A0A5K4EQI1_SCHMA Loading...

NAD(P)H-hydrate epimerase

Catalyzes the epimerization of the S- and R-forms of NAD(P)HX, a damaged form of NAD(P)H that is a result of enzymatic or heat-dependent hydration. This is a prerequisite for the S-specific NAD(P)H-hydrate dehydratase to allow the repair of both epimers of NAD(P)HX.

AlphaFold DB , UniProt , Accession A0A5K4EQI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 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
1M94.4Very high96.4Very high26 Ų2655.6 Ų55.613%0.12827%0.27CS..  0132.70-173.8-176-8300110E5 A6 V9 A187 P188 L190 L217M1-E5 HydrophobicContact CG-CB 3.67Å; M1-A6 HydrophobicContact CG-CB 4.2Å; M1-A6 WeakPolarHBondContact SD-CA 3.49Å; M1-A6 HydrophobicContact SD-CB 3.6Å; M1-A6 VanDerWaalsContact SD-CB 3.6Å; M1-V9 HydrophobicContact CE-CG2 4Å; M1-A187 HydrophobicContact CB-CB 4.28Å; M1-A187 HydrophobicContact CE-CB 3.43Å; M1-A187 VanDerWaalsContact CE-CB 3.43Å; M1-A187 HydrophobicContact SD-CB 4.17Å; M1-P188 PolarHBondContact N-O 3Å; M1-L190 PolarHBondContact O-N 3.36Å; M1-L217 HydrophobicContact CE-CD1 3.6Å; M1-L217 HydrophobicContact CE-CD2 3.39Å; M1-L217 HydrophobicContact CE-CG 4.15Å
2Y95.3Very high96.5Very high131 Ų13152.8 Ų52.851%0.51426%0.256SS..  trans-68.9158.5175.2-74.2-88000111.4V4 E5 A6 L190Y2-V4 VanDerWaalsContact C-N 3.29Å; Y2-V4 PolarHBondContact O-N 2.8Å; Y2-E5 WeakPolarHBondContact CD2-OE2 3.3Å; Y2-E5 PolarHBondContact N-OE2 2.96Å; Y2-E5 PolarHBondContact O-N 2.84Å; Y2-A6 PolarHBondContact O-N 3.17Å; Y2-L190 HydrophobicContact CD1-CD1 3.47Å; Y2-L190 VanDerWaalsContact CD1-CD1 3.47Å; Y2-L190 HydrophobicContact CD2-CD1 4.18Å; Y2-L190 HydrophobicContact CE1-CD1 3.37Å; Y2-L190 HydrophobicContact CE2-CD1 4.1Å; Y2-L190 HydrophobicContact CG-CD1 3.88Å
3Q95.3Very high96.7Very high36 Ų3648.8 Ų48.817%0.16824%0.237CC..Hα-helixtrans-62.3-39.8-178.7-170.6178.731.600111.7A6 Q7 F131 F133 V166 E167Q3-A6 PolarHBondContact O-N 2.77Å; Q3-Q7 WeakPolarHBondContact O-CG 3.44Å; Q3-Q7 PolarHBondContact O-N 2.62Å; Q3-Q7 VanDerWaalsContact O-N 3.15Å; Q3-F131 WeakPolarHBondContact CG-O 3.06Å; Q3-F131 PolarHBondContact NE2-O 2.88Å; Q3-F133 PolarHBondContact NE2-O 2.74Å; Q3-V166 HydrophobicContact CB-CB 4.24Å; Q3-V166 HydrophobicContact CB-CG1 3.89Å; Q3-V166 HydrophobicContact CG-CB 4.32Å; Q3-V166 HydrophobicContact CG-CG1 4.11Å; Q3-V166 HydrophobicContact CG-CG2 4.35Å; Q3-E167 HydrophobicContact CB-CG 4.49Å; Q3-E167 PolarHBondContact N-OE1 2.91Å
4V96.2Very high96.7Very high85 Ų8549.6 Ų49.652%0.51524%0.239SC..Hα-helixtrans-66.9-43.2178.1176.50000111.3Y2 A6 Q7 Q8Y2-V4 VanDerWaalsContact C-N 3.29Å; Y2-V4 PolarHBondContact O-N 2.8Å; V4-A6 VanDerWaalsContact C-N 3.33Å; V4-A6 PolarHBondContact O-N 3.06Å; V4-Q7 WeakPolarHBondContact O-CB 3.45Å; V4-Q7 PolarHBondContact O-N 2.74Å; V4-Q8 HydrophobicContact CG1-CG 4.43Å; V4-Q8 VanDerWaalsContact O-CG 3.3Å; V4-Q8 WeakPolarHBondContact O-CG 3.48Å; V4-Q8 PolarHBondContact O-N 3.03Å
5E96.3Very high96.7Very high51 Ų5151.5 Ų51.524%0.23825%0.254CS..Hα-helixtrans-59.7-43.8174.3-87.3-177.3117.300111.7M1 Y2 Q7 Q8 V9 Y215M1-E5 HydrophobicContact CG-CB 3.67Å; Y2-E5 WeakPolarHBondContact CD2-OE2 3.3Å; Y2-E5 PolarHBondContact N-OE2 2.96Å; Y2-E5 PolarHBondContact O-N 2.84Å; E5-Q7 VanDerWaalsContact C-N 3.27Å; E5-Q7 PolarHBondContact O-N 2.84Å; E5-Q8 PolarHBondContact O-N 2.86Å; E5-Q8 VanDerWaalsContact O-N 3.08Å; E5-V9 WeakPolarHBondContact O-CG2 3.4Å; E5-V9 PolarHBondContact O-N 2.93Å; E5-Y215 HydrophobicContact CG-CD1 4.14Å; E5-Y215 HydrophobicContact CG-CE1 4.48Å
6A96.7Very high96.8Very high3 Ų357.2 Ų57.23%0.02528%0.28CS..Hα-helixtrans-58.9-40.8177.800000111.8M1 Y2 Q3 V4 D10 F131 K189M1-A6 HydrophobicContact CG-CB 4.2Å; M1-A6 WeakPolarHBondContact SD-CA 3.49Å; M1-A6 HydrophobicContact SD-CB 3.6Å; M1-A6 VanDerWaalsContact SD-CB 3.6Å; Y2-A6 PolarHBondContact O-N 3.17Å; Q3-A6 PolarHBondContact O-N 2.77Å; V4-A6 VanDerWaalsContact C-N 3.33Å; V4-A6 PolarHBondContact O-N 3.06Å; A6-D10 WeakPolarHBondContact O-CB 3.4Å; A6-D10 PolarHBondContact O-N 3.15Å; A6-D10 VanDerWaalsContact O-N 3.07Å; A6-F131 HydrophobicContact CB-CD2 3.43Å; A6-F131 VanDerWaalsContact CB-CD2 3.43Å; A6-F131 HydrophobicContact CB-CE2 3.69Å; A6-F131 HydrophobicContact CB-CG 3.92Å; A6-F131 HydrophobicContact CB-CZ 4.34Å; A6-K189 HydrophobicContact CB-CD 4.43Å
7Q96.9Very high96.8Very high75 Ų7558.4 Ų58.435%0.3528%0.282SS..Hα-helixtrans-64.8-38.9174.8-68.2168.513.400112.4Q3 V4 E5 N11 F131Q3-Q7 WeakPolarHBondContact O-CG 3.44Å; Q3-Q7 PolarHBondContact O-N 2.62Å; Q3-Q7 VanDerWaalsContact O-N 3.15Å; V4-Q7 WeakPolarHBondContact O-CB 3.45Å; V4-Q7 PolarHBondContact O-N 2.74Å; E5-Q7 VanDerWaalsContact C-N 3.27Å; E5-Q7 PolarHBondContact O-N 2.84Å; Q7-N11 VanDerWaalsContact O-CB 3.29Å; Q7-N11 WeakPolarHBondContact O-CB 3.49Å; Q7-N11 PolarHBondContact O-N 3.09Å; Q7-F131 HydrophobicContact CB-CE2 4.42Å; Q7-F131 HydrophobicContact CG-CD2 4.33Å; Q7-F131 HydrophobicContact CG-CE2 3.69Å
8Q97.8Very high96.9Very high90 Ų9059.7 Ų59.742%0.42130%0.303SS..Hα-helixtrans-71.4-41.6180-67.5170.7-27.900112.1V4 E5 N11 E12 Y215V4-Q8 HydrophobicContact CG1-CG 4.43Å; V4-Q8 VanDerWaalsContact O-CG 3.3Å; V4-Q8 WeakPolarHBondContact O-CG 3.48Å; V4-Q8 PolarHBondContact O-N 3.03Å; E5-Q8 PolarHBondContact O-N 2.86Å; E5-Q8 VanDerWaalsContact O-N 3.08Å; Q8-N11 PolarHBondContact O-N 2.79Å; Q8-E12 PolarHBondContact O-N 3.49Å; Q8-Y215 HydrophobicContact CB-CE1 4Å; Q8-Y215 VanDerWaalsContact CB-OH 3.25Å; Q8-Y215 WeakPolarHBondContact CB-OH 3.46Å
9V97.3Very high97Very high0 Ų059.5 Ų59.50%030%0.301CS..Hα-helixtrans-59.5-49.5174.5169.80000110.5M1 E5 N11 E12 L13 T186 L211 Y215M1-V9 HydrophobicContact CE-CG2 4Å; E5-V9 WeakPolarHBondContact O-CG2 3.4Å; E5-V9 PolarHBondContact O-N 2.93Å; V9-N11 PolarHBondContact O-N 2.97Å; V9-E12 PolarHBondContact O-N 3.36Å; V9-L13 HydrophobicContact CG1-CD1 4.2Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 2.6Å; V9-T186 HydrophobicContact CG1-CG2 3.68Å; V9-L211 HydrophobicContact CG1-CD2 3.88Å; V9-L211 HydrophobicContact CG1-CG 4.45Å; V9-Y215 HydrophobicContact CG2-CD1 3.84Å; V9-Y215 HydrophobicContact CG2-CD2 3.65Å; V9-Y215 HydrophobicContact CG2-CE1 3.98Å; V9-Y215 HydrophobicContact CG2-CE2 3.83Å; V9-Y215 HydrophobicContact CG2-CG 3.67Å
10D96.5Very high97Very high24 Ų2458.9 Ų58.913%0.12830%0.302CS..Hα-helixtrans-60.1-45.2175.8-90.722.7000111.6A6 E12 L13 F14 F131A6-D10 WeakPolarHBondContact O-CB 3.4Å; A6-D10 PolarHBondContact O-N 3.15Å; A6-D10 VanDerWaalsContact O-N 3.07Å; D10-E12 VanDerWaalsContact C-N 3.35Å; D10-E12 PolarHBondContact O-N 3.31Å; D10-L13 WeakPolarHBondContact O-CB 3.47Å; D10-L13 PolarHBondContact O-N 3.06Å; D10-F14 HydrophobicContact CB-CE2 3.96Å; D10-F14 HydrophobicContact CB-CZ 4.47Å; D10-F14 WeakPolarHBondContact O-CD2 3.37Å; D10-F14 VanDerWaalsContact O-CG 3.25Å; D10-F14 WeakPolarHBondContact O-CG 3.21Å; D10-F14 PolarHBondContact O-N 3.31Å; D10-F131 HydrophobicContact CB-CZ 4.3Å; D10-F131 WeakPolarHBondContact OD2-CE1 3.39Å; D10-F131 WeakPolarHBondContact OD2-CZ 3.48Å
11N97.6Very high97Very high91 Ų9158.3 Ų58.349%0.48730%0.301SS..Hα-helixtrans-59.8-44.2178.5-176.480.7000111.9Q7 Q8 V9 F14 T15Q7-N11 VanDerWaalsContact O-CB 3.29Å; Q7-N11 WeakPolarHBondContact O-CB 3.49Å; Q7-N11 PolarHBondContact O-N 3.09Å; Q8-N11 PolarHBondContact O-N 2.79Å; V9-N11 PolarHBondContact O-N 2.97Å; N11-F14 PolarHBondContact O-N 3.04Å; N11-T15 WeakPolarHBondContact O-CG2 3.42Å; N11-T15 PolarHBondContact O-N 3.17Å; N11-T15 PolarHBondContact O-OG1 3.03Å; N11-T15 VanDerWaalsContact O-OG1 3.05Å
12E98.2Very high97.1Very high22 Ų2261.2 Ų61.210%0.10332%0.317CS..Hα-helixtrans-66-39.3176.3-76-175.3-142.300112.6Q8 V9 D10 F14 T15 E16 Y17 L211 K214 Y215Q8-E12 PolarHBondContact O-N 3.49Å; V9-E12 PolarHBondContact O-N 3.36Å; D10-E12 VanDerWaalsContact C-N 3.35Å; D10-E12 PolarHBondContact O-N 3.31Å; E12-F14 PolarHBondContact O-N 3Å; E12-T15 PolarHBondContact O-N 2.68Å; E12-E16 HydrophobicContact CB-CG 4.4Å; E12-E16 HydrophobicContact CG-CG 4.23Å; E12-E16 WeakPolarHBondContact O-CA 3.46Å; E12-E16 WeakPolarHBondContact O-CB 3.4Å; E12-E16 PolarHBondContact O-N 3.16Å; E12-Y17 WeakPolarHBondContact O-CD2 3.45Å; E12-Y17 PolarHBondContact O-N 3.16Å; E12-L211 HydrophobicContact CB-CD1 4.09Å; E12-L211 WeakPolarHBondContact OE2-CD1 3.36Å; E12-K214 WeakPolarHBondContact OE1-CE 3.37Å; E12-K214 IonicContact OE1-NZ 3.21Å; E12-K214 PolarHBondContact OE1-NZ 2.85Å; E12-K214 WeakPolarHBondContact OE2-CE 3.29Å; E12-K214 IonicContact OE2-NZ 2.63Å; E12-K214 PolarHBondContact OE2-NZ 3.12Å; E12-Y215 WeakPolarHBondContact OE1-CE2 3.12Å; E12-Y215 PolarHBondContact OE1-OH 3.2Å
13L98Very high97.3Very high0 Ų059.7 Ų59.70%032%0.315CS..Hα-helixtrans-56.5-40.6173-72.4169.6000110.8V9 D10 Y17 A18 F19 L24 F206 P208 L211V9-L13 HydrophobicContact CG1-CD1 4.2Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 2.6Å; D10-L13 WeakPolarHBondContact O-CB 3.47Å; D10-L13 PolarHBondContact O-N 3.06Å; L13-Y17 CarbonylContact O-C 3.56Å; L13-A18 PolarHBondContact O-N 3.1Å; L13-F19 HydrophobicContact CB-CD2 4.46Å; L13-F19 HydrophobicContact CD2-CD2 4.03Å; L13-F19 HydrophobicContact CD2-CE2 4.18Å; L13-F19 WeakPolarHBondContact O-CB 3.17Å; L13-F19 PolarHBondContact O-N 3.2Å; L13-L24 HydrophobicContact CB-CD1 3.82Å; L13-L24 HydrophobicContact CD1-CD1 3.98Å; L13-L24 HydrophobicContact CG-CD1 4.49Å; L13-F206 HydrophobicContact CD1-CD2 4.03Å; L13-F206 HydrophobicContact CD1-CE2 3.92Å; L13-P208 HydrophobicContact CD2-CG 4.48Å; L13-L211 HydrophobicContact CD1-CD2 4.42Å; L13-L211 HydrophobicContact CD2-CD2 3.67Å; L13-L211 HydrophobicContact CG-CD2 3.73Å
14F96.9Very high97.4Very high61 Ų6158.5 Ų58.527%0.26831%0.309SS..Hα-helixtrans-73.1-41.5177.4-58.2-41.6000114D10 N11 E12 F19 V21 L24D10-F14 HydrophobicContact CB-CE2 3.96Å; D10-F14 HydrophobicContact CB-CZ 4.47Å; D10-F14 WeakPolarHBondContact O-CD2 3.37Å; D10-F14 VanDerWaalsContact O-CG 3.25Å; D10-F14 WeakPolarHBondContact O-CG 3.21Å; D10-F14 PolarHBondContact O-N 3.31Å; N11-F14 PolarHBondContact O-N 3.04Å; E12-F14 PolarHBondContact O-N 3Å; F14-F19 WeakPolarHBondContact CA-O 3.27Å; F14-F19 WeakPolarHBondContact CD1-O 3.23Å; F14-V21 HydrophobicContact CD1-CG2 4.26Å; F14-V21 HydrophobicContact CE1-CB 4.36Å; F14-V21 HydrophobicContact CE1-CG2 3.85Å; F14-V21 HydrophobicContact CZ-CG2 4.06Å; F14-L24 HydrophobicContact CD1-CD1 4Å; F14-L24 HydrophobicContact CE1-CD1 3.41Å; F14-L24 VanDerWaalsContact CE1-CD1 3.41Å; F14-L24 HydrophobicContact CE1-CG 4.18Å; F14-L24 HydrophobicContact CZ-CD1 4.07Å
15T97.4Very high97.5Very high77 Ų7754.8 Ų54.847%0.47229%0.286SS..Hα-helixtrans-95.4-50.8-171.1630000113.6N11 E12N11-T15 WeakPolarHBondContact O-CG2 3.42Å; N11-T15 PolarHBondContact O-N 3.17Å; N11-T15 PolarHBondContact O-OG1 3.03Å; N11-T15 VanDerWaalsContact O-OG1 3.05Å; E12-T15 PolarHBondContact O-N 2.68Å
16E97.6Very high97.6Very high143 Ų14355.2 Ų55.267%0.66829%0.289SS*.THydrogen-bonded Turntrans-86.8-37.1-173.5-57.7-55.6138.800111.9E12E12-E16 HydrophobicContact CB-CG 4.4Å; E12-E16 HydrophobicContact CG-CG 4.23Å; E12-E16 WeakPolarHBondContact O-CA 3.46Å; E12-E16 WeakPolarHBondContact O-CB 3.4Å; E12-E16 PolarHBondContact O-N 3.16Å
17Y97.9Very high97.7Very high78 Ų7858.2 Ų58.231%0.30630%0.304SS..SBendtrans-96.9-0.4179-62.4-93.1000112.9E12 L13 F19 P208 L211E12-Y17 WeakPolarHBondContact O-CD2 3.45Å; E12-Y17 PolarHBondContact O-N 3.16Å; L13-Y17 CarbonylContact O-C 3.56Å; Y17-F19 PolarHBondContact O-N 3.25Å; Y17-F19 VanDerWaalsContact O-N 3.09Å; Y17-P208 HydrophobicContact CD1-CB 4.25Å; Y17-P208 HydrophobicContact CD1-CG 3.64Å; Y17-P208 HydrophobicContact CE1-CB 3.76Å; Y17-P208 HydrophobicContact CE1-CG 3.62Å; Y17-P208 HydrophobicContact CG-CG 4.31Å; Y17-L211 HydrophobicContact CE2-CB 4.3Å; Y17-L211 HydrophobicContact CE2-CD1 3.97Å; Y17-L211 HydrophobicContact CE2-CD2 4.28Å; Y17-L211 HydrophobicContact CE2-CG 4.44Å; Y17-L211 PolarHBondContact OH-N 2.91Å
18A97.7Very high97.8Very high81 Ų8154.8 Ų54.867%0.66929%0.288SS*.  trans53.928.2173.200000115L13L13-A18 PolarHBondContact O-N 3.1Å
19F98.1Very high97.8Very high57 Ų5750.5 Ų50.525%0.2527%0.268CS..  trans-71136.5167.8-74.7-80.9000109.7L13 F14 Y17 Q23 L24L13-F19 HydrophobicContact CB-CD2 4.46Å; L13-F19 HydrophobicContact CD2-CD2 4.03Å; L13-F19 HydrophobicContact CD2-CE2 4.18Å; L13-F19 WeakPolarHBondContact O-CB 3.17Å; L13-F19 PolarHBondContact O-N 3.2Å; F14-F19 WeakPolarHBondContact CA-O 3.27Å; F14-F19 WeakPolarHBondContact CD1-O 3.23Å; Y17-F19 PolarHBondContact O-N 3.25Å; Y17-F19 VanDerWaalsContact O-N 3.09Å; F19-Q23 HydrophobicContact CD1-CB 4.37Å; F19-L24 HydrophobicContact CB-CD1 4.2Å; F19-L24 HydrophobicContact CB-CD2 3.74Å; F19-L24 HydrophobicContact CB-CG 3.82Å; F19-L24 HydrophobicContact CD1-CD2 3.72Å; F19-L24 HydrophobicContact CD2-CD2 4.2Å; F19-L24 HydrophobicContact CE1-CD2 4.36Å; F19-L24 HydrophobicContact CG-CD2 3.63Å; F19-L24 HydrophobicContact CG-CG 4.29Å
20S97.7Very high97.9Very high46 Ų4652.5 Ų52.532%0.32228%0.279SS..  trans-77.4156.816661.20000111D22 Q23 L24S20-D22 PolarHBondContact O-N 2.94Å; S20-Q23 PolarHBondContact O-N 3.12Å; S20-Q23 WeakPolarHBondContact OG-CB 3.5Å; S20-Q23 VanDerWaalsContact OG-CD 3.3Å; S20-Q23 WeakPolarHBondContact OG-CG 3.45Å; S20-Q23 PolarHBondContact OG-N 3Å; S20-Q23 PolarHBondContact OG-OE1 3.42Å; S20-L24 PolarHBondContact O-N 2.85Å
21V97Very high98Very high48 Ų4851.5 Ų51.529%0.29127%0.273SS..Hα-helixtrans-56.7-43.4172.3-177.30000110.4F14 Q23 L24 M25 L91F14-V21 HydrophobicContact CD1-CG2 4.26Å; F14-V21 HydrophobicContact CE1-CB 4.36Å; F14-V21 HydrophobicContact CE1-CG2 3.85Å; F14-V21 HydrophobicContact CZ-CG2 4.06Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 2.82Å; V21-L24 PolarHBondContact O-N 3.28Å; V21-M25 HydrophobicContact CG1-CE 3.9Å; V21-M25 WeakPolarHBondContact O-CB 3.4Å; V21-M25 PolarHBondContact O-N 2.83Å; V21-L91 HydrophobicContact CB-CD2 4.15Å; V21-L91 HydrophobicContact CG1-CD2 3.56Å
22D97.4Very high98.1Very high86 Ų8647.1 Ų47.146%0.4625%0.25SS..Hα-helixtrans-56.6-43.1177.2-61.3-122.3000112.6S20 E26 L91S20-D22 PolarHBondContact O-N 2.94Å; D22-E26 WeakPolarHBondContact O-CB 3.28Å; D22-E26 PolarHBondContact O-N 2.89Å; D22-L91 HydrophobicContact CB-CD1 4.34Å; D22-L91 WeakPolarHBondContact OD1-CD1 3.47Å
23Q98.2Very high98.1Very high100 Ų10046.1 Ų46.147%0.46725%0.245SC..Hα-helixtrans-66.4-49179.5-77.9165.4-46.700112.2F19 S20 V21 M25 E26 L27F19-Q23 HydrophobicContact CD1-CB 4.37Å; S20-Q23 PolarHBondContact O-N 3.12Å; S20-Q23 WeakPolarHBondContact OG-CB 3.5Å; S20-Q23 VanDerWaalsContact OG-CD 3.3Å; S20-Q23 WeakPolarHBondContact OG-CG 3.45Å; S20-Q23 PolarHBondContact OG-N 3Å; S20-Q23 PolarHBondContact OG-OE1 3.42Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 2.82Å; Q23-M25 VanDerWaalsContact C-N 3.31Å; Q23-M25 PolarHBondContact O-N 3.48Å; Q23-E26 PolarHBondContact O-N 3.43Å; Q23-L27 VanDerWaalsContact O-CG 3.27Å; Q23-L27 WeakPolarHBondContact O-CG 3.2Å; Q23-L27 PolarHBondContact O-N 2.89Å; Q23-L27 VanDerWaalsContact O-N 3.11Å
24L98.1Very high98.1Very high11 Ų1147.2 Ų47.26%0.05825%0.252CS..Hα-helixtrans-64.4-39.8179.1-62.2-170.8000111.2L13 F14 F19 S20 V21 L27 A28 F206L13-L24 HydrophobicContact CB-CD1 3.82Å; L13-L24 HydrophobicContact CD1-CD1 3.98Å; L13-L24 HydrophobicContact CG-CD1 4.49Å; F14-L24 HydrophobicContact CD1-CD1 4Å; F14-L24 HydrophobicContact CE1-CD1 3.41Å; F14-L24 VanDerWaalsContact CE1-CD1 3.41Å; F14-L24 HydrophobicContact CE1-CG 4.18Å; F14-L24 HydrophobicContact CZ-CD1 4.07Å; F19-L24 HydrophobicContact CB-CD1 4.2Å; F19-L24 HydrophobicContact CB-CD2 3.74Å; F19-L24 HydrophobicContact CB-CG 3.82Å; F19-L24 HydrophobicContact CD1-CD2 3.72Å; F19-L24 HydrophobicContact CD2-CD2 4.2Å; F19-L24 HydrophobicContact CE1-CD2 4.36Å; F19-L24 HydrophobicContact CG-CD2 3.63Å; F19-L24 HydrophobicContact CG-CG 4.29Å; S20-L24 PolarHBondContact O-N 2.85Å; V21-L24 PolarHBondContact O-N 3.28Å; L24-L27 PolarHBondContact O-N 3.03Å; L24-A28 VanDerWaalsContact O-CB 3.28Å; L24-A28 WeakPolarHBondContact O-CB 3.22Å; L24-A28 PolarHBondContact O-N 2.79Å; L24-F206 HydrophobicContact CD2-CB 4.28Å; L24-F206 HydrophobicContact CD2-CD1 4.24Å; L24-F206 HydrophobicContact CD2-CD2 3.85Å; L24-F206 HydrophobicContact CD2-CE2 4.23Å; L24-F206 HydrophobicContact CD2-CG 3.87Å
25M98.2Very high98.2Very high6 Ų644.3 Ų44.33%0.0324%0.24CC..Hα-helixtrans-64.3-41.9178-172.6171.3-69.700112.4V21 Q23 A28 G29 N60 D64 V67 L91 Y92 L95V21-M25 HydrophobicContact CG1-CE 3.9Å; V21-M25 WeakPolarHBondContact O-CB 3.4Å; V21-M25 PolarHBondContact O-N 2.83Å; Q23-M25 VanDerWaalsContact C-N 3.31Å; Q23-M25 PolarHBondContact O-N 3.48Å; M25-A28 PolarHBondContact O-N 2.83Å; M25-G29 PolarHBondContact O-N 3.25Å; M25-N60 HydrophobicContact CE-CB 4.02Å; M25-D64 WeakPolarHBondContact CA-OD1 3.4Å; M25-D64 WeakPolarHBondContact CG-OD1 3.4Å; M25-V67 HydrophobicContact CG-CG2 4.09Å; M25-L91 HydrophobicContact CE-CD2 3.95Å; M25-L91 HydrophobicContact SD-CD1 4.35Å; M25-L91 HydrophobicContact SD-CD2 4.14Å; M25-L91 HydrophobicContact SD-CG 4.34Å; M25-Y92 HydrophobicContact CE-CE1 4.06Å; M25-L95 HydrophobicContact SD-CD1 3.48Å; M25-L95 WeakPolarHBondContact SD-CD1 3.39Å
26E98.6Very high98.3Very high61 Ų6140.7 Ų40.729%0.28522%0.217SC..Hα-helixtrans-61.9-45.7175.4-171.763.9-162.100111.1D22 Q23 L30 R70 H71D22-E26 WeakPolarHBondContact O-CB 3.28Å; D22-E26 PolarHBondContact O-N 2.89Å; Q23-E26 PolarHBondContact O-N 3.43Å; E26-L30 WeakPolarHBondContact O-CB 3.28Å; E26-L30 PolarHBondContact O-N 2.99Å; E26-R70 VanDerWaalsContact CD-NH2 3.34Å; E26-R70 IonicContact OE1-CZ 3.36Å; E26-R70 IonicContact OE1-NH1 2.66Å; E26-R70 PolarHBondContact OE1-NH1 3.22Å; E26-R70 IonicContact OE1-NH2 3.68Å; E26-R70 PolarHBondContact OE1-NH2 3.35Å; E26-R70 IonicContact OE2-CZ 2.69Å; E26-R70 IonicContact OE2-NH1 3.52Å; E26-R70 IonicContact OE2-NH2 3.81Å; E26-R70 PolarHBondContact OE2-NH2 2.91Å; E26-H71 IonicContact OE1-CD2 2.57Å; E26-H71 IonicContact OE1-CE1 3.24Å; E26-H71 PolarHBondContact OE1-CE1 3.48Å; E26-H71 IonicContact OE1-NE2 2.87Å; E26-H71 PolarHBondContact OE1-NE2 3.4Å
27L98.4Very high98.3Very high65 Ų6536.7 Ų36.734%0.3420%0.2SC..Hα-helixtrans-65.4-41.8179-67.5171.3000111.8Q23 L24 S31 F206Q23-L27 VanDerWaalsContact O-CG 3.27Å; Q23-L27 WeakPolarHBondContact O-CG 3.2Å; Q23-L27 PolarHBondContact O-N 2.89Å; Q23-L27 VanDerWaalsContact O-N 3.11Å; L24-L27 PolarHBondContact O-N 3.03Å; L27-S31 WeakPolarHBondContact O-CB 3.34Å; L27-S31 PolarHBondContact O-N 2.94Å; L27-S31 PolarHBondContact O-OG 3.35Å; L27-F206 HydrophobicContact CB-CD1 3.81Å; L27-F206 HydrophobicContact CB-CE1 4.27Å; L27-F206 HydrophobicContact CD1-CB 3.97Å; L27-F206 HydrophobicContact CD1-CD1 4Å; L27-F206 HydrophobicContact CD1-CG 4.4Å
28A98.6Very high98.3Very high4 Ų437.5 Ų37.53%0.03321%0.205CC..Hα-helixtrans-63.6-55.1176.900000111.4L24 M25 L30 S31 C32 L185L24-A28 VanDerWaalsContact O-CB 3.28Å; L24-A28 WeakPolarHBondContact O-CB 3.22Å; L24-A28 PolarHBondContact O-N 2.79Å; M25-A28 PolarHBondContact O-N 2.83Å; A28-L30 VanDerWaalsContact C-N 3.34Å; A28-L30 PolarHBondContact O-N 2.93Å; A28-S31 WeakPolarHBondContact O-CB 3.46Å; A28-S31 PolarHBondContact O-N 3.28Å; A28-S31 VanDerWaalsContact O-N 3.1Å; A28-C32 PolarHBondContact O-N 2.76Å; A28-C32 PolarHBondContact O-SG 2.97Å; A28-C32 VanDerWaalsContact O-SG 3.32Å; A28-L185 HydrophobicContact CB-CD1 3.84Å; A28-L185 HydrophobicContact CB-CD2 3.97Å; A28-L185 HydrophobicContact CB-CG 4.49Å
29G98.8Very high98.3Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-63.6-36.4-178.800000113.3M25 C32 A33 C68M25-G29 PolarHBondContact O-N 3.25Å; G29-C32 WeakPolarHBondContact O-CB 3.1Å; G29-C32 PolarHBondContact O-N 3.24Å; G29-A33 PolarHBondContact O-N 3.21Å; G29-C68 WeakPolarHBondContact O-CA 3.4Å
30L98.8Very high98.3Very high42 Ų4231.9 Ų31.922%0.2217%0.167CC..Hα-helixtrans-63.3-45.4171.1175.158.9000111.4E26 A28 C32 A33 V34 H71 F75 L227E26-L30 WeakPolarHBondContact O-CB 3.28Å; E26-L30 PolarHBondContact O-N 2.99Å; A28-L30 VanDerWaalsContact C-N 3.34Å; A28-L30 PolarHBondContact O-N 2.93Å; L30-C32 VanDerWaalsContact C-N 3.26Å; L30-C32 PolarHBondContact O-N 2.98Å; L30-A33 PolarHBondContact O-N 2.9Å; L30-V34 HydrophobicContact CD1-CG2 4.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.23Å; L30-V34 PolarHBondContact O-N 3.45Å; L30-H71 HydrophobicContact CD1-CB 4.29Å; L30-F75 HydrophobicContact CD1-CZ 3.95Å; L30-L227 HydrophobicContact CD1-CD1 4.32Å; L30-L227 HydrophobicContact CD2-CD1 3.55Å; L30-L227 HydrophobicContact CG-CD1 3.61Å
31S98.7Very high98.3Very high2 Ų231.7 Ų31.71%0.01417%0.165CC..Hα-helixtrans-58.8-40.5176.5-58.40000111.2L27 A28 V34 A35 G204 L227L27-S31 WeakPolarHBondContact O-CB 3.34Å; L27-S31 PolarHBondContact O-N 2.94Å; L27-S31 PolarHBondContact O-OG 3.35Å; A28-S31 WeakPolarHBondContact O-CB 3.46Å; A28-S31 PolarHBondContact O-N 3.28Å; A28-S31 VanDerWaalsContact O-N 3.1Å; S31-V34 PolarHBondContact O-N 2.71Å; S31-A35 WeakPolarHBondContact O-CB 3.49Å; S31-A35 PolarHBondContact O-N 3.45Å; S31-G204 PolarHBondContact OG-N 2.84Å; S31-G204 VanDerWaalsContact OG-N 3.16Å; S31-L227 WeakPolarHBondContact CB-O 3.49Å; S31-L227 PolarHBondContact OG-O 2.99Å; S31-L227 VanDerWaalsContact OG-O 3.12Å
32C98.9Very high98.2Very high0 Ų031.8 Ų31.80%016%0.163CC..Hα-helixtrans-61.8-48.4175.3-68.70000112.1A28 G29 L30 V34 A35 I36 C68 I158 I183A28-C32 PolarHBondContact O-N 2.76Å; A28-C32 PolarHBondContact O-SG 2.97Å; A28-C32 VanDerWaalsContact O-SG 3.32Å; G29-C32 WeakPolarHBondContact O-CB 3.1Å; G29-C32 PolarHBondContact O-N 3.24Å; L30-C32 VanDerWaalsContact C-N 3.26Å; L30-C32 PolarHBondContact O-N 2.98Å; C32-V34 VanDerWaalsContact C-N 3.28Å; C32-V34 PolarHBondContact O-N 3.48Å; C32-A35 PolarHBondContact O-N 2.86Å; C32-I36 WeakPolarHBondContact O-CB 3.15Å; C32-I36 WeakPolarHBondContact O-CD1 3.43Å; C32-I36 VanDerWaalsContact O-CG1 3.28Å; C32-I36 WeakPolarHBondContact O-CG1 3.37Å; C32-I36 PolarHBondContact O-N 2.73Å; C32-C68 HydrophobicContact CB-CB 4.12Å; C32-I158 HydrophobicContact CB-CD1 4.09Å; C32-I158 HydrophobicContact CB-CG1 4.43Å; C32-I183 HydrophobicContact CB-CD1 4.19Å
33A98.8Very high98Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-60.1-39.5178.200000111.9G29 L30 N37 H71 L72 F75G29-A33 PolarHBondContact O-N 3.21Å; L30-A33 PolarHBondContact O-N 2.9Å; A33-N37 WeakPolarHBondContact O-CB 3.39Å; A33-N37 PolarHBondContact O-N 3.3Å; A33-H71 HydrophobicContact CB-CB 3.5Å; A33-L72 HydrophobicContact CB-CD2 4.08Å; A33-L72 HydrophobicContact CB-CG 3.92Å; A33-F75 HydrophobicContact CB-CD2 4.23Å; A33-F75 HydrophobicContact CB-CE2 3.68Å; A33-F75 HydrophobicContact CB-CZ 4.43Å
34V98.7Very high97.9Very high24 Ų2436.6 Ų36.615%0.14519%0.185CC..Hα-helixtrans-67.6-44.8176.6172.60000111.6L30 S31 C32 I36 N37 K38 F75 L227L30-V34 HydrophobicContact CD1-CG2 4.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.23Å; L30-V34 PolarHBondContact O-N 3.45Å; S31-V34 PolarHBondContact O-N 2.71Å; C32-V34 VanDerWaalsContact C-N 3.28Å; C32-V34 PolarHBondContact O-N 3.48Å; V34-I36 VanDerWaalsContact C-N 3.33Å; V34-I36 PolarHBondContact O-N 2.87Å; V34-N37 PolarHBondContact O-N 2.87Å; V34-K38 HydrophobicContact CG1-CD 4.39Å; V34-K38 WeakPolarHBondContact O-CG 3.38Å; V34-K38 PolarHBondContact O-N 3.47Å; V34-F75 HydrophobicContact CG2-CE2 3.9Å; V34-F75 HydrophobicContact CG2-CZ 3.92Å; V34-L227 HydrophobicContact CG2-CD1 4.17Å
35A98.7Very high97.7Very high0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-59.2-44.317600000111.6S31 C32 N37 K38 A39 I183 F201 C228S31-A35 WeakPolarHBondContact O-CB 3.49Å; S31-A35 PolarHBondContact O-N 3.45Å; C32-A35 PolarHBondContact O-N 2.86Å; A35-N37 PolarHBondContact O-N 3.05Å; A35-K38 PolarHBondContact O-N 3.05Å; A35-A39 PolarHBondContact O-N 2.84Å; A35-I183 HydrophobicContact CB-CD1 3.84Å; A35-I183 HydrophobicContact CB-CG1 4.08Å; A35-I183 HydrophobicContact CB-CG2 4.43Å; A35-F201 HydrophobicContact CB-CB 4.01Å; A35-F201 HydrophobicContact CB-CD1 4.1Å; A35-F201 HydrophobicContact CB-CD2 3.97Å; A35-F201 HydrophobicContact CB-CE2 4.46Å; A35-F201 HydrophobicContact CB-CG 3.76Å; A35-C228 HydrophobicContact CB-CB 4.04Å
36I98.6Very high97.3Very high0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-60.9-45.5175.6-70.2162.3000110.5C32 V34 K38 A39 Y40 L72 L123 I125 I156 I183C32-I36 WeakPolarHBondContact O-CB 3.15Å; C32-I36 WeakPolarHBondContact O-CD1 3.43Å; C32-I36 VanDerWaalsContact O-CG1 3.28Å; C32-I36 WeakPolarHBondContact O-CG1 3.37Å; C32-I36 PolarHBondContact O-N 2.73Å; V34-I36 VanDerWaalsContact C-N 3.33Å; V34-I36 PolarHBondContact O-N 2.87Å; I36-K38 VanDerWaalsContact C-N 3.28Å; I36-K38 PolarHBondContact O-N 2.73Å; I36-A39 PolarHBondContact O-N 3.31Å; I36-Y40 HydrophobicContact CG2-CD2 4.32Å; I36-Y40 WeakPolarHBondContact O-CA 3.28Å; I36-Y40 PolarHBondContact O-N 2.98Å; I36-L72 HydrophobicContact CB-CD2 4.19Å; I36-L72 HydrophobicContact CD1-CD1 4.13Å; I36-L72 HydrophobicContact CG2-CD1 4.46Å; I36-L72 HydrophobicContact CG2-CD2 3.87Å; I36-L123 HydrophobicContact CG2-CD1 4.12Å; I36-I125 HydrophobicContact CD1-CD1 3.46Å; I36-I125 VanDerWaalsContact CD1-CD1 3.46Å; I36-I125 HydrophobicContact CD1-CG1 4.05Å; I36-I156 HydrophobicContact CD1-CG2 4.21Å; I36-I156 HydrophobicContact CG1-CG1 4.47Å; I36-I156 HydrophobicContact CG1-CG2 3.97Å; I36-I183 HydrophobicContact CD1-CD1 4.25Å; I36-I183 HydrophobicContact CG1-CD1 3.86Å
37N98.1Very high96.7Very high59 Ų5942.5 Ų42.532%0.31622%0.221SC..Hα-helixtrans-64.3-32.7179-175.867.7000113.3A33 V34 A35 P41 F75 Y77A33-N37 WeakPolarHBondContact O-CB 3.39Å; A33-N37 PolarHBondContact O-N 3.3Å; V34-N37 PolarHBondContact O-N 2.87Å; A35-N37 PolarHBondContact O-N 3.05Å; N37-P41 WeakPolarHBondContact O-CA 2.91Å; N37-F75 HydrophobicContact CB-CD2 4.26Å; N37-Y77 WeakPolarHBondContact CA-OH 3.34Å; N37-Y77 HydrophobicContact CB-CE2 4.23Å; N37-Y77 WeakPolarHBondContact OD1-CE2 3.43Å; N37-Y77 PolarHBondContact OD1-OH 2.89Å
38K98.1Very high95.6Very high95 Ų9543.1 Ų43.141%0.41323%0.23SC..Hα-helixtrans-70.4-41.5174.2-71.8178.6-173.3-76.40112.2V34 A35 I36 F201 E226V34-K38 HydrophobicContact CG1-CD 4.39Å; V34-K38 WeakPolarHBondContact O-CG 3.38Å; V34-K38 PolarHBondContact O-N 3.47Å; A35-K38 PolarHBondContact O-N 3.05Å; I36-K38 VanDerWaalsContact C-N 3.28Å; I36-K38 PolarHBondContact O-N 2.73Å; K38-F201 HydrophobicContact CB-CZ 4.24Å; K38-F201 HydrophobicContact CD-CE1 4.45Å; K38-E226 WeakPolarHBondContact CE-OE2 3.43Å; K38-E226 IonicContact NZ-OE1 3.77Å; K38-E226 PolarHBondContact NZ-OE1 2.94Å; K38-E226 IonicContact NZ-OE2 3.28Å; K38-E226 PolarHBondContact NZ-OE2 3.28Å
39A98Very high94.4Very high8 Ų848 Ų487%0.06626%0.255CS..Hα-helixtrans-76.8-36.3-179.500000113.5A35 I36 Y199 F201A35-A39 PolarHBondContact O-N 2.84Å; I36-A39 PolarHBondContact O-N 3.31Å; A39-Y199 HydrophobicContact CB-CD1 4.13Å; A39-Y199 HydrophobicContact CB-CD2 3.78Å; A39-Y199 HydrophobicContact CB-CE1 4.41Å; A39-Y199 HydrophobicContact CB-CE2 4.08Å; A39-Y199 HydrophobicContact CB-CG 3.81Å; A39-F201 HydrophobicContact CB-CE2 4.02Å
40Y97.6Very high93.6Very high12 Ų1248 Ų485%0.04726%0.255CS..SBendtrans-132.560.5-170.4-53.2-83.6000111.7I36 Y77 L123 P154 I156 D180 C181 Y199I36-Y40 HydrophobicContact CG2-CD2 4.32Å; I36-Y40 WeakPolarHBondContact O-CA 3.28Å; I36-Y40 PolarHBondContact O-N 2.98Å; Y40-Y77 PolarHBondContact O-OH 2.78Å; Y40-L123 HydrophobicContact CD1-CD1 4.47Å; Y40-L123 HydrophobicContact CD1-CD2 3.46Å; Y40-L123 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L123 HydrophobicContact CD2-CD1 4.2Å; Y40-L123 HydrophobicContact CD2-CD2 4.3Å; Y40-L123 HydrophobicContact CE1-CD2 3.78Å; Y40-L123 HydrophobicContact CG-CD1 3.9Å; Y40-L123 HydrophobicContact CG-CD2 3.73Å; Y40-P154 HydrophobicContact CE1-CB 4Å; Y40-I156 HydrophobicContact CD2-CD1 4.43Å; Y40-I156 HydrophobicContact CD2-CG1 4.3Å; Y40-I156 HydrophobicContact CE2-CD1 3.93Å; Y40-I156 HydrophobicContact CE2-CG1 3.53Å; Y40-D180 PolarHBondContact OH-OD2 3.46Å; Y40-C181 HydrophobicContact CE2-CB 3.87Å; Y40-C181 WeakPolarHBondContact OH-CB 3.25Å; Y40-Y199 HydrophobicContact CE1-CE2 4.24Å; Y40-Y199 HydrophobicContact CE2-CD2 4.37Å
41P97Very high93.5Very high42 Ų4246.6 Ų46.627%0.27325%0.249SC..  trans-59.9143.9-17626.5-35.5000111.5N37 N43 K44N37-P41 WeakPolarHBondContact O-CA 2.91Å; P41-N43 PolarHBondContact O-N 2.71Å; P41-K44 HydrophobicContact CG-CB 4.33Å; P41-K44 HydrophobicContact CG-CG 3.8Å; P41-K44 WeakPolarHBondContact O-CB 3.44Å; P41-K44 PolarHBondContact O-N 2.8Å
42L95.7Very high93.4Very high50 Ų5046.5 Ų46.526%0.26225%0.249SC..G310 helixtrans-49.1-38.2-173.8-78.3171.7000114.5K44 L45 F75 Y77L42-K44 PolarHBondContact O-N 3.42Å; L42-L45 PolarHBondContact O-N 3.38Å; L42-L45 VanDerWaalsContact O-N 3.09Å; L42-F75 VanDerWaalsContact CD1-O 3.28Å; L42-F75 WeakPolarHBondContact CD1-O 3.39Å; L42-Y77 HydrophobicContact CD1-CD2 4.45Å; L42-Y77 HydrophobicContact CD1-CE2 4.31Å; L42-Y77 HydrophobicContact CD2-CD1 3.62Å; L42-Y77 HydrophobicContact CD2-CD2 3.96Å; L42-Y77 HydrophobicContact CD2-CE1 3.72Å; L42-Y77 HydrophobicContact CD2-CE2 4.04Å; L42-Y77 HydrophobicContact CD2-CG 3.72Å; L42-Y77 HydrophobicContact CG-CD1 4.4Å; L42-Y77 HydrophobicContact CG-CD2 4.17Å; L42-Y77 HydrophobicContact CG-CE1 4.1Å; L42-Y77 HydrophobicContact CG-CE2 3.83Å; L42-Y77 HydrophobicContact CG-CG 4.41Å; L42-Y77 PolarHBondContact N-OH 2.89Å
43N94.4Very high93.3Very high133 Ų13346.5 Ų46.571%0.71125%0.249SC*.G310 helixtrans-70.1-7.1-179.968.9-23.7000114.4P41P41-N43 PolarHBondContact O-N 2.71Å
44K94.3Very high93.3Very high154 Ų15446.5 Ų46.567%0.6725%0.249SC*.G310 helixtrans-103.2-7.3173.3-60.7-61.6-176.8-177.80112.7P41 L42P41-K44 HydrophobicContact CG-CB 4.33Å; P41-K44 HydrophobicContact CG-CG 3.8Å; P41-K44 WeakPolarHBondContact O-CB 3.44Å; P41-K44 PolarHBondContact O-N 2.8Å; L42-K44 PolarHBondContact O-N 3.42Å
45L94.9Very high93.3Very high26 Ų2645.3 Ų45.314%0.13624%0.242CC..  trans-90.4140.8177.4-59-167.1000110L42 Y77 D122 L123L42-L45 PolarHBondContact O-N 3.38Å; L42-L45 VanDerWaalsContact O-N 3.09Å; L45-Y77 HydrophobicContact CD1-CD1 3.96Å; L45-Y77 HydrophobicContact CD1-CE1 3.63Å; L45-D122 HydrophobicContact CB-CB 4.26Å; L45-D122 HydrophobicContact CD1-CB 4.18Å; L45-D122 HydrophobicContact CD2-CB 4Å; L45-D122 HydrophobicContact CG-CB 4.37Å; L45-L123 HydrophobicContact CD1-CD1 4.03Å; L45-L123 HydrophobicContact CD1-CG 4.41Å; L45-L123 HydrophobicContact CD2-CD2 4.39Å; L45-L123 HydrophobicContact CD2-CG 4.42Å
46T88.9Confident93.2Very high122 Ų12245.3 Ų45.375%0.74824%0.242SC*.  trans-116.2-21.4-167.158.90000113.2D122T46-D122 PolarHBondContact N-OD1 3.21Å
47K86.1Confident93.1Very high55 Ų5545.3 Ų45.324%0.23924%0.242CC..SBendtrans-95.2123.9-176.2-61.6165.5-172173.60110.4N49 G50 S51 S118 Y121 D122K47-N49 PolarHBondContact O-N 3.03Å; K47-G50 PolarHBondContact O-N 3.49Å; K47-S51 PolarHBondContact O-N 2.87Å; K47-S118 VanDerWaalsContact CE-O 3.23Å; K47-S118 WeakPolarHBondContact CE-O 3.43Å; K47-S118 PolarHBondContact NZ-O 3.46Å; K47-Y121 WeakPolarHBondContact CD-O 3.45Å; K47-Y121 PolarHBondContact NZ-O 2.69Å; K47-D122 WeakPolarHBondContact CA-OD2 3.47Å; K47-D122 WeakPolarHBondContact CB-OD1 3.2Å; K47-D122 WeakPolarHBondContact CB-OD2 3.16Å; K47-D122 PolarHBondContact N-OD1 3.16Å; K47-D122 PolarHBondContact N-OD2 3.46Å
48S76.8Confident92.9Very high77 Ų7744.8 Ų44.854%0.53824%0.242SC..THydrogen-bonded Turntrans48.627169.4-67.20000115.6S51 K78S48-S51 WeakPolarHBondContact CB-OG 3.47Å; S48-K78 VanDerWaalsContact O-CD 3.28Å; S48-K78 WeakPolarHBondContact O-CD 3.45Å; S48-K78 WeakPolarHBondContact O-CE 3.26Å; S48-K78 PolarHBondContact O-NZ 2.76Å
49N73.1Confident92.8Very high106 Ų10641.7 Ų41.757%0.56724%0.236SC*.THydrogen-bonded Turntrans6749.3-177-16274.6000114.2K47K47-N49 PolarHBondContact O-N 3.03Å
50G82.1Confident92.7Very high0 Ų044.2 Ų44.20%025%0.249CC..THydrogen-bonded Turntrans86.548.4173.600000113.1K47 K78K47-G50 PolarHBondContact O-N 3.49Å; G50-K78 PolarHBondContact O-N 3.34Å
51S95.1Very high92.7Very high13 Ų1344.1 Ų44.19%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-75.1127.2179.2-82.50000111.5K47 S48 K78 S120 D122 L123K47-S51 PolarHBondContact O-N 2.87Å; S48-S51 WeakPolarHBondContact CB-OG 3.47Å; S51-K78 WeakPolarHBondContact CA-O 3.27Å; S51-S120 WeakPolarHBondContact CB-O 3.41Å; S51-D122 PolarHBondContact N-OD2 2.66Å; S51-D122 PolarHBondContact O-N 2.82Å; S51-L123 PolarHBondContact O-N 2.99Å
52V97.7Very high92.8Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-125.9134.3-176.9-178.10000109.8V54 Y77 K78 P79 S80 Y121 L123 I125V52-V54 HydrophobicContact CG1-CG2 4.23Å; V52-Y77 HydrophobicContact CG2-CD1 3.92Å; V52-K78 PolarHBondContact N-O 3.46Å; V52-K78 VanDerWaalsContact N-O 3.11Å; V52-P79 CarbonylContact O-C 3.49Å; V52-P79 VanDerWaalsContact O-CA 3.24Å; V52-P79 WeakPolarHBondContact O-CA 3.47Å; V52-S80 PolarHBondContact O-N 3.38Å; V52-Y121 WeakPolarHBondContact O-CE1 3.35Å; V52-L123 WeakPolarHBondContact CA-O 3.42Å; V52-L123 HydrophobicContact CG1-CB 4.21Å; V52-L123 HydrophobicContact CG2-CB 4.16Å; V52-L123 HydrophobicContact CG2-CD1 4.1Å; V52-L123 HydrophobicContact CG2-CG 4.49Å; V52-I125 HydrophobicContact CG1-CD1 3.49Å; V52-I125 VanDerWaalsContact CG1-CD1 3.49Å; V52-I125 HydrophobicContact CG1-CG1 3.68Å
53L97.2Very high92.9Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-106.7121.8171.4-177.957.3000110F55 H82 L107 L110 L117 Y121 L123 F124 I125L53-F55 HydrophobicContact CB-CE2 4.41Å; L53-F55 HydrophobicContact CD2-CE1 3.88Å; L53-F55 HydrophobicContact CD2-CE2 4Å; L53-F55 HydrophobicContact CD2-CZ 3.42Å; L53-F55 VanDerWaalsContact CD2-CZ 3.42Å; L53-F55 HydrophobicContact CG-CD2 4.49Å; L53-F55 HydrophobicContact CG-CE1 4.25Å; L53-F55 HydrophobicContact CG-CE2 3.93Å; L53-F55 HydrophobicContact CG-CZ 3.82Å; L53-H82 HydrophobicContact CD1-CB 4.26Å; L53-L107 HydrophobicContact CD1-CD1 4.01Å; L53-L110 HydrophobicContact CD2-CD1 4.43Å; L53-L110 HydrophobicContact CD2-CD2 4.21Å; L53-L117 HydrophobicContact CD2-CD2 3.66Å; L53-Y121 HydrophobicContact CB-CD1 3.72Å; L53-Y121 HydrophobicContact CB-CD2 3.98Å; L53-Y121 HydrophobicContact CB-CE1 3.76Å; L53-Y121 HydrophobicContact CB-CE2 4Å; L53-Y121 HydrophobicContact CB-CG 3.84Å; L53-Y121 HydrophobicContact CD2-CD2 4.22Å; L53-Y121 HydrophobicContact CD2-CE2 3.96Å; L53-Y121 HydrophobicContact CG-CE2 4.39Å; L53-L123 PolarHBondContact N-O 2.98Å; L53-F124 HydrophobicContact CB-CD1 3.81Å; L53-F124 HydrophobicContact CB-CE1 3.94Å; L53-F124 HydrophobicContact CD2-CD1 4.47Å; L53-F124 HydrophobicContact CD2-CE1 3.96Å; L53-F124 CarbonylContact O-C 3.49Å; L53-F124 WeakPolarHBondContact O-CA 3.36Å; L53-I125 PolarHBondContact O-N 2.69Å
54V98.6Very high93.1Very high0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-104121.6-179.5-168.90000109.6V52 A69 P79 S80 I81 H82 I125 A127V52-V54 HydrophobicContact CG1-CG2 4.23Å; V54-A69 HydrophobicContact CG2-CB 4.01Å; V54-P79 HydrophobicContact CG2-CB 4.5Å; V54-S80 PolarHBondContact N-O 3.01Å; V54-I81 HydrophobicContact CB-CG1 4.36Å; V54-I81 CarbonylContact O-C 3.51Å; V54-I81 WeakPolarHBondContact O-CA 3.42Å; V54-H82 PolarHBondContact O-N 3.3Å; V54-I125 HydrophobicContact CB-CB 4.37Å; V54-I125 HydrophobicContact CG1-CB 4.08Å; V54-I125 HydrophobicContact CG1-CG2 4.06Å; V54-I125 HydrophobicContact CG2-CB 4.2Å; V54-I125 HydrophobicContact CG2-CD1 3.95Å; V54-I125 HydrophobicContact CG2-CG1 4.46Å; V54-A127 HydrophobicContact CG1-CB 4.47Å
55F97.9Very high93.3Very high0 Ų026.8 Ų26.80%016%0.161CC..EExtended strand (participates in β ladder)trans-98.1103.3178.2-61.4-87.3000109.6L53 H82 L110 F124 I125 A127 L128 I144 I147 M148L53-F55 HydrophobicContact CB-CE2 4.41Å; L53-F55 HydrophobicContact CD2-CE1 3.88Å; L53-F55 HydrophobicContact CD2-CE2 4Å; L53-F55 HydrophobicContact CD2-CZ 3.42Å; L53-F55 VanDerWaalsContact CD2-CZ 3.42Å; L53-F55 HydrophobicContact CG-CD2 4.49Å; L53-F55 HydrophobicContact CG-CE1 4.25Å; L53-F55 HydrophobicContact CG-CE2 3.93Å; L53-F55 HydrophobicContact CG-CZ 3.82Å; F55-H82 HydrophobicContact CD1-CB 3.98Å; F55-H82 AromaticContact CD1-CD2 3.89Å; F55-H82 HydrophobicContact CE1-CB 4.39Å; F55-L110 HydrophobicContact CD1-CD1 4.26Å; F55-L110 HydrophobicContact CE1-CD1 3.47Å; F55-L110 VanDerWaalsContact CE1-CD1 3.47Å; F55-L110 HydrophobicContact CZ-CD1 4.36Å; F55-F124 HydrophobicContact CE2-CB 3.93Å; F55-F124 AromaticContact CE2-CD1 3.91Å; F55-F124 HydrophobicContact CE2-CD1 3.91Å; F55-F124 AromaticContact CE2-CD2 4Å; F55-F124 HydrophobicContact CE2-CD2 4Å; F55-F124 HydrophobicContact CE2-CE1 4.34Å; F55-F124 HydrophobicContact CE2-CE2 4.43Å; F55-F124 AromaticContact CE2-CG 3.7Å; F55-F124 HydrophobicContact CE2-CG 3.7Å; F55-F124 HydrophobicContact CZ-CD1 4.4Å; F55-F124 HydrophobicContact CZ-CD2 4.4Å; F55-F124 HydrophobicContact CZ-CE1 4.38Å; F55-F124 HydrophobicContact CZ-CE2 4.39Å; F55-F124 HydrophobicContact CZ-CG 4.39Å; F55-F124 HydrophobicContact CZ-CZ 4.37Å; F55-I125 PolarHBondContact N-O 3.36Å; F55-A127 CarbonylContact O-C 3.54Å; F55-A127 VanDerWaalsContact O-CA 3.28Å; F55-A127 WeakPolarHBondContact O-CA 3.14Å; F55-A127 WeakPolarHBondContact O-CB 3.42Å; F55-A127 PolarHBondContact O-N 3.09Å; F55-L128 HydrophobicContact CB-CD2 3.92Å; F55-L128 HydrophobicContact CB-CG 4.18Å; F55-L128 PolarHBondContact O-N 3.12Å; F55-I144 HydrophobicContact CB-CG2 4.11Å; F55-I144 HydrophobicContact CD1-CG2 3.25Å; F55-I144 HydrophobicContact CE1-CG2 3.7Å; F55-I144 HydrophobicContact CG-CG2 3.81Å; F55-I147 HydrophobicContact CZ-CG2 4.4Å; F55-M148 HydrophobicContact CB-SD 4.46Å; F55-M148 HydrophobicContact CD2-CG 4.08Å; F55-M148 HydrophobicContact CD2-SD 3.51Å; F55-M148 VanDerWaalsContact CD2-SD 3.51Å; F55-M148 HydrophobicContact CE2-CG 3.8Å; F55-M148 HydrophobicContact CE2-SD 3.87Å; F55-M148 HydrophobicContact CG-SD 4.07Å; F55-M148 HydrophobicContact CZ-CG 4.18Å
56C97.8Very high93.5Very high0 Ų025.5 Ų25.50%016%0.155CC..EExtended strand (participates in β ladder)trans-95.5129.7-175-66.80000112.1I81 H82 Y83C56-I81 HydrophobicContact CB-CG2 4.45Å; C56-H82 PolarHBondContact N-O 2.94Å; C56-Y83 HydrophobicContact CB-CD1 4.23Å; C56-Y83 HydrophobicContact CB-CD2 4.08Å; C56-Y83 HydrophobicContact CB-CG 3.93Å; C56-Y83 VanDerWaalsContact O-CD2 3.3Å; C56-Y83 WeakPolarHBondContact O-CD2 3.18Å
57G96.1Very high94Very high0 Ų019.8 Ų19.80%012%0.12CC..  trans-84.3174.4170.600000113.4G59 G62 Y83 A127 L128G57-G59 VanDerWaalsContact C-N 3.28Å; G57-G59 PolarHBondContact O-N 3Å; G57-G62 WeakPolarHBondContact O-CA 3.24Å; G57-Y83 WeakPolarHBondContact O-CE2 3.28Å; G57-Y83 PolarHBondContact O-OH 3.38Å; G57-A127 PolarHBondContact N-O 3.36Å; G57-L128 WeakPolarHBondContact CA-O 3.37Å
58P94.2Very high94.6Very high48 Ų4817.1 Ų17.131%0.31211%0.108SC..SBendtrans-80.5-3-175.633-35.9000114.8Y92 F141P58-Y92 WeakPolarHBondContact O-CE2 3.36Å; P58-F141 HydrophobicContact CG-CZ 4.28Å
59G94.9Very high95.7Very high29 Ų2913.5 Ų13.530%0.2998%0.083SC..SBendtrans-113.2-161.9-173.500000113.2G57 N61 G62 G63G57-G59 VanDerWaalsContact C-N 3.28Å; G57-G59 PolarHBondContact O-N 3Å; G59-N61 VanDerWaalsContact C-N 3.34Å; G59-N61 PolarHBondContact O-N 3.08Å; G59-G62 PolarHBondContact O-N 2.84Å; G59-G62 VanDerWaalsContact O-N 3.13Å; G59-G63 PolarHBondContact O-N 3.24Å
60N96.7Very high96.9Very high62 Ų629.8 Ų9.833%0.3326%0.061SC..Hα-helixtrans-58.7-41.8-177.6-70.5-1.9000112.7M25 G62 G63 D64 Y92M25-N60 HydrophobicContact CE-CB 4.02Å; N60-G62 PolarHBondContact O-N 2.88Å; N60-G63 CarbonylContact O-C 3.48Å; N60-G63 VanDerWaalsContact O-CA 3.25Å; N60-G63 WeakPolarHBondContact O-CA 3.21Å; N60-G63 PolarHBondContact O-N 2.93Å; N60-D64 PolarHBondContact O-N 2.79Å; N60-Y92 PolarHBondContact N-OH 2.92Å; N60-Y92 PolarHBondContact OD1-OH 2.97Å
61N97.8Very high97.7Very high9 Ų910.7 Ų10.75%0.0487%0.065CC..Hα-helixtrans-58.8-36.6178.2-154.542.3000112.5G59 G63 D64 G65 A127 F129 G130 I158G59-N61 VanDerWaalsContact C-N 3.34Å; G59-N61 PolarHBondContact O-N 3.08Å; N61-G63 VanDerWaalsContact C-N 3.33Å; N61-D64 WeakPolarHBondContact CA-OD2 3.17Å; N61-D64 WeakPolarHBondContact O-CB 3.48Å; N61-D64 PolarHBondContact O-N 3.08Å; N61-G65 PolarHBondContact O-N 3.19Å; N61-A127 CarbonylContact C-O 3.52Å; N61-A127 WeakPolarHBondContact O-CB 3.08Å; N61-F129 VanDerWaalsContact ND2-C 3.29Å; N61-F129 PolarHBondContact ND2-N 3.39Å; N61-G130 PolarHBondContact ND2-N 3.04Å; N61-I158 PolarHBondContact ND2-O 2.9Å; N61-I158 WeakPolarHBondContact OD1-CG2 3.5Å; N61-I158 PolarHBondContact OD1-O 3.28Å
62G98.1Very high97.8Very high0 Ų010.1 Ų10.10%06%0.061CC..Hα-helixtrans-68.6-33.7173.600000112.6G57 G59 N60 G65 L66 A127G57-G62 WeakPolarHBondContact O-CA 3.24Å; G59-G62 PolarHBondContact O-N 2.84Å; G59-G62 VanDerWaalsContact O-N 3.13Å; N60-G62 PolarHBondContact O-N 2.88Å; G62-G65 PolarHBondContact O-N 2.98Å; G62-L66 WeakPolarHBondContact O-CG 3.23Å; G62-L66 PolarHBondContact O-N 3.5Å; G62-A127 VanDerWaalsContact CA-O 3.22Å; G62-A127 WeakPolarHBondContact CA-O 3.47Å; G62-A127 PolarHBondContact N-O 2.66Å; G62-A127 VanDerWaalsContact N-O 3.15Å
63G98.4Very high97.9Very high0 Ų013.2 Ų13.20%07%0.074CC..Hα-helixtrans-61.4-44.8168.900000112.7G59 N60 N61 G65 L66 V67G59-G63 PolarHBondContact O-N 3.24Å; N60-G63 CarbonylContact O-C 3.48Å; N60-G63 VanDerWaalsContact O-CA 3.25Å; N60-G63 WeakPolarHBondContact O-CA 3.21Å; N60-G63 PolarHBondContact O-N 2.93Å; N61-G63 VanDerWaalsContact C-N 3.33Å; G63-G65 VanDerWaalsContact C-N 3.27Å; G63-G65 PolarHBondContact O-N 2.78Å; G63-L66 PolarHBondContact O-N 3.28Å; G63-L66 VanDerWaalsContact O-N 3.14Å; G63-V67 WeakPolarHBondContact O-CG2 3.15Å; G63-V67 PolarHBondContact O-N 2.78Å
64D98.8Very high97.9Very high15 Ų1518.9 Ų18.98%0.0810%0.102CC..Hα-helixtrans-59.7-40173.7-58.1-44.4000111M25 N60 N61 V67 C68 I158M25-D64 WeakPolarHBondContact CA-OD1 3.4Å; M25-D64 WeakPolarHBondContact CG-OD1 3.4Å; N60-D64 PolarHBondContact O-N 2.79Å; N61-D64 WeakPolarHBondContact CA-OD2 3.17Å; N61-D64 WeakPolarHBondContact O-CB 3.48Å; N61-D64 PolarHBondContact O-N 3.08Å; D64-V67 PolarHBondContact O-N 2.84Å; D64-C68 WeakPolarHBondContact O-CB 3.28Å; D64-C68 PolarHBondContact O-N 3.33Å; D64-I158 HydrophobicContact CB-CG2 4.26Å
65G98.9Very high97.8Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-60.6-43.2172.500000113.7N61 G62 G63 C68 A69N61-G65 PolarHBondContact O-N 3.19Å; G62-G65 PolarHBondContact O-N 2.98Å; G63-G65 VanDerWaalsContact C-N 3.27Å; G63-G65 PolarHBondContact O-N 2.78Å; G65-C68 PolarHBondContact O-N 3.11Å; G65-A69 WeakPolarHBondContact O-CB 3.47Å; G65-A69 PolarHBondContact O-N 3.24Å
66L98.9Very high97.8Very high0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-64.8-45.5176.5-67.7171.7000111.8G62 G63 C68 A69 R70 I81 Y83 L95 V96 C99 F106G62-L66 WeakPolarHBondContact O-CG 3.23Å; G62-L66 PolarHBondContact O-N 3.5Å; G63-L66 PolarHBondContact O-N 3.28Å; G63-L66 VanDerWaalsContact O-N 3.14Å; L66-C68 VanDerWaalsContact C-N 3.34Å; L66-A69 PolarHBondContact O-N 2.82Å; L66-R70 PolarHBondContact O-N 2.9Å; L66-I81 HydrophobicContact CD2-CD1 3.81Å; L66-I81 HydrophobicContact CD2-CG2 4.01Å; L66-Y83 HydrophobicContact CD1-CD1 4.41Å; L66-Y83 HydrophobicContact CD1-CE1 4.02Å; L66-Y83 HydrophobicContact CD2-CD1 4.43Å; L66-L95 HydrophobicContact CB-CB 4.01Å; L66-L95 HydrophobicContact CB-CD1 4.47Å; L66-L95 HydrophobicContact CD1-CB 3.67Å; L66-L95 HydrophobicContact CD1-CD1 4.36Å; L66-L95 HydrophobicContact CG-CB 4.48Å; L66-V96 HydrophobicContact CD1-CG2 4.04Å; L66-V96 HydrophobicContact CD2-CG2 4.49Å; L66-C99 PolarHBondContact O-SG 2.92Å; L66-F106 HydrophobicContact CD2-CE1 4.05Å; L66-F106 HydrophobicContact CD2-CZ 4.04Å
67V98.9Very high97.8Very high1 Ų124.1 Ų24.11%0.00614%0.135CC..Hα-helixtrans-60.7-46.1174.6170.30000110.4M25 G63 D64 A69 R70 H71 L95M25-V67 HydrophobicContact CG-CG2 4.09Å; G63-V67 WeakPolarHBondContact O-CG2 3.15Å; G63-V67 PolarHBondContact O-N 2.78Å; D64-V67 PolarHBondContact O-N 2.84Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.24Å; V67-R70 PolarHBondContact O-N 2.92Å; V67-H71 PolarHBondContact O-CD2 2.91Å; V67-H71 PolarHBondContact O-N 3.05Å; V67-L95 HydrophobicContact CG2-CD1 4.37Å; V67-L95 HydrophobicContact CG2-CD2 3.69Å
68C98.9Very high97.8Very high0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-58.9-45.1177.6179.10000111.5G29 C32 D64 G65 L66 R70 H71 L72 I158G29-C68 WeakPolarHBondContact O-CA 3.4Å; C32-C68 HydrophobicContact CB-CB 4.12Å; D64-C68 WeakPolarHBondContact O-CB 3.28Å; D64-C68 PolarHBondContact O-N 3.33Å; G65-C68 PolarHBondContact O-N 3.11Å; L66-C68 VanDerWaalsContact C-N 3.34Å; C68-R70 PolarHBondContact O-N 3.01Å; C68-H71 PolarHBondContact O-N 3.38Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.45Å; C68-L72 PolarHBondContact O-N 3.11Å; C68-I158 HydrophobicContact CB-CD1 4.25Å
69A98.9Very high98Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-58.7-46175.700000111.5V54 G65 L66 V67 H71 L72 K73 P79 I81 I104V54-A69 HydrophobicContact CG2-CB 4.01Å; G65-A69 WeakPolarHBondContact O-CB 3.47Å; G65-A69 PolarHBondContact O-N 3.24Å; L66-A69 PolarHBondContact O-N 2.82Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.24Å; A69-H71 PolarHBondContact O-N 2.95Å; A69-L72 PolarHBondContact O-N 2.79Å; A69-K73 PolarHBondContact O-N 3.26Å; A69-P79 HydrophobicContact CB-CB 4.15Å; A69-P79 WeakPolarHBondContact O-CG 3.42Å; A69-I81 HydrophobicContact CB-CD1 3.94Å; A69-I81 HydrophobicContact CB-CG1 4.04Å; A69-I104 HydrophobicContact CB-CD1 4.47Å
70R98.7Very high98.1Very high29 Ų2925.8 Ų25.811%0.10913%0.131CC..Hα-helixtrans-59-46.9177174.5166.850.567.5-2.2112.3E26 L66 V67 C68 K73 M74 Q98 M102E26-R70 VanDerWaalsContact CD-NH2 3.34Å; E26-R70 IonicContact OE1-CZ 3.36Å; E26-R70 IonicContact OE1-NH1 2.66Å; E26-R70 PolarHBondContact OE1-NH1 3.22Å; E26-R70 IonicContact OE1-NH2 3.68Å; E26-R70 PolarHBondContact OE1-NH2 3.35Å; E26-R70 IonicContact OE2-CZ 2.69Å; E26-R70 IonicContact OE2-NH1 3.52Å; E26-R70 IonicContact OE2-NH2 3.81Å; E26-R70 PolarHBondContact OE2-NH2 2.91Å; L66-R70 PolarHBondContact O-N 2.9Å; V67-R70 PolarHBondContact O-N 2.92Å; C68-R70 PolarHBondContact O-N 3.01Å; R70-K73 WeakPolarHBondContact O-CB 3.28Å; R70-K73 PolarHBondContact O-N 3.41Å; R70-M74 HydrophobicContact CG-SD 4.49Å; R70-M74 WeakPolarHBondContact O-CG 3.45Å; R70-M74 PolarHBondContact O-N 3.2Å; R70-Q98 VanDerWaalsContact NH2-OE1 3.1Å; R70-M102 HydrophobicContact CG-CG 4.36Å
71H98.8Very high98.2Very high19 Ų1922.9 Ų22.99%0.08812%0.115CC..Hα-helixtrans-67.5-39.7178-76.3-61.8000112.7E26 L30 A33 V67 C68 A69 K73 M74 F75E26-H71 IonicContact OE1-CD2 2.57Å; E26-H71 IonicContact OE1-CE1 3.24Å; E26-H71 PolarHBondContact OE1-CE1 3.48Å; E26-H71 IonicContact OE1-NE2 2.87Å; E26-H71 PolarHBondContact OE1-NE2 3.4Å; L30-H71 HydrophobicContact CD1-CB 4.29Å; A33-H71 HydrophobicContact CB-CB 3.5Å; V67-H71 PolarHBondContact O-CD2 2.91Å; V67-H71 PolarHBondContact O-N 3.05Å; C68-H71 PolarHBondContact O-N 3.38Å; A69-H71 PolarHBondContact O-N 2.95Å; H71-K73 VanDerWaalsContact C-N 3.31Å; H71-K73 PolarHBondContact O-N 3Å; H71-M74 CarbonylContact O-C 3.55Å; H71-M74 WeakPolarHBondContact O-CA 3.24Å; H71-M74 WeakPolarHBondContact O-CB 3.46Å; H71-M74 PolarHBondContact O-N 3.12Å; H71-F75 HydrophobicContact CB-CE2 4.5Å; H71-F75 HydrophobicContact CB-CZ 4.28Å; H71-F75 WeakPolarHBondContact O-CD1 3.17Å; H71-F75 VanDerWaalsContact O-CG 3.26Å; H71-F75 WeakPolarHBondContact O-CG 3.25Å; H71-F75 PolarHBondContact O-N 3.24Å
72L98.6Very high98.1Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-59.5-41174.4-75.4174000111.9A33 I36 C68 A69 M74 F75 G76 Y77 I125A33-L72 HydrophobicContact CB-CD2 4.08Å; A33-L72 HydrophobicContact CB-CG 3.92Å; I36-L72 HydrophobicContact CB-CD2 4.19Å; I36-L72 HydrophobicContact CD1-CD1 4.13Å; I36-L72 HydrophobicContact CG2-CD1 4.46Å; I36-L72 HydrophobicContact CG2-CD2 3.87Å; C68-L72 WeakPolarHBondContact O-CB 3.34Å; C68-L72 VanDerWaalsContact O-CG 3.28Å; C68-L72 WeakPolarHBondContact O-CG 3.45Å; C68-L72 PolarHBondContact O-N 3.11Å; A69-L72 PolarHBondContact O-N 2.79Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 3.38Å; L72-F75 PolarHBondContact O-N 2.9Å; L72-F75 VanDerWaalsContact O-N 3.11Å; L72-G76 PolarHBondContact O-N 3.38Å; L72-Y77 HydrophobicContact CB-CD2 4.3Å; L72-Y77 HydrophobicContact CB-CG 4.31Å; L72-Y77 HydrophobicContact CD2-CD1 4.45Å; L72-Y77 HydrophobicContact CD2-CD2 3.74Å; L72-Y77 HydrophobicContact CD2-CE2 3.96Å; L72-Y77 HydrophobicContact CD2-CG 4.04Å; L72-Y77 WeakPolarHBondContact O-CB 3.17Å; L72-Y77 WeakPolarHBondContact O-CD2 3.37Å; L72-Y77 PolarHBondContact O-N 3.01Å; L72-I125 HydrophobicContact CD1-CD1 3.43Å; L72-I125 VanDerWaalsContact CD1-CD1 3.43Å
73K98.3Very high98Very high66 Ų6624 Ų2429%0.28712%0.12SC..Hα-helixtrans-56.7-45172.1-179.374.4178.5-142.40111.3A69 R70 H71 F75 G76 P79 M102 D103 I104A69-K73 PolarHBondContact O-N 3.26Å; R70-K73 WeakPolarHBondContact O-CB 3.28Å; R70-K73 PolarHBondContact O-N 3.41Å; H71-K73 VanDerWaalsContact C-N 3.31Å; H71-K73 PolarHBondContact O-N 3Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.12Å; K73-G76 PolarHBondContact O-N 3Å; K73-G76 VanDerWaalsContact O-N 3.12Å; K73-P79 HydrophobicContact CB-CG 3.87Å; K73-P79 HydrophobicContact CD-CG 4.43Å; K73-M102 WeakPolarHBondContact CE-O 3.3Å; K73-M102 HydrophobicContact CG-CE 4.46Å; K73-M102 PolarHBondContact NZ-O 3.47Å; K73-D103 PolarHBondContact NZ-O 3.44Å; K73-I104 HydrophobicContact CB-CD1 3.82Å; K73-I104 HydrophobicContact CB-CG1 4.15Å; K73-I104 HydrophobicContact CD-CG1 4.16Å; K73-I104 HydrophobicContact CG-CD1 4.25Å; K73-I104 HydrophobicContact CG-CG1 4.09Å
74M97.9Very high97.7Very high119 Ų11926.2 Ų26.259%0.58613%0.134SC*.Hα-helixtrans-67-26.7177.6-65.3174.567.700113R70 H71 L72 G76 M102R70-M74 HydrophobicContact CG-SD 4.49Å; R70-M74 WeakPolarHBondContact O-CG 3.45Å; R70-M74 PolarHBondContact O-N 3.2Å; H71-M74 CarbonylContact O-C 3.55Å; H71-M74 WeakPolarHBondContact O-CA 3.24Å; H71-M74 WeakPolarHBondContact O-CB 3.46Å; H71-M74 PolarHBondContact O-N 3.12Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 3.38Å; M74-G76 VanDerWaalsContact C-N 3.25Å; M74-G76 PolarHBondContact O-N 3.14Å; M74-M102 HydrophobicContact CG-CE 3.64Å; M74-M102 HydrophobicContact SD-CE 4.36Å
75F97.3Very high97.3Very high71 Ų7129.3 Ų29.331%0.31115%0.145SC..THydrogen-bonded Turntrans-81.3-2.8174.7-60.3-10.3000113.2L30 A33 V34 N37 L42 H71 L72 K73 Y77L30-F75 HydrophobicContact CD1-CZ 3.95Å; A33-F75 HydrophobicContact CB-CD2 4.23Å; A33-F75 HydrophobicContact CB-CE2 3.68Å; A33-F75 HydrophobicContact CB-CZ 4.43Å; V34-F75 HydrophobicContact CG2-CE2 3.9Å; V34-F75 HydrophobicContact CG2-CZ 3.92Å; N37-F75 HydrophobicContact CB-CD2 4.26Å; L42-F75 VanDerWaalsContact CD1-O 3.28Å; L42-F75 WeakPolarHBondContact CD1-O 3.39Å; H71-F75 HydrophobicContact CB-CE2 4.5Å; H71-F75 HydrophobicContact CB-CZ 4.28Å; H71-F75 WeakPolarHBondContact O-CD1 3.17Å; H71-F75 VanDerWaalsContact O-CG 3.26Å; H71-F75 WeakPolarHBondContact O-CG 3.25Å; H71-F75 PolarHBondContact O-N 3.24Å; L72-F75 PolarHBondContact O-N 2.9Å; L72-F75 VanDerWaalsContact O-N 3.11Å; K73-F75 VanDerWaalsContact C-N 3.27Å; K73-F75 PolarHBondContact O-N 3.12Å; F75-Y77 HydrophobicContact CB-CD2 3.9Å; F75-Y77 HydrophobicContact CB-CE2 3.97Å
76G96.5Very high96.8Very high35 Ų3536.6 Ų36.636%0.36118%0.183SC..THydrogen-bonded Turntrans98.71.817700000115.2L72 K73 M74L72-G76 PolarHBondContact O-N 3.38Å; K73-G76 PolarHBondContact O-N 3Å; K73-G76 VanDerWaalsContact O-N 3.12Å; M74-G76 VanDerWaalsContact C-N 3.25Å; M74-G76 PolarHBondContact O-N 3.14Å
77Y98Very high96.5Very high3 Ų337.8 Ų37.81%0.01219%0.191CC..  trans-71.3164.8171.2-63-103.3000110.5N37 Y40 L42 L45 V52 L72 F75 P79N37-Y77 WeakPolarHBondContact CA-OH 3.34Å; N37-Y77 HydrophobicContact CB-CE2 4.23Å; N37-Y77 WeakPolarHBondContact OD1-CE2 3.43Å; N37-Y77 PolarHBondContact OD1-OH 2.89Å; Y40-Y77 PolarHBondContact O-OH 2.78Å; L42-Y77 HydrophobicContact CD1-CD2 4.45Å; L42-Y77 HydrophobicContact CD1-CE2 4.31Å; L42-Y77 HydrophobicContact CD2-CD1 3.62Å; L42-Y77 HydrophobicContact CD2-CD2 3.96Å; L42-Y77 HydrophobicContact CD2-CE1 3.72Å; L42-Y77 HydrophobicContact CD2-CE2 4.04Å; L42-Y77 HydrophobicContact CD2-CG 3.72Å; L42-Y77 HydrophobicContact CG-CD1 4.4Å; L42-Y77 HydrophobicContact CG-CD2 4.17Å; L42-Y77 HydrophobicContact CG-CE1 4.1Å; L42-Y77 HydrophobicContact CG-CE2 3.83Å; L42-Y77 HydrophobicContact CG-CG 4.41Å; L42-Y77 PolarHBondContact N-OH 2.89Å; L45-Y77 HydrophobicContact CD1-CD1 3.96Å; L45-Y77 HydrophobicContact CD1-CE1 3.63Å; V52-Y77 HydrophobicContact CG2-CD1 3.92Å; L72-Y77 HydrophobicContact CB-CD2 4.3Å; L72-Y77 HydrophobicContact CB-CG 4.31Å; L72-Y77 HydrophobicContact CD2-CD1 4.45Å; L72-Y77 HydrophobicContact CD2-CD2 3.74Å; L72-Y77 HydrophobicContact CD2-CE2 3.96Å; L72-Y77 HydrophobicContact CD2-CG 4.04Å; L72-Y77 WeakPolarHBondContact O-CB 3.17Å; L72-Y77 WeakPolarHBondContact O-CD2 3.37Å; L72-Y77 PolarHBondContact O-N 3.01Å; F75-Y77 HydrophobicContact CB-CD2 3.9Å; F75-Y77 HydrophobicContact CB-CE2 3.97Å; Y77-P79 WeakPolarHBondContact O-CD 3.27Å
78K97Very high96.2Very high97 Ų9743.5 Ų43.542%0.42223%0.226SC..EExtended strand (participates in β ladder)trans-114.576.3175.2-63.1-172.5-168.7164.20110.5S48 G50 S51 V52S48-K78 VanDerWaalsContact O-CD 3.28Å; S48-K78 WeakPolarHBondContact O-CD 3.45Å; S48-K78 WeakPolarHBondContact O-CE 3.26Å; S48-K78 PolarHBondContact O-NZ 2.76Å; G50-K78 PolarHBondContact O-N 3.34Å; S51-K78 WeakPolarHBondContact CA-O 3.27Å; V52-K78 PolarHBondContact N-O 3.46Å; V52-K78 VanDerWaalsContact N-O 3.11Å
79P97.9Very high96.1Very high3 Ų349.3 Ų49.32%0.01925%0.251CS..EExtended strand (participates in β ladder)trans-67.9148.2177.329.4-34.3000110.8V52 V54 A69 K73 Y77 I104 P105V52-P79 CarbonylContact O-C 3.49Å; V52-P79 VanDerWaalsContact O-CA 3.24Å; V52-P79 WeakPolarHBondContact O-CA 3.47Å; V54-P79 HydrophobicContact CG2-CB 4.5Å; A69-P79 HydrophobicContact CB-CB 4.15Å; A69-P79 WeakPolarHBondContact O-CG 3.42Å; K73-P79 HydrophobicContact CB-CG 3.87Å; K73-P79 HydrophobicContact CD-CG 4.43Å; Y77-P79 WeakPolarHBondContact O-CD 3.27Å; P79-I104 HydrophobicContact CB-CG2 4.24Å; P79-I104 HydrophobicContact CG-CD1 3.96Å; P79-I104 HydrophobicContact CG-CG1 4.1Å; P79-I104 HydrophobicContact CG-CG2 4.05Å; P79-P105 WeakPolarHBondContact O-CD 3.19Å
80S97.1Very high96Very high13 Ų1354.7 Ų54.79%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-125.7151.3159.1-51.60000107.4V52 V54 P105 Y121V52-S80 PolarHBondContact O-N 3.38Å; V54-S80 PolarHBondContact N-O 3.01Å; S80-P105 CarbonylContact C-O 3.34Å; S80-P105 WeakPolarHBondContact CA-O 3.14Å; S80-Y121 WeakPolarHBondContact CB-OH 3.36Å; S80-Y121 PolarHBondContact OG-OH 3.48Å
81I98.1Very high96Very high0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-118.4123.6-175.8-63.6160.6000109.6V54 C56 L66 A69 C99 I104 P105 F106 L107V54-I81 HydrophobicContact CB-CG1 4.36Å; V54-I81 CarbonylContact O-C 3.51Å; V54-I81 WeakPolarHBondContact O-CA 3.42Å; C56-I81 HydrophobicContact CB-CG2 4.45Å; L66-I81 HydrophobicContact CD2-CD1 3.81Å; L66-I81 HydrophobicContact CD2-CG2 4.01Å; A69-I81 HydrophobicContact CB-CD1 3.94Å; A69-I81 HydrophobicContact CB-CG1 4.04Å; I81-C99 HydrophobicContact CD1-CB 3.8Å; I81-I104 HydrophobicContact CD1-CB 4.43Å; I81-I104 HydrophobicContact CD1-CG2 3.55Å; I81-I104 HydrophobicContact CG1-CG2 3.86Å; I81-P105 PolarHBondContact N-O 2.82Å; I81-F106 HydrophobicContact CB-CD1 3.88Å; I81-F106 HydrophobicContact CB-CE1 3.85Å; I81-F106 HydrophobicContact CB-CG 4.35Å; I81-F106 HydrophobicContact CB-CZ 4.29Å; I81-F106 HydrophobicContact CD1-CE1 3.99Å; I81-F106 HydrophobicContact CD1-CE2 4Å; I81-F106 HydrophobicContact CD1-CZ 3.59Å; I81-F106 HydrophobicContact CG2-CD1 3.71Å; I81-F106 HydrophobicContact CG2-CE1 3.47Å; I81-F106 VanDerWaalsContact CG2-CE1 3.47Å; I81-F106 HydrophobicContact CG2-CZ 4.24Å; I81-F106 CarbonylContact O-C 3.54Å; I81-F106 VanDerWaalsContact O-CA 3.27Å; I81-F106 WeakPolarHBondContact O-CA 3.48Å; I81-L107 PolarHBondContact O-N 3.4Å
82H96.5Very high95.9Very high12 Ų1253.8 Ų53.86%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-97.2111.9162-179.365.5000109L53 V54 F55 C56 L107 P108 L110 I144L53-H82 HydrophobicContact CD1-CB 4.26Å; V54-H82 PolarHBondContact O-N 3.3Å; F55-H82 HydrophobicContact CD1-CB 3.98Å; F55-H82 AromaticContact CD1-CD2 3.89Å; F55-H82 HydrophobicContact CE1-CB 4.39Å; C56-H82 PolarHBondContact N-O 2.94Å; H82-L107 PolarHBondContact ND1-O 2.89Å; H82-P108 PolarHBondContact CE1-O 3.24Å; H82-L110 HydrophobicContact CB-CD1 4.02Å; H82-L110 HydrophobicContact CB-CD2 4.41Å; H82-L110 HydrophobicContact CB-CG 4.43Å; H82-I144 WeakPolarHBondContact NE2-CD1 3.21Å
83Y96.4Very high95.9Very high22 Ų2258 Ų589%0.08629%0.292CS..  trans-126.391.4177.6-164.7174.9000109.1C56 G57 L66 R85 P87 V96 F106C56-Y83 HydrophobicContact CB-CD1 4.23Å; C56-Y83 HydrophobicContact CB-CD2 4.08Å; C56-Y83 HydrophobicContact CB-CG 3.93Å; C56-Y83 VanDerWaalsContact O-CD2 3.3Å; C56-Y83 WeakPolarHBondContact O-CD2 3.18Å; G57-Y83 WeakPolarHBondContact O-CE2 3.28Å; G57-Y83 PolarHBondContact O-OH 3.38Å; L66-Y83 HydrophobicContact CD1-CD1 4.41Å; L66-Y83 HydrophobicContact CD1-CE1 4.02Å; L66-Y83 HydrophobicContact CD2-CD1 4.43Å; Y83-R85 VanDerWaalsContact CD2-O 3.27Å; Y83-R85 WeakPolarHBondContact CD2-O 3.34Å; Y83-R85 HydrophobicContact CE2-CB 4.37Å; Y83-R85 WeakPolarHBondContact CE2-O 3.26Å; Y83-R85 PolarHBondContact O-N 2.98Å; Y83-P87 HydrophobicContact CE1-CB 4.34Å; Y83-P87 HydrophobicContact CE1-CG 4.45Å; Y83-V96 HydrophobicContact CD1-CG2 4.11Å; Y83-V96 HydrophobicContact CE1-CG2 4.15Å; Y83-F106 HydrophobicContact CD1-CE1 4.47Å
84P91Very high95.9Very high46 Ų4657.8 Ų57.830%0.29929%0.294SS..  trans-70.5-3.4-169.727.9-36.6000114.2F141 I144P84-F141 HydrophobicContact CG-CD1 4.13Å; P84-F141 HydrophobicContact CG-CE1 3.5Å; P84-F141 HydrophobicContact CG-CZ 4.17Å; P84-I144 HydrophobicContact CB-CD1 4.42Å; P84-I144 HydrophobicContact CG-CD1 3.81Å
85R90.1Very high96Very high80 Ų8052.5 Ų52.530%0.30227%0.269SS..SBendtrans-129135.9179.8-72.2-172.9170-147.7-11.2110.8Y83 R138 E140 F141Y83-R85 VanDerWaalsContact CD2-O 3.27Å; Y83-R85 WeakPolarHBondContact CD2-O 3.34Å; Y83-R85 HydrophobicContact CE2-CB 4.37Å; Y83-R85 WeakPolarHBondContact CE2-O 3.26Å; Y83-R85 PolarHBondContact O-N 2.98Å; R85-R138 VanDerWaalsContact NH1-NH1 3.1Å; R85-R138 VanDerWaalsContact NH2-CD 3.34Å; R85-E140 IonicContact CZ-OE1 3.1Å; R85-E140 IonicContact NE-OE1 2.75Å; R85-E140 PolarHBondContact NE-OE1 3.31Å; R85-E140 VanDerWaalsContact NE-OE1 3.1Å; R85-E140 IonicContact NH2-OE1 3.2Å; R85-E140 PolarHBondContact NH2-OE1 3.48Å; R85-F141 HydrophobicContact CG-CZ 4.3Å
86N89.9Confident96Very high153 Ų15350.1 Ų50.182%0.81826%0.26SS*.  trans-65.6128.9171.6-68.8-32.2000110.2T88N86-T88 PolarHBondContact O-N 3.48Å
87P91.4Very high96.1Very high24 Ų2452.4 Ų52.416%0.15626%0.263CS..  trans-65130.2177.224.8-33.6000111.5Y83 Y92 K93 V96Y83-P87 HydrophobicContact CE1-CB 4.34Å; Y83-P87 HydrophobicContact CE1-CG 4.45Å; P87-Y92 VanDerWaalsContact CB-CB 3.48Å; P87-K93 HydrophobicContact CB-CG 4.13Å; P87-K93 HydrophobicContact CG-CG 3.98Å; P87-K93 WeakPolarHBondContact O-CE 3.42Å; P87-V96 HydrophobicContact CG-CG2 3.98Å
88T92.3Very high96.2Very high121 Ų12155.7 Ų55.774%0.74228%0.278SS*.  trans-94.5-38.9178.255.10000112.6N86 K93N86-T88 PolarHBondContact O-N 3.48Å; T88-K93 WeakPolarHBondContact O-CE 3.47Å
89K96.6Very high96.2Very high122 Ų12251.1 Ų51.153%0.5326%0.259SS..SBendtrans-73.6141.9177.2-61.8-173.1-174.5173.30111.3L91 Y92 K93K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 3.33Å; K89-Y92 HydrophobicContact CB-CD2 3.89Å; K89-Y92 HydrophobicContact CB-CE2 4.03Å; K89-Y92 HydrophobicContact CB-CG 4.47Å; K89-Y92 HydrophobicContact CD-CD2 4.4Å; K89-Y92 HydrophobicContact CD-CE2 3.69Å; K89-Y92 HydrophobicContact CG-CD2 4.34Å; K89-Y92 HydrophobicContact CG-CE2 4.05Å; K89-Y92 PolarHBondContact O-N 2.82Å; K89-K93 PolarHBondContact O-N 2.98Å
90Q97.9Very high96.3Very high114 Ų11455.9 Ų55.953%0.53328%0.281SS..Hα-helixtrans-59.4-37.1-179.9-169.259.338.500112.6Y92 K93 N94Q90-Y92 PolarHBondContact O-N 3.04Å; Q90-K93 PolarHBondContact O-N 2.99Å; Q90-N94 PolarHBondContact NE2-OD1 3.2Å; Q90-N94 VanDerWaalsContact O-CG 3.24Å; Q90-N94 PolarHBondContact O-N 2.84Å; Q90-N94 PolarHBondContact O-OD1 3.49Å
91L97.9Very high96.3Very high24 Ų2463.3 Ų63.313%0.12631%0.311CS..Hα-helixtrans-48.2-57.317317354.7000112V21 D22 M25 K89 K93 N94 L95V21-L91 HydrophobicContact CB-CD2 4.15Å; V21-L91 HydrophobicContact CG1-CD2 3.56Å; D22-L91 HydrophobicContact CB-CD1 4.34Å; D22-L91 WeakPolarHBondContact OD1-CD1 3.47Å; M25-L91 HydrophobicContact CE-CD2 3.95Å; M25-L91 HydrophobicContact SD-CD1 4.35Å; M25-L91 HydrophobicContact SD-CD2 4.14Å; M25-L91 HydrophobicContact SD-CG 4.34Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 3.33Å; L91-K93 PolarHBondContact O-N 3.04Å; L91-N94 WeakPolarHBondContact O-CB 3.18Å; L91-N94 PolarHBondContact O-N 3Å; L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 2.57Å; L91-L95 VanDerWaalsContact O-N 3.13Å
92Y98.1Very high96.3Very high5 Ų566.5 Ų66.52%0.0233%0.327CS..Hα-helixtrans-70.4-32.3-176.4-49-35.2000112.4M25 P58 N60 P87 K89 Q90 N94 L95 V96M25-Y92 HydrophobicContact CE-CE1 4.06Å; P58-Y92 WeakPolarHBondContact O-CE2 3.36Å; N60-Y92 PolarHBondContact N-OH 2.92Å; N60-Y92 PolarHBondContact OD1-OH 2.97Å; P87-Y92 VanDerWaalsContact CB-CB 3.48Å; K89-Y92 HydrophobicContact CB-CD2 3.89Å; K89-Y92 HydrophobicContact CB-CE2 4.03Å; K89-Y92 HydrophobicContact CB-CG 4.47Å; K89-Y92 HydrophobicContact CD-CD2 4.4Å; K89-Y92 HydrophobicContact CD-CE2 3.69Å; K89-Y92 HydrophobicContact CG-CD2 4.34Å; K89-Y92 HydrophobicContact CG-CE2 4.05Å; K89-Y92 PolarHBondContact O-N 2.82Å; Q90-Y92 PolarHBondContact O-N 3.04Å; Y92-N94 VanDerWaalsContact C-N 3.34Å; Y92-L95 HydrophobicContact CD1-CD1 4.5Å; Y92-L95 PolarHBondContact O-N 3.39Å; Y92-V96 WeakPolarHBondContact O-CG2 3.45Å; Y92-V96 PolarHBondContact O-N 2.83Å
93K98.3Very high96.4Very high87 Ų8772.1 Ų72.138%0.37836%0.357SS..Hα-helixtrans-61.2-43.6172.4-68.8176.2-179.8176.10111.3P87 T88 K89 Q90 L91 L95 V96 I97P87-K93 HydrophobicContact CB-CG 4.13Å; P87-K93 HydrophobicContact CG-CG 3.98Å; P87-K93 WeakPolarHBondContact O-CE 3.42Å; T88-K93 WeakPolarHBondContact O-CE 3.47Å; K89-K93 PolarHBondContact O-N 2.98Å; Q90-K93 PolarHBondContact O-N 2.99Å; L91-K93 PolarHBondContact O-N 3.04Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 3.08Å; K93-V96 PolarHBondContact O-N 2.98Å; K93-I97 WeakPolarHBondContact O-CG1 3.46Å; K93-I97 PolarHBondContact O-N 3.27Å
94N98.6Very high96.5Very high62 Ų6271.3 Ų71.333%0.33235%0.354SS..Hα-helixtrans-61.7-42176.4-67.6-10000111.2Q90 L91 Y92 I97 Q98Q90-N94 PolarHBondContact NE2-OD1 3.2Å; Q90-N94 VanDerWaalsContact O-CG 3.24Å; Q90-N94 PolarHBondContact O-N 2.84Å; Q90-N94 PolarHBondContact O-OD1 3.49Å; L91-N94 WeakPolarHBondContact O-CB 3.18Å; L91-N94 PolarHBondContact O-N 3Å; Y92-N94 VanDerWaalsContact C-N 3.34Å; N94-I97 PolarHBondContact O-N 2.91Å; N94-Q98 VanDerWaalsContact O-CG 3.26Å; N94-Q98 WeakPolarHBondContact O-CG 3.31Å; N94-Q98 PolarHBondContact O-N 2.85Å
95L98.7Very high96.7Very high9 Ų972 Ų725%0.04736%0.359CS..Hα-helixtrans-65.1-38.6176.9-65.7174.5000112.9M25 L66 V67 L91 Y92 K93 Q98 C99M25-L95 HydrophobicContact SD-CD1 3.48Å; M25-L95 WeakPolarHBondContact SD-CD1 3.39Å; L66-L95 HydrophobicContact CB-CB 4.01Å; L66-L95 HydrophobicContact CB-CD1 4.47Å; L66-L95 HydrophobicContact CD1-CB 3.67Å; L66-L95 HydrophobicContact CD1-CD1 4.36Å; L66-L95 HydrophobicContact CG-CB 4.48Å; V67-L95 HydrophobicContact CG2-CD1 4.37Å; V67-L95 HydrophobicContact CG2-CD2 3.69Å; L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 2.57Å; L91-L95 VanDerWaalsContact O-N 3.13Å; Y92-L95 HydrophobicContact CD1-CD1 4.5Å; Y92-L95 PolarHBondContact O-N 3.39Å; K93-L95 VanDerWaalsContact C-N 3.33Å; K93-L95 PolarHBondContact O-N 3.08Å; L95-Q98 PolarHBondContact O-N 3.23Å; L95-C99 PolarHBondContact O-N 2.86Å; L95-C99 PolarHBondContact O-SG 2.77Å
96V98.5Very high97Very high20 Ų2070.8 Ų70.812%0.12136%0.356CS..Hα-helixtrans-61.4-49.3173168.40000110.5L66 Y83 P87 Y92 K93 Q98 C99 E100 F106L66-V96 HydrophobicContact CD1-CG2 4.04Å; L66-V96 HydrophobicContact CD2-CG2 4.49Å; Y83-V96 HydrophobicContact CD1-CG2 4.11Å; Y83-V96 HydrophobicContact CE1-CG2 4.15Å; P87-V96 HydrophobicContact CG-CG2 3.98Å; Y92-V96 WeakPolarHBondContact O-CG2 3.45Å; Y92-V96 PolarHBondContact O-N 2.83Å; K93-V96 PolarHBondContact O-N 2.98Å; V96-Q98 VanDerWaalsContact C-N 3.28Å; V96-Q98 PolarHBondContact O-N 3.49Å; V96-C99 WeakPolarHBondContact O-CB 3.42Å; V96-C99 PolarHBondContact O-N 2.84Å; V96-E100 HydrophobicContact CG1-CG 4.28Å; V96-E100 WeakPolarHBondContact O-CG 3.3Å; V96-E100 PolarHBondContact O-N 3.35Å; V96-F106 HydrophobicContact CB-CZ 4.24Å; V96-F106 HydrophobicContact CG1-CE1 4.26Å; V96-F106 HydrophobicContact CG1-CE2 4.24Å; V96-F106 HydrophobicContact CG1-CZ 3.87Å; V96-F106 HydrophobicContact CG2-CE1 4.1Å; V96-F106 HydrophobicContact CG2-CZ 4.07Å
97I98.5Very high97.2Very high84 Ų8465.3 Ų65.343%0.43133%0.327SS..Hα-helixtrans-57.1-42.7176.9-67.7165.6000111K93 N94 C99 E100 K101K93-I97 WeakPolarHBondContact O-CG1 3.46Å; K93-I97 PolarHBondContact O-N 3.27Å; N94-I97 PolarHBondContact O-N 2.91Å; I97-C99 VanDerWaalsContact C-N 3.34Å; I97-C99 PolarHBondContact O-N 3.12Å; I97-E100 PolarHBondContact O-N 3.17Å; I97-K101 HydrophobicContact CG2-CG 4.15Å; I97-K101 WeakPolarHBondContact O-CB 3.4Å; I97-K101 WeakPolarHBondContact O-CG 3.46Å; I97-K101 PolarHBondContact O-N 3.39Å
98Q98.8Very high97.1Very high72 Ų7269.5 Ų69.534%0.33635%0.353SS..Hα-helixtrans-60-43.1176.3-71.3168.123.900112R70 N94 L95 V96 M102R70-Q98 VanDerWaalsContact NH2-OE1 3.1Å; N94-Q98 VanDerWaalsContact O-CG 3.26Å; N94-Q98 WeakPolarHBondContact O-CG 3.31Å; N94-Q98 PolarHBondContact O-N 2.85Å; L95-Q98 PolarHBondContact O-N 3.23Å; V96-Q98 VanDerWaalsContact C-N 3.28Å; V96-Q98 PolarHBondContact O-N 3.49Å; Q98-M102 VanDerWaalsContact O-CG 3.24Å; Q98-M102 WeakPolarHBondContact O-CG 3.35Å; Q98-M102 PolarHBondContact O-N 2.86Å
99C98.8Very high96.7Very high1 Ų168 Ų681%0.00734%0.341CS..Hα-helixtrans-66.5-44.4177.9-66.20000111.8L66 I81 L95 V96 I97 K101 M102 D103 I104 F106L66-C99 PolarHBondContact O-SG 2.92Å; I81-C99 HydrophobicContact CD1-CB 3.8Å; L95-C99 PolarHBondContact O-N 2.86Å; L95-C99 PolarHBondContact O-SG 2.77Å; V96-C99 WeakPolarHBondContact O-CB 3.42Å; V96-C99 PolarHBondContact O-N 2.84Å; I97-C99 VanDerWaalsContact C-N 3.34Å; I97-C99 PolarHBondContact O-N 3.12Å; C99-K101 VanDerWaalsContact C-N 3.34Å; C99-K101 PolarHBondContact O-N 2.9Å; C99-M102 CarbonylContact O-C 3.55Å; C99-M102 PolarHBondContact O-N 3.49Å; C99-M102 VanDerWaalsContact O-N 3.09Å; C99-D103 PolarHBondContact O-N 3.22Å; C99-I104 HydrophobicContact CB-CB 4.25Å; C99-I104 HydrophobicContact CB-CD1 4.23Å; C99-I104 WeakPolarHBondContact O-CB 3.36Å; C99-I104 PolarHBondContact O-N 3.49Å; C99-I104 VanDerWaalsContact O-N 3.09Å; C99-F106 HydrophobicContact CB-CE2 3.75Å; C99-F106 HydrophobicContact CB-CZ 3.82Å
100E98.3Very high96.1Very high103 Ų10363 Ų6348%0.48132%0.32SS..Hα-helixtrans-60.6-43176.4-69.2176150.900111.6V96 I97 M102 D103 F106V96-E100 HydrophobicContact CG1-CG 4.28Å; V96-E100 WeakPolarHBondContact O-CG 3.3Å; V96-E100 PolarHBondContact O-N 3.35Å; I97-E100 PolarHBondContact O-N 3.17Å; E100-M102 PolarHBondContact O-N 3.35Å; E100-D103 PolarHBondContact O-N 3.35Å; E100-F106 HydrophobicContact CG-CD2 3.99Å; E100-F106 HydrophobicContact CG-CE2 3.75Å
101K98.5Very high94.8Very high169 Ų16963 Ų6374%0.73533%0.328SS*.THydrogen-bonded Turntrans-70.6-8.3176.7-67.3-63.9-179.2-1720114.2I97 C99I97-K101 HydrophobicContact CG2-CG 4.15Å; I97-K101 WeakPolarHBondContact O-CB 3.4Å; I97-K101 WeakPolarHBondContact O-CG 3.46Å; I97-K101 PolarHBondContact O-N 3.39Å; C99-K101 VanDerWaalsContact C-N 3.34Å; C99-K101 PolarHBondContact O-N 2.9Å
102M97.8Very high93.4Very high66 Ų6666.2 Ų66.233%0.32535%0.345SS..THydrogen-bonded Turntrans-102.314.4171-69.3-64.3-71.100112.2R70 K73 M74 Q98 C99 E100 I104R70-M102 HydrophobicContact CG-CG 4.36Å; K73-M102 WeakPolarHBondContact CE-O 3.3Å; K73-M102 HydrophobicContact CG-CE 4.46Å; K73-M102 PolarHBondContact NZ-O 3.47Å; M74-M102 HydrophobicContact CG-CE 3.64Å; M74-M102 HydrophobicContact SD-CE 4.36Å; Q98-M102 VanDerWaalsContact O-CG 3.24Å; Q98-M102 WeakPolarHBondContact O-CG 3.35Å; Q98-M102 PolarHBondContact O-N 2.86Å; C99-M102 CarbonylContact O-C 3.55Å; C99-M102 PolarHBondContact O-N 3.49Å; C99-M102 VanDerWaalsContact O-N 3.09Å; E100-M102 PolarHBondContact O-N 3.35Å; M102-I104 VanDerWaalsContact C-N 3.26Å; M102-I104 HydrophobicContact CB-CD1 4.24Å; M102-I104 HydrophobicContact CB-CG1 4.16Å; M102-I104 PolarHBondContact O-N 2.96Å
103D97.9Very high91.3Very high131 Ų13175.3 Ų75.370%0.70139%0.388SS*.THydrogen-bonded Turntrans53.343.5-178.1-55.6-51000112.1K73 C99 E100K73-D103 PolarHBondContact NZ-O 3.44Å; C99-D103 PolarHBondContact O-N 3.22Å; E100-D103 PolarHBondContact O-N 3.35Å
104I98.2Very high89.3Confident4 Ų477 Ų772%0.02141%0.406CS..PPolyproline II helixtrans-95116.2172.4-57.2178.2000107.8A69 K73 P79 I81 C99 M102A69-I104 HydrophobicContact CB-CD1 4.47Å; K73-I104 HydrophobicContact CB-CD1 3.82Å; K73-I104 HydrophobicContact CB-CG1 4.15Å; K73-I104 HydrophobicContact CD-CG1 4.16Å; K73-I104 HydrophobicContact CG-CD1 4.25Å; K73-I104 HydrophobicContact CG-CG1 4.09Å; P79-I104 HydrophobicContact CB-CG2 4.24Å; P79-I104 HydrophobicContact CG-CD1 3.96Å; P79-I104 HydrophobicContact CG-CG1 4.1Å; P79-I104 HydrophobicContact CG-CG2 4.05Å; I81-I104 HydrophobicContact CD1-CB 4.43Å; I81-I104 HydrophobicContact CD1-CG2 3.55Å; I81-I104 HydrophobicContact CG1-CG2 3.86Å; C99-I104 HydrophobicContact CB-CB 4.25Å; C99-I104 HydrophobicContact CB-CD1 4.23Å; C99-I104 WeakPolarHBondContact O-CB 3.36Å; C99-I104 PolarHBondContact O-N 3.49Å; C99-I104 VanDerWaalsContact O-N 3.09Å; M102-I104 VanDerWaalsContact C-N 3.26Å; M102-I104 HydrophobicContact CB-CD1 4.24Å; M102-I104 HydrophobicContact CB-CG1 4.16Å; M102-I104 PolarHBondContact O-N 2.96Å
105P96.2Very high87.9Confident61 Ų6177 Ų7740%0.39640%0.403SS..PPolyproline II helixtrans-70.8137.1-177.728.1-34.8000111.7P79 S80 I81P79-P105 WeakPolarHBondContact O-CD 3.19Å; S80-P105 CarbonylContact C-O 3.34Å; S80-P105 WeakPolarHBondContact CA-O 3.14Å; I81-P105 PolarHBondContact N-O 2.82Å
106F96.6Very high87Confident55 Ų5579.8 Ų79.824%0.24142%0.418CS..BIsolated β-bridgetrans-96.5129.2168.2-76.2-100.9000110L66 I81 Y83 V96 C99 E100 P108L66-F106 HydrophobicContact CD2-CE1 4.05Å; L66-F106 HydrophobicContact CD2-CZ 4.04Å; I81-F106 HydrophobicContact CB-CD1 3.88Å; I81-F106 HydrophobicContact CB-CE1 3.85Å; I81-F106 HydrophobicContact CB-CG 4.35Å; I81-F106 HydrophobicContact CB-CZ 4.29Å; I81-F106 HydrophobicContact CD1-CE1 3.99Å; I81-F106 HydrophobicContact CD1-CE2 4Å; I81-F106 HydrophobicContact CD1-CZ 3.59Å; I81-F106 HydrophobicContact CG2-CD1 3.71Å; I81-F106 HydrophobicContact CG2-CE1 3.47Å; I81-F106 VanDerWaalsContact CG2-CE1 3.47Å; I81-F106 HydrophobicContact CG2-CZ 4.24Å; I81-F106 CarbonylContact O-C 3.54Å; I81-F106 VanDerWaalsContact O-CA 3.27Å; I81-F106 WeakPolarHBondContact O-CA 3.48Å; Y83-F106 HydrophobicContact CD1-CE1 4.47Å; V96-F106 HydrophobicContact CB-CZ 4.24Å; V96-F106 HydrophobicContact CG1-CE1 4.26Å; V96-F106 HydrophobicContact CG1-CE2 4.24Å; V96-F106 HydrophobicContact CG1-CZ 3.87Å; V96-F106 HydrophobicContact CG2-CE1 4.1Å; V96-F106 HydrophobicContact CG2-CZ 4.07Å; C99-F106 HydrophobicContact CB-CE2 3.75Å; C99-F106 HydrophobicContact CB-CZ 3.82Å; E100-F106 HydrophobicContact CG-CD2 3.99Å; E100-F106 HydrophobicContact CG-CE2 3.75Å; F106-P108 WeakPolarHBondContact O-CD 3.29Å
107L93.8Very high86.4Confident38 Ų3880 Ų8020%0.19942%0.418CS..  trans-108.696.3-179.1-57.1-176.1000108.8L53 I81 H82 D109 L110 F115 Y121L53-L107 HydrophobicContact CD1-CD1 4.01Å; I81-L107 PolarHBondContact O-N 3.4Å; H82-L107 PolarHBondContact ND1-O 2.89Å; L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.3Å; L107-L110 HydrophobicContact CB-CD2 4.07Å; L107-L110 HydrophobicContact CD1-CD2 4.21Å; L107-F115 HydrophobicContact CD1-CE1 3.94Å; L107-F115 HydrophobicContact CD1-CZ 3.71Å; L107-Y121 WeakPolarHBondContact CD1-OH 3.41Å
108P88.2Confident85.7Confident111 Ų11178.9 Ų78.972%0.72142%0.418SS*.SBendtrans-71.1-28.3-175.827.9-34.8000112.8H82 F106H82-P108 PolarHBondContact CE1-O 3.24Å; F106-P108 WeakPolarHBondContact O-CD 3.29Å
109D83.5Confident85.1Confident90 Ų9082.2 Ų82.248%0.48143%0.433SS..  trans-130.5129.8-178.5-176.816.2000110.4L107 T111L107-D109 VanDerWaalsContact C-N 3.31Å; L107-D109 PolarHBondContact O-N 3.3Å; D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 WeakPolarHBondContact OD1-CB 3.43Å; D109-T111 PolarHBondContact OD1-N 2.83Å; D109-T111 PolarHBondContact OD1-OG1 2.81Å; D109-T111 PolarHBondContact OD2-OG1 2.57Å; D109-T111 VanDerWaalsContact OD2-OG1 3.12Å
110L85Confident84.7Confident18 Ų1883.9 Ų83.99%0.09445%0.445CS..SBendtrans-106.5-2.3177.1-59.9177.7000112.4L53 F55 H82 L107 N112 F115 L117 I147L53-L110 HydrophobicContact CD2-CD1 4.43Å; L53-L110 HydrophobicContact CD2-CD2 4.21Å; F55-L110 HydrophobicContact CD1-CD1 4.26Å; F55-L110 HydrophobicContact CE1-CD1 3.47Å; F55-L110 VanDerWaalsContact CE1-CD1 3.47Å; F55-L110 HydrophobicContact CZ-CD1 4.36Å; H82-L110 HydrophobicContact CB-CD1 4.02Å; H82-L110 HydrophobicContact CB-CD2 4.41Å; H82-L110 HydrophobicContact CB-CG 4.43Å; L107-L110 HydrophobicContact CB-CD2 4.07Å; L107-L110 HydrophobicContact CD1-CD2 4.21Å; L110-N112 VanDerWaalsContact C-N 3.33Å; L110-F115 HydrophobicContact CD2-CE1 4.26Å; L110-L117 HydrophobicContact CD2-CD2 4.5Å; L110-I147 HydrophobicContact CD1-CD1 4.45Å
111T71.6Confident84.5Confident112 Ų11279.4 Ų79.469%0.68742%0.424SS*.  trans-84.5-5.4-176.566.50000113.8D109 E113D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 WeakPolarHBondContact OD1-CB 3.43Å; D109-T111 PolarHBondContact OD1-N 2.83Å; D109-T111 PolarHBondContact OD1-OG1 2.81Å; D109-T111 PolarHBondContact OD2-OG1 2.57Å; D109-T111 VanDerWaalsContact OD2-OG1 3.12Å; T111-E113 PolarHBondContact O-N 2.71Å
112N68Low84.4Confident92 Ų9272 Ų7249%0.49239%0.392SS..  trans-60112.5176.3-172.4-18.9000109.9L110 T114 F115L110-N112 VanDerWaalsContact C-N 3.33Å; N112-T114 PolarHBondContact O-N 2.71Å; N112-T114 PolarHBondContact OD1-N 2.85Å; N112-T114 PolarHBondContact OD1-OG1 3.32Å; N112-F115 VanDerWaalsContact O-CB 3.31Å; N112-F115 WeakPolarHBondContact O-CB 3.25Å; N112-F115 PolarHBondContact O-N 3.1Å
113E52.7Low84.4Confident196 Ų19668.9 Ų68.992%0.91638%0.377SS*.THydrogen-bonded Turntrans-57.2-19.7-173.8-63.4-175.9165.800114T111 F115T111-E113 PolarHBondContact O-N 2.71Å; E113-F115 VanDerWaalsContact C-N 3.27Å; E113-F115 PolarHBondContact O-N 3.3Å
114T57.4Low84.4Confident124 Ų12462.6 Ų62.676%0.76134%0.343SS*.THydrogen-bonded Turntrans-74.7-15.9174.4590000113.6N112 N116N112-T114 PolarHBondContact O-N 2.71Å; N112-T114 PolarHBondContact OD1-N 2.85Å; N112-T114 PolarHBondContact OD1-OG1 3.32Å; T114-N116 PolarHBondContact O-N 2.89Å
115F68.3Low84.4Confident62 Ų6262.4 Ų62.427%0.27234%0.342SS..  trans-9385.2-173.1-161.1-117.3000111.6L107 L110 N112 E113 L117 Y121L107-F115 HydrophobicContact CD1-CE1 3.94Å; L107-F115 HydrophobicContact CD1-CZ 3.71Å; L110-F115 HydrophobicContact CD2-CE1 4.26Å; N112-F115 VanDerWaalsContact O-CB 3.31Å; N112-F115 WeakPolarHBondContact O-CB 3.25Å; N112-F115 PolarHBondContact O-N 3.1Å; E113-F115 VanDerWaalsContact C-N 3.27Å; E113-F115 PolarHBondContact O-N 3.3Å; F115-L117 HydrophobicContact CD1-CD2 3.54Å; F115-L117 HydrophobicContact CD1-CG 4.02Å; F115-L117 HydrophobicContact CE1-CD2 3.28Å; F115-L117 HydrophobicContact CE1-CG 4.25Å; F115-L117 HydrophobicContact CZ-CD2 4.4Å; F115-L117 PolarHBondContact O-N 3.38Å; F115-Y121 AromaticContact CE1-CE2 3.69Å; F115-Y121 HydrophobicContact CE1-CE2 3.69Å; F115-Y121 AromaticContact CZ-CE2 3.48Å; F115-Y121 HydrophobicContact CZ-CE2 3.48Å; F115-Y121 VanDerWaalsContact CZ-CE2 3.48Å; F115-Y121 AromaticContact CZ-CZ 3.94Å
116N80.6Confident84.5Confident67 Ų6759.5 Ų59.536%0.35832%0.323SS..  trans-74.591.4173-169.4-25.1000110.9T114 S118 Q119 S120T114-N116 PolarHBondContact O-N 2.89Å; N116-S118 PolarHBondContact O-N 3.02Å; N116-S118 VanDerWaalsContact O-N 3.16Å; N116-S118 WeakPolarHBondContact OD1-CB 3.28Å; N116-S118 PolarHBondContact OD1-N 2.82Å; N116-S118 PolarHBondContact OD1-OG 3.37Å; N116-Q119 HydrophobicContact CB-CB 4.26Å; N116-Q119 HydrophobicContact CB-CG 4.33Å; N116-Q119 PolarHBondContact O-N 3.2Å; N116-Q119 PolarHBondContact OD1-N 3.36Å; N116-S120 PolarHBondContact O-N 3.45Å; N116-S120 VanDerWaalsContact O-N 3.1Å; N116-S120 PolarHBondContact O-OG 3.33Å
117L86Confident84.6Confident25 Ų2556.9 Ų56.913%0.13131%0.312CS..Hα-helixtrans-49.2-41.7177-72.3174.2000113L53 L110 F115 Q119 S120 Y121 F124 I147 I153L53-L117 HydrophobicContact CD2-CD2 3.66Å; L110-L117 HydrophobicContact CD2-CD2 4.5Å; F115-L117 HydrophobicContact CD1-CD2 3.54Å; F115-L117 HydrophobicContact CD1-CG 4.02Å; F115-L117 HydrophobicContact CE1-CD2 3.28Å; F115-L117 HydrophobicContact CE1-CG 4.25Å; F115-L117 HydrophobicContact CZ-CD2 4.4Å; F115-L117 PolarHBondContact O-N 3.38Å; L117-Q119 VanDerWaalsContact C-N 3.25Å; L117-Q119 PolarHBondContact O-N 3.33Å; L117-S120 PolarHBondContact O-N 2.88Å; L117-Y121 HydrophobicContact CD2-CD2 3.93Å; L117-Y121 HydrophobicContact CD2-CE2 3.89Å; L117-Y121 PolarHBondContact O-N 3.33Å; L117-Y121 VanDerWaalsContact O-N 3.12Å; L117-F124 HydrophobicContact CB-CZ 4.07Å; L117-F124 HydrophobicContact CD1-CZ 4.29Å; L117-F124 HydrophobicContact CD2-CZ 4.43Å; L117-I147 HydrophobicContact CD1-CG2 3.57Å; L117-I153 WeakPolarHBondContact O-CD1 3.44Å
118S83.9Confident84.8Confident60 Ų6055.2 Ų55.242%0.4230%0.303SS..Hα-helixtrans-65.2-26.5-178.2780000113.3K47 N116K47-S118 VanDerWaalsContact CE-O 3.23Å; K47-S118 WeakPolarHBondContact CE-O 3.43Å; K47-S118 PolarHBondContact NZ-O 3.46Å; N116-S118 PolarHBondContact O-N 3.02Å; N116-S118 VanDerWaalsContact O-N 3.16Å; N116-S118 WeakPolarHBondContact OD1-CB 3.28Å; N116-S118 PolarHBondContact OD1-N 2.82Å; N116-S118 PolarHBondContact OD1-OG 3.37Å
119Q85.8Confident85.2Confident141 Ų14151 Ų5166%0.65927%0.273SS*.Hα-helixtrans-90-27175.8-68-179.8-6.700112.1N116 L117N116-Q119 HydrophobicContact CB-CB 4.26Å; N116-Q119 HydrophobicContact CB-CG 4.33Å; N116-Q119 PolarHBondContact O-N 3.2Å; N116-Q119 PolarHBondContact OD1-N 3.36Å; L117-Q119 VanDerWaalsContact C-N 3.25Å; L117-Q119 PolarHBondContact O-N 3.33Å
120S89.7Confident85.7Confident36 Ų3647.2 Ų47.225%0.25226%0.256SS..Hα-helixtrans-84.9-31.1-173.6-620000114.8S51 N116 L117S51-S120 WeakPolarHBondContact CB-O 3.41Å; N116-S120 PolarHBondContact O-N 3.45Å; N116-S120 VanDerWaalsContact O-N 3.1Å; N116-S120 PolarHBondContact O-OG 3.33Å; L117-S120 PolarHBondContact O-N 2.88Å
121Y94.7Very high86.2Confident10 Ų1047.8 Ų47.84%0.03926%0.258CS..  trans-124.3135.7-169.2-66.4-73.9000114.1K47 V52 L53 S80 L107 F115 L117 F124 I153K47-Y121 WeakPolarHBondContact CD-O 3.45Å; K47-Y121 PolarHBondContact NZ-O 2.69Å; V52-Y121 WeakPolarHBondContact O-CE1 3.35Å; L53-Y121 HydrophobicContact CB-CD1 3.72Å; L53-Y121 HydrophobicContact CB-CD2 3.98Å; L53-Y121 HydrophobicContact CB-CE1 3.76Å; L53-Y121 HydrophobicContact CB-CE2 4Å; L53-Y121 HydrophobicContact CB-CG 3.84Å; L53-Y121 HydrophobicContact CD2-CD2 4.22Å; L53-Y121 HydrophobicContact CD2-CE2 3.96Å; L53-Y121 HydrophobicContact CG-CE2 4.39Å; S80-Y121 WeakPolarHBondContact CB-OH 3.36Å; S80-Y121 PolarHBondContact OG-OH 3.48Å; L107-Y121 WeakPolarHBondContact CD1-OH 3.41Å; F115-Y121 AromaticContact CE1-CE2 3.69Å; F115-Y121 HydrophobicContact CE1-CE2 3.69Å; F115-Y121 AromaticContact CZ-CE2 3.48Å; F115-Y121 HydrophobicContact CZ-CE2 3.48Å; F115-Y121 VanDerWaalsContact CZ-CE2 3.48Å; F115-Y121 AromaticContact CZ-CZ 3.94Å; L117-Y121 HydrophobicContact CD2-CD2 3.93Å; L117-Y121 HydrophobicContact CD2-CE2 3.89Å; L117-Y121 PolarHBondContact O-N 3.33Å; L117-Y121 VanDerWaalsContact O-N 3.12Å; Y121-F124 HydrophobicContact CD2-CE1 4.16Å; Y121-F124 HydrophobicContact CG-CE1 4.22Å; Y121-I153 WeakPolarHBondContact O-CD1 3.39Å
122D96.3Very high87.2Confident12 Ų1244.9 Ų44.96%0.06425%0.25CC..SBendtrans-80.4-34.2171.8-72.1-65.9000111.9L45 T46 K47 S51 I153 P154L45-D122 HydrophobicContact CB-CB 4.26Å; L45-D122 HydrophobicContact CD1-CB 4.18Å; L45-D122 HydrophobicContact CD2-CB 4Å; L45-D122 HydrophobicContact CG-CB 4.37Å; T46-D122 PolarHBondContact N-OD1 3.21Å; K47-D122 WeakPolarHBondContact CA-OD2 3.47Å; K47-D122 WeakPolarHBondContact CB-OD1 3.2Å; K47-D122 WeakPolarHBondContact CB-OD2 3.16Å; K47-D122 PolarHBondContact N-OD1 3.16Å; K47-D122 PolarHBondContact N-OD2 3.46Å; S51-D122 PolarHBondContact N-OD2 2.66Å; S51-D122 PolarHBondContact O-N 2.82Å; D122-I153 WeakPolarHBondContact O-CG2 3.22Å; D122-P154 WeakPolarHBondContact O-CD 3.49Å
123L97.8Very high88.2Confident1 Ų142.1 Ų42.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-139.5145.5-172.8-54.3174.6000111.3I36 Y40 L45 S51 V52 L53 P154 I156I36-L123 HydrophobicContact CG2-CD1 4.12Å; Y40-L123 HydrophobicContact CD1-CD1 4.47Å; Y40-L123 HydrophobicContact CD1-CD2 3.46Å; Y40-L123 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L123 HydrophobicContact CD2-CD1 4.2Å; Y40-L123 HydrophobicContact CD2-CD2 4.3Å; Y40-L123 HydrophobicContact CE1-CD2 3.78Å; Y40-L123 HydrophobicContact CG-CD1 3.9Å; Y40-L123 HydrophobicContact CG-CD2 3.73Å; L45-L123 HydrophobicContact CD1-CD1 4.03Å; L45-L123 HydrophobicContact CD1-CG 4.41Å; L45-L123 HydrophobicContact CD2-CD2 4.39Å; L45-L123 HydrophobicContact CD2-CG 4.42Å; S51-L123 PolarHBondContact O-N 2.99Å; V52-L123 WeakPolarHBondContact CA-O 3.42Å; V52-L123 HydrophobicContact CG1-CB 4.21Å; V52-L123 HydrophobicContact CG2-CB 4.16Å; V52-L123 HydrophobicContact CG2-CD1 4.1Å; V52-L123 HydrophobicContact CG2-CG 4.49Å; L53-L123 PolarHBondContact N-O 2.98Å; L123-P154 HydrophobicContact CD2-CB 4.06Å; L123-P154 HydrophobicContact CD2-CG 4.38Å; L123-I156 HydrophobicContact CB-CD1 3.81Å; L123-I156 HydrophobicContact CD1-CD1 4.29Å; L123-I156 HydrophobicContact CD2-CD1 4.08Å; L123-I156 HydrophobicContact CG-CD1 4.28Å
124F98Very high89.4Confident0 Ų039.5 Ų39.50%022%0.219CC..EExtended strand (participates in β ladder)trans-110.7133166.9-74.5-11.5000109.9L53 F55 L117 Y121 I147 M148 I153 P154 V155 I156L53-F124 HydrophobicContact CB-CD1 3.81Å; L53-F124 HydrophobicContact CB-CE1 3.94Å; L53-F124 HydrophobicContact CD2-CD1 4.47Å; L53-F124 HydrophobicContact CD2-CE1 3.96Å; L53-F124 CarbonylContact O-C 3.49Å; L53-F124 WeakPolarHBondContact O-CA 3.36Å; F55-F124 HydrophobicContact CE2-CB 3.93Å; F55-F124 AromaticContact CE2-CD1 3.91Å; F55-F124 HydrophobicContact CE2-CD1 3.91Å; F55-F124 AromaticContact CE2-CD2 4Å; F55-F124 HydrophobicContact CE2-CD2 4Å; F55-F124 HydrophobicContact CE2-CE1 4.34Å; F55-F124 HydrophobicContact CE2-CE2 4.43Å; F55-F124 AromaticContact CE2-CG 3.7Å; F55-F124 HydrophobicContact CE2-CG 3.7Å; F55-F124 HydrophobicContact CZ-CD1 4.4Å; F55-F124 HydrophobicContact CZ-CD2 4.4Å; F55-F124 HydrophobicContact CZ-CE1 4.38Å; F55-F124 HydrophobicContact CZ-CE2 4.39Å; F55-F124 HydrophobicContact CZ-CG 4.39Å; F55-F124 HydrophobicContact CZ-CZ 4.37Å; L117-F124 HydrophobicContact CB-CZ 4.07Å; L117-F124 HydrophobicContact CD1-CZ 4.29Å; L117-F124 HydrophobicContact CD2-CZ 4.43Å; Y121-F124 HydrophobicContact CD2-CE1 4.16Å; Y121-F124 HydrophobicContact CG-CE1 4.22Å; F124-I147 HydrophobicContact CE2-CG2 4.03Å; F124-I147 HydrophobicContact CZ-CG2 4.38Å; F124-M148 HydrophobicContact CD2-CG 4.1Å; F124-I153 HydrophobicContact CB-CG2 4.31Å; F124-I153 HydrophobicContact CD1-CD1 4.18Å; F124-I153 HydrophobicContact CD1-CG2 3.91Å; F124-I153 HydrophobicContact CD2-CB 4.17Å; F124-I153 HydrophobicContact CD2-CG2 4.23Å; F124-I153 HydrophobicContact CE1-CD1 3.54Å; F124-I153 HydrophobicContact CE1-CG2 4.36Å; F124-I153 HydrophobicContact CE2-CB 4.28Å; F124-I153 HydrophobicContact CE2-CD1 3.97Å; F124-I153 HydrophobicContact CG-CB 4.31Å; F124-I153 HydrophobicContact CG-CG2 3.86Å; F124-I153 HydrophobicContact CZ-CD1 3.42Å; F124-I153 VanDerWaalsContact CZ-CD1 3.42Å; F124-P154 PolarHBondContact N-O 3.05Å; F124-V155 HydrophobicContact CB-CG2 4.16Å; F124-V155 HydrophobicContact CD2-CG2 4.4Å; F124-V155 CarbonylContact O-C 3.56Å; F124-V155 WeakPolarHBondContact O-CA 3.3Å; F124-I156 VanDerWaalsContact O-CD1 3.28Å; F124-I156 WeakPolarHBondContact O-CD1 3.47Å; F124-I156 PolarHBondContact O-N 3.04Å
125I98.8Very high90.3Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-109.1115.5173.3-60.4176.9000108.4I36 V52 L53 V54 F55 L72 A127 I156 I158I36-I125 HydrophobicContact CD1-CD1 3.46Å; I36-I125 VanDerWaalsContact CD1-CD1 3.46Å; I36-I125 HydrophobicContact CD1-CG1 4.05Å; V52-I125 HydrophobicContact CG1-CD1 3.49Å; V52-I125 VanDerWaalsContact CG1-CD1 3.49Å; V52-I125 HydrophobicContact CG1-CG1 3.68Å; L53-I125 PolarHBondContact O-N 2.69Å; V54-I125 HydrophobicContact CB-CB 4.37Å; V54-I125 HydrophobicContact CG1-CB 4.08Å; V54-I125 HydrophobicContact CG1-CG2 4.06Å; V54-I125 HydrophobicContact CG2-CB 4.2Å; V54-I125 HydrophobicContact CG2-CD1 3.95Å; V54-I125 HydrophobicContact CG2-CG1 4.46Å; F55-I125 PolarHBondContact N-O 3.36Å; L72-I125 HydrophobicContact CD1-CD1 3.43Å; L72-I125 VanDerWaalsContact CD1-CD1 3.43Å; I125-A127 PolarHBondContact O-N 3.22Å; I125-I156 CarbonylContact C-O 3.55Å; I125-I156 WeakPolarHBondContact CA-O 3.31Å; I125-I156 HydrophobicContact CG1-CB 4.47Å; I125-I156 HydrophobicContact CG1-CD1 4.48Å; I125-I158 HydrophobicContact CG2-CD1 3.71Å; I125-I158 HydrophobicContact CG2-CG1 4.01Å
126D98.6Very high91.1Very high0 Ų039.4 Ų39.40%023%0.227CC..EExtended strand (participates in β ladder)trans-84.5106.5171.5166.934000109.8L128 M148 V155 I156 S157 I158 S162 L177D126-L128 PolarHBondContact OD1-N 2.83Å; D126-M148 HydrophobicContact CB-CE 3.96Å; D126-M148 HydrophobicContact CB-SD 3.81Å; D126-V155 HydrophobicContact CB-CG1 4.12Å; D126-I156 PolarHBondContact N-O 3.02Å; D126-S157 PolarHBondContact OD2-OG 3.22Å; D126-I158 PolarHBondContact O-N 3.32Å; D126-S162 VanDerWaalsContact CG-OG 3.25Å; D126-S162 WeakPolarHBondContact OD1-CB 3.4Å; D126-S162 PolarHBondContact OD1-OG 2.66Å; D126-S162 WeakPolarHBondContact OD2-CB 3.38Å; D126-S162 PolarHBondContact OD2-N 2.9Å; D126-S162 PolarHBondContact OD2-OG 3.21Å; D126-L177 HydrophobicContact CB-CD2 4.14Å; D126-L177 WeakPolarHBondContact OD2-CD2 3.27Å
127A98.6Very high91.4Very high0 Ų037.3 Ų37.30%022%0.216CC..EExtended strand (participates in β ladder)trans-125.729.1175.400000110.7V54 F55 G57 N61 G62 I125 I158V54-A127 HydrophobicContact CG1-CB 4.47Å; F55-A127 CarbonylContact O-C 3.54Å; F55-A127 VanDerWaalsContact O-CA 3.28Å; F55-A127 WeakPolarHBondContact O-CA 3.14Å; F55-A127 WeakPolarHBondContact O-CB 3.42Å; F55-A127 PolarHBondContact O-N 3.09Å; G57-A127 PolarHBondContact N-O 3.36Å; N61-A127 CarbonylContact C-O 3.52Å; N61-A127 WeakPolarHBondContact O-CB 3.08Å; G62-A127 VanDerWaalsContact CA-O 3.22Å; G62-A127 WeakPolarHBondContact CA-O 3.47Å; G62-A127 PolarHBondContact N-O 2.66Å; G62-A127 VanDerWaalsContact N-O 3.15Å; I125-A127 PolarHBondContact O-N 3.22Å; A127-I158 HydrophobicContact CB-CD1 4.19Å
128L97Very high91.6Very high3 Ų343.2 Ų43.22%0.01624%0.237CC..SBendtrans-75.1-54.9-177.6-58.5174.9000111F55 G57 D126 F141 I144 L145 M148 S162F55-L128 HydrophobicContact CB-CD2 3.92Å; F55-L128 HydrophobicContact CB-CG 4.18Å; F55-L128 PolarHBondContact O-N 3.12Å; G57-L128 WeakPolarHBondContact CA-O 3.37Å; D126-L128 PolarHBondContact OD1-N 2.83Å; L128-F141 HydrophobicContact CD1-CD1 4.36Å; L128-F141 HydrophobicContact CD2-CD1 3.86Å; L128-F141 HydrophobicContact CD2-CE1 4.1Å; L128-I144 HydrophobicContact CD1-CB 4.28Å; L128-I144 HydrophobicContact CD1-CG2 3.81Å; L128-I144 HydrophobicContact CD2-CD1 4.48Å; L128-L145 HydrophobicContact CD1-CD2 4.2Å; L128-L145 HydrophobicContact CD1-CG 4.49Å; L128-M148 HydrophobicContact CD1-CE 3.96Å; L128-S162 WeakPolarHBondContact CB-OG 3.39Å
129F96Very high91.7Very high22 Ų2246.9 Ų46.910%0.09625%0.251CS..  trans-138.7113-167.1-58.9-49.2000111.5N61 F133 V137 F141 V160 S162N61-F129 VanDerWaalsContact ND2-C 3.29Å; N61-F129 PolarHBondContact ND2-N 3.39Å; F129-F133 HydrophobicContact CB-CB 3.71Å; F129-F133 HydrophobicContact CB-CD1 4.25Å; F129-F133 HydrophobicContact CB-CD2 4.06Å; F129-F133 HydrophobicContact CB-CG 3.74Å; F129-F133 HydrophobicContact CD1-CB 4.46Å; F129-F133 AromaticContact CD1-CD2 3.49Å; F129-F133 HydrophobicContact CD1-CD2 3.49Å; F129-F133 VanDerWaalsContact CD1-CD2 3.49Å; F129-F133 AromaticContact CD1-CE2 3.97Å; F129-F133 HydrophobicContact CD1-CE2 3.97Å; F129-F133 HydrophobicContact CD1-CG 4.09Å; F129-F133 HydrophobicContact CD2-CD2 4.23Å; F129-F133 HydrophobicContact CD2-CE2 4.22Å; F129-F133 HydrophobicContact CD2-CG 4.46Å; F129-F133 HydrophobicContact CD2-CZ 4.44Å; F129-F133 AromaticContact CE1-CD2 3.98Å; F129-F133 HydrophobicContact CE1-CD2 3.98Å; F129-F133 HydrophobicContact CE1-CE2 4.04Å; F129-F133 HydrophobicContact CE2-CE2 4.29Å; F129-F133 HydrophobicContact CG-CB 4.27Å; F129-F133 HydrophobicContact CG-CD1 4.4Å; F129-F133 AromaticContact CG-CD2 3.64Å; F129-F133 HydrophobicContact CG-CD2 3.64Å; F129-F133 HydrophobicContact CG-CE2 4.08Å; F129-F133 AromaticContact CG-CG 3.84Å; F129-F133 HydrophobicContact CG-CG 3.84Å; F129-F133 HydrophobicContact CZ-CE2 4.2Å; F129-V137 HydrophobicContact CE2-CG1 3.95Å; F129-V137 HydrophobicContact CE2-CG2 4.29Å; F129-V137 HydrophobicContact CZ-CG1 4.43Å; F129-F141 HydrophobicContact CE1-CD2 4.41Å; F129-F141 HydrophobicContact CE2-CB 3.98Å; F129-F141 HydrophobicContact CE2-CG 4.16Å; F129-F141 HydrophobicContact CZ-CB 3.86Å; F129-F141 HydrophobicContact CZ-CD1 4.01Å; F129-F141 AromaticContact CZ-CD2 3.64Å; F129-F141 HydrophobicContact CZ-CD2 3.64Å; F129-F141 HydrophobicContact CZ-CE1 4.48Å; F129-F141 HydrophobicContact CZ-CE2 4.16Å; F129-F141 AromaticContact CZ-CG 3.56Å; F129-F141 HydrophobicContact CZ-CG 3.56Å; F129-V160 VanDerWaalsContact O-O 3.1Å; F129-S162 PolarHBondContact N-OG 3.15Å
130G95.4Very high91.8Very high11 Ų1143.4 Ų43.411%0.11324%0.235CC..  trans-89-163.4171.500000112.2N61 G132 F133 D159N61-G130 PolarHBondContact ND2-N 3.04Å; G130-G132 PolarHBondContact O-N 3.47Å; G130-F133 VanDerWaalsContact O-CB 3.32Å; G130-F133 WeakPolarHBondContact O-CB 3.16Å; G130-F133 PolarHBondContact O-N 3.45Å; G130-D159 VanDerWaalsContact CA-OD2 3.26Å; G130-D159 WeakPolarHBondContact CA-OD2 3.49Å
131F95.7Very high91.9Very high30 Ų3041.8 Ų41.813%0.13222%0.223CC..THydrogen-bonded Turntrans-59-23.3-176.880.7-92000113.7Q3 A6 Q7 D10 F133 D159 V160 V166 K189Q3-F131 WeakPolarHBondContact CG-O 3.06Å; Q3-F131 PolarHBondContact NE2-O 2.88Å; A6-F131 HydrophobicContact CB-CD2 3.43Å; A6-F131 VanDerWaalsContact CB-CD2 3.43Å; A6-F131 HydrophobicContact CB-CE2 3.69Å; A6-F131 HydrophobicContact CB-CG 3.92Å; A6-F131 HydrophobicContact CB-CZ 4.34Å; Q7-F131 HydrophobicContact CB-CE2 4.42Å; Q7-F131 HydrophobicContact CG-CD2 4.33Å; Q7-F131 HydrophobicContact CG-CE2 3.69Å; D10-F131 HydrophobicContact CB-CZ 4.3Å; D10-F131 WeakPolarHBondContact OD2-CE1 3.39Å; D10-F131 WeakPolarHBondContact OD2-CZ 3.48Å; F131-F133 PolarHBondContact O-N 2.91Å; F131-D159 VanDerWaalsContact CD1-OD2 3.31Å; F131-D159 WeakPolarHBondContact CD1-OD2 3.43Å; F131-D159 PolarHBondContact N-OD2 3.29Å; F131-V160 HydrophobicContact CB-CG2 4.16Å; F131-V166 HydrophobicContact CB-CG1 4.29Å; F131-K189 HydrophobicContact CB-CD 4.05Å; F131-K189 HydrophobicContact CB-CG 3.97Å
132G92.2Very high91.7Very high50 Ų5046.9 Ų46.952%0.51525%0.246SC..THydrogen-bonded Turntrans-74.4-8.4177.600000114.5G130G130-G132 PolarHBondContact O-N 3.47Å
133F88.1Confident91.4Very high35 Ų3549.6 Ų49.615%0.15427%0.266CS..  trans-69140.2-178.6176.3-108000112.5Q3 F129 G130 F131 P135 V137Q3-F133 PolarHBondContact NE2-O 2.74Å; F129-F133 HydrophobicContact CB-CB 3.71Å; F129-F133 HydrophobicContact CB-CD1 4.25Å; F129-F133 HydrophobicContact CB-CD2 4.06Å; F129-F133 HydrophobicContact CB-CG 3.74Å; F129-F133 HydrophobicContact CD1-CB 4.46Å; F129-F133 AromaticContact CD1-CD2 3.49Å; F129-F133 HydrophobicContact CD1-CD2 3.49Å; F129-F133 VanDerWaalsContact CD1-CD2 3.49Å; F129-F133 AromaticContact CD1-CE2 3.97Å; F129-F133 HydrophobicContact CD1-CE2 3.97Å; F129-F133 HydrophobicContact CD1-CG 4.09Å; F129-F133 HydrophobicContact CD2-CD2 4.23Å; F129-F133 HydrophobicContact CD2-CE2 4.22Å; F129-F133 HydrophobicContact CD2-CG 4.46Å; F129-F133 HydrophobicContact CD2-CZ 4.44Å; F129-F133 AromaticContact CE1-CD2 3.98Å; F129-F133 HydrophobicContact CE1-CD2 3.98Å; F129-F133 HydrophobicContact CE1-CE2 4.04Å; F129-F133 HydrophobicContact CE2-CE2 4.29Å; F129-F133 HydrophobicContact CG-CB 4.27Å; F129-F133 HydrophobicContact CG-CD1 4.4Å; F129-F133 AromaticContact CG-CD2 3.64Å; F129-F133 HydrophobicContact CG-CD2 3.64Å; F129-F133 HydrophobicContact CG-CE2 4.08Å; F129-F133 AromaticContact CG-CG 3.84Å; F129-F133 HydrophobicContact CG-CG 3.84Å; F129-F133 HydrophobicContact CZ-CE2 4.2Å; G130-F133 VanDerWaalsContact O-CB 3.32Å; G130-F133 WeakPolarHBondContact O-CB 3.16Å; G130-F133 PolarHBondContact O-N 3.45Å; F131-F133 PolarHBondContact O-N 2.91Å; F133-P135 HydrophobicContact CE1-CB 4.48Å; F133-P135 HydrophobicContact CE1-CG 4.08Å; F133-V137 HydrophobicContact CE1-CG2 3.95Å; F133-V137 HydrophobicContact CZ-CB 4.32Å; F133-V137 HydrophobicContact CZ-CG2 3.54Å
134K79.2Confident91.2Very high141 Ų14149.7 Ų49.761%0.61327%0.266SS*.  trans-124.4123.6172.5-66.4-175.6179.7-178.10108.4
135P76.5Confident91Very high71 Ų7150.8 Ų50.846%0.46127%0.272SS..SBendtrans-54.6157174.3-26.734.8000113F133F133-P135 HydrophobicContact CE1-CB 4.48Å; F133-P135 HydrophobicContact CE1-CG 4.08Å
136P84.9Confident90.7Very high113 Ų11355.8 Ų55.873%0.73430%0.295SS*.PPolyproline II helixcis-87.8157.75.134.3-35.4000114.2R138P136-R138 PolarHBondContact O-N 2.8Å
137V86.7Confident90.4Very high23 Ų2358 Ų5814%0.13931%0.307CS..PPolyproline II helixtrans-67.4129170.1179.80000109.3F129 F133 F141 K142 L145F129-V137 HydrophobicContact CE2-CG1 3.95Å; F129-V137 HydrophobicContact CE2-CG2 4.29Å; F129-V137 HydrophobicContact CZ-CG1 4.43Å; F133-V137 HydrophobicContact CE1-CG2 3.95Å; F133-V137 HydrophobicContact CZ-CB 4.32Å; F133-V137 HydrophobicContact CZ-CG2 3.54Å; V137-F141 HydrophobicContact CG1-CB 3.7Å; V137-K142 HydrophobicContact CG1-CG 4.14Å; V137-K142 WeakPolarHBondContact O-CE 3.27Å; V137-L145 HydrophobicContact CB-CD1 4.44Å; V137-L145 HydrophobicContact CG1-CD1 3.87Å; V137-L145 HydrophobicContact CG2-CD1 4.03Å
138R89.2Confident90.2Very high148 Ų14858.2 Ų58.256%0.55831%0.307SS*.PPolyproline II helixtrans-71153.5177.9-54-178.4-179-159.6-4.8111.1R85 P136 E140 F141 K142R85-R138 VanDerWaalsContact NH1-NH1 3.1Å; R85-R138 VanDerWaalsContact NH2-CD 3.34Å; P136-R138 PolarHBondContact O-N 2.8Å; R138-E140 VanDerWaalsContact C-N 3.29Å; R138-E140 WeakPolarHBondContact CB-OE2 3.42Å; R138-E140 PolarHBondContact O-N 3.04Å; R138-F141 HydrophobicContact CB-CD2 4.18Å; R138-F141 PolarHBondContact O-N 3.32Å; R138-K142 PolarHBondContact O-N 3.15Å
139L87.5Confident90Very high137 Ų13760 Ų6072%0.71732%0.321SS*.Hα-helixtrans-54.3-41.6-169.9-176.362.8000113.3F141 K142L139-F141 PolarHBondContact O-N 2.78Å; L139-K142 HydrophobicContact CD1-CD 4.28Å; L139-K142 WeakPolarHBondContact O-CB 3.46Å; L139-K142 PolarHBondContact O-N 3.01Å; L139-K142 VanDerWaalsContact O-N 3.09Å
140E86.7Confident89.8Confident69 Ų6963.5 Ų63.532%0.32234%0.344SS..Hα-helixtrans-64.8-22.2-178.368.5-85.2-156.800113.9R85 R138 S143R85-E140 IonicContact CZ-OE1 3.1Å; R85-E140 IonicContact NE-OE1 2.75Å; R85-E140 PolarHBondContact NE-OE1 3.31Å; R85-E140 VanDerWaalsContact NE-OE1 3.1Å; R85-E140 IonicContact NH2-OE1 3.2Å; R85-E140 PolarHBondContact NH2-OE1 3.48Å; R138-E140 VanDerWaalsContact C-N 3.29Å; R138-E140 WeakPolarHBondContact CB-OE2 3.42Å; R138-E140 PolarHBondContact O-N 3.04Å; E140-S143 PolarHBondContact O-OG 2.96Å
141F92.1Very high89.5Confident2 Ų264.6 Ų64.61%0.00935%0.349CS..Hα-helixtrans-94.6-14.8176.4-61.3-75.8000112.5P58 P84 R85 L128 F129 V137 R138 L139 I144 L145P58-F141 HydrophobicContact CG-CZ 4.28Å; P84-F141 HydrophobicContact CG-CD1 4.13Å; P84-F141 HydrophobicContact CG-CE1 3.5Å; P84-F141 HydrophobicContact CG-CZ 4.17Å; R85-F141 HydrophobicContact CG-CZ 4.3Å; L128-F141 HydrophobicContact CD1-CD1 4.36Å; L128-F141 HydrophobicContact CD2-CD1 3.86Å; L128-F141 HydrophobicContact CD2-CE1 4.1Å; F129-F141 HydrophobicContact CE1-CD2 4.41Å; F129-F141 HydrophobicContact CE2-CB 3.98Å; F129-F141 HydrophobicContact CE2-CG 4.16Å; F129-F141 HydrophobicContact CZ-CB 3.86Å; F129-F141 HydrophobicContact CZ-CD1 4.01Å; F129-F141 AromaticContact CZ-CD2 3.64Å; F129-F141 HydrophobicContact CZ-CD2 3.64Å; F129-F141 HydrophobicContact CZ-CE1 4.48Å; F129-F141 HydrophobicContact CZ-CE2 4.16Å; F129-F141 AromaticContact CZ-CG 3.56Å; F129-F141 HydrophobicContact CZ-CG 3.56Å; V137-F141 HydrophobicContact CG1-CB 3.7Å; R138-F141 HydrophobicContact CB-CD2 4.18Å; R138-F141 PolarHBondContact O-N 3.32Å; L139-F141 PolarHBondContact O-N 2.78Å; F141-I144 HydrophobicContact CD1-CD1 4.01Å; F141-I144 PolarHBondContact O-N 3Å; F141-L145 WeakPolarHBondContact O-CG 3.39Å; F141-L145 PolarHBondContact O-N 3.23Å
142K91.1Very high89.3Confident117 Ų11772.5 Ų72.551%0.50939%0.387SS..Hα-helixtrans-65.6-41.1178.6-68.5-174.8177.3-176.40111.8V137 R138 L139 I144 L145 Q146V137-K142 HydrophobicContact CG1-CG 4.14Å; V137-K142 WeakPolarHBondContact O-CE 3.27Å; R138-K142 PolarHBondContact O-N 3.15Å; L139-K142 HydrophobicContact CD1-CD 4.28Å; L139-K142 WeakPolarHBondContact O-CB 3.46Å; L139-K142 PolarHBondContact O-N 3.01Å; L139-K142 VanDerWaalsContact O-N 3.09Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 2.73Å; K142-L145 PolarHBondContact O-N 3.13Å; K142-Q146 WeakPolarHBondContact O-CB 3.02Å; K142-Q146 PolarHBondContact O-N 2.96Å
143S90.1Very high89.5Confident69 Ų6970.4 Ų70.448%0.48336%0.364SS..Hα-helixtrans-62.8-39.4175.452.90000111.7E140 Q146 I147E140-S143 PolarHBondContact O-OG 2.96Å; S143-Q146 WeakPolarHBondContact O-CB 3.33Å; S143-Q146 PolarHBondContact O-N 3.29Å; S143-I147 VanDerWaalsContact O-CG1 3.3Å; S143-I147 WeakPolarHBondContact O-CG1 3.32Å; S143-I147 PolarHBondContact O-N 2.96Å
144I93.1Very high89.9Confident3 Ų370.6 Ų70.62%0.01537%0.369CS..Hα-helixtrans-64.9-46.2176.9-58.2169.1000110.9F55 H82 P84 L128 F141 K142 Q146 I147 M148F55-I144 HydrophobicContact CB-CG2 4.11Å; F55-I144 HydrophobicContact CD1-CG2 3.25Å; F55-I144 HydrophobicContact CE1-CG2 3.7Å; F55-I144 HydrophobicContact CG-CG2 3.81Å; H82-I144 WeakPolarHBondContact NE2-CD1 3.21Å; P84-I144 HydrophobicContact CB-CD1 4.42Å; P84-I144 HydrophobicContact CG-CD1 3.81Å; L128-I144 HydrophobicContact CD1-CB 4.28Å; L128-I144 HydrophobicContact CD1-CG2 3.81Å; L128-I144 HydrophobicContact CD2-CD1 4.48Å; F141-I144 HydrophobicContact CD1-CD1 4.01Å; F141-I144 PolarHBondContact O-N 3Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 2.73Å; I144-Q146 VanDerWaalsContact C-N 3.28Å; I144-Q146 PolarHBondContact O-N 3.14Å; I144-I147 WeakPolarHBondContact O-CB 3.42Å; I144-I147 PolarHBondContact O-N 3.39Å; I144-M148 HydrophobicContact CG2-CE 4.24Å; I144-M148 PolarHBondContact O-N 3.31Å
145L93.1Very high90.8Very high23 Ų2364.2 Ų64.212%0.1234%0.341CS..Hα-helixtrans-59.7-40.4174.7-72.1177.6000111.8L128 V137 F141 K142 M148 S149 S162L128-L145 HydrophobicContact CD1-CD2 4.2Å; L128-L145 HydrophobicContact CD1-CG 4.49Å; V137-L145 HydrophobicContact CB-CD1 4.44Å; V137-L145 HydrophobicContact CG1-CD1 3.87Å; V137-L145 HydrophobicContact CG2-CD1 4.03Å; F141-L145 WeakPolarHBondContact O-CG 3.39Å; F141-L145 PolarHBondContact O-N 3.23Å; K142-L145 PolarHBondContact O-N 3.13Å; L145-M148 HydrophobicContact CD2-CE 3.88Å; L145-M148 PolarHBondContact O-N 2.89Å; L145-S149 VanDerWaalsContact O-CB 3.27Å; L145-S149 WeakPolarHBondContact O-CB 3.36Å; L145-S149 PolarHBondContact O-N 3.44Å; L145-S149 PolarHBondContact O-OG 3.03Å; L145-S162 VanDerWaalsContact CD2-O 3.3Å; L145-S162 WeakPolarHBondContact CD2-O 3.47Å
146Q92.2Very high91.9Very high105 Ų10560.8 Ų60.849%0.49132%0.319SS..Hα-helixtrans-63-45.1176.2-172.766.814.400111.7K142 S143 I144 M148 S149 T150K142-Q146 WeakPolarHBondContact O-CB 3.02Å; K142-Q146 PolarHBondContact O-N 2.96Å; S143-Q146 WeakPolarHBondContact O-CB 3.33Å; S143-Q146 PolarHBondContact O-N 3.29Å; I144-Q146 VanDerWaalsContact C-N 3.28Å; I144-Q146 PolarHBondContact O-N 3.14Å; Q146-M148 VanDerWaalsContact C-N 3.34Å; Q146-M148 PolarHBondContact O-N 2.98Å; Q146-S149 PolarHBondContact O-N 3.25Å; Q146-T150 HydrophobicContact CG-CG2 4.4Å; Q146-T150 VanDerWaalsContact NE2-CG2 3.27Å; Q146-T150 WeakPolarHBondContact O-CB 3.36Å; Q146-T150 WeakPolarHBondContact O-CG2 3.38Å; Q146-T150 PolarHBondContact O-N 2.91Å; Q146-T150 PolarHBondContact O-OG1 3.46Å
147I92.2Very high92.5Very high47 Ų4755.4 Ų55.424%0.24128%0.284CS..Hα-helixtrans-55.6-50.6175.3-72.9164.8000110F55 L110 L117 F124 S143 I144 S151F55-I147 HydrophobicContact CZ-CG2 4.4Å; L110-I147 HydrophobicContact CD1-CD1 4.45Å; L117-I147 HydrophobicContact CD1-CG2 3.57Å; F124-I147 HydrophobicContact CE2-CG2 4.03Å; F124-I147 HydrophobicContact CZ-CG2 4.38Å; S143-I147 VanDerWaalsContact O-CG1 3.3Å; S143-I147 WeakPolarHBondContact O-CG1 3.32Å; S143-I147 PolarHBondContact O-N 2.96Å; I144-I147 WeakPolarHBondContact O-CB 3.42Å; I144-I147 PolarHBondContact O-N 3.39Å; I147-S151 WeakPolarHBondContact O-CB 3.27Å; I147-S151 PolarHBondContact O-N 3.09Å; I147-S151 VanDerWaalsContact O-N 3.17Å
148M94.3Very high93.1Very high3 Ų354.3 Ų54.32%0.01528%0.278CS..Hα-helixtrans-67.3-39.5-179-64.1-170.4-64.700112.6F55 F124 D126 L128 I144 L145 Q146 T150 V155 L177F55-M148 HydrophobicContact CB-SD 4.46Å; F55-M148 HydrophobicContact CD2-CG 4.08Å; F55-M148 HydrophobicContact CD2-SD 3.51Å; F55-M148 VanDerWaalsContact CD2-SD 3.51Å; F55-M148 HydrophobicContact CE2-CG 3.8Å; F55-M148 HydrophobicContact CE2-SD 3.87Å; F55-M148 HydrophobicContact CG-SD 4.07Å; F55-M148 HydrophobicContact CZ-CG 4.18Å; F124-M148 HydrophobicContact CD2-CG 4.1Å; D126-M148 HydrophobicContact CB-CE 3.96Å; D126-M148 HydrophobicContact CB-SD 3.81Å; L128-M148 HydrophobicContact CD1-CE 3.96Å; I144-M148 HydrophobicContact CG2-CE 4.24Å; I144-M148 PolarHBondContact O-N 3.31Å; L145-M148 HydrophobicContact CD2-CE 3.88Å; L145-M148 PolarHBondContact O-N 2.89Å; Q146-M148 VanDerWaalsContact C-N 3.34Å; Q146-M148 PolarHBondContact O-N 2.98Å; M148-T150 PolarHBondContact O-N 3.09Å; M148-V155 HydrophobicContact CB-CG2 4.14Å; M148-V155 HydrophobicContact SD-CG1 4.35Å; M148-L177 HydrophobicContact CB-CD1 3.5Å; M148-L177 HydrophobicContact CE-CD1 4.36Å; M148-L177 HydrophobicContact CE-CD2 4.31Å
149S93.5Very high93.5Very high42 Ų4247.6 Ų47.629%0.29425%0.253SS..Hα-helixtrans-74.1-25.9-175.1-53.80000113.7L145 Q146 L177L145-S149 VanDerWaalsContact O-CB 3.27Å; L145-S149 WeakPolarHBondContact O-CB 3.36Å; L145-S149 PolarHBondContact O-N 3.44Å; L145-S149 PolarHBondContact O-OG 3.03Å; Q146-S149 PolarHBondContact O-N 3.25Å; S149-L177 PolarHBondContact OG-N 3.39Å
150T91.3Very high94Very high95 Ų9541.2 Ų41.258%0.58322%0.219SC*.Hα-helixtrans-100-8.8179.658.60000113.8Q146 M148Q146-T150 HydrophobicContact CG-CG2 4.4Å; Q146-T150 VanDerWaalsContact NE2-CG2 3.27Å; Q146-T150 WeakPolarHBondContact O-CB 3.36Å; Q146-T150 WeakPolarHBondContact O-CG2 3.38Å; Q146-T150 PolarHBondContact O-N 2.91Å; Q146-T150 PolarHBondContact O-OG1 3.46Å; M148-T150 PolarHBondContact O-N 3.09Å
151S90.3Very high94.5Very high33 Ų3338 Ų3823%0.23120%0.204CC..  trans-73.8148.3179.3-174.80000111.6I147 I153I147-S151 WeakPolarHBondContact O-CB 3.27Å; I147-S151 PolarHBondContact O-N 3.09Å; I147-S151 VanDerWaalsContact O-N 3.17Å; S151-I153 VanDerWaalsContact C-N 3.26Å; S151-I153 VanDerWaalsContact OG-CB 3.27Å; S151-I153 WeakPolarHBondContact OG-CB 3.32Å; S151-I153 WeakPolarHBondContact OG-CG1 3.37Å; S151-I153 PolarHBondContact OG-N 3.46Å
152Q91.7Very high94.7Very high196 Ų19638 Ų3892%0.91621%0.205SC*.SBendtrans-85.70.3167.5-63-179.630.700112.5
153I94.9Very high94.8Very high7 Ų733.5 Ų33.54%0.03619%0.192CC..SBendtrans-75.9130.8176.6-64.7169.3000108.9L117 Y121 D122 F124 S151 V155L117-I153 WeakPolarHBondContact O-CD1 3.44Å; Y121-I153 WeakPolarHBondContact O-CD1 3.39Å; D122-I153 WeakPolarHBondContact O-CG2 3.22Å; F124-I153 HydrophobicContact CB-CG2 4.31Å; F124-I153 HydrophobicContact CD1-CD1 4.18Å; F124-I153 HydrophobicContact CD1-CG2 3.91Å; F124-I153 HydrophobicContact CD2-CB 4.17Å; F124-I153 HydrophobicContact CD2-CG2 4.23Å; F124-I153 HydrophobicContact CE1-CD1 3.54Å; F124-I153 HydrophobicContact CE1-CG2 4.36Å; F124-I153 HydrophobicContact CE2-CB 4.28Å; F124-I153 HydrophobicContact CE2-CD1 3.97Å; F124-I153 HydrophobicContact CG-CB 4.31Å; F124-I153 HydrophobicContact CG-CG2 3.86Å; F124-I153 HydrophobicContact CZ-CD1 3.42Å; F124-I153 VanDerWaalsContact CZ-CD1 3.42Å; S151-I153 VanDerWaalsContact C-N 3.26Å; S151-I153 VanDerWaalsContact OG-CB 3.27Å; S151-I153 WeakPolarHBondContact OG-CB 3.32Å; S151-I153 WeakPolarHBondContact OG-CG1 3.37Å; S151-I153 PolarHBondContact OG-N 3.46Å; I153-V155 PolarHBondContact O-N 3.46Å
154P97.2Very high95Very high39 Ų3930.7 Ų30.725%0.25317%0.171SC..PPolyproline II helixtrans-53125.9171.7-25.833.5000112Y40 D122 L123 F124 D180Y40-P154 HydrophobicContact CE1-CB 4Å; D122-P154 WeakPolarHBondContact O-CD 3.49Å; L123-P154 HydrophobicContact CD2-CB 4.06Å; L123-P154 HydrophobicContact CD2-CG 4.38Å; F124-P154 PolarHBondContact N-O 3.05Å; P154-D180 HydrophobicContact CB-CB 4.12Å
155V98.4Very high95.1Very high6 Ų632.7 Ų32.74%0.03618%0.181CC..EExtended strand (participates in β ladder)trans-100.3132.1177-1790000109.8F124 D126 M148 I153 L177 P179 D180 C181F124-V155 HydrophobicContact CB-CG2 4.16Å; F124-V155 HydrophobicContact CD2-CG2 4.4Å; F124-V155 CarbonylContact O-C 3.56Å; F124-V155 WeakPolarHBondContact O-CA 3.3Å; D126-V155 HydrophobicContact CB-CG1 4.12Å; M148-V155 HydrophobicContact CB-CG2 4.14Å; M148-V155 HydrophobicContact SD-CG1 4.35Å; I153-V155 PolarHBondContact O-N 3.46Å; V155-L177 HydrophobicContact CG1-CD1 4.04Å; V155-L177 HydrophobicContact CG1-CD2 4.31Å; V155-L177 HydrophobicContact CG1-CG 4.4Å; V155-L177 HydrophobicContact CG2-CD1 4.41Å; V155-P179 CarbonylContact O-C 3.59Å; V155-P179 WeakPolarHBondContact O-CA 3.49Å; V155-D180 PolarHBondContact O-N 2.95Å; V155-C181 PolarHBondContact O-N 3.17Å; V155-C181 VanDerWaalsContact O-N 3.12Å
156I98.8Very high95.1Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-110.8113.4173.8-55.490.4000108.5I36 Y40 L123 F124 I125 D126 C181 I183I36-I156 HydrophobicContact CD1-CG2 4.21Å; I36-I156 HydrophobicContact CG1-CG1 4.47Å; I36-I156 HydrophobicContact CG1-CG2 3.97Å; Y40-I156 HydrophobicContact CD2-CD1 4.43Å; Y40-I156 HydrophobicContact CD2-CG1 4.3Å; Y40-I156 HydrophobicContact CE2-CD1 3.93Å; Y40-I156 HydrophobicContact CE2-CG1 3.53Å; L123-I156 HydrophobicContact CB-CD1 3.81Å; L123-I156 HydrophobicContact CD1-CD1 4.29Å; L123-I156 HydrophobicContact CD2-CD1 4.08Å; L123-I156 HydrophobicContact CG-CD1 4.28Å; F124-I156 VanDerWaalsContact O-CD1 3.28Å; F124-I156 WeakPolarHBondContact O-CD1 3.47Å; F124-I156 PolarHBondContact O-N 3.04Å; I125-I156 CarbonylContact C-O 3.55Å; I125-I156 WeakPolarHBondContact CA-O 3.31Å; I125-I156 HydrophobicContact CG1-CB 4.47Å; I125-I156 HydrophobicContact CG1-CD1 4.48Å; D126-I156 PolarHBondContact N-O 3.02Å; I156-C181 CarbonylContact C-O 3.59Å; I156-C181 VanDerWaalsContact CA-O 3.28Å; I156-C181 WeakPolarHBondContact CA-O 3.26Å; I156-C181 HydrophobicContact CB-CB 4.24Å; I156-C181 HydrophobicContact CG1-CB 3.84Å; I156-C181 HydrophobicContact CG2-CB 3.96Å; I156-I183 HydrophobicContact CG2-CD1 3.58Å; I156-I183 HydrophobicContact CG2-CG1 4.12Å
157S98.8Very high95.3Very high0 Ų029.5 Ų29.50%017%0.166CC..EExtended strand (participates in β ladder)trans-92.4126.9175.7-70.90000111.2D126 P161 L177 C181 I183D126-S157 PolarHBondContact OD2-OG 3.22Å; S157-P161 WeakPolarHBondContact OG-CA 3.48Å; S157-L177 WeakPolarHBondContact OG-CD2 3.48Å; S157-C181 PolarHBondContact N-O 3.23Å; S157-I183 PolarHBondContact O-N 3.1Å
158I98.8Very high95.4Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-86.4129170.7-60.4-179.3000108.4C32 N61 D64 C68 I125 D126 A127 V160 L185C32-I158 HydrophobicContact CB-CD1 4.09Å; C32-I158 HydrophobicContact CB-CG1 4.43Å; N61-I158 PolarHBondContact ND2-O 2.9Å; N61-I158 WeakPolarHBondContact OD1-CG2 3.5Å; N61-I158 PolarHBondContact OD1-O 3.28Å; D64-I158 HydrophobicContact CB-CG2 4.26Å; C68-I158 HydrophobicContact CB-CD1 4.25Å; I125-I158 HydrophobicContact CG2-CD1 3.71Å; I125-I158 HydrophobicContact CG2-CG1 4.01Å; D126-I158 PolarHBondContact O-N 3.32Å; A127-I158 HydrophobicContact CB-CD1 4.19Å; I158-V160 VanDerWaalsContact C-N 3.3Å; I158-V160 PolarHBondContact O-N 3.46Å; I158-L185 HydrophobicContact CG2-CD1 3.79Å; I158-L185 HydrophobicContact CG2-CG 4.32Å
159D98.2Very high95.4Very high7 Ų731.8 Ų31.84%0.03718%0.178CC..SBendtrans70.7-65.5175-166.441.1000116G130 F131 I183 L185 K189G130-D159 VanDerWaalsContact CA-OD2 3.26Å; G130-D159 WeakPolarHBondContact CA-OD2 3.49Å; F131-D159 VanDerWaalsContact CD1-OD2 3.31Å; F131-D159 WeakPolarHBondContact CD1-OD2 3.43Å; F131-D159 PolarHBondContact N-OD2 3.29Å; D159-I183 WeakPolarHBondContact CA-O 3.35Å; D159-I183 PolarHBondContact N-O 2.98Å; D159-L185 HydrophobicContact CB-CD1 4.04Å; D159-L185 HydrophobicContact CB-CG 4.2Å; D159-K189 WeakPolarHBondContact OD1-CE 3.21Å; D159-K189 IonicContact OD1-NZ 2.73Å; D159-K189 PolarHBondContact OD1-NZ 2.74Å
160V97.2Very high95.4Very high3 Ų331 Ų312%0.01817%0.172CC..SBendtrans-142.5135.7178.6172.80000107.7F129 F131 I158 S162 K189F129-V160 VanDerWaalsContact O-O 3.1Å; F131-V160 HydrophobicContact CB-CG2 4.16Å; I158-V160 VanDerWaalsContact C-N 3.3Å; I158-V160 PolarHBondContact O-N 3.46Å; V160-S162 PolarHBondContact O-N 3.44Å; V160-K189 HydrophobicContact CG2-CB 4.06Å; V160-K189 HydrophobicContact CG2-CG 4.09Å
161P97.1Very high95.2Very high1 Ų131.6 Ų31.61%0.00617%0.17CC..  trans-60.7124.4175.8-22.334.5000111.4S157 G163 W164 L177 P179 L182S157-P161 WeakPolarHBondContact OG-CA 3.48Å; P161-G163 PolarHBondContact O-N 2.84Å; P161-W164 HydrophobicContact CB-CD2 3.71Å; P161-W164 HydrophobicContact CB-CE3 4.14Å; P161-W164 HydrophobicContact CB-CG 3.87Å; P161-W164 HydrophobicContact CB-CZ2 4.44Å; P161-W164 HydrophobicContact CG-CD2 3.85Å; P161-W164 HydrophobicContact CG-CE3 3.73Å; P161-W164 HydrophobicContact CG-CG 4.43Å; P161-W164 HydrophobicContact CG-CH2 4.31Å; P161-W164 HydrophobicContact CG-CZ2 4.38Å; P161-W164 HydrophobicContact CG-CZ3 3.98Å; P161-W164 VanDerWaalsContact O-CB 3.25Å; P161-W164 WeakPolarHBondContact O-CB 3.28Å; P161-W164 PolarHBondContact O-N 3.34Å; P161-L177 HydrophobicContact CB-CD2 4.23Å; P161-P179 HydrophobicContact CB-CG 4.06Å; P161-P179 HydrophobicContact CG-CG 3.8Å; P161-L182 HydrophobicContact CG-CD1 4.11Å
162S96.6Very high95.1Very high2 Ų233.3 Ų33.31%0.01418%0.177CC..THydrogen-bonded Turntrans-61.9134.1-174.8-69.90000111.9D126 L128 F129 L145 V160 W164D126-S162 VanDerWaalsContact CG-OG 3.25Å; D126-S162 WeakPolarHBondContact OD1-CB 3.4Å; D126-S162 PolarHBondContact OD1-OG 2.66Å; D126-S162 WeakPolarHBondContact OD2-CB 3.38Å; D126-S162 PolarHBondContact OD2-N 2.9Å; D126-S162 PolarHBondContact OD2-OG 3.21Å; L128-S162 WeakPolarHBondContact CB-OG 3.39Å; F129-S162 PolarHBondContact N-OG 3.15Å; L145-S162 VanDerWaalsContact CD2-O 3.3Å; L145-S162 WeakPolarHBondContact CD2-O 3.47Å; V160-S162 PolarHBondContact O-N 3.44Å; S162-W164 VanDerWaalsContact C-N 3.32Å
163G93Very high94.5Very high23 Ų2330.6 Ų30.624%0.23717%0.169CC..THydrogen-bonded Turntrans90-12.3-174.400000114.3P161P161-G163 PolarHBondContact O-N 2.84Å
164W94.2Very high93.9Very high10 Ų1037.6 Ų37.64%0.03820%0.202CC..SBendtrans-76.5152.6170-68.822000110.9P161 S162 P170 L177 C191 F194P161-W164 HydrophobicContact CB-CD2 3.71Å; P161-W164 HydrophobicContact CB-CE3 4.14Å; P161-W164 HydrophobicContact CB-CG 3.87Å; P161-W164 HydrophobicContact CB-CZ2 4.44Å; P161-W164 HydrophobicContact CG-CD2 3.85Å; P161-W164 HydrophobicContact CG-CE3 3.73Å; P161-W164 HydrophobicContact CG-CG 4.43Å; P161-W164 HydrophobicContact CG-CH2 4.31Å; P161-W164 HydrophobicContact CG-CZ2 4.38Å; P161-W164 HydrophobicContact CG-CZ3 3.98Å; P161-W164 VanDerWaalsContact O-CB 3.25Å; P161-W164 WeakPolarHBondContact O-CB 3.28Å; P161-W164 PolarHBondContact O-N 3.34Å; S162-W164 VanDerWaalsContact C-N 3.32Å; W164-P170 HydrophobicContact CD2-CB 4.32Å; W164-P170 HydrophobicContact CG-CB 4.37Å; W164-P170 HydrophobicContact CZ2-CB 4.43Å; W164-P170 HydrophobicContact CZ2-CG 4.32Å; W164-L177 WeakPolarHBondContact CZ2-O 3.37Å; W164-L177 PolarHBondContact NE1-O 3.11Å; W164-C191 HydrophobicContact CE3-CB 4.13Å; W164-C191 WeakPolarHBondContact CZ3-O 3.4Å; W164-F194 HydrophobicContact CH2-CB 4.11Å; W164-F194 HydrophobicContact CZ3-CB 3.88Å
165N94.3Very high93.4Very high44 Ų4441.2 Ų41.224%0.23522%0.219CC..BIsolated β-bridgetrans-78.2136.5161.8179.3-74.4000109.3E167 I168 G169 L171 C191N165-E167 PolarHBondContact O-N 2.91Å; N165-E167 VanDerWaalsContact O-N 3.08Å; N165-E167 PolarHBondContact OD1-N 3.47Å; N165-I168 HydrophobicContact CB-CD1 4.39Å; N165-I168 HydrophobicContact CB-CG1 3.57Å; N165-I168 PolarHBondContact OD1-N 3.14Å; N165-G169 PolarHBondContact N-O 3.38Å; N165-G169 WeakPolarHBondContact O-CA 3.24Å; N165-G169 PolarHBondContact O-N 3Å; N165-L171 HydrophobicContact CB-CD2 3.86Å; N165-L171 HydrophobicContact CB-CG 4.32Å; N165-C191 WeakPolarHBondContact O-CB 3.46Å
166V95.1Very high93.1Very high5 Ų541.9 Ų41.93%0.0322%0.222CC..THydrogen-bonded Turntrans-59.2-24.1-175.1-178.40000113.5Q3 F131 K189 L190 C191Q3-V166 HydrophobicContact CB-CB 4.24Å; Q3-V166 HydrophobicContact CB-CG1 3.89Å; Q3-V166 HydrophobicContact CG-CB 4.32Å; Q3-V166 HydrophobicContact CG-CG1 4.11Å; Q3-V166 HydrophobicContact CG-CG2 4.35Å; F131-V166 HydrophobicContact CB-CG1 4.29Å; V166-K189 HydrophobicContact CG1-CB 3.95Å; V166-K189 HydrophobicContact CG1-CG 3.58Å; V166-L190 PolarHBondContact O-N 3.42Å; V166-C191 VanDerWaalsContact O-CB 3.29Å; V166-C191 WeakPolarHBondContact O-CB 3.42Å; V166-C191 PolarHBondContact O-N 3.36Å; V166-C191 PolarHBondContact O-SG 3.41Å
167E94.9Very high92.9Very high57 Ų5742.1 Ų42.127%0.26622%0.223SC..THydrogen-bonded Turntrans-112.5-41.5-173.8-58.1-173.8174.500113.8Q3 N165 L190 R193Q3-E167 HydrophobicContact CB-CG 4.49Å; Q3-E167 PolarHBondContact N-OE1 2.91Å; N165-E167 PolarHBondContact O-N 2.91Å; N165-E167 VanDerWaalsContact O-N 3.08Å; N165-E167 PolarHBondContact OD1-N 3.47Å; E167-L190 HydrophobicContact CB-CB 4.43Å; E167-L190 HydrophobicContact CB-CD1 4.37Å; E167-L190 HydrophobicContact CG-CD1 4.39Å; E167-R193 PolarHBondContact O-NH2 3.31Å
168I94.4Very high92.8Very high98 Ų9848.9 Ų48.950%0.50325%0.253SS..THydrogen-bonded Turntrans-101.4-0.4-175.970.4171000113.8N165 L171 F194N165-I168 HydrophobicContact CB-CD1 4.39Å; N165-I168 HydrophobicContact CB-CG1 3.57Å; N165-I168 PolarHBondContact OD1-N 3.14Å; I168-L171 HydrophobicContact CD1-CD2 3.92Å; I168-L171 HydrophobicContact CG1-CD2 4.32Å; I168-F194 WeakPolarHBondContact O-CE2 3.3Å; I168-F194 VanDerWaalsContact O-CZ 3.23Å; I168-F194 WeakPolarHBondContact O-CZ 3.48Å
169G94.3Very high92.7Very high0 Ų049.2 Ų49.20%026%0.255CS..BIsolated β-bridgetrans80.1-148.5176.400000113.6N165 L171N165-G169 PolarHBondContact N-O 3.38Å; N165-G169 WeakPolarHBondContact O-CA 3.24Å; N165-G169 PolarHBondContact O-N 3Å; G169-L171 PolarHBondContact O-N 3.07Å
170P93.5Very high92.7Very high25 Ų2550.3 Ų50.316%0.16226%0.261CS..  trans-62.8135.6-178.126.3-33.2000111.4W164 N176W164-P170 HydrophobicContact CD2-CB 4.32Å; W164-P170 HydrophobicContact CG-CB 4.37Å; W164-P170 HydrophobicContact CZ2-CB 4.43Å; W164-P170 HydrophobicContact CZ2-CG 4.32Å; P170-N176 HydrophobicContact CB-CB 3.67Å; P170-N176 VanDerWaalsContact CB-CG 3.5Å
171L88Confident92.8Very high107 Ų10750.2 Ų50.256%0.5626%0.26SS*.SBendtrans-82.2-22.4178.6-65.5177.5000113.3N165 I168 G169N165-L171 HydrophobicContact CB-CD2 3.86Å; N165-L171 HydrophobicContact CB-CG 4.32Å; I168-L171 HydrophobicContact CD1-CD2 3.92Å; I168-L171 HydrophobicContact CG1-CD2 4.32Å; G169-L171 PolarHBondContact O-N 3.07Å
172D86.9Confident92.9Very high70 Ų7050.2 Ų50.237%0.37426%0.26SS..SBendtrans-125.4125.6174.5-179-34.4000106.9E174 N175 N176D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 2.94Å; D172-E174 PolarHBondContact OD1-N 3.27Å; D172-N175 PolarHBondContact OD1-N 2.94Å; D172-N175 WeakPolarHBondContact OD2-CB 3.46Å; D172-N175 PolarHBondContact OD2-ND2 3.49Å; D172-N176 VanDerWaalsContact O-CB 3.26Å; D172-N176 WeakPolarHBondContact O-CB 3.36Å; D172-N176 PolarHBondContact O-ND2 3.5Å
173N81Confident93Very high139 Ų13950.1 Ų50.174%0.74326%0.259SS*.SBendtrans-70.9-23.9-176.5-70.7-33.1000113.4N176N173-N176 VanDerWaalsContact C-ND2 3.26Å; N173-N176 PolarHBondContact O-ND2 3.45Å
174E81.9Confident93.2Very high154 Ų15449 Ų4972%0.7225%0.248SC*.SBendtrans-102.1-50.6-175.6-64.5-174.7176.800111.1D172 N176D172-E174 VanDerWaalsContact C-N 3.29Å; D172-E174 PolarHBondContact O-N 2.94Å; D172-E174 PolarHBondContact OD1-N 3.27Å; E174-N176 PolarHBondContact O-N 3.4Å
175N86.1Confident93.4Very high115 Ų11549 Ų4962%0.61525%0.248SC*.SBendtrans-97.957.8-175.3-51.2-62.3000111.9D172D172-N175 PolarHBondContact OD1-N 2.94Å; D172-N175 WeakPolarHBondContact OD2-CB 3.46Å; D172-N175 PolarHBondContact OD2-ND2 3.49Å
176N92.1Very high93.5Very high20 Ų2047.4 Ų47.411%0.10724%0.241CC..SBendtrans-125.9161.4173.568.293.7000111.9P170 D172 N173 E174 K178P170-N176 HydrophobicContact CB-CB 3.67Å; P170-N176 VanDerWaalsContact CB-CG 3.5Å; D172-N176 VanDerWaalsContact O-CB 3.26Å; D172-N176 WeakPolarHBondContact O-CB 3.36Å; D172-N176 PolarHBondContact O-ND2 3.5Å; N173-N176 VanDerWaalsContact C-ND2 3.26Å; N173-N176 PolarHBondContact O-ND2 3.45Å; E174-N176 PolarHBondContact O-N 3.4Å; N176-K178 PolarHBondContact O-N 2.94Å
177L94.8Very high93.5Very high4 Ų447.3 Ų47.32%0.02124%0.24CC..  trans-64.4125.3170.7-167.164000109.9D126 M148 S149 V155 S157 P161 W164 P179D126-L177 HydrophobicContact CB-CD2 4.14Å; D126-L177 WeakPolarHBondContact OD2-CD2 3.27Å; M148-L177 HydrophobicContact CB-CD1 3.5Å; M148-L177 HydrophobicContact CE-CD1 4.36Å; M148-L177 HydrophobicContact CE-CD2 4.31Å; S149-L177 PolarHBondContact OG-N 3.39Å; V155-L177 HydrophobicContact CG1-CD1 4.04Å; V155-L177 HydrophobicContact CG1-CD2 4.31Å; V155-L177 HydrophobicContact CG1-CG 4.4Å; V155-L177 HydrophobicContact CG2-CD1 4.41Å; S157-L177 WeakPolarHBondContact OG-CD2 3.48Å; P161-L177 HydrophobicContact CB-CD2 4.23Å; W164-L177 WeakPolarHBondContact CZ2-O 3.37Å; W164-L177 PolarHBondContact NE1-O 3.11Å; L177-P179 VanDerWaalsContact O-CD 3.24Å; L177-P179 WeakPolarHBondContact O-CD 3.37Å
178K96.3Very high93.6Very high143 Ų14345.9 Ų45.962%0.62224%0.236SC*.  trans-113.679.5176.4-65175-172.9173.60108.7N176N176-K178 PolarHBondContact O-N 2.94Å
179P97.7Very high93.7Very high6 Ų641.5 Ų41.54%0.03921%0.213CC..  trans-64.7142.1-177.126.4-32.5000110.6V155 P161 L177 F195 G197V155-P179 CarbonylContact O-C 3.59Å; V155-P179 WeakPolarHBondContact O-CA 3.49Å; P161-P179 HydrophobicContact CB-CG 4.06Å; P161-P179 HydrophobicContact CG-CG 3.8Å; L177-P179 VanDerWaalsContact O-CD 3.24Å; L177-P179 WeakPolarHBondContact O-CD 3.37Å; P179-F195 HydrophobicContact CB-CE2 4.32Å; P179-F195 HydrophobicContact CG-CD2 4.02Å; P179-F195 HydrophobicContact CG-CE2 3.99Å; P179-F195 WeakPolarHBondContact O-CE2 3.43Å; P179-G197 WeakPolarHBondContact O-CA 3.49Å
180D98.1Very high93.8Very high31 Ų3143.8 Ų43.817%0.16623%0.225CC..SBendtrans-82-26.8172.1-175.463000111.5Y40 P154 V155 G197 R198 Y199Y40-D180 PolarHBondContact OH-OD2 3.46Å; P154-D180 HydrophobicContact CB-CB 4.12Å; V155-D180 PolarHBondContact O-N 2.95Å; D180-G197 CarbonylContact O-C 3.51Å; D180-R198 PolarHBondContact O-N 3.35Å; D180-R198 VanDerWaalsContact OD1-CG 3.3Å; D180-R198 WeakPolarHBondContact OD1-CG 3.18Å; D180-R198 IonicContact OD1-CZ 3.68Å; D180-R198 IonicContact OD1-NE 2.8Å; D180-R198 PolarHBondContact OD1-NE 3.31Å; D180-R198 IonicContact OD1-NH2 3.78Å; D180-R198 IonicContact OD2-CZ 3.13Å; D180-R198 IonicContact OD2-NE 2.88Å; D180-R198 PolarHBondContact OD2-NE 3Å; D180-R198 IonicContact OD2-NH2 2.62Å; D180-R198 PolarHBondContact OD2-NH2 3.08Å; D180-Y199 PolarHBondContact O-N 3.45Å; D180-Y199 VanDerWaalsContact O-N 3.15Å
181C98.6Very high93.9Very high0 Ų042.6 Ų42.60%022%0.218CC..EExtended strand (participates in β ladder)trans-130135.6170.5179.40000111.3Y40 V155 I156 S157 Y199Y40-C181 HydrophobicContact CE2-CB 3.87Å; Y40-C181 WeakPolarHBondContact OH-CB 3.25Å; V155-C181 PolarHBondContact O-N 3.17Å; V155-C181 VanDerWaalsContact O-N 3.12Å; I156-C181 CarbonylContact C-O 3.59Å; I156-C181 VanDerWaalsContact CA-O 3.28Å; I156-C181 WeakPolarHBondContact CA-O 3.26Å; I156-C181 HydrophobicContact CB-CB 4.24Å; I156-C181 HydrophobicContact CG1-CB 3.84Å; I156-C181 HydrophobicContact CG2-CB 3.96Å; S157-C181 PolarHBondContact N-O 3.23Å; C181-Y199 CarbonylContact C-O 3.47Å; C181-Y199 WeakPolarHBondContact CA-O 3.48Å; C181-Y199 HydrophobicContact CB-CD2 4.43Å; C181-Y199 PolarHBondContact SG-O 3.23Å
182L98.6Very high94.3Very high1 Ų137.7 Ų37.71%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-117126.5170.7173.359.4000109.1P161 A192 F195 Y199 H200 F201P161-L182 HydrophobicContact CG-CD1 4.11Å; L182-A192 HydrophobicContact CD2-CB 3.85Å; L182-F195 HydrophobicContact CB-CD1 4.36Å; L182-F195 HydrophobicContact CB-CD2 3.61Å; L182-F195 HydrophobicContact CB-CE1 4.34Å; L182-F195 HydrophobicContact CB-CE2 3.56Å; L182-F195 HydrophobicContact CB-CG 4.01Å; L182-F195 HydrophobicContact CB-CZ 3.94Å; L182-F195 HydrophobicContact CD2-CB 4Å; L182-F195 HydrophobicContact CD2-CD2 4.18Å; L182-F195 HydrophobicContact CD2-CG 4.06Å; L182-Y199 PolarHBondContact N-O 3.34Å; L182-H200 CarbonylContact O-C 3.55Å; L182-H200 WeakPolarHBondContact O-CA 3.44Å; L182-H200 PolarHBondContact O-CD2 3.47Å; L182-F201 PolarHBondContact O-N 2.62Å
183I98.7Very high94.7Very high0 Ų041.3 Ų41.30%020%0.201CC..EExtended strand (participates in β ladder)trans-111.893.6175.1-55.1165.4000107.8C32 A35 I36 I156 S157 D159 L185 F201C32-I183 HydrophobicContact CB-CD1 4.19Å; A35-I183 HydrophobicContact CB-CD1 3.84Å; A35-I183 HydrophobicContact CB-CG1 4.08Å; A35-I183 HydrophobicContact CB-CG2 4.43Å; I36-I183 HydrophobicContact CD1-CD1 4.25Å; I36-I183 HydrophobicContact CG1-CD1 3.86Å; I156-I183 HydrophobicContact CG2-CD1 3.58Å; I156-I183 HydrophobicContact CG2-CG1 4.12Å; S157-I183 PolarHBondContact O-N 3.1Å; D159-I183 WeakPolarHBondContact CA-O 3.35Å; D159-I183 PolarHBondContact N-O 2.98Å; I183-L185 HydrophobicContact CG2-CD2 4.44Å; I183-F201 CarbonylContact C-O 3.53Å; I183-F201 WeakPolarHBondContact CA-O 3.25Å; I183-F201 HydrophobicContact CG1-CB 4.34Å; I183-F201 HydrophobicContact CG2-CB 4.37Å
184S98.4Very high95.4Very high0 Ų038.5 Ų38.50%018%0.182CC..EExtended strand (participates in β ladder)trans-68.3130.8173.7-67.90000110.4H200 F201 L202 G203S184-H200 PolarHBondContact OG-NE2 3.13Å; S184-F201 PolarHBondContact N-O 2.94Å; S184-L202 CarbonylContact O-C 3.41Å; S184-L202 WeakPolarHBondContact O-CA 3.14Å; S184-L202 WeakPolarHBondContact O-CD1 3.21Å; S184-G203 PolarHBondContact O-N 3.2Å
185L98.1Very high96.1Very high9 Ų932.5 Ų32.55%0.04715%0.154CC..EExtended strand (participates in β ladder)trans-100143175.3-61.3179.3000111A28 I158 D159 I183 A187 K189A28-L185 HydrophobicContact CB-CD1 3.84Å; A28-L185 HydrophobicContact CB-CD2 3.97Å; A28-L185 HydrophobicContact CB-CG 4.49Å; I158-L185 HydrophobicContact CG2-CD1 3.79Å; I158-L185 HydrophobicContact CG2-CG 4.32Å; D159-L185 HydrophobicContact CB-CD1 4.04Å; D159-L185 HydrophobicContact CB-CG 4.2Å; I183-L185 HydrophobicContact CG2-CD2 4.44Å; L185-A187 PolarHBondContact O-N 3.03Å; L185-A187 VanDerWaalsContact O-O 3.08Å; L185-K189 PolarHBondContact O-NZ 3.34Å
186T96Very high96.5Very high12 Ų1236.1 Ų36.17%0.07417%0.167CC..SBendtrans66.2-58.2-178.6-53.90000113.1V9 G203 F206 V207 L219V9-T186 HydrophobicContact CG1-CG2 3.68Å; T186-G203 PolarHBondContact N-O 2.54Å; T186-F206 WeakPolarHBondContact OG1-CE2 3.49Å; T186-F206 WeakPolarHBondContact OG1-CZ 3.19Å; T186-V207 HydrophobicContact CG2-CG2 3.71Å; T186-L219 VanDerWaalsContact O-CD1 3.27Å; T186-L219 WeakPolarHBondContact O-CD1 3.27Å
187A96.3Very high96.7Very high3 Ų336.3 Ų36.33%0.02517%0.174CC..SBendtrans-157.9154.5172.800000110.1M1 L185 K189 L219M1-A187 HydrophobicContact CB-CB 4.28Å; M1-A187 HydrophobicContact CE-CB 3.43Å; M1-A187 VanDerWaalsContact CE-CB 3.43Å; M1-A187 HydrophobicContact SD-CB 4.17Å; L185-A187 PolarHBondContact O-N 3.03Å; L185-A187 VanDerWaalsContact O-O 3.08Å; A187-K189 WeakPolarHBondContact O-CE 3.42Å; A187-K189 PolarHBondContact O-N 3.37Å; A187-K189 PolarHBondContact O-NZ 3.33Å; A187-L219 HydrophobicContact CB-CD2 3.67Å
188P96.7Very high96.8Very high27 Ų2743.1 Ų43.118%0.17520%0.199CC..  trans-57.9127.9167.9-23.635.6000111.8M1 A192 L231M1-P188 PolarHBondContact N-O 3Å; P188-A192 HydrophobicContact CB-CB 4.02Å; P188-L231 HydrophobicContact CG-CD1 3.71Å
189K96.8Very high96.9Very high5 Ų539.4 Ų39.42%0.02218%0.182CC..  trans-75.1158.3169.8-89.359.266.7178.70109.1A6 F131 D159 V160 V166 L185 A187 C191 A192A6-K189 HydrophobicContact CB-CD 4.43Å; F131-K189 HydrophobicContact CB-CD 4.05Å; F131-K189 HydrophobicContact CB-CG 3.97Å; D159-K189 WeakPolarHBondContact OD1-CE 3.21Å; D159-K189 IonicContact OD1-NZ 2.73Å; D159-K189 PolarHBondContact OD1-NZ 2.74Å; V160-K189 HydrophobicContact CG2-CB 4.06Å; V160-K189 HydrophobicContact CG2-CG 4.09Å; V166-K189 HydrophobicContact CG1-CB 3.95Å; V166-K189 HydrophobicContact CG1-CG 3.58Å; L185-K189 PolarHBondContact O-NZ 3.34Å; A187-K189 WeakPolarHBondContact O-CE 3.42Å; A187-K189 PolarHBondContact O-N 3.37Å; A187-K189 PolarHBondContact O-NZ 3.33Å; K189-C191 PolarHBondContact O-N 2.73Å; K189-C191 VanDerWaalsContact O-N 3.12Å; K189-A192 WeakPolarHBondContact O-CB 3.37Å; K189-A192 PolarHBondContact O-N 3.45Å
190L95.9Very high96.9Very high48 Ų4839.6 Ų39.625%0.25118%0.182SC..G310 helixtrans-59.1-27.2-175.6-75.1-178.4000113.8M1 Y2 V166 E167 A192 R193M1-L190 PolarHBondContact O-N 3.36Å; Y2-L190 HydrophobicContact CD1-CD1 3.47Å; Y2-L190 VanDerWaalsContact CD1-CD1 3.47Å; Y2-L190 HydrophobicContact CD2-CD1 4.18Å; Y2-L190 HydrophobicContact CE1-CD1 3.37Å; Y2-L190 HydrophobicContact CE2-CD1 4.1Å; Y2-L190 HydrophobicContact CG-CD1 3.88Å; V166-L190 PolarHBondContact O-N 3.42Å; E167-L190 HydrophobicContact CB-CB 4.43Å; E167-L190 HydrophobicContact CB-CD1 4.37Å; E167-L190 HydrophobicContact CG-CD1 4.39Å; L190-A192 PolarHBondContact O-N 3.15Å; L190-R193 WeakPolarHBondContact O-CD 3.21Å; L190-R193 VanDerWaalsContact O-CG 3.25Å; L190-R193 WeakPolarHBondContact O-CG 3.25Å; L190-R193 PolarHBondContact O-N 3.2Å; L190-R193 PolarHBondContact O-NE 2.97Å
191C95.5Very high97Very high1 Ų138.6 Ų38.61%0.00718%0.176CC..G310 helixtrans-63.5-21.2173.264.90000113.9W164 N165 V166 K189 R193 F194W164-C191 HydrophobicContact CE3-CB 4.13Å; W164-C191 WeakPolarHBondContact CZ3-O 3.4Å; N165-C191 WeakPolarHBondContact O-CB 3.46Å; V166-C191 VanDerWaalsContact O-CB 3.29Å; V166-C191 WeakPolarHBondContact O-CB 3.42Å; V166-C191 PolarHBondContact O-N 3.36Å; V166-C191 PolarHBondContact O-SG 3.41Å; K189-C191 PolarHBondContact O-N 2.73Å; K189-C191 VanDerWaalsContact O-N 3.12Å; C191-R193 PolarHBondContact O-N 2.86Å; C191-F194 WeakPolarHBondContact O-CD2 3.34Å; C191-F194 PolarHBondContact O-N 3.36Å; C191-F194 VanDerWaalsContact O-N 3.08Å
192A96.4Very high96.9Very high4 Ų438.6 Ų38.63%0.03318%0.176CC..G310 helixtrans-62.6-24.5-178.400000112.7L182 P188 K189 L190 F194 F195L182-A192 HydrophobicContact CD2-CB 3.85Å; P188-A192 HydrophobicContact CB-CB 4.02Å; K189-A192 WeakPolarHBondContact O-CB 3.37Å; K189-A192 PolarHBondContact O-N 3.45Å; L190-A192 PolarHBondContact O-N 3.15Å; A192-F194 PolarHBondContact O-N 3.31Å; A192-F194 VanDerWaalsContact O-N 3.08Å; A192-F195 WeakPolarHBondContact O-CB 3.18Å; A192-F195 PolarHBondContact O-N 3.02Å
193R95.5Very high96.9Very high146 Ų14638.6 Ų38.655%0.55118%0.176SC*.G310 helixtrans-60.8-18.417475.8-170.1154.3155.4-2.4114.5E167 L190 C191E167-R193 PolarHBondContact O-NH2 3.31Å; L190-R193 WeakPolarHBondContact O-CD 3.21Å; L190-R193 VanDerWaalsContact O-CG 3.25Å; L190-R193 WeakPolarHBondContact O-CG 3.25Å; L190-R193 PolarHBondContact O-N 3.2Å; L190-R193 PolarHBondContact O-NE 2.97Å; C191-R193 PolarHBondContact O-N 2.86Å
194F95.4Very high96.4Very high79 Ų7938.6 Ų38.635%0.34618%0.176SC..G310 helixtrans-92.2-3.6177.3-59.5-85.9000112.5W164 I168 C191 A192W164-F194 HydrophobicContact CH2-CB 4.11Å; W164-F194 HydrophobicContact CZ3-CB 3.88Å; I168-F194 WeakPolarHBondContact O-CE2 3.3Å; I168-F194 VanDerWaalsContact O-CZ 3.23Å; I168-F194 WeakPolarHBondContact O-CZ 3.48Å; C191-F194 WeakPolarHBondContact O-CD2 3.34Å; C191-F194 PolarHBondContact O-N 3.36Å; C191-F194 VanDerWaalsContact O-N 3.08Å; A192-F194 PolarHBondContact O-N 3.31Å; A192-F194 VanDerWaalsContact O-N 3.08Å
195F95.9Very high96.3Very high28 Ų2844 Ų4412%0.12320%0.196CC..  trans-65.4135176.5178.7-109.2000110.9P179 L182 A192 G197 Y199 H200P179-F195 HydrophobicContact CB-CE2 4.32Å; P179-F195 HydrophobicContact CG-CD2 4.02Å; P179-F195 HydrophobicContact CG-CE2 3.99Å; P179-F195 WeakPolarHBondContact O-CE2 3.43Å; L182-F195 HydrophobicContact CB-CD1 4.36Å; L182-F195 HydrophobicContact CB-CD2 3.61Å; L182-F195 HydrophobicContact CB-CE1 4.34Å; L182-F195 HydrophobicContact CB-CE2 3.56Å; L182-F195 HydrophobicContact CB-CG 4.01Å; L182-F195 HydrophobicContact CB-CZ 3.94Å; L182-F195 HydrophobicContact CD2-CB 4Å; L182-F195 HydrophobicContact CD2-CD2 4.18Å; L182-F195 HydrophobicContact CD2-CG 4.06Å; A192-F195 WeakPolarHBondContact O-CB 3.18Å; A192-F195 PolarHBondContact O-N 3.02Å; F195-G197 WeakPolarHBondContact CE1-O 3.34Å; F195-Y199 WeakPolarHBondContact CE1-O 3.13Å; F195-Y199 VanDerWaalsContact CZ-O 3.23Å; F195-Y199 WeakPolarHBondContact CZ-O 3.47Å; F195-H200 HydrophobicContact CD1-CB 3.9Å; F195-H200 HydrophobicContact CE1-CB 3.72Å
196Q95.2Very high96.2Very high191 Ų19144.5 Ų44.589%0.89320%0.198SC*.  trans-129.97.9-178.9-63.4-177.6-1.500112.6
197G96.6Very high96.2Very high24 Ų2445 Ų4525%0.24720%0.201CC..SBendtrans-74.9177.7179.300000112.7P179 D180 F195P179-G197 WeakPolarHBondContact O-CA 3.49Å; D180-G197 CarbonylContact O-C 3.51Å; F195-G197 WeakPolarHBondContact CE1-O 3.34Å
198R96.9Very high96.2Very high148 Ų14846.6 Ų46.656%0.55821%0.211SC*.SBendtrans-73.7-33.2-175.5-67.5-176.7-65.6167.8-0.4113.7D180D180-R198 PolarHBondContact O-N 3.35Å; D180-R198 VanDerWaalsContact OD1-CG 3.3Å; D180-R198 WeakPolarHBondContact OD1-CG 3.18Å; D180-R198 IonicContact OD1-CZ 3.68Å; D180-R198 IonicContact OD1-NE 2.8Å; D180-R198 PolarHBondContact OD1-NE 3.31Å; D180-R198 IonicContact OD1-NH2 3.78Å; D180-R198 IonicContact OD2-CZ 3.13Å; D180-R198 IonicContact OD2-NE 2.88Å; D180-R198 PolarHBondContact OD2-NE 3Å; D180-R198 IonicContact OD2-NH2 2.62Å; D180-R198 PolarHBondContact OD2-NH2 3.08Å
199Y98Very high96.1Very high64 Ų6450.3 Ų50.325%0.25123%0.23SC..EExtended strand (participates in β ladder)trans-130118-169.6-53.2-72.1000111.8A39 Y40 D180 C181 L182 F195 F201 L230A39-Y199 HydrophobicContact CB-CD1 4.13Å; A39-Y199 HydrophobicContact CB-CD2 3.78Å; A39-Y199 HydrophobicContact CB-CE1 4.41Å; A39-Y199 HydrophobicContact CB-CE2 4.08Å; A39-Y199 HydrophobicContact CB-CG 3.81Å; Y40-Y199 HydrophobicContact CE1-CE2 4.24Å; Y40-Y199 HydrophobicContact CE2-CD2 4.37Å; D180-Y199 PolarHBondContact O-N 3.45Å; D180-Y199 VanDerWaalsContact O-N 3.15Å; C181-Y199 CarbonylContact C-O 3.47Å; C181-Y199 WeakPolarHBondContact CA-O 3.48Å; C181-Y199 HydrophobicContact CB-CD2 4.43Å; C181-Y199 PolarHBondContact SG-O 3.23Å; L182-Y199 PolarHBondContact N-O 3.34Å; F195-Y199 WeakPolarHBondContact CE1-O 3.13Å; F195-Y199 VanDerWaalsContact CZ-O 3.23Å; F195-Y199 WeakPolarHBondContact CZ-O 3.47Å; Y199-F201 HydrophobicContact CG-CE2 4.49Å; Y199-L230 HydrophobicContact CD1-CD1 4.44Å
200H98.2Very high96.1Very high10 Ų1052.9 Ų52.95%0.04625%0.252CS..EExtended strand (participates in β ladder)trans-116.3115.9170.5-167.1177.9000109L182 S184 F195 L230 L231 D236L182-H200 CarbonylContact O-C 3.55Å; L182-H200 WeakPolarHBondContact O-CA 3.44Å; L182-H200 PolarHBondContact O-CD2 3.47Å; S184-H200 PolarHBondContact OG-NE2 3.13Å; F195-H200 HydrophobicContact CD1-CB 3.9Å; F195-H200 HydrophobicContact CE1-CB 3.72Å; H200-L230 WeakPolarHBondContact O-CD1 3.5Å; H200-L231 HydrophobicContact CB-CB 4.36Å; H200-L231 PolarHBondContact O-N 3.07Å; H200-D236 VanDerWaalsContact CE1-CG 3.47Å; H200-D236 IonicContact CE1-OD1 2.62Å; H200-D236 PolarHBondContact CE1-OD1 3.29Å; H200-D236 VanDerWaalsContact CE1-OD1 3.24Å; H200-D236 IonicContact CE1-OD2 2.91Å; H200-D236 PolarHBondContact CE1-OD2 3.09Å; H200-D236 VanDerWaalsContact CE1-OD2 3.28Å; H200-D236 IonicContact ND1-OD1 2.93Å; H200-D236 IonicContact ND1-OD2 3.84Å; H200-D236 PolarHBondContact ND1-OD2 2.93Å
201F98.4Very high96.1Very high11 Ų1150.6 Ų50.65%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-108.5148.6175.7-72.1-90000111.4A35 K38 A39 L182 I183 S184 Y199 C228 V229 L230A35-F201 HydrophobicContact CB-CB 4.01Å; A35-F201 HydrophobicContact CB-CD1 4.1Å; A35-F201 HydrophobicContact CB-CD2 3.97Å; A35-F201 HydrophobicContact CB-CE2 4.46Å; A35-F201 HydrophobicContact CB-CG 3.76Å; K38-F201 HydrophobicContact CB-CZ 4.24Å; K38-F201 HydrophobicContact CD-CE1 4.45Å; A39-F201 HydrophobicContact CB-CE2 4.02Å; L182-F201 PolarHBondContact O-N 2.62Å; I183-F201 CarbonylContact C-O 3.53Å; I183-F201 WeakPolarHBondContact CA-O 3.25Å; I183-F201 HydrophobicContact CG1-CB 4.34Å; I183-F201 HydrophobicContact CG2-CB 4.37Å; S184-F201 PolarHBondContact N-O 2.94Å; Y199-F201 HydrophobicContact CG-CE2 4.49Å; F201-C228 HydrophobicContact CD1-CB 4.17Å; F201-V229 CarbonylContact C-O 3.58Å; F201-V229 VanDerWaalsContact CA-O 3.27Å; F201-V229 WeakPolarHBondContact CA-O 3.26Å; F201-L230 HydrophobicContact CD1-CB 4.1Å; F201-L230 HydrophobicContact CD1-CD1 4.28Å; F201-L230 HydrophobicContact CD2-CD1 4.1Å; F201-L230 HydrophobicContact CE1-CB 3.74Å; F201-L230 HydrophobicContact CE1-CD1 3.9Å; F201-L230 HydrophobicContact CE1-CG 4.43Å; F201-L230 HydrophobicContact CE2-CD1 3.72Å; F201-L230 HydrophobicContact CG-CD1 4.37Å; F201-L230 HydrophobicContact CZ-CB 4.25Å; F201-L230 HydrophobicContact CZ-CD1 3.61Å; F201-L230 HydrophobicContact CZ-CG 4.49Å
202L98.2Very high96.1Very high0 Ų052.8 Ų52.80%025%0.251CS..EExtended strand (participates in β ladder)trans-100126156.7175.164.1000108.5S184 L219 P220 C228 V229 L231S184-L202 CarbonylContact O-C 3.41Å; S184-L202 WeakPolarHBondContact O-CA 3.14Å; S184-L202 WeakPolarHBondContact O-CD1 3.21Å; L202-L219 HydrophobicContact CD2-CB 4.31Å; L202-L219 HydrophobicContact CD2-CD2 4.1Å; L202-P220 HydrophobicContact CD2-CG 3.99Å; L202-C228 CarbonylContact O-C 3.58Å; L202-C228 WeakPolarHBondContact O-CA 3.36Å; L202-C228 WeakPolarHBondContact O-CB 3.49Å; L202-V229 HydrophobicContact CB-CG1 3.77Å; L202-V229 HydrophobicContact CD2-CG1 4.27Å; L202-V229 HydrophobicContact CG-CG1 4.36Å; L202-V229 PolarHBondContact N-O 2.63Å; L202-V229 PolarHBondContact O-N 3.22Å; L202-L231 HydrophobicContact CB-CD1 4.14Å; L202-L231 HydrophobicContact CB-CD2 3.92Å; L202-L231 HydrophobicContact CB-CG 4.18Å
203G97.7Very high96.1Very high0 Ų060.3 Ų60.30%028%0.283CS..EExtended strand (participates in β ladder)trans-122.4169.2174.500000111.9S184 T186 Y222S184-G203 PolarHBondContact O-N 3.2Å; T186-G203 PolarHBondContact N-O 2.54Å; G203-Y222 VanDerWaalsContact C-OH 3.25Å; G203-Y222 PolarHBondContact O-OH 3.29Å
204G89.3Confident96.2Very high0 Ų059.7 Ų59.70%028%0.284CS..  trans86.265-17800000112.5S31 F206 Y222S31-G204 PolarHBondContact OG-N 2.84Å; S31-G204 VanDerWaalsContact OG-N 3.16Å; G204-F206 VanDerWaalsContact C-CD1 3.44Å; G204-F206 PolarHBondContact O-N 3.33Å; G204-Y222 PolarHBondContact O-OH 3.47Å
205R95.1Very high96.2Very high113 Ų11357.2 Ų57.243%0.42627%0.273SS..THydrogen-bonded Turntrans-71.667.4175.6-170.6-176.7178.7166.40.2111.9Y222 G224 E226R205-Y222 HydrophobicContact CB-CD1 3.98Å; R205-Y222 HydrophobicContact CB-CD2 4.18Å; R205-Y222 HydrophobicContact CB-CE1 3.83Å; R205-Y222 HydrophobicContact CB-CE2 4.04Å; R205-Y222 HydrophobicContact CB-CG 4.14Å; R205-Y222 HydrophobicContact CG-CD1 4.16Å; R205-Y222 HydrophobicContact CG-CD2 3.77Å; R205-Y222 HydrophobicContact CG-CE1 4.41Å; R205-Y222 HydrophobicContact CG-CE2 4.06Å; R205-Y222 HydrophobicContact CG-CG 3.82Å; R205-Y222 PolarHBondContact N-OH 2.96Å; R205-G224 VanDerWaalsContact CZ-O 3.28Å; R205-G224 PolarHBondContact NH1-O 3.05Å; R205-G224 PolarHBondContact NH2-O 2.85Å; R205-E226 WeakPolarHBondContact CD-O 3.25Å; R205-E226 PolarHBondContact NH1-O 3.2Å
206F95.6Very high96.2Very high20 Ų2061.9 Ų61.99%0.08830%0.299CS..THydrogen-bonded Turntrans-139.50.7-178.351.4-112.7000114.2L13 L24 L27 T186 G204 P208L13-F206 HydrophobicContact CD1-CD2 4.03Å; L13-F206 HydrophobicContact CD1-CE2 3.92Å; L24-F206 HydrophobicContact CD2-CB 4.28Å; L24-F206 HydrophobicContact CD2-CD1 4.24Å; L24-F206 HydrophobicContact CD2-CD2 3.85Å; L24-F206 HydrophobicContact CD2-CE2 4.23Å; L24-F206 HydrophobicContact CD2-CG 3.87Å; L27-F206 HydrophobicContact CB-CD1 3.81Å; L27-F206 HydrophobicContact CB-CE1 4.27Å; L27-F206 HydrophobicContact CD1-CB 3.97Å; L27-F206 HydrophobicContact CD1-CD1 4Å; L27-F206 HydrophobicContact CD1-CG 4.4Å; T186-F206 WeakPolarHBondContact OG1-CE2 3.49Å; T186-F206 WeakPolarHBondContact OG1-CZ 3.19Å; G204-F206 VanDerWaalsContact C-CD1 3.44Å; G204-F206 PolarHBondContact O-N 3.33Å; F206-P208 WeakPolarHBondContact O-CD 3.34Å
207V96.2Very high96.1Very high22 Ų2254 Ų5413%0.13326%0.263CS..  trans-77.2115.6179.8-169.50000110.1T186 L211 M212 L217 L219T186-V207 HydrophobicContact CG2-CG2 3.71Å; V207-L211 HydrophobicContact CG1-CB 4.33Å; V207-L211 HydrophobicContact CG1-CD2 4.33Å; V207-M212 HydrophobicContact CB-CG 4.23Å; V207-M212 HydrophobicContact CG1-CG 3.54Å; V207-L217 HydrophobicContact CG1-CD1 4.26Å; V207-L219 HydrophobicContact CB-CD1 4.44Å; V207-L219 HydrophobicContact CG2-CD1 4.36Å
208P95.9Very high95.8Very high37 Ų3761.9 Ų61.924%0.2429%0.29CS..  trans-71.9151.3-179.6-20.536.1000112.5L13 Y17 F206 A210 L211 M212L13-P208 HydrophobicContact CD2-CG 4.48Å; Y17-P208 HydrophobicContact CD1-CB 4.25Å; Y17-P208 HydrophobicContact CD1-CG 3.64Å; Y17-P208 HydrophobicContact CE1-CB 3.76Å; Y17-P208 HydrophobicContact CE1-CG 3.62Å; Y17-P208 HydrophobicContact CG-CG 4.31Å; F206-P208 WeakPolarHBondContact O-CD 3.34Å; P208-A210 PolarHBondContact O-N 2.95Å; P208-L211 WeakPolarHBondContact O-CA 3.32Å; P208-L211 WeakPolarHBondContact O-CB 3.41Å; P208-L211 PolarHBondContact O-N 3.3Å; P208-M212 PolarHBondContact O-N 3.21Å
209D95.1Very high95.6Very high106 Ų10656.6 Ų56.657%0.56727%0.273SS*.Hα-helixtrans-54.1-38.4179.5-72.9-3.9000113.7L211 M212 K213D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 PolarHBondContact O-N 3.47Å; D209-M212 HydrophobicContact CB-CE 4.37Å; D209-M212 PolarHBondContact O-N 3.39Å; D209-M212 WeakPolarHBondContact OD1-CE 3.21Å; D209-K213 WeakPolarHBondContact O-CB 3.46Å; D209-K213 VanDerWaalsContact O-CG 3.25Å; D209-K213 WeakPolarHBondContact O-CG 3.32Å; D209-K213 PolarHBondContact O-N 3.2Å
210A96.7Very high95.4Very high59 Ų5955.7 Ų55.749%0.48828%0.275SS..Hα-helixtrans-63.9-39.2177.800000111.7P208 K213 K214P208-A210 PolarHBondContact O-N 2.95Å; A210-K213 PolarHBondContact O-N 3.38Å; A210-K214 WeakPolarHBondContact O-CB 3.09Å; A210-K214 PolarHBondContact O-N 2.75Å
211L96.3Very high95.2Very high0 Ų061.3 Ų61.30%031%0.31CS..Hα-helixtrans-72.2-41.8177.6-163.162.2000111.2V9 E12 L13 Y17 V207 P208 D209 K213 K214 Y215V9-L211 HydrophobicContact CG1-CD2 3.88Å; V9-L211 HydrophobicContact CG1-CG 4.45Å; E12-L211 HydrophobicContact CB-CD1 4.09Å; E12-L211 WeakPolarHBondContact OE2-CD1 3.36Å; L13-L211 HydrophobicContact CD1-CD2 4.42Å; L13-L211 HydrophobicContact CD2-CD2 3.67Å; L13-L211 HydrophobicContact CG-CD2 3.73Å; Y17-L211 HydrophobicContact CE2-CB 4.3Å; Y17-L211 HydrophobicContact CE2-CD1 3.97Å; Y17-L211 HydrophobicContact CE2-CD2 4.28Å; Y17-L211 HydrophobicContact CE2-CG 4.44Å; Y17-L211 PolarHBondContact OH-N 2.91Å; V207-L211 HydrophobicContact CG1-CB 4.33Å; V207-L211 HydrophobicContact CG1-CD2 4.33Å; P208-L211 WeakPolarHBondContact O-CA 3.32Å; P208-L211 WeakPolarHBondContact O-CB 3.41Å; P208-L211 PolarHBondContact O-N 3.3Å; D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 PolarHBondContact O-N 3.47Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 2.93Å; L211-K214 PolarHBondContact O-N 3.41Å; L211-Y215 HydrophobicContact CD1-CD2 3.68Å; L211-Y215 HydrophobicContact CD1-CE2 3.47Å; L211-Y215 VanDerWaalsContact CD1-CE2 3.47Å; L211-Y215 HydrophobicContact CG-CD2 4.13Å; L211-Y215 HydrophobicContact CG-CE2 4.34Å; L211-Y215 WeakPolarHBondContact O-CD2 3.44Å; L211-Y215 PolarHBondContact O-N 3.42Å
212M95.2Very high95Very high46 Ų4662 Ų6223%0.22731%0.312CS..Hα-helixtrans-56.7-45.2172.4-68.3-165.8-70.100111.4V207 P208 D209 N216 L217 L219V207-M212 HydrophobicContact CB-CG 4.23Å; V207-M212 HydrophobicContact CG1-CG 3.54Å; P208-M212 PolarHBondContact O-N 3.21Å; D209-M212 HydrophobicContact CB-CE 4.37Å; D209-M212 PolarHBondContact O-N 3.39Å; D209-M212 WeakPolarHBondContact OD1-CE 3.21Å; M212-N216 CarbonylContact O-C 3.12Å; M212-N216 WeakPolarHBondContact O-CA 3.45Å; M212-N216 PolarHBondContact O-N 3.23Å; M212-L217 HydrophobicContact CB-CB 4.39Å; M212-L217 PolarHBondContact O-N 3.44Å; M212-L219 HydrophobicContact CG-CD1 4.26Å; M212-L219 HydrophobicContact SD-CB 4.24Å; M212-L219 HydrophobicContact SD-CD1 4.02Å; M212-L219 HydrophobicContact SD-CG 4.45Å
213K96.4Very high94.8Very high163 Ų16365.5 Ų65.571%0.70934%0.335SS*.Hα-helixtrans-64.2-46.3176.7-73167.9-174.7173.70112.1D209 A210 L211 Y215 N216D209-K213 WeakPolarHBondContact O-CB 3.46Å; D209-K213 VanDerWaalsContact O-CG 3.25Å; D209-K213 WeakPolarHBondContact O-CG 3.32Å; D209-K213 PolarHBondContact O-N 3.2Å; A210-K213 PolarHBondContact O-N 3.38Å; L211-K213 VanDerWaalsContact C-N 3.31Å; L211-K213 PolarHBondContact O-N 2.93Å; K213-Y215 VanDerWaalsContact C-N 3.31Å; K213-Y215 PolarHBondContact O-N 3.22Å; K213-N216 PolarHBondContact O-N 2.92Å; K213-N216 VanDerWaalsContact O-N 3.14Å
214K97.4Very high94.7Very high132 Ų13268.5 Ų68.557%0.57437%0.366SS*.Hα-helixtrans-57.8-43.1-178.5178173.6175.6178.10112.4E12 A210 L211E12-K214 WeakPolarHBondContact OE1-CE 3.37Å; E12-K214 IonicContact OE1-NZ 3.21Å; E12-K214 PolarHBondContact OE1-NZ 2.85Å; E12-K214 WeakPolarHBondContact OE2-CE 3.29Å; E12-K214 IonicContact OE2-NZ 2.63Å; E12-K214 PolarHBondContact OE2-NZ 3.12Å; A210-K214 WeakPolarHBondContact O-CB 3.09Å; A210-K214 PolarHBondContact O-N 2.75Å; L211-K214 PolarHBondContact O-N 3.41Å
215Y96.3Very high95Very high28 Ų2876.5 Ų76.511%0.1140%0.403CS..THydrogen-bonded Turntrans-968.6-180-71.4-86.9000113.3E5 Q8 V9 E12 L211 K213 L217E5-Y215 HydrophobicContact CG-CD1 4.14Å; E5-Y215 HydrophobicContact CG-CE1 4.48Å; Q8-Y215 HydrophobicContact CB-CE1 4Å; Q8-Y215 VanDerWaalsContact CB-OH 3.25Å; Q8-Y215 WeakPolarHBondContact CB-OH 3.46Å; V9-Y215 HydrophobicContact CG2-CD1 3.84Å; V9-Y215 HydrophobicContact CG2-CD2 3.65Å; V9-Y215 HydrophobicContact CG2-CE1 3.98Å; V9-Y215 HydrophobicContact CG2-CE2 3.83Å; V9-Y215 HydrophobicContact CG2-CG 3.67Å; E12-Y215 WeakPolarHBondContact OE1-CE2 3.12Å; E12-Y215 PolarHBondContact OE1-OH 3.2Å; L211-Y215 HydrophobicContact CD1-CD2 3.68Å; L211-Y215 HydrophobicContact CD1-CE2 3.47Å; L211-Y215 VanDerWaalsContact CD1-CE2 3.47Å; L211-Y215 HydrophobicContact CG-CD2 4.13Å; L211-Y215 HydrophobicContact CG-CE2 4.34Å; L211-Y215 WeakPolarHBondContact O-CD2 3.44Å; L211-Y215 PolarHBondContact O-N 3.42Å; K213-Y215 VanDerWaalsContact C-N 3.31Å; K213-Y215 PolarHBondContact O-N 3.22Å; Y215-L217 PolarHBondContact O-N 3.41Å; Y215-L217 VanDerWaalsContact O-N 3.15Å
216N95.4Very high95.1Very high126 Ų12673.8 Ų73.867%0.67440%0.395SS*.THydrogen-bonded Turntrans48.640.5-177.4-167.833.2000113.3M212 K213 K218M212-N216 CarbonylContact O-C 3.12Å; M212-N216 WeakPolarHBondContact O-CA 3.45Å; M212-N216 PolarHBondContact O-N 3.23Å; K213-N216 PolarHBondContact O-N 2.92Å; K213-N216 VanDerWaalsContact O-N 3.14Å; N216-K218 PolarHBondContact O-N 3.19Å
217L93.2Very high95.2Very high25 Ų2575.3 Ų75.313%0.13140%0.404CS..  trans-76.3114.2-178.1-52.9-178.7000109.6M1 V207 M212 Y215 L219M1-L217 HydrophobicContact CE-CD1 3.6Å; M1-L217 HydrophobicContact CE-CD2 3.39Å; M1-L217 HydrophobicContact CE-CG 4.15Å; V207-L217 HydrophobicContact CG1-CD1 4.26Å; M212-L217 HydrophobicContact CB-CB 4.39Å; M212-L217 PolarHBondContact O-N 3.44Å; Y215-L217 PolarHBondContact O-N 3.41Å; Y215-L217 VanDerWaalsContact O-N 3.15Å; L217-L219 VanDerWaalsContact C-N 3.28Å; L217-L219 HydrophobicContact CB-CD1 4.22Å; L217-L219 HydrophobicContact CB-CD2 4.47Å; L217-L219 HydrophobicContact CB-CG 3.92Å; L217-L219 HydrophobicContact CD1-CD1 4.35Å; L217-L219 PolarHBondContact O-N 3.24Å; L217-L219 VanDerWaalsContact O-N 3.14Å
218K91.1Very high95.3Very high190 Ų19074.5 Ų74.583%0.82640%0.399SS*.  trans-86.966.1174.9-64.4-177.7-179.8-179.80110.6N216N216-K218 PolarHBondContact O-N 3.19Å
219L92.5Very high95.4Very high36 Ų3673.6 Ų73.619%0.18839%0.393CS..PPolyproline II helixtrans-85.9141-179.4-56.4179000110.9T186 A187 L202 V207 M212 L217T186-L219 VanDerWaalsContact O-CD1 3.27Å; T186-L219 WeakPolarHBondContact O-CD1 3.27Å; A187-L219 HydrophobicContact CB-CD2 3.67Å; L202-L219 HydrophobicContact CD2-CB 4.31Å; L202-L219 HydrophobicContact CD2-CD2 4.1Å; V207-L219 HydrophobicContact CB-CD1 4.44Å; V207-L219 HydrophobicContact CG2-CD1 4.36Å; M212-L219 HydrophobicContact CG-CD1 4.26Å; M212-L219 HydrophobicContact SD-CB 4.24Å; M212-L219 HydrophobicContact SD-CD1 4.02Å; M212-L219 HydrophobicContact SD-CG 4.45Å; L217-L219 VanDerWaalsContact C-N 3.28Å; L217-L219 HydrophobicContact CB-CD1 4.22Å; L217-L219 HydrophobicContact CB-CD2 4.47Å; L217-L219 HydrophobicContact CB-CG 3.92Å; L217-L219 HydrophobicContact CD1-CD1 4.35Å; L217-L219 PolarHBondContact O-N 3.24Å; L217-L219 VanDerWaalsContact O-N 3.14Å
220P93.1Very high95.5Very high46 Ų4672.4 Ų72.430%0.29939%0.386SS..PPolyproline II helixtrans-66.7153.3172.528.9-35.3000111.2L202 V229 L231L202-P220 HydrophobicContact CD2-CG 3.99Å; P220-V229 HydrophobicContact CG-CG1 3.78Å; P220-L231 HydrophobicContact CG-CD2 3.59Å
221T93.3Very high95.4Very high128 Ų12870.2 Ų70.279%0.78537%0.366SS*.PPolyproline II helixtrans-73.2130.2172.4-53.90000110.3P223T221-P223 WeakPolarHBondContact O-CD 3.02Å
222Y95.3Very high94.7Very high25 Ų2574.8 Ų74.810%0.09839%0.391CS..PPolyproline II helixtrans-66125.5170.9-71.4-101.4000110G203 G204 R205 G224 L227 V229G203-Y222 VanDerWaalsContact C-OH 3.25Å; G203-Y222 PolarHBondContact O-OH 3.29Å; G204-Y222 PolarHBondContact O-OH 3.47Å; R205-Y222 HydrophobicContact CB-CD1 3.98Å; R205-Y222 HydrophobicContact CB-CD2 4.18Å; R205-Y222 HydrophobicContact CB-CE1 3.83Å; R205-Y222 HydrophobicContact CB-CE2 4.04Å; R205-Y222 HydrophobicContact CB-CG 4.14Å; R205-Y222 HydrophobicContact CG-CD1 4.16Å; R205-Y222 HydrophobicContact CG-CD2 3.77Å; R205-Y222 HydrophobicContact CG-CE1 4.41Å; R205-Y222 HydrophobicContact CG-CE2 4.06Å; R205-Y222 HydrophobicContact CG-CG 3.82Å; R205-Y222 PolarHBondContact N-OH 2.96Å; Y222-G224 PolarHBondContact O-N 3.41Å; Y222-L227 WeakPolarHBondContact CE1-O 3.49Å; Y222-V229 HydrophobicContact CD1-CG1 4.45Å; Y222-V229 HydrophobicContact CE1-CG1 4.39Å
223P94.5Very high93.3Very high74 Ų7477.5 Ų77.548%0.48141%0.414SS..PPolyproline II helixtrans-62.8125.2179.7-22.733.2000111.9T221 H225 E226T221-P223 WeakPolarHBondContact O-CD 3.02Å; P223-H225 PolarHBondContact O-N 3.4Å; P223-E226 HydrophobicContact CB-CG 4.22Å; P223-E226 WeakPolarHBondContact O-CB 3.45Å; P223-E226 WeakPolarHBondContact O-CG 3.41Å; P223-E226 PolarHBondContact O-N 2.81Å
224G95.3Very high91.3Very high63 Ų6373.4 Ų73.465%0.64941%0.406SS*.THydrogen-bonded Turntrans51.5-114.8173.300000113.5R205 Y222R205-G224 VanDerWaalsContact CZ-O 3.28Å; R205-G224 PolarHBondContact NH1-O 3.05Å; R205-G224 PolarHBondContact NH2-O 2.85Å; Y222-G224 PolarHBondContact O-N 3.41Å
225H95.2Very high89.3Confident167 Ų16771.3 Ų71.377%0.77340%0.401SS*.THydrogen-bonded Turntrans-106.314.9178.954.6-92.8000113.2P223P223-H225 PolarHBondContact O-N 3.4Å
226E97.5Very high87.1Confident56 Ų5672 Ų7226%0.26241%0.407SS..  trans-65.1146.6179.2-67.9-69173.700111.8K38 R205 P223K38-E226 WeakPolarHBondContact CE-OE2 3.43Å; K38-E226 IonicContact NZ-OE1 3.77Å; K38-E226 PolarHBondContact NZ-OE1 2.94Å; K38-E226 IonicContact NZ-OE2 3.28Å; K38-E226 PolarHBondContact NZ-OE2 3.28Å; R205-E226 WeakPolarHBondContact CD-O 3.25Å; R205-E226 PolarHBondContact NH1-O 3.2Å; P223-E226 HydrophobicContact CB-CG 4.22Å; P223-E226 WeakPolarHBondContact O-CB 3.45Å; P223-E226 WeakPolarHBondContact O-CG 3.41Å; P223-E226 PolarHBondContact O-N 2.81Å
227L97.3Very high84.5Confident53 Ų5377.1 Ų77.128%0.27742%0.423SS..SBendtrans-97.7-12.6180-59.5-177.4000113L30 S31 V34 Y222L30-L227 HydrophobicContact CD1-CD1 4.32Å; L30-L227 HydrophobicContact CD2-CD1 3.55Å; L30-L227 HydrophobicContact CG-CD1 3.61Å; S31-L227 WeakPolarHBondContact CB-O 3.49Å; S31-L227 PolarHBondContact OG-O 2.99Å; S31-L227 VanDerWaalsContact OG-O 3.12Å; V34-L227 HydrophobicContact CG2-CD1 4.17Å; Y222-L227 WeakPolarHBondContact CE1-O 3.49Å
228C98Very high84.1Confident4 Ų479.8 Ų79.83%0.02744%0.438CS..EExtended strand (participates in β ladder)trans-142.1158.4174.961.10000110.1A35 F201 L202A35-C228 HydrophobicContact CB-CB 4.04Å; F201-C228 HydrophobicContact CD1-CB 4.17Å; L202-C228 CarbonylContact O-C 3.58Å; L202-C228 WeakPolarHBondContact O-CA 3.36Å; L202-C228 WeakPolarHBondContact O-CB 3.49Å
229V97.4Very high83.7Confident19 Ų1973.9 Ų73.912%0.11542%0.417CS..EExtended strand (participates in β ladder)trans-131.3131.2175.757.90000109.2F201 L202 P220 Y222 L231F201-V229 CarbonylContact C-O 3.58Å; F201-V229 VanDerWaalsContact CA-O 3.27Å; F201-V229 WeakPolarHBondContact CA-O 3.26Å; L202-V229 HydrophobicContact CB-CG1 3.77Å; L202-V229 HydrophobicContact CD2-CG1 4.27Å; L202-V229 HydrophobicContact CG-CG1 4.36Å; L202-V229 PolarHBondContact N-O 2.63Å; L202-V229 PolarHBondContact O-N 3.22Å; P220-V229 HydrophobicContact CG-CG1 3.78Å; Y222-V229 HydrophobicContact CD1-CG1 4.45Å; Y222-V229 HydrophobicContact CE1-CG1 4.39Å; V229-L231 HydrophobicContact CG1-CD2 4.31Å; V229-L231 PolarHBondContact O-N 2.84Å
230L97.3Very high83.2Confident81 Ų8176.1 Ų76.142%0.42443%0.43SS..EExtended strand (participates in β ladder)trans-72.4122.9172.7-174.472.8000107.9Y199 H200 F201Y199-L230 HydrophobicContact CD1-CD1 4.44Å; H200-L230 WeakPolarHBondContact O-CD1 3.5Å; F201-L230 HydrophobicContact CD1-CB 4.1Å; F201-L230 HydrophobicContact CD1-CD1 4.28Å; F201-L230 HydrophobicContact CD2-CD1 4.1Å; F201-L230 HydrophobicContact CE1-CB 3.74Å; F201-L230 HydrophobicContact CE1-CD1 3.9Å; F201-L230 HydrophobicContact CE1-CG 4.43Å; F201-L230 HydrophobicContact CE2-CD1 3.72Å; F201-L230 HydrophobicContact CG-CD1 4.37Å; F201-L230 HydrophobicContact CZ-CB 4.25Å; F201-L230 HydrophobicContact CZ-CD1 3.61Å; F201-L230 HydrophobicContact CZ-CG 4.49Å
231L96.2Very high82.6Confident12 Ų1277.8 Ų77.86%0.06344%0.438CS..PPolyproline II helixtrans-83.7135.3175.1-56-179000108.8P188 H200 L202 P220 V229P188-L231 HydrophobicContact CG-CD1 3.71Å; H200-L231 HydrophobicContact CB-CB 4.36Å; H200-L231 PolarHBondContact O-N 3.07Å; L202-L231 HydrophobicContact CB-CD1 4.14Å; L202-L231 HydrophobicContact CB-CD2 3.92Å; L202-L231 HydrophobicContact CB-CG 4.18Å; P220-L231 HydrophobicContact CG-CD2 3.59Å; V229-L231 HydrophobicContact CG1-CD2 4.31Å; V229-L231 PolarHBondContact O-N 2.84Å
232N81.8Confident82Confident97 Ų9774.7 Ų74.752%0.51942%0.416SS..PPolyproline II helixtrans-81.3150.2172.8-65.6-46.5000109.2S234 D235N232-S234 PolarHBondContact O-N 3.32Å; N232-D235 PolarHBondContact N-OD2 3.04Å; N232-D235 WeakPolarHBondContact O-CB 3.45Å; N232-D235 PolarHBondContact O-N 3.32Å
233S64.2Low81.1Confident102 Ų10278 Ų7871%0.71344%0.437SS*.THydrogen-bonded Turntrans-55.8-12.5175.762.70000115.3
234S54.5Low80.1Confident77 Ų7778.3 Ų78.354%0.53843%0.434SS..THydrogen-bonded Turntrans-83.7-21.5171.950.20000114.3N232N232-S234 PolarHBondContact O-N 3.32Å
235D55.5Low79Confident88 Ų8879.5 Ų79.547%0.47142%0.418SS..THydrogen-bonded Turntrans-82.2-19.9-172.8-58.1-25.4000112.1N232N232-D235 PolarHBondContact N-OD2 3.04Å; N232-D235 WeakPolarHBondContact O-CB 3.45Å; N232-D235 PolarHBondContact O-N 3.32Å
236D51.1Low77.6Confident42 Ų4272.2 Ų72.223%0.22539%0.388CS..THydrogen-bonded Turntrans-97.4-0.2-179.1-63.4-62.1000114.9H200H200-D236 VanDerWaalsContact CE1-CG 3.47Å; H200-D236 IonicContact CE1-OD1 2.62Å; H200-D236 PolarHBondContact CE1-OD1 3.29Å; H200-D236 VanDerWaalsContact CE1-OD1 3.24Å; H200-D236 IonicContact CE1-OD2 2.91Å; H200-D236 PolarHBondContact CE1-OD2 3.09Å; H200-D236 VanDerWaalsContact CE1-OD2 3.28Å; H200-D236 IonicContact ND1-OD1 2.93Å; H200-D236 IonicContact ND1-OD2 3.84Å; H200-D236 PolarHBondContact ND1-OD2 2.93Å
237K40.5Very low75.8Confident235 Ų23573.6 Ų73.6100%1.02240%0.399SS*.  trans-106.80-179.2-69.5-176.6-177.8176.10112.2

Retrieved 237 of 237 residues in 99.4 ms (Link to these results)

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