OG 3.4Å; C268-S281 PolarHBondContact N-OG 2.91Å; C268-Q283 WeakPolarHBondContact SG-CA 3.48Å; C268-Q283 WeakPolarHBondContact SG-CB 3.43Å; C268-Q283 WeakPolarHBondContact SG-CG 3.42Å
269A95.7Very high93.6Very high1 Ų130.4 Ų30.41%0.00816%0.162CC..  trans-58.2137.2161.100000109.1L19 V21 Y252 F279 L280 S281L19-A269 HydrophobicContact CB-CB 3.92Å; V21-A269 HydrophobicContact CG2-CB 3.63Å; Y252-A269 CarbonylContact O-C 3.48Å; Y252-A269 VanDerWaalsContact O-CA 3.25Å; Y252-A269 WeakPolarHBondContact O-CA 3.2Å; A269-F279 HydrophobicContact CB-CE1 4Å; A269-L280 CarbonylContact O-C 3.52Å; A269-L280 WeakPolarHBondContact O-CA 3.08Å; A269-S281 PolarHBondContact N-OG 3.34Å; A269-S281 PolarHBondContact O-N 2.5Å
270L95.7Very high93.5Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-141.8141.1-168.8170.761.9000109I235 V238 A251 Y252 C268 V277 F279 L280I235-L270 HydrophobicContact CB-CD2 4.34Å; I235-L270 HydrophobicContact CG1-CD2 3.86Å; V238-L270 HydrophobicContact CB-CD2 3.64Å; V238-L270 HydrophobicContact CB-CG 4.25Å; V238-L270 HydrophobicContact CG1-CD2 3.84Å; V238-L270 HydrophobicContact CG1-CG 3.88Å; V238-L270 HydrophobicContact CG2-CD2 3.78Å; V238-L270 HydrophobicContact CG2-CG 4.46Å; A251-L270 CarbonylContact C-O 3.58Å; A251-L270 WeakPolarHBondContact CA-O 3.33Å; Y252-L270 PolarHBondContact N-O 3.1Å; Y252-L270 PolarHBondContact O-N 3.36Å; C268-L270 PolarHBondContact O-N 3.49Å; L270-V277 HydrophobicContact CD1-CB 4.39Å; L270-V277 HydrophobicContact CD1-CG1 3.55Å; L270-V277 HydrophobicContact CD1-CG2 4.03Å; L270-F279 WeakPolarHBondContact CA-O 3.17Å; L270-F279 WeakPolarHBondContact CD1-O 3.17Å; L270-L280 HydrophobicContact CB-CD1 4.26Å; L270-L280 HydrophobicContact CD1-CB 4.33Å; L270-L280 HydrophobicContact CD1-CD1 4.1Å
271A96.1Very high93.5Very high0 Ų029.9 Ų29.90%016%0.157CC..EExtended strand (participates in β ladder)trans-139.2138.9174.300000110.7L19 F249 Y250 A251 I278 F279 V294L19-A271 HydrophobicContact CD1-CB 3.86Å; F249-A271 HydrophobicContact CE2-CB 3.71Å; F249-A271 HydrophobicContact CZ-CB 4.23Å; Y250-A271 CarbonylContact O-C 3.59Å; Y250-A271 WeakPolarHBondContact O-CA 3.18Å; A251-A271 HydrophobicContact CB-CB 4.26Å; A271-I278 HydrophobicContact CB-CG1 4.06Å; A271-I278 WeakPolarHBondContact O-CG1 3Å; A271-I278 PolarHBondContact O-N 3.31Å; A271-F279 HydrophobicContact CB-CB 4Å; A271-F279 PolarHBondContact N-O 3.07Å; A271-F279 PolarHBondContact O-N 2.97Å; A271-V294 HydrophobicContact CB-CG1 4.28Å; A271-V294 HydrophobicContact CB-CG2 3.97Å
272A95.2Very high93.8Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-137.7150179.800000112.4V238 Y250 Q276V238-A272 HydrophobicContact CG1-CB 3.81Å; Y250-A272 PolarHBondContact N-O 2.86Å; Y250-A272 PolarHBondContact O-N 3.46Å; A272-Q276 CarbonylContact C-O 3.6Å; A272-Q276 WeakPolarHBondContact CA-O 3.25Å; A272-Q276 WeakPolarHBondContact CB-O 3.34Å
273V93.7Very high93.8Very high15 Ų1522.1 Ų22.19%0.09113%0.126CC..EExtended strand (participates in β ladder)trans-137127.4173.3172.10000107.6F249 D275 Q276 I278 V296 L301F249-V273 HydrophobicContact CB-CG2 4.14Å; F249-V273 HydrophobicContact CD2-CG2 3.7Å; F249-V273 HydrophobicContact CG-CG2 4.36Å; V273-D275 PolarHBondContact O-N 2.75Å; V273-Q276 PolarHBondContact N-O 3.11Å; V273-Q276 WeakPolarHBondContact O-CA 3.43Å; V273-Q276 WeakPolarHBondContact O-CB 3.47Å; V273-Q276 PolarHBondContact O-N 3.14Å; V273-I278 HydrophobicContact CB-CG2 4.46Å; V273-I278 HydrophobicContact CG2-CD1 3.7Å; V273-V296 HydrophobicContact CG2-CG1 4.47Å; V273-L301 HydrophobicContact CG1-CD2 3.51Å; V273-L301 HydrophobicContact CG2-CD2 4.34Å
274S89.2Confident93.9Very high32 Ų3222 Ų2222%0.22412%0.122CC..THydrogen-bonded Turntrans53.447.4174.9-40.90000115.2S242 D247 Q276 R304S242-S274 PolarHBondContact OG-N 3.37Å; D247-S274 VanDerWaalsContact OD1-CA 3.23Å; D247-S274 WeakPolarHBondContact OD1-CA 3.14Å; D247-S274 VanDerWaalsContact OD1-CB 3.28Å; D247-S274 WeakPolarHBondContact OD1-CB 3.03Å; D247-S274 PolarHBondContact OD1-N 3.48Å; D247-S274 VanDerWaalsContact OD1-N 3.1Å; D247-S274 PolarHBondContact OD1-OG 3.22Å; D247-S274 PolarHBondContact OD2-OG 2.78Å; S274-Q276 PolarHBondContact O-N 2.93Å; S274-R304 PolarHBondContact OG-NE 3.39Å; S274-R304 VanDerWaalsContact OG-NE 3.11Å; S274-R304 PolarHBondContact OG-NH2 2.78Å
275D90.7Very high93.7Very high57 Ų5722.3 Ų22.331%0.30513%0.128SC..THydrogen-bonded Turntrans67.20.2-171.6-159.752.8000114.8K239 S242 M243 V273K239-D275 WeakPolarHBondContact CB-OD1 3.4Å; K239-D275 VanDerWaalsContact CE-CG 3.43Å; K239-D275 WeakPolarHBondContact CE-O 3.41Å; K239-D275 WeakPolarHBondContact CE-OD1 3.42Å; K239-D275 WeakPolarHBondContact CE-OD2 3.4Å; K239-D275 VanDerWaalsContact NZ-CG 3.34Å; K239-D275 IonicContact NZ-OD1 2.92Å; K239-D275 PolarHBondContact NZ-OD1 2.8Å; K239-D275 IonicContact NZ-OD2 3.65Å; K239-D275 PolarHBondContact NZ-OD2 3.17Å; S242-D275 PolarHBondContact OG-N 2.86Å; M243-D275 HydrophobicContact CE-CB 4.07Å; M243-D275 HydrophobicContact CG-CB 3.65Å; M243-D275 HydrophobicContact SD-CB 3.57Å; M243-D275 VanDerWaalsContact SD-CB 3.57Å; V273-D275 PolarHBondContact O-N 2.75Å
276Q91.7Very high93.6Very high136 Ų13627.9 Ų27.964%0.63615%0.152SC*.EExtended strand (participates in β ladder)trans-100.4120.2-179.4-60.9-171.9-31.700109.4A272 V273 S274 I278A272-Q276 CarbonylContact C-O 3.6Å; A272-Q276 WeakPolarHBondContact CA-O 3.25Å; A272-Q276 WeakPolarHBondContact CB-O 3.34Å; V273-Q276 PolarHBondContact N-O 3.11Å; V273-Q276 WeakPolarHBondContact O-CA 3.43Å; V273-Q276 WeakPolarHBondContact O-CB 3.47Å; V273-Q276 PolarHBondContact O-N 3.14Å; S274-Q276 PolarHBondContact O-N 2.93Å; Q276-I278 PolarHBondContact O-N 2.7Å
277V93.4Very high93.6Very high21 Ų2129.5 Ų29.513%0.12717%0.169CC..EExtended strand (participates in β ladder)trans-65.7118166.31750000107.3I235 K239 L270 L280 V357 T359I235-V277 HydrophobicContact CG2-CG2 3.92Å; K239-V277 HydrophobicContact CD-CG2 4.05Å; K239-V277 HydrophobicContact CG-CG2 3.73Å; L270-V277 HydrophobicContact CD1-CB 4.39Å; L270-V277 HydrophobicContact CD1-CG1 3.55Å; L270-V277 HydrophobicContact CD1-CG2 4.03Å; V277-L280 HydrophobicContact CG1-CB 4.32Å; V277-V357 HydrophobicContact CG1-CG1 4.24Å; V277-V357 WeakPolarHBondContact O-CG1 3.2Å; V277-T359 HydrophobicContact CB-CG2 4.1Å; V277-T359 HydrophobicContact CG1-CG2 3.84Å
278I92.3Very high93.6Very high14 Ų1431.3 Ų31.37%0.07218%0.178CC..EExtended strand (participates in β ladder)trans-104.9-8.7177.961.8169.4000112F249 A271 V273 Q276 V294 V296 V357F249-I278 HydrophobicContact CD2-CD1 4.37Å; F249-I278 HydrophobicContact CE2-CD1 4.08Å; A271-I278 HydrophobicContact CB-CG1 4.06Å; A271-I278 WeakPolarHBondContact O-CG1 3Å; A271-I278 PolarHBondContact O-N 3.31Å; V273-I278 HydrophobicContact CB-CG2 4.46Å; V273-I278 HydrophobicContact CG2-CD1 3.7Å; Q276-I278 PolarHBondContact O-N 2.7Å; I278-V294 HydrophobicContact CD1-CG1 3.39Å; I278-V294 HydrophobicContact CG1-CG1 4.07Å; I278-V296 HydrophobicContact CD1-CG2 4.49Å; I278-V357 WeakPolarHBondContact O-CG2 3.39Å
279F93.7Very high93.8Very high10 Ų1032.6 Ų32.64%0.04419%0.186CC..EExtended strand (participates in β ladder)trans-160.1137.1174.8177.1-108.8000110.7L19 A269 L270 A271 E292 V294 P355L19-F279 HydrophobicContact CD1-CD1 3.77Å; L19-F279 HydrophobicContact CD1-CE1 4.2Å; A269-F279 HydrophobicContact CB-CE1 4Å; L270-F279 WeakPolarHBondContact CA-O 3.17Å; L270-F279 WeakPolarHBondContact CD1-O 3.17Å; A271-F279 HydrophobicContact CB-CB 4Å; A271-F279 PolarHBondContact N-O 3.07Å; A271-F279 PolarHBondContact O-N 2.97Å; F279-E292 HydrophobicContact CE1-CB 3.86Å; F279-E292 HydrophobicContact CE1-CG 4.46Å; F279-E292 HydrophobicContact CE2-CB 3.88Å; F279-E292 HydrophobicContact CE2-CG 4.13Å; F279-E292 HydrophobicContact CZ-CB 3.31Å; F279-E292 HydrophobicContact CZ-CG 3.57Å; F279-V294 HydrophobicContact CB-CG2 3.7Å; F279-V294 HydrophobicContact CD1-CG2 4.12Å; F279-V294 HydrophobicContact CG-CG2 3.91Å; F279-P355 HydrophobicContact CB-CG 4.1Å; F279-P355 HydrophobicContact CD2-CB 3.41Å; F279-P355 VanDerWaalsContact CD2-CB 3.41Å; F279-P355 HydrophobicContact CD2-CG 3.5Å; F279-P355 VanDerWaalsContact CD2-CG 3.5Å; F279-P355 HydrophobicContact CE2-CB 4.05Å; F279-P355 HydrophobicContact CE2-CG 4.31Å; F279-P355 HydrophobicContact CG-CB 4.39Å; F279-P355 HydrophobicContact CG-CG 4.1Å
280L94.1Very high93.9Very high11 Ų1133.9 Ų33.96%0.05820%0.195CC..EExtended strand (participates in β ladder)trans-140.8122.6166.6177.463.8000107.9I235 C268 A269 L270 V277I235-L280 HydrophobicContact CD1-CD2 4.06Å; C268-L280 HydrophobicContact CB-CD1 4.21Å; A269-L280 CarbonylContact O-C 3.52Å; A269-L280 WeakPolarHBondContact O-CA 3.08Å; L270-L280 HydrophobicContact CB-CD1 4.26Å; L270-L280 HydrophobicContact CD1-CB 4.33Å; L270-L280 HydrophobicContact CD1-CD1 4.1Å; V277-L280 HydrophobicContact CG1-CB 4.32Å
281S92.6Very high94Very high7 Ų734.5 Ų34.55%0.04920%0.199CC..PPolyproline II helixtrans-79.7156.1174.680.10000110.7C268 A269C268-S281 VanDerWaalsContact CA-OG 3.28Å; C268-S281 WeakPolarHBondContact CA-OG 3.4Å; C268-S281 PolarHBondContact N-OG 2.91Å; A269-S281 PolarHBondContact N-OG 3.34Å; A269-S281 PolarHBondContact O-N 2.5Å
282P91.5Very high93.9Very high102 Ų10238.4 Ų38.466%0.66222%0.217SC*.PPolyproline II helixtrans-51.7141.9174.9-27.735.3000113.7
283Q91.2Very high93.9Very high18 Ų1838.9 Ų38.98%0.08422%0.22CC..BIsolated β-bridgetrans-81126.6171.6-162.4-179.712.600109.2L231 D266 C268 L362 E367L231-Q283 HydrophobicContact CD2-CB 4.43Å; L231-Q283 HydrophobicContact CD2-CG 4.26Å; D266-Q283 HydrophobicContact CB-CG 3.92Å; C268-Q283 WeakPolarHBondContact SG-CA 3.48Å; C268-Q283 WeakPolarHBondContact SG-CB 3.43Å; C268-Q283 WeakPolarHBondContact SG-CG 3.42Å; Q283-L362 HydrophobicContact CB-CD1 3.96Å; Q283-L362 HydrophobicContact CB-CG 4.48Å; Q283-L362 HydrophobicContact CG-CD1 4.39Å; Q283-E367 PolarHBondContact NE2-OE1 2.72Å; Q283-E367 VanDerWaalsContact NE2-OE1 3.15Å; Q283-E367 PolarHBondContact OE1-OE1 2.93Å
284F94.5Very high93.9Very high16 Ų1638.3 Ų38.37%0.0722%0.216CC..SBendtrans64.9155.9-172.5-41.5-69.8000113.8H226 D266 L362 Y370 G371 L374H226-F284 HydrophobicContact CB-CE1 4.17Å; H226-F284 AromaticContact CD2-CZ 3.6Å; H226-F284 AromaticContact CG-CE1 3.87Å; H226-F284 AromaticContact CG-CZ 3.88Å; H226-F284 AromaticContact NE2-CZ 3.78Å; D266-F284 HydrophobicContact CB-CD1 4.12Å; D266-F284 HydrophobicContact CB-CE1 3.7Å; D266-F284 HydrophobicContact CB-CZ 4.22Å; D266-F284 PolarHBondContact O-N 3.32Å; F284-L362 HydrophobicContact CD2-CD1 3.91Å; F284-L362 HydrophobicContact CE2-CD1 3.96Å; F284-Y370 VanDerWaalsContact CD2-CB 3.5Å; F284-Y370 HydrophobicContact CD2-CD2 4.43Å; F284-G371 VanDerWaalsContact CE1-CA 3.46Å; F284-L374 HydrophobicContact CB-CD2 4.09Å; F284-L374 HydrophobicContact CD1-CD2 4.22Å
285G93.1Very high94.1Very high20 Ų2037.9 Ų37.921%0.20621%0.213CC..  trans169.2145.1179.800000112.2R256 G287 L374R256-G285 WeakPolarHBondContact CD-O 3.35Å; R256-G285 PolarHBondContact NE-O 3.37Å; G285-G287 VanDerWaalsContact C-N 3.35Å; G285-L374 WeakPolarHBondContact O-CD1 3.48Å
286F94.9Very high94Very high124 Ų12435.6 Ų35.654%0.54420%0.201SC..SBendtrans-83.4-10.5-176-63.8-64.2000114.3L374 W377F286-L374 HydrophobicContact CD1-CD1 3.73Å; F286-L374 HydrophobicContact CE1-CD1 4.02Å; F286-W377 HydrophobicContact CD1-CB 4.14Å; F286-W377 AromaticContact CD1-CD1 3.31Å; F286-W377 HydrophobicContact CD1-CD2 4.47Å; F286-W377 AromaticContact CD1-CG 3.7Å; F286-W377 HydrophobicContact CD1-CG 3.7Å; F286-W377 AromaticContact CD1-NE1 3.79Å; F286-W377 HydrophobicContact CE1-CB 3.64Å; F286-W377 AromaticContact CE1-CD1 3.76Å; F286-W377 AromaticContact CE1-CG 3.66Å; F286-W377 HydrophobicContact CE1-CG 3.66Å
287G95.5Very high93.9Very high34 Ų3430.6 Ų30.635%0.35118%0.18SC..  trans-60.9144.417700000111.4R256 G285R256-G287 VanDerWaalsContact CZ-O 3.22Å; R256-G287 PolarHBondContact NE-O 3.4Å; R256-G287 VanDerWaalsContact NE-O 3.16Å; R256-G287 PolarHBondContact NH2-O 3.4Å; G285-G287 VanDerWaalsContact C-N 3.35Å
288D97.4Very high93.8Very high39 Ų3929.6 Ų29.621%0.20917%0.174CC..SBendtrans-81.3-28173.5-98.314.5000111.5N23 R34 R35 R381N23-D288 PolarHBondContact N-O 3.11Å; R34-D288 IonicContact NH2-OD2 3.63Å; R35-D288 HydrophobicContact CG-CB 4.44Å; R35-D288 IonicContact CZ-OD2 2.63Å; R35-D288 IonicContact NE-OD2 3.28Å; R35-D288 PolarHBondContact NE-OD2 2.68Å; R35-D288 IonicContact NH2-OD2 2.84Å; D288-R381 IonicContact OD1-CZ 3.06Å; D288-R381 IonicContact OD1-NH1 3.91Å; D288-R381 PolarHBondContact OD1-NH1 3.31Å; D288-R381 IonicContact OD1-NH2 3.87Å; D288-R381 PolarHBondContact OD1-NH2 2.99Å; D288-R381 IonicContact OD2-NH1 3.81Å
289V98.4Very high93.6Very high28 Ų2832.4 Ų32.417%0.1719%0.189CC..EExtended strand (participates in β ladder)trans-133.5131.4-180-178.50000109L22 R35 E38 V291L22-V289 HydrophobicContact CD2-CB 4.26Å; L22-V289 HydrophobicContact CD2-CG1 3.89Å; L22-V289 HydrophobicContact CD2-CG2 4.11Å; R35-V289 HydrophobicContact CB-CG2 3.77Å; R35-V289 HydrophobicContact CG-CG2 3.9Å; E38-V289 HydrophobicContact CB-CG2 4.41Å; E38-V289 HydrophobicContact CG-CG1 4.49Å; E38-V289 HydrophobicContact CG-CG2 4.31Å; V289-V291 HydrophobicContact CG1-CG2 3.86Å
290S97.4Very high93.3Very high28 Ų2834.5 Ų34.520%0.19621%0.205CC..EExtended strand (participates in β ladder)trans-129.1129.6168.4-153.60000107.7C20 V21C20-S290 WeakPolarHBondContact CA-O 3.47Å; V21-S290 PolarHBondContact N-O 2.69Å; V21-S290 PolarHBondContact O-N 2.97Å
291V97.2Very high93.1Very high13 Ų1334 Ų348%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-132.8120.7178.7-174.80000108.4A18 T42 A43 L46 V289A18-V291 HydrophobicContact CB-CG1 3.86Å; T42-V291 HydrophobicContact CG2-CB 3.93Å; T42-V291 HydrophobicContact CG2-CG1 4.43Å; T42-V291 HydrophobicContact CG2-CG2 4.14Å; A43-V291 HydrophobicContact CB-CG1 3.95Å; L46-V291 HydrophobicContact CD1-CB 4.5Å; L46-V291 HydrophobicContact CD1-CG1 4.2Å; V289-V291 HydrophobicContact CG1-CG2 3.86Å
292E94.8Very high93.1Very high82 Ų8235.9 Ų35.938%0.38321%0.209SC..EExtended strand (participates in β ladder)trans-128.4142.7179.7-66.3-67.7169.500109.1A18 L19 F279A18-E292 CarbonylContact C-O 3.52Å; A18-E292 WeakPolarHBondContact CA-O 3.22Å; L19-E292 PolarHBondContact N-O 3Å; L19-E292 PolarHBondContact O-N 2.67Å; L19-E292 VanDerWaalsContact O-N 3.15Å; F279-E292 HydrophobicContact CE1-CB 3.86Å; F279-E292 HydrophobicContact CE1-CG 4.46Å; F279-E292 HydrophobicContact CE2-CB 3.88Å; F279-E292 HydrophobicContact CE2-CG 4.13Å; F279-E292 HydrophobicContact CZ-CB 3.31Å; F279-E292 HydrophobicContact CZ-CG 3.57Å
293T95.1Very high93Very high10 Ų1034.7 Ų34.76%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-111.3137.1-174.4550000111.9T16 V17 A18 L46 A48T16-T293 HydrophobicContact CG2-CG2 4.04Å; V17-T293 WeakPolarHBondContact O-CA 3.23Å; A18-T293 HydrophobicContact CB-CG2 4.15Å; L46-T293 HydrophobicContact CB-CG2 3.59Å; L46-T293 HydrophobicContact CD1-CG2 4.06Å; L46-T293 HydrophobicContact CG-CG2 4.48Å; A48-T293 HydrophobicContact CB-CG2 4.02Å
294V93.9Very high92.9Very high2 Ų238.8 Ų38.81%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-120.3128.1174.5-176.80000108.6T16 V17 L19 F249 A271 I278 F279 V296 P355T16-V294 WeakPolarHBondContact CA-O 3.47Å; V17-V294 PolarHBondContact N-O 2.99Å; V17-V294 PolarHBondContact O-N 3.1Å; L19-V294 HydrophobicContact CD1-CG2 3.91Å; L19-V294 HydrophobicContact CG-CG2 4.44Å; F249-V294 HydrophobicContact CE2-CG1 4.03Å; F249-V294 HydrophobicContact CZ-CB 4.31Å; F249-V294 HydrophobicContact CZ-CG1 4.09Å; A271-V294 HydrophobicContact CB-CG1 4.28Å; A271-V294 HydrophobicContact CB-CG2 3.97Å; I278-V294 HydrophobicContact CD1-CG1 3.39Å; I278-V294 HydrophobicContact CG1-CG1 4.07Å; F279-V294 HydrophobicContact CB-CG2 3.7Å; F279-V294 HydrophobicContact CD1-CG2 4.12Å; F279-V294 HydrophobicContact CG-CG2 3.91Å; V294-V296 HydrophobicContact CG1-CG2 4.19Å; V294-P355 HydrophobicContact CG2-CG 4.47Å
295T92.5Very high92.7Very high24 Ų2438.3 Ų38.315%0.14722%0.215CC..EExtended strand (participates in β ladder)trans-107.3129179.1-56.10000110.2K14 F15 T16K14-T295 HydrophobicContact CB-CG2 4.05Å; F15-T295 WeakPolarHBondContact O-CA 3.13Å; T16-T295 WeakPolarHBondContact OG1-CG2 3.27Å; T16-T295 PolarHBondContact OG1-OG1 2.87Å
296V89.8Confident92.6Very high9 Ų944.2 Ų44.26%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-124.6137.8-173.8-173.10000110.5K14 F15 F249 V273 I278 V294 L301K14-V296 VanDerWaalsContact CA-O 3.26Å; K14-V296 WeakPolarHBondContact CA-O 3.4Å; F15-V296 HydrophobicContact CE1-CB 3.96Å; F15-V296 HydrophobicContact CE1-CG1 4.34Å; F15-V296 HydrophobicContact CZ-CB 4.13Å; F15-V296 PolarHBondContact N-O 2.66Å; F15-V296 VanDerWaalsContact N-O 3.12Å; F15-V296 PolarHBondContact O-N 3.25Å; F249-V296 HydrophobicContact CB-CG1 4.23Å; F249-V296 HydrophobicContact CB-CG2 4.47Å; F249-V296 HydrophobicContact CD1-CG2 3.81Å; F249-V296 HydrophobicContact CD2-CG2 3.77Å; F249-V296 HydrophobicContact CE1-CG2 3.91Å; F249-V296 HydrophobicContact CE2-CG2 3.82Å; F249-V296 HydrophobicContact CG-CG1 4.39Å; F249-V296 HydrophobicContact CG-CG2 3.77Å; F249-V296 HydrophobicContact CZ-CG2 3.9Å; V273-V296 HydrophobicContact CG2-CG1 4.47Å; I278-V296 HydrophobicContact CD1-CG2 4.49Å; V294-V296 HydrophobicContact CG1-CG2 4.19Å; V296-L301 HydrophobicContact CG1-CD1 3.73Å; V296-L301 HydrophobicContact CG1-CD2 4.4Å; V296-L301 HydrophobicContact CG1-CG 4.09Å
297C89.7Confident92.4Very high30 Ų3042.1 Ų42.120%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-93.1115176.4178.70000110.6N13 K14 N299 S300 L301N13-C297 PolarHBondContact ND2-SG 3.16Å; K14-C297 HydrophobicContact CG-CB 4.22Å; C297-N299 PolarHBondContact O-N 2.96Å; C297-S300 WeakPolarHBondContact O-CB 3.12Å; C297-S300 PolarHBondContact O-N 2.68Å; C297-S300 PolarHBondContact SG-OG 3.08Å; C297-L301 PolarHBondContact O-N 3.12Å
298L90.1Very high92.1Very high0 Ų041.7 Ų41.70%024%0.237CC..Hα-helixtrans-62.8-41.2-178.7-69.5164.4000112.6N13 F15 E188 V190 D216 S300 L301 R302 C343N13-L298 HydrophobicContact CB-CB 4.43Å; N13-L298 WeakPolarHBondContact O-CB 3.47Å; N13-L298 WeakPolarHBondContact O-CG 3.01Å; N13-L298 PolarHBondContact O-N 3.11Å; F15-L298 HydrophobicContact CD1-CD1 4.32Å; F15-L298 HydrophobicContact CD1-CD2 3.94Å; F15-L298 HydrophobicContact CD1-CG 3.93Å; F15-L298 HydrophobicContact CE1-CD2 3.56Å; F15-L298 HydrophobicContact CE1-CG 4Å; E188-L298 HydrophobicContact CB-CD1 4.49Å; V190-L298 HydrophobicContact CG1-CD2 4.11Å; V190-L298 HydrophobicContact CG2-CD1 3.55Å; V190-L298 HydrophobicContact CG2-CD2 4.32Å; D216-L298 HydrophobicContact CB-CD2 3.83Å; L298-S300 PolarHBondContact O-N 3.46Å; L298-L301 PolarHBondContact O-N 2.98Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L298-R302 WeakPolarHBondContact O-CB 3.36Å; L298-R302 WeakPolarHBondContact O-CG 3.4Å; L298-R302 PolarHBondContact O-N 2.8Å; L298-C343 WeakPolarHBondContact CD1-SG 3.11Å
299N88.4Confident91.7Very high74 Ų7449.5 Ų49.540%0.39626%0.264SS..Hα-helixtrans-64.9-32.3-178.3-64.711.9000110.8N13 E188 C297 S303N13-N299 WeakPolarHBondContact ND2-CB 3.27Å; N13-N299 PolarHBondContact ND2-N 3.38Å; N13-N299 PolarHBondContact ND2-ND2 3.14Å; N13-N299 VanDerWaalsContact ND2-ND2 3.19Å; N13-N299 PolarHBondContact ND2-OD1 3.34Å; E188-N299 PolarHBondContact OE1-OD1 2.83Å; E188-N299 PolarHBondContact OE2-OD1 3.02Å; C297-N299 PolarHBondContact O-N 2.96Å; N299-S303 WeakPolarHBondContact O-CB 3.24Å; N299-S303 PolarHBondContact O-N 2.7Å
300S88.2Confident91Very high53 Ų5352 Ų5237%0.37128%0.282SS..Hα-helixtrans-64.4-45.8175.4-59.50000111.4C297 L298 R304C297-S300 WeakPolarHBondContact O-CB 3.12Å; C297-S300 PolarHBondContact O-N 2.68Å; C297-S300 PolarHBondContact SG-OG 3.08Å; L298-S300 PolarHBondContact O-N 3.46Å; S300-R304 PolarHBondContact O-N 3.31Å; S300-R304 PolarHBondContact O-NE 2.97Å
301L89.9Confident90.5Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-61.9-50.8175.3-62.4175.6000111.2F249 V273 V296 C297 L298 S303 R304 R305F249-L301 HydrophobicContact CB-CD1 4.1Å; V273-L301 HydrophobicContact CG1-CD2 3.51Å; V273-L301 HydrophobicContact CG2-CD2 4.34Å; V296-L301 HydrophobicContact CG1-CD1 3.73Å; V296-L301 HydrophobicContact CG1-CD2 4.4Å; V296-L301 HydrophobicContact CG1-CG 4.09Å; C297-L301 PolarHBondContact O-N 3.12Å; L298-L301 PolarHBondContact O-N 2.98Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L301-S303 PolarHBondContact O-N 3.5Å; L301-R304 PolarHBondContact O-N 3.28Å; L301-R305 WeakPolarHBondContact O-CG 3.18Å; L301-R305 PolarHBondContact O-N 3.21Å
302R90.7Very high90.1Very high48 Ų4853.5 Ų53.518%0.18130%0.295CS..Hα-helixtrans-67.4-37.3-175.6-69.6175.4175.3-175.6-4.8112.5E188 H189 D216 L298 R305 I306E188-R302 IonicContact OE2-CZ 3.29Å; E188-R302 IonicContact OE2-NH1 2.71Å; E188-R302 PolarHBondContact OE2-NH1 3.31Å; H189-R302 PolarHBondContact ND1-NH2 3.44Å; H189-R302 PolarHBondContact O-NH2 2.97Å; D216-R302 IonicContact OD1-CZ 2.54Å; D216-R302 IonicContact OD1-NE 3.62Å; D216-R302 PolarHBondContact OD1-NE 3.04Å; D216-R302 IonicContact OD1-NH2 3.44Å; D216-R302 PolarHBondContact OD1-NH2 3.12Å; D216-R302 IonicContact OD2-CZ 3.86Å; D216-R302 IonicContact OD2-NE 3.91Å; D216-R302 IonicContact OD2-NH2 3.79Å; D216-R302 PolarHBondContact OD2-NH2 3.05Å; L298-R302 WeakPolarHBondContact O-CB 3.36Å; L298-R302 WeakPolarHBondContact O-CG 3.4Å; L298-R302 PolarHBondContact O-N 2.8Å; R302-R305 WeakPolarHBondContact O-CB 3.4Å; R302-R305 PolarHBondContact O-N 3.29Å; R302-I306 VanDerWaalsContact O-CG1 3.29Å; R302-I306 WeakPolarHBondContact O-CG1 3.3Å; R302-I306 PolarHBondContact O-N 3.16Å
303S90.1Very high89.8Confident77 Ų7759 Ų5954%0.53831%0.312SS..Hα-helixtrans-60.6-44.7174.8-179.10000111.6N299 L301 R305 I306 A307N299-S303 WeakPolarHBondContact O-CB 3.24Å; N299-S303 PolarHBondContact O-N 2.7Å; L301-S303 PolarHBondContact O-N 3.5Å; S303-R305 PolarHBondContact O-N 2.92Å; S303-I306 PolarHBondContact O-N 2.82Å; S303-A307 PolarHBondContact O-N 3.01Å
304R89.7Confident89.5Confident103 Ų10359.7 Ų59.739%0.38932%0.319SS..Hα-helixtrans-65.8-37.3175.9-71.9-174.7-65.3-114.33.8112.4D247 S274 S300 L301 A307 S308D247-R304 HydrophobicContact CB-CB 4.19Å; D247-R304 IonicContact OD2-CZ 3.82Å; D247-R304 VanDerWaalsContact OD2-CZ 3.29Å; D247-R304 IonicContact OD2-NE 3.98Å; D247-R304 PolarHBondContact OD2-NE 3.13Å; D247-R304 IonicContact OD2-NH2 2.83Å; D247-R304 PolarHBondContact OD2-NH2 3.06Å; S274-R304 PolarHBondContact OG-NE 3.39Å; S274-R304 VanDerWaalsContact OG-NE 3.11Å; S274-R304 PolarHBondContact OG-NH2 2.78Å; S300-R304 PolarHBondContact O-N 3.31Å; S300-R304 PolarHBondContact O-NE 2.97Å; L301-R304 PolarHBondContact O-N 3.28Å; R304-A307 PolarHBondContact O-N 3.02Å; R304-S308 PolarHBondContact O-N 3.31Å; R304-S308 VanDerWaalsContact O-N 3.1Å
305R90.8Very high89.2Confident7 Ų760.8 Ų60.83%0.02633%0.328CS..Hα-helixtrans-62.7-41.2172.6-75.7175.8-179.8-176.3-2.1113.8V215 D216 D247 L301 R302 S303 A307 S308 F311V215-R305 PolarHBondContact O-NH1 2.74Å; V215-R305 PolarHBondContact O-NH2 2.73Å; D216-R305 IonicContact OD1-NH1 3.07Å; D247-R305 HydrophobicContact CB-CG 4.07Å; D247-R305 PolarHBondContact O-NE 2.8Å; D247-R305 PolarHBondContact O-NH2 3.48Å; L301-R305 WeakPolarHBondContact O-CG 3.18Å; L301-R305 PolarHBondContact O-N 3.21Å; R302-R305 WeakPolarHBondContact O-CB 3.4Å; R302-R305 PolarHBondContact O-N 3.29Å; S303-R305 PolarHBondContact O-N 2.92Å; R305-A307 PolarHBondContact O-N 3.48Å; R305-S308 WeakPolarHBondContact O-CB 3.11Å; R305-S308 PolarHBondContact O-N 2.93Å; R305-F311 HydrophobicContact CB-CD1 3.63Å; R305-F311 HydrophobicContact CB-CE1 3.78Å; R305-F311 HydrophobicContact CB-CG 4.09Å; R305-F311 HydrophobicContact CB-CZ 4.33Å; R305-F311 HydrophobicContact CG-CD1 4.11Å; R305-F311 HydrophobicContact CG-CD2 4.28Å; R305-F311 HydrophobicContact CG-CE1 4.21Å; R305-F311 HydrophobicContact CG-CE2 4.31Å; R305-F311 HydrophobicContact CG-CG 4.13Å; R305-F311 HydrophobicContact CG-CZ 4.29Å
306I89.9Confident88.9Confident143 Ų14362.5 Ų62.573%0.73334%0.344SS*.Hα-helixtrans-59.9-38.2175.9-70.5163.6000110.5R302 S303 S308R302-I306 VanDerWaalsContact O-CG1 3.29Å; R302-I306 WeakPolarHBondContact O-CG1 3.3Å; R302-I306 PolarHBondContact O-N 3.16Å; S303-I306 PolarHBondContact O-N 2.82Å; I306-S308 VanDerWaalsContact C-N 3.3Å
307A89.9Confident88.6Confident81 Ų8165.1 Ų65.167%0.66937%0.367SS*.Hα-helixtrans-71.2-24.3174.900000113.1S303 R304 R305 R309S303-A307 PolarHBondContact O-N 3.01Å; R304-A307 PolarHBondContact O-N 3.02Å; R305-A307 PolarHBondContact O-N 3.48Å; A307-R309 PolarHBondContact O-N 2.7Å
308S90Very high88.3Confident24 Ų2465.1 Ų65.117%0.16837%0.368CS..  trans-80.6107.9-179.7-178.30000112.7G246 R304 R305 I306 C310 F311 G312G246-S308 VanDerWaalsContact CA-OG 3.31Å; G246-S308 WeakPolarHBondContact CA-OG 3.35Å; R304-S308 PolarHBondContact O-N 3.31Å; R304-S308 VanDerWaalsContact O-N 3.1Å; R305-S308 WeakPolarHBondContact O-CB 3.11Å; R305-S308 PolarHBondContact O-N 2.93Å; I306-S308 VanDerWaalsContact C-N 3.3Å; S308-C310 VanDerWaalsContact C-N 3.28Å; S308-C310 PolarHBondContact O-N 3.4Å; S308-F311 PolarHBondContact O-N 2.99Å; S308-F311 PolarHBondContact OG-N 3.35Å; S308-G312 PolarHBondContact O-N 3.45Å; S308-G312 VanDerWaalsContact O-N 3.11Å
309R88.2Confident87.9Confident204 Ų20467.7 Ų67.777%0.7739%0.389SS*.Hα-helixtrans-65.2-31.2173.7-61.9-59.6-173-177.6-0.5113A307 R313A307-R309 PolarHBondContact O-N 2.7Å; R309-R313 WeakPolarHBondContact O-CG 3.43Å; R309-R313 PolarHBondContact O-N 3.01Å; R309-R313 VanDerWaalsContact O-N 3.16Å
310C84.5Confident87.3Confident81 Ų8166.5 Ų66.555%0.54739%0.389SS..Hα-helixtrans-64.5-49.7176.9178.90000110.4S308 G312 R313 A314S308-C310 VanDerWaalsContact C-N 3.28Å; S308-C310 PolarHBondContact O-N 3.4Å; C310-G312 PolarHBondContact O-N 3.47Å; C310-R313 PolarHBondContact O-N 3.16Å; C310-A314 PolarHBondContact O-N 2.82Å
311F87.1Confident86.4Confident32 Ų3265.4 Ų65.414%0.1438%0.383CS..Hα-helixtrans-55.2-52174.2177.9-106.7000111.5Y211 N245 R305 S308 R313 A314 A315Y211-F311 VanDerWaalsContact O-CE2 3.27Å; Y211-F311 WeakPolarHBondContact O-CE2 3.42Å; N245-F311 HydrophobicContact CB-CD2 4.26Å; N245-F311 WeakPolarHBondContact O-CB 3.31Å; N245-F311 WeakPolarHBondContact O-CD2 3.45Å; N245-F311 WeakPolarHBondContact O-CG 3.46Å; R305-F311 HydrophobicContact CB-CD1 3.63Å; R305-F311 HydrophobicContact CB-CE1 3.78Å; R305-F311 HydrophobicContact CB-CG 4.09Å; R305-F311 HydrophobicContact CB-CZ 4.33Å; R305-F311 HydrophobicContact CG-CD1 4.11Å; R305-F311 HydrophobicContact CG-CD2 4.28Å; R305-F311 HydrophobicContact CG-CE1 4.21Å; R305-F311 HydrophobicContact CG-CE2 4.31Å; R305-F311 HydrophobicContact CG-CG 4.13Å; R305-F311 HydrophobicContact CG-CZ 4.29Å; S308-F311 PolarHBondContact O-N 2.99Å; S308-F311 PolarHBondContact OG-N 3.35Å; F311-R313 VanDerWaalsContact C-N 3.26Å; F311-R313 PolarHBondContact O-N 2.94Å; F311-A314 PolarHBondContact O-N 2.84Å; F311-A314 VanDerWaalsContact O-N 3.12Å; F311-A315 HydrophobicContact CE1-CB 4.25Å; F311-A315 HydrophobicContact CE2-CB 4.38Å; F311-A315 HydrophobicContact CZ-CB 4.14Å; F311-A315 WeakPolarHBondContact O-CB 3.17Å; F311-A315 PolarHBondContact O-N 3Å
312G88.3Confident85.1Confident39 Ų3971.3 Ų71.340%0.40241%0.409SS..Hα-helixtrans-56.3-38.9-177.500000113.2S308 C310 A316S308-G312 PolarHBondContact O-N 3.45Å; S308-G312 VanDerWaalsContact O-N 3.11Å; C310-G312 PolarHBondContact O-N 3.47Å; G312-A316 VanDerWaalsContact O-CB 3.24Å; G312-A316 WeakPolarHBondContact O-CB 3.29Å; G312-A316 PolarHBondContact O-N 3.13Å
313R88.8Confident83.1Confident199 Ų19973.2 Ų73.275%0.75143%0.429SS*.Hα-helixtrans-68.4-48.2175.2-71176.1-175.6174.11.8112.1R309 C310 F311 A315 A316 A317R309-R313 WeakPolarHBondContact O-CG 3.43Å; R309-R313 PolarHBondContact O-N 3.01Å; R309-R313 VanDerWaalsContact O-N 3.16Å; C310-R313 PolarHBondContact O-N 3.16Å; F311-R313 VanDerWaalsContact C-N 3.26Å; F311-R313 PolarHBondContact O-N 2.94Å; R313-A315 VanDerWaalsContact C-N 3.35Å; R313-A315 PolarHBondContact O-N 2.89Å; R313-A316 PolarHBondContact O-N 2.87Å; R313-A317 WeakPolarHBondContact O-CB 3.23Å; R313-A317 PolarHBondContact O-N 3.32Å
314A88.2Confident81Confident24 Ų2474.4 Ų74.420%0.19843%0.43CS..Hα-helixtrans-62.2-43.1-179.800000111.7A212 C310 F311 A317 S318A212-A314 HydrophobicContact CB-CB 3.99Å; C310-A314 PolarHBondContact O-N 2.82Å; F311-A314 PolarHBondContact O-N 2.84Å; F311-A314 VanDerWaalsContact O-N 3.12Å; A314-A317 PolarHBondContact O-N 3.23Å; A314-S318 WeakPolarHBondContact O-CB 2.97Å; A314-S318 PolarHBondContact O-N 3.25Å
315A87.3Confident78.7Confident24 Ų2474.4 Ų74.420%0.19845%0.452CS..Hα-helixtrans-68.1-41.5178.400000113.2A212 F311 R313 A317 S318 A319A212-A315 WeakPolarHBondContact O-CA 3.42Å; A212-A315 WeakPolarHBondContact O-CB 3.44Å; F311-A315 HydrophobicContact CE1-CB 4.25Å; F311-A315 HydrophobicContact CE2-CB 4.38Å; F311-A315 HydrophobicContact CZ-CB 4.14Å; F311-A315 WeakPolarHBondContact O-CB 3.17Å; F311-A315 PolarHBondContact O-N 3Å; R313-A315 VanDerWaalsContact C-N 3.35Å; R313-A315 PolarHBondContact O-N 2.89Å; A315-A317 VanDerWaalsContact C-N 3.34Å; A315-A317 PolarHBondContact O-N 3.38Å; A315-S318 PolarHBondContact O-N 2.96Å; A315-A319 WeakPolarHBondContact O-CB 3.14Å; A315-A319 PolarHBondContact O-N 3.42Å
316A86.3Confident76.7Confident60 Ų6083.4 Ų83.450%0.49649%0.491SS..Hα-helixtrans-62-42.6173.600000111.8G312 R313 A319 A320G312-A316 VanDerWaalsContact O-CB 3.24Å; G312-A316 WeakPolarHBondContact O-CB 3.29Å; G312-A316 PolarHBondContact O-N 3.13Å; R313-A316 PolarHBondContact O-N 2.87Å; A316-A319 PolarHBondContact O-N 3.02Å; A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 3.34Å
317A84.9Confident74.7Confident65 Ų6580.2 Ų80.254%0.53749%0.493SS..Hα-helixtrans-63.4-45.2176.400000112R313 A314 A315 A319 A320 A321R313-A317 WeakPolarHBondContact O-CB 3.23Å; R313-A317 PolarHBondContact O-N 3.32Å; A314-A317 PolarHBondContact O-N 3.23Å; A315-A317 VanDerWaalsContact C-N 3.34Å; A315-A317 PolarHBondContact O-N 3.38Å; A317-A319 VanDerWaalsContact C-N 3.29Å; A317-A319 PolarHBondContact O-N 3.44Å; A317-A320 PolarHBondContact O-N 2.93Å; A317-A321 PolarHBondContact O-N 2.88Å
318S82.7Confident72.5Confident30 Ų3082.2 Ų82.221%0.2149%0.492CS..Hα-helixtrans-61.1-37.1175.3-176.10000112.3A314 A315A314-S318 WeakPolarHBondContact O-CB 2.97Å; A314-S318 PolarHBondContact O-N 3.25Å; A315-S318 PolarHBondContact O-N 2.96Å
319A81.2Confident70.2Confident53 Ų5387.3 Ų87.344%0.43852%0.522SS..Hα-helixtrans-71.8-41176.500000112.8A315 A316 A317 A321 K322A315-A319 WeakPolarHBondContact O-CB 3.14Å; A315-A319 PolarHBondContact O-N 3.42Å; A316-A319 PolarHBondContact O-N 3.02Å; A317-A319 VanDerWaalsContact C-N 3.29Å; A317-A319 PolarHBondContact O-N 3.44Å; A319-A321 VanDerWaalsContact C-N 3.27Å; A319-A321 PolarHBondContact O-N 3.18Å; A319-K322 WeakPolarHBondContact O-CB 3.48Å; A319-K322 PolarHBondContact O-N 3.33Å
320A76.8Confident68.3Low50 Ų5082.7 Ų82.741%0.41351%0.509SS..Hα-helixtrans-63.2-33.1179.200000112.5A316 A317 K322 S323A316-A320 WeakPolarHBondContact O-CB 3.43Å; A316-A320 PolarHBondContact O-N 3.34Å; A317-A320 PolarHBondContact O-N 2.93Å; A320-K322 PolarHBondContact O-N 3.28Å; A320-S323 PolarHBondContact O-N 2.83Å; A320-S323 PolarHBondContact O-OG 2.74Å
321A70Confident66.8Low29 Ų2981.9 Ų81.924%0.2450%0.504CS..THydrogen-bonded Turntrans-56.6-19.7172.700000113.6A317 A319 S323 H330A317-A321 PolarHBondContact O-N 2.88Å; A319-A321 VanDerWaalsContact C-N 3.27Å; A319-A321 PolarHBondContact O-N 3.18Å; A321-S323 VanDerWaalsContact C-N 3.35Å; A321-H330 HydrophobicContact CB-CB 3.93Å
322K60.9Low66.2Low125 Ų12582.5 Ų82.554%0.54351%0.512SS..THydrogen-bonded Turntrans-70.9-24.7174.8-69.7178.8175.7175.90114.3A319 A320 C332A319-K322 WeakPolarHBondContact O-CB 3.48Å; A319-K322 PolarHBondContact O-N 3.33Å; A320-K322 PolarHBondContact O-N 3.28Å; K322-C332 HydrophobicContact CD-CB 4Å; K322-C332 HydrophobicContact CG-CB 3.3Å
323S50.2Low66.3Low87 Ų8781.2 Ų81.261%0.60850%0.495SS*.  trans-106.8-0.1-162.352.90000115.6A320 A321 A325A320-S323 PolarHBondContact O-N 2.83Å; A320-S323 PolarHBondContact O-OG 2.74Å; A321-S323 VanDerWaalsContact C-N 3.35Å; S323-A325 PolarHBondContact O-N 3.31Å; S323-A325 VanDerWaalsContact O-N 3.1Å
324D45.2Very low66.5Low103 Ų10372.8 Ų72.855%0.55147%0.466SS*.  trans-75.3109.2-176.5-75.3-9.1000111.8F326D324-F326 PolarHBondContact O-N 3.13Å
325A41.5Very low66.8Low102 Ų10273.7 Ų73.784%0.84347%0.469SS*.THydrogen-bonded Turntrans-7317.2-169.800000115.7S323S323-A325 PolarHBondContact O-N 3.31Å; S323-A325 VanDerWaalsContact O-N 3.1Å
326F49.1Very low67.3Low197 Ų19773.6 Ų73.686%0.86447%0.466SS*.THydrogen-bonded Turntrans-9912.6-177.4-95.1-82.5000114.7D324 I328D324-F326 PolarHBondContact O-N 3.13Å; F326-I328 PolarHBondContact O-N 2.82Å
327G47.1Very low67.7Low75 Ų7578.6 Ų78.677%0.77348%0.476SS*.SBendtrans71.60.6173.100000115.1
328I44.2Very low68.2Low123 Ų12375.7 Ų75.763%0.63145%0.452SS*.  trans-90.5100.4164.9-57173.2000105.7F326 H330F326-I328 PolarHBondContact O-N 2.82Å; I328-H330 VanDerWaalsContact C-N 3.34Å; I328-H330 PolarHBondContact O-N 3.02Å
329T41.6Very low68.8Low132 Ų13280.9 Ų80.981%0.8148%0.478SS*.  trans-60.595175.149.40000109S331T329-S331 PolarHBondContact O-N 3.31Å
330H47.6Very low69.4Low106 Ų10679.3 Ų79.349%0.49146%0.461SS..  trans-65.1116.9159.5-75.2-71000106.4A321 I328 C332A321-H330 HydrophobicContact CB-CB 3.93Å; I328-H330 VanDerWaalsContact C-N 3.34Å; I328-H330 PolarHBondContact O-N 3.02Å; H330-C332 PolarHBondContact O-N 3.41Å
331S53.3Low70.2Confident64 Ų6478.9 Ų78.945%0.44845%0.452SS..  trans-62.4102.1-169.160.60000109.5Q150 T329Q150-S331 PolarHBondContact OE1-O 3.42Å; Q150-S331 PolarHBondContact OE1-OG 3.19Å; T329-S331 PolarHBondContact O-N 3.31Å
332C74.9Confident71.3Confident45 Ų4577.6 Ų77.630%0.30444%0.441SS..PPolyproline II helixtrans-71.9141152.371.70000107.5K322 H330 P334K322-C332 HydrophobicContact CD-CB 4Å; K322-C332 HydrophobicContact CG-CB 3.3Å; H330-C332 PolarHBondContact O-N 3.41Å; C332-P334 WeakPolarHBondContact O-CD 3.42Å; C332-P334 VanDerWaalsContact O-N 3.09Å
333Y90.7Very high72.8Confident12 Ų1271.6 Ų71.65%0.04742%0.415CS..PPolyproline II helixtrans-52.6123.8174.3-104.3-79.4000109.1Q150 D176 I178 P206 A209 M210 A213Q150-Y333 HydrophobicContact CB-CD1 4.37Å; Q150-Y333 HydrophobicContact CG-CD1 3.84Å; Q150-Y333 HydrophobicContact CG-CD2 3.87Å; Q150-Y333 HydrophobicContact CG-CE1 3.7Å; Q150-Y333 HydrophobicContact CG-CE2 3.73Å; Q150-Y333 HydrophobicContact CG-CG 3.93Å; D176-Y333 WeakPolarHBondContact OD2-CE1 3.34Å; I178-Y333 VanDerWaalsContact CD1-CB 3.41Å; I178-Y333 HydrophobicContact CD1-CD1 4.19Å; I178-Y333 HydrophobicContact CD1-CD2 4.29Å; I178-Y333 HydrophobicContact CD1-CG 3.73Å; I178-Y333 HydrophobicContact CG1-CD1 3.96Å; I178-Y333 HydrophobicContact CG1-CG 4.05Å; P206-Y333 PolarHBondContact O-OH 3.02Å; A209-Y333 VanDerWaalsContact C-CE2 3.44Å; A209-Y333 HydrophobicContact CB-CE2 3.59Å; M210-Y333 HydrophobicContact CE-CE1 4.4Å; M210-Y333 HydrophobicContact CG-CE1 4.12Å; M210-Y333 HydrophobicContact CG-CE2 4.06Å; M210-Y333 WeakPolarHBondContact CG-OH 3.47Å; A213-Y333 HydrophobicContact CB-CD2 3.83Å; A213-Y333 HydrophobicContact CB-CG 4.34Å
334P93.6Very high74.6Confident23 Ų2367.8 Ų67.815%0.14939%0.387CS..PPolyproline II helixtrans-64.3145.4176.426-31.8000108.5Q150 I152 D176 A177 I178 C332Q150-P334 VanDerWaalsContact C-CD 3.42Å; Q150-P334 VanDerWaalsContact O-CD 3.23Å; Q150-P334 WeakPolarHBondContact O-CD 3.38Å; I152-P334 HydrophobicContact CD1-CB 4.18Å; I152-P334 HydrophobicContact CG1-CB 4.05Å; I152-P334 HydrophobicContact CG1-CG 4.45Å; I152-P334 HydrophobicContact CG2-CB 4.32Å; I152-P334 HydrophobicContact CG2-CG 3.99Å; D176-P334 WeakPolarHBondContact O-CD 3.37Å; D176-P334 WeakPolarHBondContact O-CG 3.46Å; A177-P334 WeakPolarHBondContact CA-O 3.45Å; A177-P334 HydrophobicContact CB-CB 4.43Å; A177-P334 HydrophobicContact CB-CG 4.02Å; A177-P334 WeakPolarHBondContact CB-O 3.49Å; I178-P334 PolarHBondContact N-O 2.66Å; C332-P334 WeakPolarHBondContact O-CD 3.42Å; C332-P334 VanDerWaalsContact O-N 3.09Å
335V94.6Very high76.4Confident43 Ų4366.6 Ų66.626%0.26139%0.387SS..EExtended strand (participates in β ladder)trans-120.4116.6-174.7179.80000109.3I178 R180 K337I178-V335 HydrophobicContact CB-CG2 4.5Å; I178-V335 CarbonylContact O-C 3.27Å; I178-V335 WeakPolarHBondContact O-CA 2.7Å; R180-V335 HydrophobicContact CB-CG1 3.46Å; R180-V335 VanDerWaalsContact CB-CG1 3.46Å; V335-K337 HydrophobicContact CG1-CG 4.45Å; V335-K337 PolarHBondContact O-N 2.9Å
336V96.7Very high77.6Confident21 Ų2164.4 Ų64.413%0.12736%0.361CS..EExtended strand (participates in β ladder)trans-82.8110.1166.4178.20000107.4L124 A173 A177 I178 L179 R180 V338L124-V336 HydrophobicContact CD1-CG2 4.33Å; A173-V336 HydrophobicContact CB-CG2 4.04Å; A177-V336 HydrophobicContact CB-CG2 4.02Å; I178-V336 PolarHBondContact O-N 2.96Å; L179-V336 WeakPolarHBondContact CA-O 3.46Å; L179-V336 HydrophobicContact CD2-CB 4.18Å; L179-V336 HydrophobicContact CD2-CG1 4.26Å; R180-V336 PolarHBondContact N-O 2.96Å; V336-V338 HydrophobicContact CG1-CG2 4.37Å
337K95.4Very high78.2Confident165 Ų16563.1 Ų63.172%0.71736%0.357SS*.EExtended strand (participates in β ladder)trans-78.2130.2177.3-62.6178.4-175.9175.10109.2V335V335-K337 HydrophobicContact CG1-CG 4.45Å; V335-K337 PolarHBondContact O-N 2.9Å
338V96.1Very high79.2Confident5 Ų563.2 Ų63.23%0.0334%0.335CS..EExtended strand (participates in β ladder)trans-121.9116.2-179.9-170.70000108.4L118 L123 L179 R180 F181 S182 V336 F340L118-V338 HydrophobicContact CD2-CG1 3.69Å; L123-V338 HydrophobicContact CD1-CG1 4.02Å; L123-V338 HydrophobicContact CD1-CG2 4.12Å; L123-V338 HydrophobicContact CD2-CG1 4.21Å; L179-V338 HydrophobicContact CD2-CG2 4.19Å; R180-V338 PolarHBondContact O-N 3.32Å; F181-V338 WeakPolarHBondContact CA-O 3.43Å; F181-V338 HydrophobicContact CD1-CB 3.71Å; F181-V338 HydrophobicContact CD1-CG1 3.75Å; F181-V338 HydrophobicContact CD1-CG2 4.32Å; F181-V338 HydrophobicContact CE1-CB 3.83Å; F181-V338 HydrophobicContact CE1-CG1 3.66Å; F181-V338 HydrophobicContact CE1-CG2 4.03Å; F181-V338 HydrophobicContact CG-CB 4.41Å; F181-V338 HydrophobicContact CZ-CG2 4.37Å; S182-V338 PolarHBondContact N-O 3.2Å; V336-V338 HydrophobicContact CG1-CG2 4.37Å; V338-F340 HydrophobicContact CG1-CB 3.97Å; V338-F340 PolarHBondContact O-N 3.4Å
339D93.9Very high80.1Confident139 Ų13961 Ų6174%0.74333%0.328SS*.EExtended strand (participates in β ladder)trans-78.176.3175.9-172.524.4000109.9
340F94.2Very high80.6Confident20 Ų2060.5 Ų60.59%0.08832%0.32CS..  trans-157.7129.5-178.4-177.9-114.6000110K49 D95 V97 L118 F181 S182 V338 L342K49-F340 HydrophobicContact CB-CE1 4.25Å; K49-F340 HydrophobicContact CB-CZ 4.47Å; K49-F340 HydrophobicContact CD-CZ 4.45Å; D95-F340 HydrophobicContact CB-CE2 3.84Å; D95-F340 HydrophobicContact CB-CZ 4.14Å; D95-F340 WeakPolarHBondContact O-CZ 3.46Å; V97-F340 HydrophobicContact CG2-CD1 4.27Å; V97-F340 HydrophobicContact CG2-CE1 4.31Å; L118-F340 HydrophobicContact CD1-CD1 4.4Å; L118-F340 HydrophobicContact CD1-CD2 4.42Å; L118-F340 HydrophobicContact CD1-CE1 4.36Å; L118-F340 HydrophobicContact CD1-CE2 4.41Å; L118-F340 HydrophobicContact CD1-CG 4.43Å; L118-F340 HydrophobicContact CD1-CZ 4.39Å; L118-F340 HydrophobicContact CD2-CB 3.62Å; L118-F340 HydrophobicContact CD2-CD1 4Å; L118-F340 HydrophobicContact CD2-CD2 4.18Å; L118-F340 HydrophobicContact CD2-CG 3.68Å; F181-F340 WeakPolarHBondContact CB-O 3.27Å; F181-F340 HydrophobicContact CD1-CB 4.27Å; F181-F340 HydrophobicContact CD1-CD1 4.09Å; F181-F340 HydrophobicContact CE1-CD1 4.42Å; S182-F340 CarbonylContact C-O 3.58Å; S182-F340 PolarHBondContact N-O 3.49Å; S182-F340 CarbonylContact O-C 3.5Å; S182-F340 PolarHBondContact O-N 3.45Å; V338-F340 HydrophobicContact CG1-CB 3.97Å; V338-F340 PolarHBondContact O-N 3.4Å; F340-L342 HydrophobicContact CD1-CD1 4.1Å; F340-L342 HydrophobicContact CE1-CD1 3.91Å; F340-L342 PolarHBondContact O-N 3.41Å
341N92.9Very high80.9Confident41 Ų4160.7 Ų60.722%0.21932%0.322CS..  trans-82.2105.2175.5-171.84.9000110.7K49 S187 C343K49-N341 PolarHBondContact NZ-O 2.92Å; S187-N341 WeakPolarHBondContact CB-ND2 3.45Å; S187-N341 WeakPolarHBondContact CB-OD1 3.25Å; N341-C343 VanDerWaalsContact C-N 3.3Å; N341-C343 WeakPolarHBondContact OD1-CB 3.39Å; N341-C343 PolarHBondContact OD1-N 2.99Å; N341-C343 PolarHBondContact OD1-O 3.18Å
342L93.7Very high80.5Confident1 Ų163.4 Ų63.41%0.00534%0.341CS..  trans-73.7-23176.1-152.372000112.7F15 K49 Y50 V97 F181 V190 I192 F340F15-L342 HydrophobicContact CB-CD2 4.48Å; F15-L342 HydrophobicContact CB-CG 4.28Å; F15-L342 VanDerWaalsContact CB-O 3.23Å; F15-L342 WeakPolarHBondContact CB-O 3.38Å; F15-L342 HydrophobicContact CD2-CD2 3.88Å; F15-L342 HydrophobicContact CD2-CG 4.45Å; F15-L342 HydrophobicContact CE2-CD2 4.47Å; F15-L342 HydrophobicContact CG-CD2 4.33Å; K49-L342 HydrophobicContact CB-CD1 4.06Å; K49-L342 VanDerWaalsContact CD-O 3.23Å; K49-L342 WeakPolarHBondContact CD-O 3.42Å; Y50-L342 HydrophobicContact CD2-CD1 4.2Å; Y50-L342 HydrophobicContact CD2-CD2 4.45Å; V97-L342 HydrophobicContact CG2-CD1 4.26Å; F181-L342 HydrophobicContact CB-CB 4.02Å; F181-L342 HydrophobicContact CD1-CD1 4.24Å; F181-L342 HydrophobicContact CD2-CD2 4.12Å; F181-L342 HydrophobicContact CE1-CD1 4.39Å; F181-L342 HydrophobicContact CE2-CD2 4.48Å; F181-L342 HydrophobicContact CG-CB 4.21Å; F181-L342 HydrophobicContact CG-CD1 4.4Å; F181-L342 HydrophobicContact CG-CD2 4.38Å; V190-L342 HydrophobicContact CB-CB 4.29Å; V190-L342 HydrophobicContact CB-CD2 4.14Å; V190-L342 HydrophobicContact CG1-CD2 3.95Å; V190-L342 HydrophobicContact CG2-CB 4.04Å; I192-L342 HydrophobicContact CD1-CD2 4.2Å; I192-L342 HydrophobicContact CG1-CD2 4.21Å; F340-L342 HydrophobicContact CD1-CD1 4.1Å; F340-L342 HydrophobicContact CE1-CD1 3.91Å; F340-L342 PolarHBondContact O-N 3.41Å
343C91.8Very high79.3Confident0 Ų063.7 Ų63.70%034%0.339CS..BIsolated β-bridgetrans-75.8149.3175.6-64.20000111.2S12 K14 K49 L298 N341S12-C343 VanDerWaalsContact O-CB 3.25Å; S12-C343 WeakPolarHBondContact O-CB 3.43Å; K14-C343 CarbonylContact O-C 3.6Å; K14-C343 VanDerWaalsContact O-CA 3.25Å; K14-C343 WeakPolarHBondContact O-CA 3.32Å; K49-C343 PolarHBondContact NZ-O 3Å; L298-C343 WeakPolarHBondContact CD1-SG 3.11Å; N341-C343 VanDerWaalsContact C-N 3.3Å; N341-C343 WeakPolarHBondContact OD1-CB 3.39Å; N341-C343 PolarHBondContact OD1-N 2.99Å; N341-C343 PolarHBondContact OD1-O 3.18Å
344H88.6Confident77.5Confident6 Ų669.1 Ų69.13%0.02837%0.365CS..PPolyproline II helixtrans-69.5161.5173.1-64.7-50000111.8S12 K14 T16 G47 W348S12-H344 WeakPolarHBondContact CB-O 3.32Å; S12-H344 PolarHBondContact OG-O 3.45Å; K14-H344 PolarHBondContact O-N 3.3Å; T16-H344 WeakPolarHBondContact CB-NE2 3.32Å; T16-H344 PolarHBondContact OG1-NE2 2.83Å; G47-H344 PolarHBondContact O-CE1 3.46Å; H344-W348 HydrophobicContact CB-CB 3.53Å; H344-W348 HydrophobicContact CB-CD2 4.02Å; H344-W348 HydrophobicContact CB-CE3 4.46Å; H344-W348 HydrophobicContact CB-CG 3.6Å; H344-W348 AromaticContact CD2-CD1 3.68Å; H344-W348 AromaticContact CD2-CD2 3.95Å; H344-W348 AromaticContact CD2-CE2 3.87Å; H344-W348 AromaticContact CD2-CG 3.85Å; H344-W348 AromaticContact CD2-NE1 3.66Å; H344-W348 AromaticContact CG-CD2 3.71Å; H344-W348 AromaticContact CG-CG 3.69Å; H344-W348 AromaticContact ND1-CD2 3.99Å; H344-W348 AromaticContact NE2-CE2 3.87Å; H344-W348 AromaticContact NE2-NE1 3.92Å
345S82Confident75.6Confident78 Ų7869.3 Ų69.355%0.54537%0.365SS..PPolyproline II helixtrans-69.6157.5169.653.10000111.3H347 W348S345-H347 PolarHBondContact O-N 3.1Å; S345-W348 WeakPolarHBondContact O-CB 3.31Å; S345-W348 PolarHBondContact O-N 3.23Å
346D66.8Low73.6Confident56 Ų5675.1 Ų75.130%0.29939%0.39SS..THydrogen-bonded Turntrans-58.3-25.5-173-53-7.3000114.3S9 V11 S12 W348S9-D346 VanDerWaalsContact CB-OD2 3.27Å; S9-D346 WeakPolarHBondContact CB-OD2 3.44Å; S9-D346 PolarHBondContact OG-OD2 3.46Å; V11-D346 VanDerWaalsContact CA-OD1 3.26Å; V11-D346 WeakPolarHBondContact CA-OD1 3.31Å; S12-D346 PolarHBondContact N-OD1 3.38Å; D346-W348 VanDerWaalsContact C-N 3.35Å
347H63.4Low72Confident170 Ų17076.8 Ų76.879%0.78740%0.4SS*.THydrogen-bonded Turntrans-91.49.4176.6-57.9-48000114.1S345 P349S345-H347 PolarHBondContact O-N 3.1Å; H347-P349 VanDerWaalsContact O-CD 3.31Å; H347-P349 WeakPolarHBondContact O-CD 3.44Å; H347-P349 VanDerWaalsContact O-N 3.08Å
348W67Low70.5Confident78 Ų7873.2 Ų73.230%0.29539%0.388SS..SBendtrans-60.2117173-175.1-98.5000107.8H344 S345 D346 D350H344-W348 HydrophobicContact CB-CB 3.53Å; H344-W348 HydrophobicContact CB-CD2 4.02Å; H344-W348 HydrophobicContact CB-CE3 4.46Å; H344-W348 HydrophobicContact CB-CG 3.6Å; H344-W348 AromaticContact CD2-CD1 3.68Å; H344-W348 AromaticContact CD2-CD2 3.95Å; H344-W348 AromaticContact CD2-CE2 3.87Å; H344-W348 AromaticContact CD2-CG 3.85Å; H344-W348 AromaticContact CD2-NE1 3.66Å; H344-W348 AromaticContact CG-CD2 3.71Å; H344-W348 AromaticContact CG-CG 3.69Å; H344-W348 AromaticContact ND1-CD2 3.99Å; H344-W348 AromaticContact NE2-CE2 3.87Å; H344-W348 AromaticContact NE2-NE1 3.92Å; S345-W348 WeakPolarHBondContact O-CB 3.31Å; S345-W348 PolarHBondContact O-N 3.23Å; D346-W348 VanDerWaalsContact C-N 3.35Å; W348-D350 PolarHBondContact O-N 3.29Å
349P62.3Low69.4Low75 Ų7576.6 Ų76.649%0.48741%0.409SS..  trans-55.1132.3-176.814.6-21.5000107.3H347 Q351H347-P349 VanDerWaalsContact O-CD 3.31Å; H347-P349 WeakPolarHBondContact O-CD 3.44Å; H347-P349 VanDerWaalsContact O-N 3.08Å; P349-Q351 HydrophobicContact CB-CG 4.29Å; P349-Q351 HydrophobicContact CG-CG 4.35Å; P349-Q351 PolarHBondContact O-N 3.35Å
350D54.1Low68.8Low122 Ų12275.1 Ų75.165%0.65240%0.398SS*.  trans-68.867.4170.8-129.72.3000107.2K14 W348 S352K14-D350 IonicContact NZ-OD1 3.17Å; K14-D350 PolarHBondContact NZ-OD1 3.34Å; K14-D350 IonicContact NZ-OD2 2.97Å; K14-D350 PolarHBondContact NZ-OD2 3.02Å; W348-D350 PolarHBondContact O-N 3.29Å; D350-S352 PolarHBondContact O-N 3.07Å
351Q52.5Low68.5Low111 Ų11176.6 Ų76.652%0.51941%0.406SS..  trans-61.3128.9169.1-66.3-166.5-1.400104.8P349 L353P349-Q351 HydrophobicContact CB-CG 4.29Å; P349-Q351 HydrophobicContact CG-CG 4.35Å; P349-Q351 PolarHBondContact O-N 3.35Å; Q351-L353 HydrophobicContact CB-CB 4.43Å; Q351-L353 HydrophobicContact CB-CD1 3.82Å; Q351-L353 HydrophobicContact CB-CG 3.61Å; Q351-L353 HydrophobicContact CG-CD1 4.48Å; Q351-L353 PolarHBondContact O-N 3.17Å
352S46Very low68.5Low121 Ų12175.7 Ų75.785%0.84640%0.401SS*.  trans-65.164.9164.558.70000108.7D350 Q354D350-S352 PolarHBondContact O-N 3.07Å; S352-Q354 PolarHBondContact O-N 3.28Å
353L49.2Very low68.6Low51 Ų5178 Ų7827%0.26742%0.416SS..  trans-95.740.5174.7-73.6170.9000109.1Q351 P355Q351-L353 HydrophobicContact CB-CB 4.43Å; Q351-L353 HydrophobicContact CB-CD1 3.82Å; Q351-L353 HydrophobicContact CB-CG 3.61Å; Q351-L353 HydrophobicContact CG-CD1 4.48Å; Q351-L353 PolarHBondContact O-N 3.17Å; L353-P355 VanDerWaalsContact O-CD 3.25Å; L353-P355 WeakPolarHBondContact O-CD 3.5Å
354Q53Low68.8Low126 Ų12679.8 Ų79.859%0.58943%0.428SS*.  trans-72.9111.1147.1-71.7-93.4-40.400102.8S352S352-Q354 PolarHBondContact O-N 3.28Å
355P53.4Low69.2Low26 Ų2684 Ų8417%0.16946%0.455CS..  trans-51.8150175.4-22.333.9000108.9F279 V294 L353 V357F279-P355 HydrophobicContact CB-CG 4.1Å; F279-P355 HydrophobicContact CD2-CB 3.41Å; F279-P355 VanDerWaalsContact CD2-CB 3.41Å; F279-P355 HydrophobicContact CD2-CG 3.5Å; F279-P355 VanDerWaalsContact CD2-CG 3.5Å; F279-P355 HydrophobicContact CE2-CB 4.05Å; F279-P355 HydrophobicContact CE2-CG 4.31Å; F279-P355 HydrophobicContact CG-CB 4.39Å; F279-P355 HydrophobicContact CG-CG 4.1Å; V294-P355 HydrophobicContact CG2-CG 4.47Å; L353-P355 VanDerWaalsContact O-CD 3.25Å; L353-P355 WeakPolarHBondContact O-CD 3.5Å; P355-V357 WeakPolarHBondContact O-CG2 3.48Å; P355-V357 PolarHBondContact O-N 2.84Å
356H52.6Low69.9Low166 Ų16683.5 Ų83.577%0.76945%0.445SS*.  trans-54.7112.6166.6-17464000107.5D358H356-D358 PolarHBondContact O-N 3.09Å
357V63.9Low71.3Confident56 Ų5680.9 Ų80.934%0.33943%0.43SS..  trans-77.881-180-175.70000106.7V277 I278 P355 T359V277-V357 HydrophobicContact CG1-CG1 4.24Å; V277-V357 WeakPolarHBondContact O-CG1 3.2Å; I278-V357 WeakPolarHBondContact O-CG2 3.39Å; P355-V357 WeakPolarHBondContact O-CG2 3.48Å; P355-V357 PolarHBondContact O-N 2.84Å; V357-T359 HydrophobicContact CG1-CG2 3.47Å; V357-T359 VanDerWaalsContact CG1-CG2 3.47Å; V357-T359 PolarHBondContact O-N 2.68Å
358D63.9Low72.9Confident89 Ų8977.6 Ų77.648%0.47642%0.417SS..  trans-81.891.1165.3-167.2-0.5000108H356 H360H356-D358 PolarHBondContact O-N 3.09Å; D358-H360 PolarHBondContact O-N 3.08Å; D358-H360 WeakPolarHBondContact OD1-CB 3.49Å; D358-H360 PolarHBondContact OD1-N 2.85Å
359T71.8Confident74.3Confident77 Ų7776.7 Ų76.747%0.47242%0.423SS..  trans-80.823.8170.954.90000111.7V277 V357 I361V277-T359 HydrophobicContact CB-CG2 4.1Å; V277-T359 HydrophobicContact CG1-CG2 3.84Å; V357-T359 HydrophobicContact CG1-CG2 3.47Å; V357-T359 VanDerWaalsContact CG1-CG2 3.47Å; V357-T359 PolarHBondContact O-N 2.68Å; T359-I361 PolarHBondContact O-N 3.18Å
360H81.6Confident75.9Confident108 Ų10878.6 Ų78.650%0.542%0.421SS..  trans-64.8112.5176.1-176.739.9000110.4D358D358-H360 PolarHBondContact O-N 3.08Å; D358-H360 WeakPolarHBondContact OD1-CB 3.49Å; D358-H360 PolarHBondContact OD1-N 2.85Å
361I88.3Confident77.9Confident51 Ų5172.9 Ų72.926%0.26239%0.391SS..PPolyproline II helixtrans-91.8126.4171.6-56.7178.9000107N232 I235 T359N232-I361 WeakPolarHBondContact OD1-CD1 3.11Å; I235-I361 HydrophobicContact CD1-CD1 3.65Å; I235-I361 HydrophobicContact CD1-CG1 4.02Å; T359-I361 PolarHBondContact O-N 3.18Å
362L92.8Very high80Confident22 Ų2270.4 Ų70.412%0.11539%0.385CS..PPolyproline II helixtrans-61.1134.5-179.6-64.7178.7000110.1Q283 F284 E366 E367 Y370Q283-L362 HydrophobicContact CB-CD1 3.96Å; Q283-L362 HydrophobicContact CB-CG 4.48Å; Q283-L362 HydrophobicContact CG-CD1 4.39Å; F284-L362 HydrophobicContact CD2-CD1 3.91Å; F284-L362 HydrophobicContact CE2-CD1 3.96Å; L362-E366 HydrophobicContact CB-CB 4.23Å; L362-E366 HydrophobicContact CD2-CB 4.36Å; L362-E366 WeakPolarHBondContact CD2-OE2 3.3Å; L362-E367 HydrophobicContact CB-CG 3.7Å; L362-E367 HydrophobicContact CD1-CG 4.48Å; L362-Y370 HydrophobicContact CD1-CD2 3.59Å; L362-Y370 HydrophobicContact CD1-CE2 4.1Å; L362-Y370 HydrophobicContact CD2-CD2 4.38Å; L362-Y370 HydrophobicContact CD2-CE2 4.04Å
363P94.8Very high82.4Confident50 Ų5066.7 Ų66.733%0.32536%0.362SS..PPolyproline II helixtrans-66.4155.117130.4-35.5000109.8P365 E366 E367P363-P365 VanDerWaalsContact C-CD 3.41Å; P363-P365 VanDerWaalsContact C-N 3.33Å; P363-P365 VanDerWaalsContact O-N 3.13Å; P363-E366 HydrophobicContact CG-CB 4.03Å; P363-E366 HydrophobicContact CG-CG 3.81Å; P363-E366 PolarHBondContact O-N 3.13Å; P363-E367 PolarHBondContact O-N 3.1Å; P363-E367 VanDerWaalsContact O-N 3.08Å
364P96.4Very high84.7Confident37 Ų3764.4 Ų64.424%0.2435%0.349CS..Hα-helixtrans-52.3-38.8-175.1-26.834000115.6L228 R229 E366 E367 I368L228-P364 HydrophobicContact CD1-CB 4.35Å; R229-P364 HydrophobicContact CG-CG 4.25Å; R229-P364 VanDerWaalsContact NE-CG 3.33Å; P364-E366 VanDerWaalsContact C-N 3.31Å; P364-E366 PolarHBondContact O-N 3.04Å; P364-E367 PolarHBondContact O-N 3.47Å; P364-I368 WeakPolarHBondContact O-CB 3.39Å; P364-I368 WeakPolarHBondContact O-CD1 3.39Å; P364-I368 WeakPolarHBondContact O-CG1 3.36Å; P364-I368 PolarHBondContact O-N 3.47Å
365P97.3Very high86.7Confident93 Ų9362.1 Ų62.160%0.60434%0.336SS*.Hα-helixtrans-61.7-36.2175.1-2436000113.7P363 S369P363-P365 VanDerWaalsContact C-CD 3.41Å; P363-P365 VanDerWaalsContact C-N 3.33Å; P363-P365 VanDerWaalsContact O-N 3.13Å; P365-S369 PolarHBondContact O-N 3.08Å
366E96.3Very high88.8Confident69 Ų6964.2 Ų64.232%0.32235%0.345SS..Hα-helixtrans-74-41.7177.8-71.3179.2-152.700111.2L362 P363 P364 I368 S369 Y370L362-E366 HydrophobicContact CB-CB 4.23Å; L362-E366 HydrophobicContact CD2-CB 4.36Å; L362-E366 WeakPolarHBondContact CD2-OE2 3.3Å; P363-E366 HydrophobicContact CG-CB 4.03Å; P363-E366 HydrophobicContact CG-CG 3.81Å; P363-E366 PolarHBondContact O-N 3.13Å; P364-E366 VanDerWaalsContact C-N 3.31Å; P364-E366 PolarHBondContact O-N 3.04Å; E366-I368 VanDerWaalsContact C-N 3.28Å; E366-I368 PolarHBondContact O-N 2.93Å; E366-S369 WeakPolarHBondContact O-CA 3.34Å; E366-S369 PolarHBondContact O-N 3.16Å; E366-S369 PolarHBondContact O-OG 3.45Å; E366-Y370 HydrophobicContact CB-CE2 4.45Å; E366-Y370 PolarHBondContact O-N 2.88Å
367E96.1Very high90.9Very high1 Ų162 Ų621%0.00533%0.33CS..Hα-helixtrans-56.1-43.9171.9-72.3-168.3157.800111.5L228 R229 Q283 L362 P363 P364 S369 Y370 G371L228-E367 HydrophobicContact CD1-CB 3.96Å; L228-E367 WeakPolarHBondContact CD1-OE2 3.43Å; R229-E367 PolarHBondContact N-OE2 2.65Å; Q283-E367 PolarHBondContact NE2-OE1 2.72Å; Q283-E367 VanDerWaalsContact NE2-OE1 3.15Å; Q283-E367 PolarHBondContact OE1-OE1 2.93Å; L362-E367 HydrophobicContact CB-CG 3.7Å; L362-E367 HydrophobicContact CD1-CG 4.48Å; P363-E367 PolarHBondContact O-N 3.1Å; P363-E367 VanDerWaalsContact O-N 3.08Å; P364-E367 PolarHBondContact O-N 3.47Å; E367-S369 VanDerWaalsContact C-N 3.26Å; E367-S369 PolarHBondContact O-N 2.92Å; E367-Y370 PolarHBondContact O-N 2.81Å; E367-G371 PolarHBondContact O-N 3.06Å
368I97Very high92.5Very high100 Ų10059.3 Ų59.351%0.51331%0.314SS..Hα-helixtrans-64.9-30.2175.9-68.8165.2000111.6L228 P364 E366 P372L228-I368 HydrophobicContact CD1-CD1 4.23Å; L228-I368 HydrophobicContact CD1-CG1 3.75Å; P364-I368 WeakPolarHBondContact O-CB 3.39Å; P364-I368 WeakPolarHBondContact O-CD1 3.39Å; P364-I368 WeakPolarHBondContact O-CG1 3.36Å; P364-I368 PolarHBondContact O-N 3.47Å; E366-I368 VanDerWaalsContact C-N 3.28Å; E366-I368 PolarHBondContact O-N 2.93Å; I368-P372 WeakPolarHBondContact O-CD 3.33Å; I368-P372 WeakPolarHBondContact O-CG 3.13Å
369S97Very high94Very high59 Ų5957.6 Ų57.641%0.41331%0.305SS..Hα-helixtrans-78.2-41.9177.682.50000112.2P365 E366 E367 A373P365-S369 PolarHBondContact O-N 3.08Å; E366-S369 WeakPolarHBondContact O-CA 3.34Å; E366-S369 PolarHBondContact O-N 3.16Å; E366-S369 PolarHBondContact O-OG 3.45Å; E367-S369 VanDerWaalsContact C-N 3.26Å; E367-S369 PolarHBondContact O-N 2.92Å; S369-A373 WeakPolarHBondContact O-CB 3.14Å
370Y96.3Very high95.1Very high115 Ų11555.7 Ų55.745%0.45129%0.291SS..Hα-helixtrans-86.9-42.3-170.5-64.4-13.7000113.1F284 L362 E366 E367 A373 L374F284-Y370 VanDerWaalsContact CD2-CB 3.5Å; F284-Y370 HydrophobicContact CD2-CD2 4.43Å; L362-Y370 HydrophobicContact CD1-CD2 3.59Å; L362-Y370 HydrophobicContact CD1-CE2 4.1Å; L362-Y370 HydrophobicContact CD2-CD2 4.38Å; L362-Y370 HydrophobicContact CD2-CE2 4.04Å; E366-Y370 HydrophobicContact CB-CE2 4.45Å; E366-Y370 PolarHBondContact O-N 2.88Å; E367-Y370 PolarHBondContact O-N 2.81Å; Y370-A373 PolarHBondContact O-N 3.4Å; Y370-L374 WeakPolarHBondContact O-CB 3.39Å; Y370-L374 PolarHBondContact O-N 3.42Å
371G95.6Very high95.8Very high2 Ų254.4 Ų54.42%0.02128%0.282CS..Hα-helixtrans-61-56.4-177.600000112.9F284 E367 A373 L374 W375F284-G371 VanDerWaalsContact CE1-CA 3.46Å; E367-G371 PolarHBondContact O-N 3.06Å; G371-A373 VanDerWaalsContact C-N 3.34Å; G371-A373 PolarHBondContact O-N 2.98Å; G371-L374 PolarHBondContact O-N 3.08Å; G371-W375 PolarHBondContact O-N 3.07Å
372P95.9Very high96.1Very high60 Ų6053.2 Ų53.239%0.3927%0.274SS..Hα-helixtrans-59.5-36.4172.8-2837.7000114.2I368 W375 L376I368-P372 WeakPolarHBondContact O-CD 3.33Å; I368-P372 WeakPolarHBondContact O-CG 3.13Å; P372-W375 PolarHBondContact O-N 3Å; P372-L376 WeakPolarHBondContact O-CB 3.38Å; P372-L376 WeakPolarHBondContact O-CG 3.23Å; P372-L376 PolarHBondContact O-N 3.15Å
373A96.7Very high96.3Very high43 Ų4355.3 Ų55.336%0.35529%0.291SS..Hα-helixtrans-63.6-44.3176.500000112S369 Y370 G371 W375 L376 W377S369-A373 WeakPolarHBondContact O-CB 3.14Å; Y370-A373 PolarHBondContact O-N 3.4Å; G371-A373 VanDerWaalsContact C-N 3.34Å; G371-A373 PolarHBondContact O-N 2.98Å; A373-W375 VanDerWaalsContact C-N 3.34Å; A373-L376 PolarHBondContact O-N 3.17Å; A373-W377 WeakPolarHBondContact O-CB 3.1Å; A373-W377 PolarHBondContact O-N 3.21Å
374L97Very high96.3Very high2 Ų262 Ų621%0.0132%0.315CS..Hα-helixtrans-61.6-43.8174.1178.960.5000111.4R256 F284 G285 F286 Y370 G371 W377 D378R256-L374 HydrophobicContact CG-CD2 4Å; F284-L374 HydrophobicContact CB-CD2 4.09Å; F284-L374 HydrophobicContact CD1-CD2 4.22Å; G285-L374 WeakPolarHBondContact O-CD1 3.48Å; F286-L374 HydrophobicContact CD1-CD1 3.73Å; F286-L374 HydrophobicContact CE1-CD1 4.02Å; Y370-L374 WeakPolarHBondContact O-CB 3.39Å; Y370-L374 PolarHBondContact O-N 3.42Å; G371-L374 PolarHBondContact O-N 3.08Å; L374-W377 PolarHBondContact O-N 3.37Å; L374-D378 PolarHBondContact O-N 3.26Å
375W97Very high96.2Very high78 Ų7863.3 Ų63.330%0.29533%0.325SS..Hα-helixtrans-61.1-46177.9-177.383.3000112C258 C264 G371 P372 A373 D378 N379C258-W375 HydrophobicContact CB-CG 4.38Å; C258-W375 PolarHBondContact SG-NE1 3.44Å; C264-W375 HydrophobicContact CB-CB 4.18Å; C264-W375 HydrophobicContact CB-CG 4.48Å; G371-W375 PolarHBondContact O-N 3.07Å; P372-W375 PolarHBondContact O-N 3Å; A373-W375 VanDerWaalsContact C-N 3.34Å; W375-D378 PolarHBondContact O-N 3.23Å; W375-N379 PolarHBondContact NE1-ND2 3.38Å; W375-N379 WeakPolarHBondContact O-CB 3.05Å; W375-N379 PolarHBondContact O-N 3.17Å; W375-N379 PolarHBondContact O-ND2 3.16Å
376L96.5Very high96.2Very high70 Ų7065.5 Ų65.537%0.36634%0.343SS..Hα-helixtrans-62-43.4176.2-75.1170.4000111.6P372 A373 N379 L380 F388P372-L376 WeakPolarHBondContact O-CB 3.38Å; P372-L376 WeakPolarHBondContact O-CG 3.23Å; P372-L376 PolarHBondContact O-N 3.15Å; A373-L376 PolarHBondContact O-N 3.17Å; L376-N379 PolarHBondContact O-N 2.92Å; L376-L380 WeakPolarHBondContact O-CB 3.2Å; L376-L380 PolarHBondContact O-N 2.92Å; L376-F388 HydrophobicContact CB-CZ 3.96Å; L376-F388 HydrophobicContact CD2-CD1 4.44Å; L376-F388 HydrophobicContact CD2-CE1 3.77Å; L376-F388 HydrophobicContact CD2-CZ 4.03Å; L376-F388 WeakPolarHBondContact O-CZ 3.19Å
377W96.7Very high96.2Very high119 Ų11964 Ų6445%0.45135%0.345SS..Hα-helixtrans-59.5-48.4177.4173.2-107.9000112.5F286 A373 L374 L380 R381F286-W377 HydrophobicContact CD1-CB 4.14Å; F286-W377 AromaticContact CD1-CD1 3.31Å; F286-W377 HydrophobicContact CD1-CD2 4.47Å; F286-W377 AromaticContact CD1-CG 3.7Å; F286-W377 HydrophobicContact CD1-CG 3.7Å; F286-W377 AromaticContact CD1-NE1 3.79Å; F286-W377 HydrophobicContact CE1-CB 3.64Å; F286-W377 AromaticContact CE1-CD1 3.76Å; F286-W377 AromaticContact CE1-CG 3.66Å; F286-W377 HydrophobicContact CE1-CG 3.66Å; A373-W377 WeakPolarHBondContact O-CB 3.1Å; A373-W377 PolarHBondContact O-N 3.21Å; L374-W377 PolarHBondContact O-N 3.37Å; W377-L380 PolarHBondContact O-N 3.46Å; W377-R381 WeakPolarHBondContact O-CG 3.42Å; W377-R381 PolarHBondContact O-N 3.38Å
378D97.1Very high96.2Very high1 Ų170.1 Ų70.11%0.00537%0.372CS..Hα-helixtrans-64.1-42178.6-79.3-21.5000111.6N23 G257 C258 L374 W375 L380 R381 R382N23-D378 PolarHBondContact ND2-OD1 2.9Å; N23-D378 PolarHBondContact ND2-OD2 3.29Å; G257-D378 WeakPolarHBondContact CA-OD2 3.2Å; C258-D378 HydrophobicContact CB-CB 3.88Å; C258-D378 PolarHBondContact N-OD2 3.45Å; L374-D378 PolarHBondContact O-N 3.26Å; W375-D378 PolarHBondContact O-N 3.23Å; D378-L380 PolarHBondContact O-N 3.13Å; D378-R381 WeakPolarHBondContact O-CG 3.13Å; D378-R381 IonicContact OD1-CZ 2.69Å; D378-R381 IonicContact OD1-NE 3.03Å; D378-R381 PolarHBondContact OD1-NE 3.39Å; D378-R381 IonicContact OD1-NH2 3.4Å; D378-R381 PolarHBondContact OD1-NH2 3.5Å; D378-R382 WeakPolarHBondContact O-CB 3.47Å; D378-R382 WeakPolarHBondContact O-CG 3.32Å; D378-R382 PolarHBondContact O-N 3.03Å
379N95.3Very high96.2Very high53 Ų5374.4 Ų74.428%0.28339%0.387SS..Hα-helixtrans-61.3-44175.1-86.3-89000112W375 L376 S383W375-N379 PolarHBondContact NE1-ND2 3.38Å; W375-N379 WeakPolarHBondContact O-CB 3.05Å; W375-N379 PolarHBondContact O-N 3.17Å; W375-N379 PolarHBondContact O-ND2 3.16Å; L376-N379 PolarHBondContact O-N 2.92Å; N379-S383 WeakPolarHBondContact O-CB 3.33Å; N379-S383 PolarHBondContact O-N 3.38Å; N379-S383 PolarHBondContact O-OG 2.9Å
380L95.9Very high96.2Very high37 Ų3777.9 Ų77.919%0.19440%0.401CS..Hα-helixtrans-61.7-53.1178.9-178.862.7000111.3L376 W377 D378 R382 S383 K384 S385 F388L376-L380 WeakPolarHBondContact O-CB 3.2Å; L376-L380 PolarHBondContact O-N 2.92Å; W377-L380 PolarHBondContact O-N 3.46Å; D378-L380 PolarHBondContact O-N 3.13Å; L380-R382 PolarHBondContact O-N 3.02Å; L380-S383 PolarHBondContact O-OG 3.25Å; L380-S383 VanDerWaalsContact O-OG 3.14Å; L380-K384 PolarHBondContact O-N 3.3Å; L380-S385 WeakPolarHBondContact CD1-O 3.47Å; L380-F388 HydrophobicContact CB-CE1 4.47Å; L380-F388 HydrophobicContact CB-CE2 4.26Å; L380-F388 HydrophobicContact CB-CZ 3.75Å; L380-F388 HydrophobicContact CD1-CE2 4.4Å; L380-F388 HydrophobicContact CD1-CZ 4.35Å; L380-F388 HydrophobicContact CD2-CE2 3.91Å; L380-F388 HydrophobicContact CD2-CZ 4.27Å; L380-F388 HydrophobicContact CG-CE2 4.42Å; L380-F388 HydrophobicContact CG-CZ 4.34Å
381R95.6Very high96.2Very high80 Ų8076.6 Ų76.630%0.30241%0.408SS..Hα-helixtrans-68.4-34.4-175.876.6-174.3178.6108.8-11112.8N23 D288 W377 D378N23-R381 PolarHBondContact ND2-NH2 2.99Å; D288-R381 IonicContact OD1-CZ 3.06Å; D288-R381 IonicContact OD1-NH1 3.91Å; D288-R381 PolarHBondContact OD1-NH1 3.31Å; D288-R381 IonicContact OD1-NH2 3.87Å; D288-R381 PolarHBondContact OD1-NH2 2.99Å; D288-R381 IonicContact OD2-NH1 3.81Å; W377-R381 WeakPolarHBondContact O-CG 3.42Å; W377-R381 PolarHBondContact O-N 3.38Å; D378-R381 WeakPolarHBondContact O-CG 3.13Å; D378-R381 IonicContact OD1-CZ 2.69Å; D378-R381 IonicContact OD1-NE 3.03Å; D378-R381 PolarHBondContact OD1-NE 3.39Å; D378-R381 IonicContact OD1-NH2 3.4Å; D378-R381 PolarHBondContact OD1-NH2 3.5Å
382R95.7Very high96.1Very high26 Ų2683.9 Ų83.910%0.09845%0.445CS..Hα-helixtrans-81.4-34.8-178.2-67.8172.6-174.2-152.1-10.3112.6N23 Q24 W25 C258 D378 L380 K384N23-R382 PolarHBondContact O-NH2 3.21Å; N23-R382 PolarHBondContact OD1-NH2 3.38Å; Q24-R382 PolarHBondContact O-NH1 3.45Å; Q24-R382 PolarHBondContact O-NH2 3.03Å; W25-R382 HydrophobicContact CD2-CG 4.22Å; W25-R382 HydrophobicContact CE3-CG 4.41Å; W25-R382 HydrophobicContact CH2-CB 4.2Å; W25-R382 HydrophobicContact CZ2-CB 3.89Å; W25-R382 HydrophobicContact CZ2-CG 4.34Å; C258-R382 PolarHBondContact O-NH1 3.46Å; D378-R382 WeakPolarHBondContact O-CB 3.47Å; D378-R382 WeakPolarHBondContact O-CG 3.32Å; D378-R382 PolarHBondContact O-N 3.03Å; L380-R382 PolarHBondContact O-N 3.02Å; R382-K384 PolarHBondContact O-N 2.98Å
383S95.4Very high95.5Very high67 Ų6792.2 Ų92.247%0.46948%0.484SS..Hα-helixtrans-71.3-15.7173.565.60000113.3N379 L380 S385N379-S383 WeakPolarHBondContact O-CB 3.33Å; N379-S383 PolarHBondContact O-N 3.38Å; N379-S383 PolarHBondContact O-OG 2.9Å; L380-S383 PolarHBondContact O-OG 3.25Å; L380-S383 VanDerWaalsContact O-OG 3.14Å; S383-S385 WeakPolarHBondContact CB-OG 3.41Å; S383-S385 PolarHBondContact O-N 3.42Å; S383-S385 WeakPolarHBondContact OG-CB 3.38Å; S383-S385 PolarHBondContact OG-N 2.8Å; S383-S385 PolarHBondContact OG-OG 3.01Å
384K94.9Very high95.5Very high190 Ų19094.7 Ų94.783%0.82649%0.491SS*.THydrogen-bonded Turntrans57.522.9-171.4-54.4-178.7179.9176.90113L380 R382L380-K384 PolarHBondContact O-N 3.3Å; R382-K384 PolarHBondContact O-N 2.98Å
385S95.5Very high95.4Very high65 Ų6599.6 Ų99.646%0.45552%0.516SS..  trans-70.3154.1175.4-58.10000110.4L380 S383 G387L380-S385 WeakPolarHBondContact CD1-O 3.47Å; S383-S385 WeakPolarHBondContact CB-OG 3.41Å; S383-S385 PolarHBondContact O-N 3.42Å; S383-S385 WeakPolarHBondContact OG-CB 3.38Å; S383-S385 PolarHBondContact OG-N 2.8Å; S383-S385 PolarHBondContact OG-OG 3.01Å; S385-G387 VanDerWaalsContact C-N 3.35Å
386S96.4Very high95.3Very high139 Ų139100.8 Ų100.897%0.97253%0.528SS*.SBendtrans-82.7-8.1-179.858.50000114.4
387G96.3Very high95.2Very high37 Ų37102.6 Ų102.638%0.38154%0.538SS..  trans162.6-161.1-178.200000112.7S385S385-G387 VanDerWaalsContact C-N 3.35Å
388F96.7Very high95.2Very high130 Ų130101.6 Ų101.657%0.5754%0.543SS*.  trans-118.6150.7178.7-56.9-78.7000111L376 L380L376-F388 HydrophobicContact CB-CZ 3.96Å; L376-F388 HydrophobicContact CD2-CD1 4.44Å; L376-F388 HydrophobicContact CD2-CE1 3.77Å; L376-F388 HydrophobicContact CD2-CZ 4.03Å; L376-F388 WeakPolarHBondContact O-CZ 3.19Å; L380-F388 HydrophobicContact CB-CE1 4.47Å; L380-F388 HydrophobicContact CB-CE2 4.26Å; L380-F388 HydrophobicContact CB-CZ 3.75Å; L380-F388 HydrophobicContact CD1-CE2 4.4Å; L380-F388 HydrophobicContact CD1-CZ 4.35Å; L380-F388 HydrophobicContact CD2-CE2 3.91Å; L380-F388 HydrophobicContact CD2-CZ 4.27Å; L380-F388 HydrophobicContact CG-CE2 4.42Å; L380-F388 HydrophobicContact CG-CZ 4.34Å
389F96.6Very high95Very high189 Ų189108.3 Ų108.383%0.82958%0.579SS**  trans-110120.8166.4176.4-102.2000108.7C391F389-C391 WeakPolarHBondContact CE1-SG 3.45Å; F389-C391 WeakPolarHBondContact CZ-SG 3.39Å
390L96.7Very high95Very high132 Ų132112.2 Ų112.269%0.69160%0.6SS**  trans-128.2110.4-177.6-178.366000109.6L392L390-L392 HydrophobicContact CD2-CD2 3.96Å; L390-L392 HydrophobicContact CD2-CG 4.38Å; L390-L392 HydrophobicContact CG-CD2 4.14Å; L390-L392 HydrophobicContact CG-CG 4.36Å; L390-L392 PolarHBondContact O-N 3.25Å
391C96.2Very high94.9Very high89 Ų89118 Ų11860%0.60163%0.632SS**  trans-77.7110.7171.5-70.60000110.1F389F389-C391 WeakPolarHBondContact CE1-SG 3.45Å; F389-C391 WeakPolarHBondContact CZ-SG 3.39Å
392L95.1Very high94.9Very high154 Ų154121.2 Ų121.281%0.80666%0.659SS**  trans-93.8119.8169.2-62.8172.8000108.2L390L390-L392 HydrophobicContact CD2-CD2 3.96Å; L390-L392 HydrophobicContact CD2-CG 4.38Å; L390-L392 HydrophobicContact CG-CD2 4.14Å; L390-L392 HydrophobicContact CG-CG 4.36Å; L390-L392 PolarHBondContact O-N 3.25Å
393I83.3Confident94.8Very high236 Ų236129.8 Ų129.8100%1.2171%0.71SS**  trans-94.90178.1-59.2175.8000109.6

Retrieved 393 of 393 residues in 272.2 ms (Link to these results)

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