A0A087X3Z7_POEFO Loading...

Alpha-galactosidase

Catalyzes the hydrolysis of glycosphingolipids and participates in their degradation in the lysosome.

AlphaFold DB , UniProt , Accession A0A087X3Z7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M38.8Very low41Very low252 Ų252173.5 Ų173.5100%1.24191%0.908SS**  0124.80-69.1168.213600106.8
2S39.9Very low41.3Very low115 Ų115167.3 Ų167.380%0.80489%0.89SS**  cis-153147.5-3.5-1760000106.9M4S2-M4 PolarHBondContact O-N 3.22Å
3K38.8Very low41.5Very low202 Ų202167.2 Ų167.288%0.87889%0.889SS**  trans-54117.5173.8-64163.8170.6178.80110.4
4M41Very low41.1Very low183 Ų183167.4 Ų167.490%0.90189%0.888SS**  trans-157.658.6162.3-144.5146.283.400111.6S2S2-M4 PolarHBondContact O-N 3.22Å
5L44.5Very low40.9Very low164 Ų164166.3 Ų166.386%0.85988%0.883SS**  trans-150.472.8172.7-14990.3000109.2
6L42.4Very low40.6Very low169 Ų169162.9 Ų162.989%0.88587%0.873SS**  trans176.181159.9-121.487000108.6
7L37.5Very low41Very low176 Ų176158.5 Ų158.592%0.92187%0.865SS**  trans-171.667.6162.2-116.8127.3000109.6
8L41.4Very low41.7Very low174 Ų174152.4 Ų152.491%0.91183%0.833SS**  trans-151.531.5172.2-111150.3000112.4
9V47.2Very low42.6Very low130 Ų130152.8 Ų152.879%0.78883%0.829SS**SBendtrans-133.7133.5169.4-175.20000106.8
10L42Very low44Very low155 Ų155146.2 Ų146.281%0.81280%0.796SS**  trans84.869.1-172.2-66.5112.5000116.8
11L37.8Very low45.9Very low188 Ų188140.6 Ų140.698%0.98477%0.765SS**  trans-142.938.5150.2-110.1138.7000111
12S44.9Very low48Very low99 Ų99136 Ų13669%0.69275%0.745SS**SBendtrans-130.4129.9167.2430000107.4
13L43.1Very low50.5Low167 Ų167132.5 Ų132.587%0.87472%0.718SS**  trans96.558.9-178-51.2167.2000116.4
14L36.8Very low53.1Low169 Ų169125.1 Ų125.189%0.88570%0.699SS**  trans-132.874.9141.4-74.9171000107P16L14-P16 WeakPolarHBondContact O-CD 3.27Å
15N37Very low55.8Low151 Ų151118.1 Ų118.181%0.80767%0.665SS**  trans-67120.1146.9-83.6-22.1000103.8A17N15-A17 VanDerWaalsContact C-N 3.27Å; N15-A17 PolarHBondContact O-N 3.29Å
16P37.3Very low58.3Low112 Ų112110.9 Ų110.973%0.72763%0.629SS**  trans-59.9104166.125.8-29.3000105.2L14 V18L14-P16 WeakPolarHBondContact O-CD 3.27Å; P16-V18 VanDerWaalsContact C-N 3.31Å; P16-V18 PolarHBondContact O-N 2.95Å
17A46.8Very low61Low88 Ų88108 Ų10873%0.72761%0.614SS**  trans-62.6107.7162.100000103.7N15 E19N15-A17 VanDerWaalsContact C-N 3.27Å; N15-A17 PolarHBondContact O-N 3.29Å; A17-E19 PolarHBondContact O-N 2.94Å; A17-E19 VanDerWaalsContact O-N 3.12Å
18V54.3Low63.9Low50 Ų50104.1 Ų104.130%0.30359%0.589SS.*PPolyproline II helixtrans-61.7117.4175175.80000106.8P16 T205 R208P16-V18 VanDerWaalsContact C-N 3.31Å; P16-V18 PolarHBondContact O-N 2.95Å; V18-T205 HydrophobicContact CB-CG2 4.48Å; V18-T205 HydrophobicContact CG1-CG2 3.59Å; V18-T205 HydrophobicContact CG2-CG2 4.05Å; V18-R208 HydrophobicContact CG1-CB 4.31Å; V18-R208 HydrophobicContact CG1-CG 4.2Å; V18-R208 PolarHBondContact O-NE 3.41Å; V18-R208 VanDerWaalsContact O-NE 3.09Å
19E58.7Low66.6Low160 Ų16095.9 Ų95.975%0.74855%0.546SS*.PPolyproline II helixtrans-68.9132.9177.6-66.5-173167.500108.7A17 E209A17-E19 PolarHBondContact O-N 2.94Å; A17-E19 VanDerWaalsContact O-N 3.12Å; E19-E209 WeakPolarHBondContact O-CG 3.3Å
20A70.6Confident69.1Low20 Ų2090 Ų9017%0.16551%0.511CS..PPolyproline II helixtrans-75.5170.9171.600000110.8D22 R208A20-D22 PolarHBondContact O-N 2.89Å; A20-R208 CarbonylContact C-O 3.57Å; A20-R208 WeakPolarHBondContact CA-O 3.44Å; A20-R208 HydrophobicContact CB-CG 3.95Å
21L82.4Confident71.8Confident29 Ų2982.9 Ų82.915%0.15247%0.474CS..  trans-48.8104.5159.5-179.569.5000108.9N23 R208 T210L21-N23 HydrophobicContact CD2-CB 4.38Å; L21-N23 WeakPolarHBondContact CD2-ND2 3.32Å; L21-N23 HydrophobicContact CG-CB 4.2Å; L21-N23 PolarHBondContact O-N 2.74Å; L21-R208 PolarHBondContact N-O 3.22Å; L21-T210 WeakPolarHBondContact CD2-O 3.4Å
22D84.5Confident74.7Confident155 Ų15574 Ų7483%0.82943%0.427SS*.  trans-85.662.7-176.7-168.921.3000110.8A20A20-D22 PolarHBondContact O-N 2.89Å
23N91.4Very high77.3Confident41 Ų4169.2 Ų69.222%0.21939%0.394CS..SBendtrans-95.66.817468.6-5000112.9L21 L25 N212L21-N23 HydrophobicContact CD2-CB 4.38Å; L21-N23 WeakPolarHBondContact CD2-ND2 3.32Å; L21-N23 HydrophobicContact CG-CB 4.2Å; L21-N23 PolarHBondContact O-N 2.74Å; N23-L25 PolarHBondContact O-N 3.02Å; N23-L25 WeakPolarHBondContact OD1-CB 3.43Å; N23-L25 PolarHBondContact OD1-N 3.2Å; N23-L25 VanDerWaalsContact OD1-N 3.16Å; N23-N212 PolarHBondContact ND2-OD1 3.35Å; N23-N212 PolarHBondContact OD1-ND2 3.05Å
24G94Very high79.9Confident47 Ų4761.7 Ų61.749%0.48535%0.354SS..SBendtrans70.86.7-17900000115.4
25L97.6Very high82.9Confident36 Ų3653.6 Ų53.619%0.18831%0.312CS..  trans-103.5170.5179.9-58.7179.5000111.8N23 L27 L187N23-L25 PolarHBondContact O-N 3.02Å; N23-L25 WeakPolarHBondContact OD1-CB 3.43Å; N23-L25 PolarHBondContact OD1-N 3.2Å; N23-L25 VanDerWaalsContact OD1-N 3.16Å; L25-L27 PolarHBondContact O-N 3.07Å; L25-L187 HydrophobicContact CD1-CB 4.04Å
26A97.5Very high85.8Confident13 Ų1348.4 Ų48.411%0.10728%0.281CS..  trans5035.617800000113.6K28 L187 N212 G248 W250A26-K28 CarbonylContact C-O 3.59Å; A26-K28 VanDerWaalsContact C-O 3.28Å; A26-K28 WeakPolarHBondContact CA-O 3.29Å; A26-K28 PolarHBondContact O-N 3.23Å; A26-K28 VanDerWaalsContact O-N 3.12Å; A26-L187 HydrophobicContact CB-CD1 4.04Å; A26-N212 HydrophobicContact CB-CB 3.85Å; A26-G248 WeakPolarHBondContact O-CA 3.19Å; A26-G248 PolarHBondContact O-N 3.16Å; A26-W250 PolarHBondContact O-NE1 2.99Å
27L97.9Very high88.7Confident107 Ų10744.3 Ų44.356%0.5625%0.252SS*.SBendtrans-63.8-17.1174.9-61.8-177.4000112.4L25 P247L25-L27 PolarHBondContact O-N 3.07Å; L27-P247 HydrophobicContact CD2-CB 4.44Å
28K98.2Very high91.2Very high95 Ų9543.2 Ų43.241%0.41323%0.229SC..SBendtrans-129.9162.1164.7-60.2179.5177.5-170.20108.3A26 T30 W250 Q309A26-K28 CarbonylContact C-O 3.59Å; A26-K28 VanDerWaalsContact C-O 3.28Å; A26-K28 WeakPolarHBondContact CA-O 3.29Å; A26-K28 PolarHBondContact O-N 3.23Å; A26-K28 VanDerWaalsContact O-N 3.12Å; K28-T30 PolarHBondContact O-N 3.2Å; K28-W250 VanDerWaalsContact CA-CZ2 3.49Å; K28-W250 PolarHBondContact O-NE1 3.47Å; K28-Q309 HydrophobicContact CD-CB 4.11Å; K28-Q309 WeakPolarHBondContact CD-O 3.43Å; K28-Q309 VanDerWaalsContact CE-O 3.32Å; K28-Q309 WeakPolarHBondContact CE-O 3.29Å; K28-Q309 PolarHBondContact NZ-O 2.94Å
29P98.8Very high93.3Very high1 Ų141.2 Ų41.21%0.00622%0.216CC..  trans-57.1132.8177.4-22.232.4000111.1W250 A279 A280 Q309P29-W250 HydrophobicContact CB-CD2 4.34Å; P29-W250 HydrophobicContact CG-CD2 3.87Å; P29-W250 HydrophobicContact CG-CE3 3.8Å; P29-W250 HydrophobicContact CG-CH2 4.1Å; P29-W250 HydrophobicContact CG-CZ2 4.16Å; P29-W250 HydrophobicContact CG-CZ3 3.91Å; P29-A279 HydrophobicContact CG-CB 4.25Å; P29-A279 WeakPolarHBondContact CG-O 3.43Å; P29-A280 WeakPolarHBondContact CB-O 3.45Å; P29-Q309 PolarHBondContact O-NE2 2.94Å
30T98.9Very high95.2Very high6 Ų639 Ų394%0.03721%0.207CC..  trans-57138.6-179.1-45.90000110.9K28 Y77 L155 L187 H213 P281 L282 L283K28-T30 PolarHBondContact O-N 3.2Å; T30-Y77 HydrophobicContact CG2-CD2 3.44Å; T30-Y77 VanDerWaalsContact CG2-CD2 3.44Å; T30-Y77 HydrophobicContact CG2-CE2 3.55Å; T30-Y77 HydrophobicContact CG2-CG 4.11Å; T30-L155 HydrophobicContact CG2-CD1 4.05Å; T30-L187 HydrophobicContact CG2-CD1 3.98Å; T30-L187 WeakPolarHBondContact OG1-CD1 3.41Å; T30-H213 PolarHBondContact OG1-CD2 2.65Å; T30-H213 VanDerWaalsContact OG1-CD2 3.26Å; T30-H213 PolarHBondContact OG1-NE2 2.91Å; T30-H213 VanDerWaalsContact OG1-NE2 3.14Å; T30-P281 CarbonylContact O-C 3.51Å; T30-P281 WeakPolarHBondContact O-CA 3.4Å; T30-L282 PolarHBondContact O-N 3.43Å; T30-L283 HydrophobicContact CG2-CD2 4.41Å
31M98.9Very high96.6Very high7 Ų740.3 Ų40.33%0.03422%0.215CC..EExtended strand (participates in β ladder)trans-123.6130.2175.5-63-175.255.800110.3G74 Y75 E76 Y77 L282 I305 Q309M31-G74 WeakPolarHBondContact CB-O 3.17Å; M31-Y75 HydrophobicContact CB-CD1 4.06Å; M31-Y75 HydrophobicContact CB-CG 4.49Å; M31-Y75 HydrophobicContact CE-CD1 4.03Å; M31-Y75 HydrophobicContact CE-CD2 3.89Å; M31-Y75 HydrophobicContact CE-CE1 3.88Å; M31-Y75 HydrophobicContact CE-CE2 3.73Å; M31-Y75 HydrophobicContact CE-CG 4.04Å; M31-E76 PolarHBondContact O-N 3Å; M31-Y77 WeakPolarHBondContact O-CD2 3.21Å; M31-Y77 PolarHBondContact O-N 2.93Å; M31-L282 WeakPolarHBondContact CA-O 3.49Å; M31-L282 HydrophobicContact CE-CD1 4.05Å; M31-L282 HydrophobicContact CG-CB 4.07Å; M31-L282 HydrophobicContact CG-CD1 4.38Å; M31-L282 HydrophobicContact CG-CG 4.4Å; M31-L282 HydrophobicContact SD-CD1 4.28Å; M31-I305 HydrophobicContact CE-CD1 4.13Å; M31-I305 HydrophobicContact CE-CG1 4.13Å; M31-I305 HydrophobicContact CE-CG2 3.94Å; M31-I305 HydrophobicContact SD-CG2 3.95Å; M31-Q309 VanDerWaalsContact SD-CD 3.57Å; M31-Q309 HydrophobicContact SD-CG 3.69Å
32G98.9Very high97.4Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-175.5-158.9-177.600000113.9Y75 Y77 L282 L283 M284G32-Y75 WeakPolarHBondContact O-CD1 3.43Å; G32-Y77 CarbonylContact C-O 3.54Å; G32-Y77 WeakPolarHBondContact CA-O 3.46Å; G32-L282 PolarHBondContact N-O 2.75Å; G32-L283 WeakPolarHBondContact O-CA 3.45Å; G32-M284 PolarHBondContact O-N 3.06Å
33W98.9Very high98Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans-130.4135177.4179.995.4000109.2H35 F39 Y58 M61 M65 Y77 V78 C79 M284 N286 L288W33-H35 HydrophobicContact CH2-CB 3.31Å; W33-H35 HydrophobicContact CZ2-CB 4.09Å; W33-H35 HydrophobicContact CZ3-CB 3.67Å; W33-F39 HydrophobicContact CH2-CD2 4.23Å; W33-F39 HydrophobicContact CH2-CE2 4.29Å; W33-F39 AromaticContact CZ2-CD2 3.85Å; W33-F39 HydrophobicContact CZ2-CD2 3.85Å; W33-F39 AromaticContact CZ2-CE2 3.56Å; W33-F39 HydrophobicContact CZ2-CE2 3.56Å; W33-Y58 HydrophobicContact CH2-CE1 4.39Å; W33-Y58 AromaticContact CZ3-CD1 3.84Å; W33-Y58 HydrophobicContact CZ3-CD1 3.84Å; W33-Y58 AromaticContact CZ3-CE1 3.81Å; W33-Y58 HydrophobicContact CZ3-CE1 3.81Å; W33-M61 HydrophobicContact CD2-CB 4.38Å; W33-M61 HydrophobicContact CD2-CG 4.35Å; W33-M61 HydrophobicContact CE3-CB 4.38Å; W33-M61 HydrophobicContact CE3-CG 4.46Å; W33-M61 HydrophobicContact CH2-CB 4.46Å; W33-M61 HydrophobicContact CH2-CG 3.74Å; W33-M61 HydrophobicContact CZ2-CB 4.46Å; W33-M61 HydrophobicContact CZ2-CE 4.13Å; W33-M61 HydrophobicContact CZ2-CG 3.6Å; W33-M61 HydrophobicContact CZ2-SD 4.02Å; W33-M61 HydrophobicContact CZ3-CB 4.43Å; W33-M61 HydrophobicContact CZ3-CG 4.18Å; W33-M65 HydrophobicContact CB-SD 3.89Å; W33-Y77 PolarHBondContact N-O 2.69Å; W33-V78 HydrophobicContact CE3-CG1 4.37Å; W33-C79 WeakPolarHBondContact O-CB 3.31Å; W33-C79 PolarHBondContact O-N 2.97Å; W33-M284 CarbonylContact C-O 3.36Å; W33-M284 WeakPolarHBondContact CA-O 3.49Å; W33-N286 PolarHBondContact NE1-O 3.22Å; W33-L288 HydrophobicContact CG-CD1 4.35Å
34L98.9Very high98.4Very high8 Ų837.5 Ų37.54%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-132.4135179.9-179.764.4000108.2W36 C79 D81 K157 M255 L283 M284 S285L34-W36 PolarHBondContact O-N 3.17Å; L34-C79 HydrophobicContact CB-CB 4.2Å; L34-C79 HydrophobicContact CD1-CB 3.38Å; L34-C79 HydrophobicContact CG-CB 4.41Å; L34-D81 HydrophobicContact CD1-CB 3.9Å; L34-D81 WeakPolarHBondContact CD1-OD2 3.33Å; L34-D81 WeakPolarHBondContact CD2-OD2 3.43Å; L34-K157 HydrophobicContact CD2-CD 4.35Å; L34-M255 HydrophobicContact CB-CG 4.37Å; L34-M255 HydrophobicContact CB-SD 4.17Å; L34-M255 HydrophobicContact CD2-CG 3.89Å; L34-M255 HydrophobicContact CD2-SD 3.67Å; L34-M255 HydrophobicContact CG-SD 3.95Å; L34-L283 HydrophobicContact CB-CB 4.47Å; L34-M284 PolarHBondContact N-O 3Å; L34-S285 WeakPolarHBondContact O-CA 3.34Å; L34-S285 WeakPolarHBondContact O-CB 2.89Å; L34-S285 PolarHBondContact O-OG 3.32Å
35H98.9Very high98.6Very high0 Ų036.6 Ų36.60%019%0.188CC..  trans-79.6-18.3-168.282.4-103000115.4W33 E37 R38 F39 M40 I53 Y58 D81 D82W33-H35 HydrophobicContact CH2-CB 3.31Å; W33-H35 HydrophobicContact CZ2-CB 4.09Å; W33-H35 HydrophobicContact CZ3-CB 3.67Å; H35-E37 PolarHBondContact O-N 3.4Å; H35-R38 PolarHBondContact O-N 3.12Å; H35-F39 HydrophobicContact CB-CB 4.29Å; H35-F39 HydrophobicContact CB-CD2 4.19Å; H35-F39 WeakPolarHBondContact O-CB 3.4Å; H35-F39 PolarHBondContact O-N 3.41Å; H35-M40 PolarHBondContact CD2-O 2.85Å; H35-M40 PolarHBondContact NE2-O 2.8Å; H35-I53 WeakPolarHBondContact CD2-CD1 3.45Å; H35-I53 WeakPolarHBondContact NE2-CD1 3.38Å; H35-Y58 HydrophobicContact CB-CE1 4.32Å; H35-Y58 PolarHBondContact CE1-OH 3.03Å; H35-Y58 AromaticContact ND1-CE1 3.96Å; H35-Y58 AromaticContact ND1-CZ 3.81Å; H35-Y58 PolarHBondContact ND1-OH 3.31Å; H35-D81 VanDerWaalsContact CE1-C 3.45Å; H35-D81 WeakPolarHBondContact CE1-CA 3.23Å; H35-D81 WeakPolarHBondContact CE1-CB 3.01Å; H35-D81 PolarHBondContact CE1-N 3.02Å; H35-D81 WeakPolarHBondContact ND1-CB 3.26Å; H35-D81 PolarHBondContact ND1-N 2.78Å; H35-D82 PolarHBondContact CE1-O 2.87Å
36W98.9Very high98.6Very high42 Ų4240.6 Ų40.616%0.15921%0.21CC..Hα-helixtrans-56.7-53.9-156.7-175.8-119000114.1L34 R38 M40 C41 D81 D82 M255L34-W36 PolarHBondContact O-N 3.17Å; W36-R38 VanDerWaalsContact C-N 3.32Å; W36-R38 PolarHBondContact O-N 3.27Å; W36-M40 WeakPolarHBondContact O-CA 3.13Å; W36-M40 WeakPolarHBondContact O-CG 3.47Å; W36-M40 PolarHBondContact O-N 3.34Å; W36-C41 HydrophobicContact CZ3-CB 4.41Å; W36-D81 HydrophobicContact CB-CB 3.9Å; W36-D81 HydrophobicContact CE3-CB 4.17Å; W36-D82 HydrophobicContact CE3-CB 4.34Å; W36-D82 HydrophobicContact CH2-CB 4.15Å; W36-D82 HydrophobicContact CZ3-CB 3.7Å; W36-M255 HydrophobicContact CB-CE 3.96Å; W36-M255 HydrophobicContact CB-SD 4Å; W36-M255 HydrophobicContact CG-CE 4.34Å
37E98.8Very high98.6Very high26 Ų2645.1 Ų45.112%0.12124%0.236CC..Hα-helixtrans-65.7-36.4-172.5-164.7-80.7156.900112.1H35 V220 D222 M255 V257 N260 S285H35-E37 PolarHBondContact O-N 3.4Å; E37-V220 HydrophobicContact CG-CG1 4.25Å; E37-D222 WeakPolarHBondContact OE1-CA 3.36Å; E37-D222 VanDerWaalsContact OE1-CB 3.23Å; E37-D222 WeakPolarHBondContact OE1-CB 3.29Å; E37-D222 PolarHBondContact OE1-N 2.64Å; E37-M255 HydrophobicContact CB-CE 3.75Å; E37-M255 HydrophobicContact CB-SD 3.96Å; E37-V257 HydrophobicContact CB-CG1 4.38Å; E37-V257 VanDerWaalsContact CD-CG1 3.46Å; E37-V257 HydrophobicContact CG-CG1 3.61Å; E37-N260 PolarHBondContact OE2-ND2 2.87Å; E37-S285 WeakPolarHBondContact CA-OG 3.31Å; E37-S285 VanDerWaalsContact CB-OG 3.29Å; E37-S285 WeakPolarHBondContact CB-OG 3.4Å; E37-S285 PolarHBondContact N-OG 3.49Å; E37-S285 VanDerWaalsContact N-OG 3.09Å
38R98.8Very high98.7Very high65 Ų6542.6 Ų42.625%0.24522%0.223CC..Hα-helixtrans-88.2-39.3-175175.561.2-173.189.72.7113.5H35 W36 S285H35-R38 PolarHBondContact O-N 3.12Å; W36-R38 VanDerWaalsContact C-N 3.32Å; W36-R38 PolarHBondContact O-N 3.27Å; R38-S285 PolarHBondContact N-OG 2.79Å
39F98.8Very high98.6Very high7 Ų740.7 Ų40.73%0.03122%0.221CC..Hα-helixtrans-108.7-19.1-171.6-63.2-85.9000113.1W33 H35 N42 N51 I53 L57 M61 D287W33-F39 HydrophobicContact CH2-CD2 4.23Å; W33-F39 HydrophobicContact CH2-CE2 4.29Å; W33-F39 AromaticContact CZ2-CD2 3.85Å; W33-F39 HydrophobicContact CZ2-CD2 3.85Å; W33-F39 AromaticContact CZ2-CE2 3.56Å; W33-F39 HydrophobicContact CZ2-CE2 3.56Å; H35-F39 HydrophobicContact CB-CB 4.29Å; H35-F39 HydrophobicContact CB-CD2 4.19Å; H35-F39 WeakPolarHBondContact O-CB 3.4Å; H35-F39 PolarHBondContact O-N 3.41Å; F39-N42 WeakPolarHBondContact O-CB 3.46Å; F39-N42 PolarHBondContact O-N 2.93Å; F39-N51 HydrophobicContact CD1-CB 4.04Å; F39-N51 WeakPolarHBondContact CD1-O 3.32Å; F39-N51 HydrophobicContact CE1-CB 4.19Å; F39-I53 HydrophobicContact CB-CD1 3.73Å; F39-L57 HydrophobicContact CB-CD2 4.39Å; F39-L57 HydrophobicContact CD1-CD1 4.16Å; F39-L57 HydrophobicContact CD1-CD2 3.99Å; F39-L57 HydrophobicContact CD2-CD2 4.49Å; F39-L57 HydrophobicContact CE1-CD1 3.77Å; F39-L57 HydrophobicContact CE1-CD2 4.42Å; F39-L57 HydrophobicContact CG-CD2 4.02Å; F39-L57 HydrophobicContact CZ-CD1 4.04Å; F39-M61 HydrophobicContact CE1-CE 4.39Å; F39-M61 HydrophobicContact CE2-CE 3.99Å; F39-M61 HydrophobicContact CZ-CE 3.53Å; F39-D287 HydrophobicContact CZ-CB 3.92Å
40M98.6Very high98.6Very high114 Ų11444.1 Ų44.156%0.56224%0.239SC*.THydrogen-bonded Turntrans47.7-147.5177.3-50.1-168.689.600112.3H35 W36 N42 I53H35-M40 PolarHBondContact CD2-O 2.85Å; H35-M40 PolarHBondContact NE2-O 2.8Å; W36-M40 WeakPolarHBondContact O-CA 3.13Å; W36-M40 WeakPolarHBondContact O-CG 3.47Å; W36-M40 PolarHBondContact O-N 3.34Å; M40-N42 VanDerWaalsContact C-N 3.29Å; M40-N42 PolarHBondContact O-N 3.24Å; M40-I53 WeakPolarHBondContact O-CD1 3.29Å; M40-I53 WeakPolarHBondContact O-CG1 3.32Å
41C98.7Very high98.6Very high48 Ų4845.6 Ų45.632%0.32425%0.247SC..THydrogen-bonded Turntrans-89.742.4176.3-163.90000112.8W36 T43 C83W36-C41 HydrophobicContact CZ3-CB 4.41Å; C41-T43 PolarHBondContact O-N 2.02Å; C41-T43 VanDerWaalsContact O-N 3.09Å; C41-C83 VanDerWaalsContact CA-SG 3.59Å; C41-C83 HydrophobicContact CB-CB 4.04Å; C41-C83 WeakPolarHBondContact CB-SG 3.21Å; C41-C83 WeakPolarHBondContact SG-CB 3.39Å; C41-C83 CovalentContact SG-SG 2.01Å; C41-C83 PolarHBondContact SG-SG 2.86Å
42N98.7Very high98.6Very high39 Ų3945.3 Ų45.321%0.20925%0.245CC..  trans-73.4101.1178.3-1775.7000111F39 M40 D44 D48 C52 I53F39-N42 WeakPolarHBondContact O-CB 3.46Å; F39-N42 PolarHBondContact O-N 2.93Å; M40-N42 VanDerWaalsContact C-N 3.29Å; M40-N42 PolarHBondContact O-N 3.24Å; N42-D44 PolarHBondContact OD1-N 3.36Å; N42-D48 PolarHBondContact ND2-OD2 3.19Å; N42-C52 CarbonylContact O-C 3.47Å; N42-C52 WeakPolarHBondContact O-CA 3.39Å; N42-C52 WeakPolarHBondContact O-CB 3.4Å; N42-I53 WeakPolarHBondContact O-CG1 3.45Å; N42-I53 PolarHBondContact O-N 2.98Å
43T98.6Very high98.6Very high59 Ų5945.3 Ų45.336%0.36225%0.245SC..  trans-102.51.2178.560.50000114C41 C45 C83C41-T43 PolarHBondContact O-N 2.02Å; C41-T43 VanDerWaalsContact O-N 3.09Å; T43-C45 PolarHBondContact O-N 2.98Å; T43-C83 HydrophobicContact CG2-CB 4.17Å
44D98.4Very high98.6Very high67 Ų6745.8 Ų45.836%0.35825%0.249SC..  trans-84.478-178.7-172.5-1.4000111.6N42 D46 T47 D48N42-D44 PolarHBondContact OD1-N 3.36Å; D44-D46 PolarHBondContact O-N 3.33Å; D44-D46 PolarHBondContact OD1-N 3.19Å; D44-D46 VanDerWaalsContact OD1-N 3.14Å; D44-T47 PolarHBondContact OD1-N 3.04Å; D44-T47 VanDerWaalsContact OD1-N 3.07Å; D44-T47 PolarHBondContact OD1-OG1 3.09Å; D44-T47 WeakPolarHBondContact OD2-CB 3.43Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.46Å; D44-T47 PolarHBondContact OD2-OG1 3.1Å; D44-D48 CarbonylContact O-C 3.44Å; D44-D48 WeakPolarHBondContact O-CA 3.35Å; D44-D48 PolarHBondContact O-N 2.94Å
45C98.3Very high98.6Very high28 Ų2847 Ų4719%0.18925%0.254CS..THydrogen-bonded Turntrans-74.5-7.6175.9-61.50000114.4T43 P49 C52T43-C45 PolarHBondContact O-N 2.98Å; C45-P49 WeakPolarHBondContact O-CA 3.31Å; C45-P49 WeakPolarHBondContact O-CB 3.04Å; C45-C52 WeakPolarHBondContact CA-SG 3.35Å; C45-C52 HydrophobicContact CB-CB 3.89Å; C45-C52 WeakPolarHBondContact CB-SG 3.2Å; C45-C52 WeakPolarHBondContact SG-CB 3.36Å; C45-C52 CovalentContact SG-SG 2.02Å; C45-C52 PolarHBondContact SG-SG 3.3Å
46D97.9Very high98.6Very high120 Ų12052.5 Ų52.564%0.64228%0.275SS*.THydrogen-bonded Turntrans-83.2-38179.3-65.5-31.5000110.4D44 K100D44-D46 PolarHBondContact O-N 3.33Å; D44-D46 PolarHBondContact OD1-N 3.19Å; D44-D46 VanDerWaalsContact OD1-N 3.14Å; D46-K100 WeakPolarHBondContact OD1-CE 3.39Å; D46-K100 IonicContact OD1-NZ 2.75Å; D46-K100 PolarHBondContact OD1-NZ 2.68Å; D46-K100 IonicContact OD2-NZ 2.73Å; D46-K100 PolarHBondContact OD2-NZ 3.46Å
47T98.3Very high98.6Very high109 Ų10950.6 Ų50.667%0.66927%0.268SS*.THydrogen-bonded Turntrans-99.8-26.617976.40000113.8D44 P49D44-T47 PolarHBondContact OD1-N 3.04Å; D44-T47 VanDerWaalsContact OD1-N 3.07Å; D44-T47 PolarHBondContact OD1-OG1 3.09Å; D44-T47 WeakPolarHBondContact OD2-CB 3.43Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.46Å; D44-T47 PolarHBondContact OD2-OG1 3.1Å; T47-P49 VanDerWaalsContact C-CD 3.47Å
48D98.4Very high98.6Very high53 Ų5349.4 Ų49.428%0.28326%0.262SS..  trans-13160.2-179.5-166.810.9000112.7N42 D44 D50 N51 C52N42-D48 PolarHBondContact ND2-OD2 3.19Å; D44-D48 CarbonylContact O-C 3.44Å; D44-D48 WeakPolarHBondContact O-CA 3.35Å; D44-D48 PolarHBondContact O-N 2.94Å; D48-D50 PolarHBondContact O-N 3.04Å; D48-D50 VanDerWaalsContact O-N 3.1Å; D48-N51 PolarHBondContact O-N 3.22Å; D48-N51 VanDerWaalsContact O-N 3.16Å; D48-N51 PolarHBondContact OD1-ND2 2.85Å; D48-N51 WeakPolarHBondContact OD2-CB 3.13Å; D48-N51 PolarHBondContact OD2-ND2 2.83Å; D48-C52 WeakPolarHBondContact O-CB 3.08Å; D48-C52 PolarHBondContact O-N 3.04Å
49P97.9Very high98.6Very high56 Ų5649 Ų4936%0.36426%0.264SS..THydrogen-bonded Turntrans-65.6-17-171.327.1-36.8000114.6C45 T47C45-P49 WeakPolarHBondContact O-CA 3.31Å; C45-P49 WeakPolarHBondContact O-CB 3.04Å; T47-P49 VanDerWaalsContact C-CD 3.47Å
50D98Very high98.6Very high73 Ų7351.1 Ų51.139%0.3927%0.274SS..THydrogen-bonded Turntrans-90.9-18.8-179.4-67.7-32.9000112D48 R56 R289D48-D50 PolarHBondContact O-N 3.04Å; D48-D50 VanDerWaalsContact O-N 3.1Å; D50-R56 IonicContact OD1-CZ 3.84Å; D50-R56 VanDerWaalsContact OD1-CZ 3.29Å; D50-R56 IonicContact OD1-NH1 3.32Å; D50-R56 PolarHBondContact OD1-NH1 3.49Å; D50-R56 VanDerWaalsContact OD1-NH1 3.14Å; D50-R56 IonicContact OD1-NH2 3.41Å; D50-R56 PolarHBondContact OD1-NH2 2.92Å; D50-R289 VanDerWaalsContact O-CZ 3.31Å; D50-R289 PolarHBondContact O-NH1 3.16Å; D50-R289 PolarHBondContact O-NH2 3.19Å; D50-R289 VanDerWaalsContact O-NH2 3.1Å
51N98.4Very high98.6Very high36 Ų3645.7 Ų45.719%0.19325%0.247CC..THydrogen-bonded Turntrans-119.5-8.1-178.9-52.6-60.5000113.8F39 D48 R289F39-N51 HydrophobicContact CD1-CB 4.04Å; F39-N51 WeakPolarHBondContact CD1-O 3.32Å; F39-N51 HydrophobicContact CE1-CB 4.19Å; D48-N51 PolarHBondContact O-N 3.22Å; D48-N51 VanDerWaalsContact O-N 3.16Å; D48-N51 PolarHBondContact OD1-ND2 2.85Å; D48-N51 WeakPolarHBondContact OD2-CB 3.13Å; D48-N51 PolarHBondContact OD2-ND2 2.83Å; N51-R289 PolarHBondContact OD1-NH2 3.33Å
52C98.8Very high98.6Very high1 Ų143.4 Ų43.41%0.00723%0.232CC..SBendtrans-66.3149176.178.30000112.2N42 C45 D48 S54N42-C52 CarbonylContact O-C 3.47Å; N42-C52 WeakPolarHBondContact O-CA 3.39Å; N42-C52 WeakPolarHBondContact O-CB 3.4Å; C45-C52 WeakPolarHBondContact CA-SG 3.35Å; C45-C52 HydrophobicContact CB-CB 3.89Å; C45-C52 WeakPolarHBondContact CB-SG 3.2Å; C45-C52 WeakPolarHBondContact SG-CB 3.36Å; C45-C52 CovalentContact SG-SG 2.02Å; C45-C52 PolarHBondContact SG-SG 3.3Å; D48-C52 WeakPolarHBondContact O-CB 3.08Å; D48-C52 PolarHBondContact O-N 3.04Å; C52-S54 PolarHBondContact O-N 2.93Å; C52-S54 PolarHBondContact O-OG 3.39Å
53I98.8Very high98.6Very high0 Ų044.2 Ų44.20%024%0.236CC..SBendtrans-68.396.9177.1-56.2-44.7000109.3H35 F39 M40 N42 L57 Y58 R101 F102H35-I53 WeakPolarHBondContact CD2-CD1 3.45Å; H35-I53 WeakPolarHBondContact NE2-CD1 3.38Å; F39-I53 HydrophobicContact CB-CD1 3.73Å; M40-I53 WeakPolarHBondContact O-CD1 3.29Å; M40-I53 WeakPolarHBondContact O-CG1 3.32Å; N42-I53 WeakPolarHBondContact O-CG1 3.45Å; N42-I53 PolarHBondContact O-N 2.98Å; I53-L57 HydrophobicContact CD1-CD2 4.01Å; I53-Y58 HydrophobicContact CG2-CE2 4.28Å; I53-Y58 WeakPolarHBondContact CG2-OH 3.44Å; I53-R101 WeakPolarHBondContact O-CB 3.46Å; I53-R101 WeakPolarHBondContact O-CD 3.21Å; I53-R101 PolarHBondContact O-NH1 3.16Å; I53-F102 HydrophobicContact CG2-CE2 4.36Å; I53-F102 HydrophobicContact CG2-CZ 4.09Å
54S98.9Very high98.6Very high10 Ų1042.7 Ų42.77%0.0723%0.225CC..SBendtrans-147.1159.5-173.563.10000111.4C52 R56 L57 Y58 R101C52-S54 PolarHBondContact O-N 2.93Å; C52-S54 PolarHBondContact O-OG 3.39Å; S54-R56 PolarHBondContact O-N 2.83Å; S54-R56 VanDerWaalsContact O-N 3.13Å; S54-L57 WeakPolarHBondContact O-CB 3.32Å; S54-L57 PolarHBondContact O-N 2.78Å; S54-Y58 WeakPolarHBondContact O-CD2 3.47Å; S54-R101 CarbonylContact C-O 3.56Å; S54-R101 VanDerWaalsContact CA-O 3.28Å; S54-R101 WeakPolarHBondContact CA-O 3.47Å; S54-R101 WeakPolarHBondContact CB-O 3.41Å
55E98.8Very high98.6Very high34 Ų3439.5 Ų39.516%0.15921%0.208CC..Hα-helixtrans-55.3-34176.868.8179.7-140.500112.2L57 Y58 M59 R101 F102 P103 G104E55-L57 VanDerWaalsContact C-N 3.35Å; E55-L57 PolarHBondContact O-N 2.68Å; E55-Y58 PolarHBondContact O-N 3.04Å; E55-M59 VanDerWaalsContact O-CG 3.25Å; E55-M59 WeakPolarHBondContact O-CG 3.39Å; E55-M59 PolarHBondContact O-N 2.92Å; E55-R101 PolarHBondContact N-O 2.95Å; E55-F102 HydrophobicContact CB-CB 4.49Å; E55-F102 HydrophobicContact CB-CD1 3.8Å; E55-F102 HydrophobicContact CB-CE1 4.49Å; E55-F102 HydrophobicContact CB-CG 4.41Å; E55-F102 WeakPolarHBondContact OE2-CA 3.39Å; E55-P103 VanDerWaalsContact CD-CD 3.48Å; E55-P103 WeakPolarHBondContact OE2-CD 3.4Å; E55-P103 VanDerWaalsContact OE2-N 3.13Å; E55-G104 WeakPolarHBondContact OE2-CA 3.46Å; E55-G104 PolarHBondContact OE2-N 2.96Å
56R98.8Very high98.7Very high116 Ų11640 Ų4044%0.43821%0.21SC..Hα-helixtrans-61.6-41.6178.8-179.7178.6171.4-145-9.5111.6D50 S54 M59 Q60D50-R56 IonicContact OD1-CZ 3.84Å; D50-R56 VanDerWaalsContact OD1-CZ 3.29Å; D50-R56 IonicContact OD1-NH1 3.32Å; D50-R56 PolarHBondContact OD1-NH1 3.49Å; D50-R56 VanDerWaalsContact OD1-NH1 3.14Å; D50-R56 IonicContact OD1-NH2 3.41Å; D50-R56 PolarHBondContact OD1-NH2 2.92Å; S54-R56 PolarHBondContact O-N 2.83Å; S54-R56 VanDerWaalsContact O-N 3.13Å; R56-M59 PolarHBondContact O-N 3.2Å; R56-Q60 WeakPolarHBondContact O-CG 3.21Å; R56-Q60 PolarHBondContact O-N 2.86Å
57L98.9Very high98.7Very high2 Ų242 Ų421%0.0121%0.213CC..Hα-helixtrans-58.4-52.3178.1179.665.1000110.4F39 I53 S54 E55 M59 Q60 M61F39-L57 HydrophobicContact CB-CD2 4.39Å; F39-L57 HydrophobicContact CD1-CD1 4.16Å; F39-L57 HydrophobicContact CD1-CD2 3.99Å; F39-L57 HydrophobicContact CD2-CD2 4.49Å; F39-L57 HydrophobicContact CE1-CD1 3.77Å; F39-L57 HydrophobicContact CE1-CD2 4.42Å; F39-L57 HydrophobicContact CG-CD2 4.02Å; F39-L57 HydrophobicContact CZ-CD1 4.04Å; I53-L57 HydrophobicContact CD1-CD2 4.01Å; S54-L57 WeakPolarHBondContact O-CB 3.32Å; S54-L57 PolarHBondContact O-N 2.78Å; E55-L57 VanDerWaalsContact C-N 3.35Å; E55-L57 PolarHBondContact O-N 2.68Å; L57-M59 PolarHBondContact O-N 3.38Å; L57-Q60 PolarHBondContact O-N 2.84Å; L57-M61 HydrophobicContact CD1-CE 3.54Å; L57-M61 WeakPolarHBondContact O-CG 3.49Å; L57-M61 PolarHBondContact O-N 3.45Å
58Y98.9Very high98.7Very high0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-66.4-36.8-178.2-59.3-76.4000112.9W33 H35 I53 S54 E55 M61 A62 V78 I80 F102 L109W33-Y58 HydrophobicContact CH2-CE1 4.39Å; W33-Y58 AromaticContact CZ3-CD1 3.84Å; W33-Y58 HydrophobicContact CZ3-CD1 3.84Å; W33-Y58 AromaticContact CZ3-CE1 3.81Å; W33-Y58 HydrophobicContact CZ3-CE1 3.81Å; H35-Y58 HydrophobicContact CB-CE1 4.32Å; H35-Y58 PolarHBondContact CE1-OH 3.03Å; H35-Y58 AromaticContact ND1-CE1 3.96Å; H35-Y58 AromaticContact ND1-CZ 3.81Å; H35-Y58 PolarHBondContact ND1-OH 3.31Å; I53-Y58 HydrophobicContact CG2-CE2 4.28Å; I53-Y58 WeakPolarHBondContact CG2-OH 3.44Å; S54-Y58 WeakPolarHBondContact O-CD2 3.47Å; E55-Y58 PolarHBondContact O-N 3.04Å; Y58-M61 PolarHBondContact O-N 3Å; Y58-A62 WeakPolarHBondContact O-CB 3.42Å; Y58-A62 PolarHBondContact O-N 3.41Å; Y58-V78 HydrophobicContact CD1-CG1 4.12Å; Y58-I80 HydrophobicContact CD1-CG1 3.89Å; Y58-I80 HydrophobicContact CD2-CG1 4.27Å; Y58-I80 HydrophobicContact CE1-CB 4.12Å; Y58-I80 HydrophobicContact CE1-CG1 3.64Å; Y58-I80 HydrophobicContact CE1-CG2 4.49Å; Y58-I80 HydrophobicContact CE2-CG1 4.05Å; Y58-I80 HydrophobicContact CE2-CG2 4.44Å; Y58-I80 HydrophobicContact CG-CG1 4.21Å; Y58-F102 AromaticContact CD2-CE1 3.85Å; Y58-F102 HydrophobicContact CD2-CE1 3.85Å; Y58-F102 HydrophobicContact CD2-CZ 4.3Å; Y58-F102 AromaticContact CE2-CE1 3.71Å; Y58-F102 HydrophobicContact CE2-CE1 3.71Å; Y58-F102 AromaticContact CE2-CZ 3.7Å; Y58-F102 HydrophobicContact CE2-CZ 3.7Å; Y58-L109 HydrophobicContact CD2-CD2 4.16Å; Y58-L109 HydrophobicContact CG-CD2 4.27Å
59M98.9Very high98.7Very high58 Ų5837.2 Ų37.229%0.28619%0.189SC..Hα-helixtrans-62-43.1173.4-69.2175.171.900111.6E55 R56 L57 A62 D63 L109 Y112E55-M59 VanDerWaalsContact O-CG 3.25Å; E55-M59 WeakPolarHBondContact O-CG 3.39Å; E55-M59 PolarHBondContact O-N 2.92Å; R56-M59 PolarHBondContact O-N 3.2Å; L57-M59 PolarHBondContact O-N 3.38Å; M59-A62 PolarHBondContact O-N 2.82Å; M59-D63 PolarHBondContact O-N 3.43Å; M59-L109 HydrophobicContact CG-CD1 3.79Å; M59-Y112 HydrophobicContact CB-CD1 3.99Å; M59-Y112 HydrophobicContact CB-CE1 3.66Å; M59-Y112 HydrophobicContact CE-CD1 4.14Å; M59-Y112 HydrophobicContact CE-CD2 3.68Å; M59-Y112 HydrophobicContact CE-CE1 4.04Å; M59-Y112 HydrophobicContact CE-CE2 3.57Å; M59-Y112 HydrophobicContact CE-CG 3.95Å; M59-Y112 HydrophobicContact CG-CD1 3.63Å; M59-Y112 HydrophobicContact CG-CE1 3.82Å; M59-Y112 HydrophobicContact CG-CG 4.13Å
60Q98.8Very high98.7Very high50 Ų5034.6 Ų34.623%0.23417%0.171CC..Hα-helixtrans-64.8-42.7176.3-74.1-178.2-28.300112R56 L57 D63 M64R56-Q60 WeakPolarHBondContact O-CG 3.21Å; R56-Q60 PolarHBondContact O-N 2.86Å; L57-Q60 PolarHBondContact O-N 2.84Å; Q60-D63 PolarHBondContact O-N 3.05Å; Q60-M64 WeakPolarHBondContact O-CG 3.32Å; Q60-M64 PolarHBondContact O-N 3.36Å
61M98.9Very high98.8Very high0 Ų035.3 Ų35.30%017%0.169CC..Hα-helixtrans-65-40.4176.9-63-56.3167.600111.4W33 F39 L57 Y58 D63 M64 M65 L288 R289W33-M61 HydrophobicContact CD2-CB 4.38Å; W33-M61 HydrophobicContact CD2-CG 4.35Å; W33-M61 HydrophobicContact CE3-CB 4.38Å; W33-M61 HydrophobicContact CE3-CG 4.46Å; W33-M61 HydrophobicContact CH2-CB 4.46Å; W33-M61 HydrophobicContact CH2-CG 3.74Å; W33-M61 HydrophobicContact CZ2-CB 4.46Å; W33-M61 HydrophobicContact CZ2-CE 4.13Å; W33-M61 HydrophobicContact CZ2-CG 3.6Å; W33-M61 HydrophobicContact CZ2-SD 4.02Å; W33-M61 HydrophobicContact CZ3-CB 4.43Å; W33-M61 HydrophobicContact CZ3-CG 4.18Å; F39-M61 HydrophobicContact CE1-CE 4.39Å; F39-M61 HydrophobicContact CE2-CE 3.99Å; F39-M61 HydrophobicContact CZ-CE 3.53Å; L57-M61 HydrophobicContact CD1-CE 3.54Å; L57-M61 WeakPolarHBondContact O-CG 3.49Å; L57-M61 PolarHBondContact O-N 3.45Å; Y58-M61 PolarHBondContact O-N 3Å; M61-D63 VanDerWaalsContact C-N 3.34Å; M61-D63 PolarHBondContact O-N 3.07Å; M61-M64 PolarHBondContact O-N 2.88Å; M61-M65 WeakPolarHBondContact O-CB 3.33Å; M61-M65 VanDerWaalsContact O-CG 3.27Å; M61-M65 WeakPolarHBondContact O-CG 3.17Å; M61-M65 PolarHBondContact O-N 2.77Å; M61-L288 HydrophobicContact SD-CB 3.86Å; M61-L288 HydrophobicContact SD-CD1 4.4Å; M61-L288 HydrophobicContact SD-CG 4.12Å; M61-R289 HydrophobicContact CE-CG 4.32Å
62A98.9Very high98.8Very high0 Ų038.2 Ų38.20%018%0.181CC..Hα-helixtrans-60.9-41.8173.300000112.2Y58 M59 M65 V66 V78 Y112 V113 L118Y58-A62 WeakPolarHBondContact O-CB 3.42Å; Y58-A62 PolarHBondContact O-N 3.41Å; M59-A62 PolarHBondContact O-N 2.82Å; A62-M65 PolarHBondContact O-N 3.34Å; A62-V66 PolarHBondContact O-N 3.41Å; A62-V78 HydrophobicContact CB-CG2 4.14Å; A62-Y112 HydrophobicContact CB-CE1 4.45Å; A62-V113 HydrophobicContact CB-CG2 4.23Å; A62-L118 HydrophobicContact CB-CD1 3.94Å
63D98.9Very high98.8Very high56 Ų5638.9 Ų38.930%0.29919%0.187SC..Hα-helixtrans-63.3-45.3175.2-76.8-33.8000112M59 Q60 M61 V66 K67 Y112 K116M59-D63 PolarHBondContact O-N 3.43Å; Q60-D63 PolarHBondContact O-N 3.05Å; M61-D63 VanDerWaalsContact C-N 3.34Å; M61-D63 PolarHBondContact O-N 3.07Å; D63-V66 PolarHBondContact O-N 3.35Å; D63-K67 WeakPolarHBondContact O-CB 3.35Å; D63-K67 PolarHBondContact O-N 3.1Å; D63-Y112 PolarHBondContact OD1-OH 2.94Å; D63-Y112 PolarHBondContact OD2-OH 2.95Å; D63-K116 VanDerWaalsContact OD1-CE 3.24Å; D63-K116 WeakPolarHBondContact OD1-CE 3.41Å; D63-K116 IonicContact OD1-NZ 3.8Å; D63-K116 PolarHBondContact OD1-NZ 3.45Å
64M98.8Very high98.8Very high27 Ų2740.4 Ų40.413%0.13320%0.202CC..Hα-helixtrans-63.6-42176-68.5-51.7-66.100111Q60 M61 V66 K67 D68 L288 R289Q60-M64 WeakPolarHBondContact O-CG 3.32Å; Q60-M64 PolarHBondContact O-N 3.36Å; M61-M64 PolarHBondContact O-N 2.88Å; M64-V66 PolarHBondContact O-N 2.78Å; M64-K67 PolarHBondContact O-N 2.98Å; M64-K67 HydrophobicContact SD-CD 4.27Å; M64-D68 HydrophobicContact CE-CB 4.38Å; M64-D68 VanDerWaalsContact CE-CG 3.49Å; M64-D68 VanDerWaalsContact O-CB 3.29Å; M64-D68 WeakPolarHBondContact O-CB 3.37Å; M64-D68 PolarHBondContact O-N 3.48Å; M64-L288 HydrophobicContact CB-CB 3.8Å; M64-L288 HydrophobicContact CB-CD1 4.49Å; M64-L288 VanDerWaalsContact CE-O 3.24Å; M64-L288 WeakPolarHBondContact CE-O 3.33Å; M64-L288 HydrophobicContact CG-CB 4.38Å; M64-R289 HydrophobicContact CG-CG 4.16Å
65M98.9Very high98.8Very high0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-55.7-37.4178.5-78.8-179.871.600113W33 M61 A62 W70 R71 Y75 V78 L118 L288W33-M65 HydrophobicContact CB-SD 3.89Å; M61-M65 WeakPolarHBondContact O-CB 3.33Å; M61-M65 VanDerWaalsContact O-CG 3.27Å; M61-M65 WeakPolarHBondContact O-CG 3.17Å; M61-M65 PolarHBondContact O-N 2.77Å; A62-M65 PolarHBondContact O-N 3.34Å; M65-W70 HydrophobicContact CB-CB 4.19Å; M65-W70 HydrophobicContact CG-CB 4.18Å; M65-W70 WeakPolarHBondContact O-CB 3.36Å; M65-W70 PolarHBondContact O-N 2.9Å; M65-R71 PolarHBondContact O-N 3.25Å; M65-Y75 WeakPolarHBondContact CE-O 3.32Å; M65-V78 HydrophobicContact CE-CG2 4.4Å; M65-V78 HydrophobicContact SD-CG2 3.57Å; M65-V78 VanDerWaalsContact SD-CG2 3.57Å; M65-L118 HydrophobicContact CB-CD1 3.86Å; M65-L118 HydrophobicContact CB-CD2 4.45Å; M65-L118 HydrophobicContact CE-CD2 3.98Å; M65-L118 HydrophobicContact SD-CD1 4.45Å; M65-L288 HydrophobicContact CG-CD1 3.54Å; M65-L288 HydrophobicContact SD-CD1 4.48Å
66V98.7Very high98.8Very high39 Ų3942 Ų4224%0.23621%0.209CC..Hα-helixtrans-80.9-49174.6176.80000112.3A62 D63 M64 D68 K116 L118A62-V66 PolarHBondContact O-N 3.41Å; D63-V66 PolarHBondContact O-N 3.35Å; M64-V66 PolarHBondContact O-N 2.78Å; V66-D68 VanDerWaalsContact C-N 3.27Å; V66-D68 PolarHBondContact O-N 2.9Å; V66-K116 HydrophobicContact CG2-CB 3.84Å; V66-K116 WeakPolarHBondContact CG2-O 3.2Å; V66-L118 HydrophobicContact CG2-CD1 4.18Å; V66-L118 HydrophobicContact CG2-CG 4.43Å
67K98.5Very high98.8Very high163 Ų16337 Ų3771%0.70919%0.19SC*.Hα-helixtrans-61.5-38.1-173.9-178-171.3171.6-167.60112.1D63 M64D63-K67 WeakPolarHBondContact O-CB 3.35Å; D63-K67 PolarHBondContact O-N 3.1Å; M64-K67 PolarHBondContact O-N 2.98Å; M64-K67 HydrophobicContact SD-CD 4.27Å
68D98.4Very high98.8Very high39 Ų3936.9 Ų36.921%0.20919%0.189CC..THydrogen-bonded Turntrans-101.87.9-167.5-87.637.8000114M64 V66 K296 Q300M64-D68 HydrophobicContact CE-CB 4.38Å; M64-D68 VanDerWaalsContact CE-CG 3.49Å; M64-D68 VanDerWaalsContact O-CB 3.29Å; M64-D68 WeakPolarHBondContact O-CB 3.37Å; M64-D68 PolarHBondContact O-N 3.48Å; V66-D68 VanDerWaalsContact C-N 3.27Å; V66-D68 PolarHBondContact O-N 2.9Å; D68-K296 VanDerWaalsContact CB-NZ 3.25Å; D68-K296 WeakPolarHBondContact O-CE 3.13Å; D68-K296 PolarHBondContact O-NZ 2.79Å; D68-K296 VanDerWaalsContact O-NZ 3.16Å; D68-K296 IonicContact OD2-NZ 2.71Å; D68-K296 PolarHBondContact OD2-NZ 3.29Å; D68-Q300 PolarHBondContact O-NE2 3Å
69G98.5Very high98.8Very high22 Ų2237 Ų3723%0.22719%0.19CC..THydrogen-bonded Turntrans89.39.1171.300000115.5E72 A73G69-E72 WeakPolarHBondContact CA-OE2 3.37Å; G69-E72 PolarHBondContact O-N 3.1Å; G69-A73 WeakPolarHBondContact O-CB 3.34Å; G69-A73 PolarHBondContact O-N 2.88Å
70W98.9Very high98.8Very high0 Ų034.2 Ų34.20%018%0.177CC..Hα-helixtrans-70.3-42.9-176.4-56.997.9000111.8M65 E72 A73 G74 Y75 M284 L288 I291 K296 L299 Q300M65-W70 HydrophobicContact CB-CB 4.19Å; M65-W70 HydrophobicContact CG-CB 4.18Å; M65-W70 WeakPolarHBondContact O-CB 3.36Å; M65-W70 PolarHBondContact O-N 2.9Å; W70-E72 VanDerWaalsContact C-N 3.3Å; W70-E72 PolarHBondContact O-N 2.84Å; W70-A73 CarbonylContact O-C 3.42Å; W70-A73 WeakPolarHBondContact O-CB 3.45Å; W70-A73 PolarHBondContact O-N 3.26Å; W70-A73 VanDerWaalsContact O-N 3.13Å; W70-G74 PolarHBondContact O-N 3.16Å; W70-G74 VanDerWaalsContact O-N 3.12Å; W70-Y75 HydrophobicContact CB-CD2 4.39Å; W70-Y75 AromaticContact CE3-CD2 3.96Å; W70-Y75 HydrophobicContact CE3-CD2 3.96Å; W70-Y75 HydrophobicContact CE3-CE2 4.05Å; W70-Y75 HydrophobicContact CZ3-CE2 4.41Å; W70-Y75 WeakPolarHBondContact O-CB 3.36Å; W70-Y75 WeakPolarHBondContact O-CD2 3.28Å; W70-Y75 PolarHBondContact O-N 2.91Å; W70-M284 HydrophobicContact CD2-CE 4.04Å; W70-M284 HydrophobicContact CD2-SD 4.49Å; W70-M284 HydrophobicContact CE3-CE 3.63Å; W70-M284 HydrophobicContact CE3-SD 3.65Å; W70-M284 HydrophobicContact CH2-SD 4.12Å; W70-M284 HydrophobicContact CZ3-CE 4.05Å; W70-M284 HydrophobicContact CZ3-SD 3.44Å; W70-M284 WeakPolarHBondContact CZ3-SD 2.99Å; W70-L288 HydrophobicContact CD2-CD2 4.35Å; W70-L288 HydrophobicContact CH2-CD2 4.36Å; W70-L288 HydrophobicContact CZ2-CD2 3.78Å; W70-I291 HydrophobicContact CH2-CD1 3.92Å; W70-I291 HydrophobicContact CZ2-CD1 4.11Å; W70-I291 HydrophobicContact CZ2-CG2 4.13Å; W70-K296 HydrophobicContact CH2-CB 4.09Å; W70-K296 HydrophobicContact CH2-CG 3.83Å; W70-K296 HydrophobicContact CZ2-CB 4.17Å; W70-K296 HydrophobicContact CZ2-CD 4.13Å; W70-K296 HydrophobicContact CZ2-CG 3.68Å; W70-L299 HydrophobicContact CH2-CB 4.02Å; W70-L299 HydrophobicContact CH2-CD1 3.99Å; W70-L299 HydrophobicContact CZ3-CB 3.56Å; W70-L299 HydrophobicContact CZ3-CD1 4.14Å; W70-L299 HydrophobicContact CZ3-CG 4.49Å; W70-Q300 HydrophobicContact CD2-CG 4.4Å; W70-Q300 VanDerWaalsContact CD2-NE2 3.35Å; W70-Q300 HydrophobicContact CE3-CG 3.71Å; W70-Q300 HydrophobicContact CH2-CG 4.26Å; W70-Q300 HydrophobicContact CZ3-CG 3.62Å
71R98.6Very high98.8Very high88 Ų8831.9 Ų31.933%0.33217%0.166SC..Hα-helixtrans-59.3-43.7174-173.7-173.661.61752.5111.3M65 A73 G74 Y75 K116 L118M65-R71 PolarHBondContact O-N 3.25Å; R71-A73 VanDerWaalsContact C-N 3.25Å; R71-A73 PolarHBondContact O-N 3.05Å; R71-G74 WeakPolarHBondContact O-CA 3.49Å; R71-G74 PolarHBondContact O-N 3.12Å; R71-Y75 WeakPolarHBondContact CA-O 3.4Å; R71-K116 PolarHBondContact NH1-O 3.18Å; R71-L118 HydrophobicContact CB-CD2 3.99Å; R71-L118 HydrophobicContact CG-CD2 3.81Å
72E98.6Very high98.8Very high97 Ų9731.9 Ų31.945%0.45317%0.166SC..Hα-helixtrans-67.4-26.6178.1-6767.9-15200112.5G69 W70 G74G69-E72 WeakPolarHBondContact CA-OE2 3.37Å; G69-E72 PolarHBondContact O-N 3.1Å; W70-E72 VanDerWaalsContact C-N 3.3Å; W70-E72 PolarHBondContact O-N 2.84Å; E72-G74 VanDerWaalsContact C-N 3.28Å
73A98.7Very high98.8Very high16 Ų1631.9 Ų31.913%0.13217%0.166CC..Hα-helixtrans-78-12.7170.300000112.9G69 W70 R71 Y75 Q300 I305G69-A73 WeakPolarHBondContact O-CB 3.34Å; G69-A73 PolarHBondContact O-N 2.88Å; W70-A73 CarbonylContact O-C 3.42Å; W70-A73 WeakPolarHBondContact O-CB 3.45Å; W70-A73 PolarHBondContact O-N 3.26Å; W70-A73 VanDerWaalsContact O-N 3.13Å; R71-A73 VanDerWaalsContact C-N 3.25Å; R71-A73 PolarHBondContact O-N 3.05Å; A73-Y75 HydrophobicContact CB-CD2 4.1Å; A73-Y75 HydrophobicContact CB-CE2 4.28Å; A73-Q300 HydrophobicContact CB-CB 4.33Å; A73-Q300 HydrophobicContact CB-CG 4.18Å; A73-I305 HydrophobicContact CB-CD1 4.06Å
74G98.8Very high98.8Very high31 Ų3129.3 Ų29.332%0.3215%0.152SC..THydrogen-bonded Turntrans112.5-3.617600000114.9M31 W70 R71 E72 E76M31-G74 WeakPolarHBondContact CB-O 3.17Å; W70-G74 PolarHBondContact O-N 3.16Å; W70-G74 VanDerWaalsContact O-N 3.12Å; R71-G74 WeakPolarHBondContact O-CA 3.49Å; R71-G74 PolarHBondContact O-N 3.12Å; E72-G74 VanDerWaalsContact C-N 3.28Å; G74-E76 PolarHBondContact O-N 3.01Å; G74-E76 VanDerWaalsContact O-N 3.17Å
75Y98.9Very high98.7Very high0 Ų028.1 Ų28.10%015%0.146CC..  trans-74.5104.5176.4-62.6-86.6000109.8M31 G32 M65 W70 R71 A73 L282 M284 L299 I305M31-Y75 HydrophobicContact CB-CD1 4.06Å; M31-Y75 HydrophobicContact CB-CG 4.49Å; M31-Y75 HydrophobicContact CE-CD1 4.03Å; M31-Y75 HydrophobicContact CE-CD2 3.89Å; M31-Y75 HydrophobicContact CE-CE1 3.88Å; M31-Y75 HydrophobicContact CE-CE2 3.73Å; M31-Y75 HydrophobicContact CE-CG 4.04Å; G32-Y75 WeakPolarHBondContact O-CD1 3.43Å; M65-Y75 WeakPolarHBondContact CE-O 3.32Å; W70-Y75 HydrophobicContact CB-CD2 4.39Å; W70-Y75 AromaticContact CE3-CD2 3.96Å; W70-Y75 HydrophobicContact CE3-CD2 3.96Å; W70-Y75 HydrophobicContact CE3-CE2 4.05Å; W70-Y75 HydrophobicContact CZ3-CE2 4.41Å; W70-Y75 WeakPolarHBondContact O-CB 3.36Å; W70-Y75 WeakPolarHBondContact O-CD2 3.28Å; W70-Y75 PolarHBondContact O-N 2.91Å; R71-Y75 WeakPolarHBondContact CA-O 3.4Å; A73-Y75 HydrophobicContact CB-CD2 4.1Å; A73-Y75 HydrophobicContact CB-CE2 4.28Å; Y75-L282 HydrophobicContact CE1-CB 4.02Å; Y75-L282 WeakPolarHBondContact CE1-O 3.46Å; Y75-M284 HydrophobicContact CD1-CE 3.61Å; Y75-M284 HydrophobicContact CD1-CG 4.08Å; Y75-M284 HydrophobicContact CD1-SD 4.03Å; Y75-M284 HydrophobicContact CD2-CE 4.18Å; Y75-M284 HydrophobicContact CE1-CE 3.96Å; Y75-M284 HydrophobicContact CE1-CG 3.61Å; Y75-M284 HydrophobicContact CE1-SD 3.72Å; Y75-M284 HydrophobicContact CE2-CE 4.5Å; Y75-M284 HydrophobicContact CE2-SD 4.25Å; Y75-M284 HydrophobicContact CG-CE 3.72Å; Y75-M284 HydrophobicContact CG-SD 4.42Å; Y75-L299 PolarHBondContact OH-O 2.95Å; Y75-I305 HydrophobicContact CE2-CD1 4.38Å
76E98.6Very high98.7Very high78 Ų7829.6 Ų29.636%0.36416%0.156SC..  trans-115.8-18.2-16967.5176.7176.900114.5M31 G74 L118 K119M31-E76 PolarHBondContact O-N 3Å; G74-E76 PolarHBondContact O-N 3.01Å; G74-E76 VanDerWaalsContact O-N 3.17Å; E76-L118 CarbonylContact O-C 3.55Å; E76-L118 WeakPolarHBondContact O-CA 3.33Å; E76-K119 HydrophobicContact CG-CD 4.32Å; E76-K119 PolarHBondContact O-N 3.03Å
77Y98.9Very high98.6Very high10 Ų1033.7 Ų33.74%0.03917%0.172CC..EExtended strand (participates in β ladder)trans-97.1131.5179.5-65.8-96.1000112.1T30 M31 G32 W33 K119 D154 L155T30-Y77 HydrophobicContact CG2-CD2 3.44Å; T30-Y77 VanDerWaalsContact CG2-CD2 3.44Å; T30-Y77 HydrophobicContact CG2-CE2 3.55Å; T30-Y77 HydrophobicContact CG2-CG 4.11Å; M31-Y77 WeakPolarHBondContact O-CD2 3.21Å; M31-Y77 PolarHBondContact O-N 2.93Å; G32-Y77 CarbonylContact C-O 3.54Å; G32-Y77 WeakPolarHBondContact CA-O 3.46Å; W33-Y77 PolarHBondContact N-O 2.69Å; Y77-K119 CarbonylContact C-O 3.59Å; Y77-K119 WeakPolarHBondContact CA-O 3.23Å; Y77-K119 HydrophobicContact CD1-CB 3.61Å; Y77-K119 HydrophobicContact CD1-CD 4.17Å; Y77-K119 HydrophobicContact CE1-CB 3.76Å; Y77-K119 HydrophobicContact CE1-CD 3.54Å; Y77-K119 HydrophobicContact CE1-CG 4.29Å; Y77-K119 HydrophobicContact CE2-CD 3.95Å; Y77-K119 HydrophobicContact CG-CB 4.14Å; Y77-K119 WeakPolarHBondContact OH-CD 3.24Å; Y77-D154 HydrophobicContact CE1-CB 4.22Å; Y77-L155 HydrophobicContact CD1-CB 3.8Å; Y77-L155 HydrophobicContact CD1-CD1 3.76Å; Y77-L155 HydrophobicContact CD1-CG 4.46Å; Y77-L155 HydrophobicContact CE1-CB 3.91Å; Y77-L155 HydrophobicContact CE1-CD1 4.07Å; Y77-L155 HydrophobicContact CG-CD1 4.18Å
78V98.9Very high98.5Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-105.7107.5166.4-178.70000106.7W33 Y58 A62 M65 V113 L118 K119 L120 G121W33-V78 HydrophobicContact CE3-CG1 4.37Å; Y58-V78 HydrophobicContact CD1-CG1 4.12Å; A62-V78 HydrophobicContact CB-CG2 4.14Å; M65-V78 HydrophobicContact CE-CG2 4.4Å; M65-V78 HydrophobicContact SD-CG2 3.57Å; M65-V78 VanDerWaalsContact SD-CG2 3.57Å; V78-V113 HydrophobicContact CB-CG1 4.3Å; V78-V113 HydrophobicContact CG2-CG1 4.17Å; V78-L118 HydrophobicContact CG2-CB 4.41Å; V78-L118 HydrophobicContact CG2-CD1 3.91Å; V78-K119 PolarHBondContact N-O 2.86Å; V78-L120 WeakPolarHBondContact O-CA 3.21Å; V78-L120 WeakPolarHBondContact O-CD1 3.46Å; V78-G121 PolarHBondContact O-N 2.82Å
79C98.9Very high98.6Very high3 Ų333 Ų332%0.0217%0.169CC..EExtended strand (participates in β ladder)trans-108.1126.7-169.9-59.90000112.3W33 L34W33-C79 WeakPolarHBondContact O-CB 3.31Å; W33-C79 PolarHBondContact O-N 2.97Å; L34-C79 HydrophobicContact CB-CB 4.2Å; L34-C79 HydrophobicContact CD1-CB 3.38Å; L34-C79 HydrophobicContact CG-CB 4.41Å
80I98.9Very high98.5Very high0 Ų033 Ų330%016%0.164CC..  trans-81.8134.6166.8-54.7167.6000107.6Y58 W84 I106 L109 L120 G121 I122 Y123Y58-I80 HydrophobicContact CD1-CG1 3.89Å; Y58-I80 HydrophobicContact CD2-CG1 4.27Å; Y58-I80 HydrophobicContact CE1-CB 4.12Å; Y58-I80 HydrophobicContact CE1-CG1 3.64Å; Y58-I80 HydrophobicContact CE1-CG2 4.49Å; Y58-I80 HydrophobicContact CE2-CG1 4.05Å; Y58-I80 HydrophobicContact CE2-CG2 4.44Å; Y58-I80 HydrophobicContact CG-CG1 4.21Å; I80-W84 HydrophobicContact CG2-CB 3.43Å; I80-W84 VanDerWaalsContact CG2-CB 3.43Å; I80-W84 HydrophobicContact CG2-CG 3.66Å; I80-I106 HydrophobicContact CD1-CD1 4.1Å; I80-L109 HydrophobicContact CD1-CD2 3.87Å; I80-L120 HydrophobicContact CD1-CD1 3.98Å; I80-L120 HydrophobicContact CG1-CD1 4.2Å; I80-G121 PolarHBondContact N-O 2.91Å; I80-I122 HydrophobicContact CB-CG1 4.42Å; I80-I122 HydrophobicContact CD1-CG1 4.45Å; I80-I122 CarbonylContact O-C 3.54Å; I80-Y123 WeakPolarHBondContact O-CB 3.35Å; I80-Y123 PolarHBondContact O-N 3.3Å
81D98.9Very high98.4Very high1 Ų137.9 Ų37.91%0.00520%0.204CC..  trans-107.1-161.8173.5-147.1-76.5000109.2L34 H35 W36 Y123 K157L34-D81 HydrophobicContact CD1-CB 3.9Å; L34-D81 WeakPolarHBondContact CD1-OD2 3.33Å; L34-D81 WeakPolarHBondContact CD2-OD2 3.43Å; H35-D81 VanDerWaalsContact CE1-C 3.45Å; H35-D81 WeakPolarHBondContact CE1-CA 3.23Å; H35-D81 WeakPolarHBondContact CE1-CB 3.01Å; H35-D81 PolarHBondContact CE1-N 3.02Å; H35-D81 WeakPolarHBondContact ND1-CB 3.26Å; H35-D81 PolarHBondContact ND1-N 2.78Å; W36-D81 HydrophobicContact CB-CB 3.9Å; W36-D81 HydrophobicContact CE3-CB 4.17Å; D81-Y123 VanDerWaalsContact C-CB 3.42Å; D81-Y123 WeakPolarHBondContact OD1-CD2 3.48Å; D81-K157 VanDerWaalsContact CG-NZ 3.31Å; D81-K157 IonicContact OD1-NZ 3.66Å; D81-K157 PolarHBondContact OD1-NZ 2.91Å; D81-K157 VanDerWaalsContact OD2-CD 3.22Å; D81-K157 WeakPolarHBondContact OD2-CD 3.45Å; D81-K157 WeakPolarHBondContact OD2-CE 3.44Å; D81-K157 IonicContact OD2-NZ 3.22Å; D81-K157 PolarHBondContact OD2-NZ 2.88Å
82D98.8Very high98.3Very high0 Ų040.2 Ų40.20%022%0.219CC..THydrogen-bonded Turntrans-55.4169.1-178.9-153.7-6.6000113.8H35 W36 W84 Y123 T130 C131 A132H35-D82 PolarHBondContact CE1-O 2.87Å; W36-D82 HydrophobicContact CE3-CB 4.34Å; W36-D82 HydrophobicContact CH2-CB 4.15Å; W36-D82 HydrophobicContact CZ3-CB 3.7Å; D82-W84 VanDerWaalsContact C-N 3.28Å; D82-W84 PolarHBondContact O-N 3.23Å; D82-Y123 HydrophobicContact CB-CD1 3.94Å; D82-Y123 HydrophobicContact CB-CE1 3.57Å; D82-Y123 HydrophobicContact CB-CE2 4.36Å; D82-Y123 VanDerWaalsContact CG-CE1 3.42Å; D82-T130 VanDerWaalsContact CG-OG1 3.27Å; D82-T130 WeakPolarHBondContact OD1-CB 3.46Å; D82-T130 PolarHBondContact OD1-OG1 2.97Å; D82-T130 VanDerWaalsContact OD2-CB 3.26Å; D82-T130 WeakPolarHBondContact OD2-CB 3.05Å; D82-T130 PolarHBondContact OD2-OG1 3.03Å; D82-C131 PolarHBondContact OD2-N 2.97Å; D82-A132 WeakPolarHBondContact OD2-CB 3.38Å; D82-A132 PolarHBondContact OD2-N 2.86Å
83C98.8Very high98.2Very high0 Ų036.3 Ų36.30%020%0.204CC..THydrogen-bonded Turntrans71.58.7176.3-46.40000116.3C41 T43 R101 A132 Y134C41-C83 VanDerWaalsContact CA-SG 3.59Å; C41-C83 HydrophobicContact CB-CB 4.04Å; C41-C83 WeakPolarHBondContact CB-SG 3.21Å; C41-C83 WeakPolarHBondContact SG-CB 3.39Å; C41-C83 CovalentContact SG-SG 2.01Å; C41-C83 PolarHBondContact SG-SG 2.86Å; T43-C83 HydrophobicContact CG2-CB 4.17Å; C83-R101 PolarHBondContact O-NH1 3.12Å; C83-R101 PolarHBondContact O-NH2 3.38Å; C83-A132 WeakPolarHBondContact SG-CB 3.45Å; C83-Y134 HydrophobicContact CB-CD2 4.5Å; C83-Y134 HydrophobicContact CB-CE2 3.75Å
84W98.9Very high98.2Very high2 Ų240.4 Ų40.41%0.00822%0.216CC..  trans-74.9-34.9169.576.9-91.4000115.9I80 D82 L95 P97 D98 F102 I106 I122 Y123 F148 W151I80-W84 HydrophobicContact CG2-CB 3.43Å; I80-W84 VanDerWaalsContact CG2-CB 3.43Å; I80-W84 HydrophobicContact CG2-CG 3.66Å; D82-W84 VanDerWaalsContact C-N 3.28Å; D82-W84 PolarHBondContact O-N 3.23Å; W84-L95 HydrophobicContact CH2-CB 3.91Å; W84-L95 HydrophobicContact CH2-CD1 4.43Å; W84-L95 HydrophobicContact CZ2-CB 4.41Å; W84-L95 HydrophobicContact CZ2-CD1 4.14Å; W84-P97 HydrophobicContact CE3-CB 3.8Å; W84-P97 HydrophobicContact CZ3-CB 3.8Å; W84-D98 PolarHBondContact O-N 2.97Å; W84-D98 VanDerWaalsContact O-N 3.07Å; W84-F102 HydrophobicContact CB-CE2 4.02Å; W84-F102 HydrophobicContact CB-CZ 3.89Å; W84-I106 HydrophobicContact CE3-CD1 3.86Å; W84-I106 HydrophobicContact CE3-CG1 4.07Å; W84-I106 HydrophobicContact CZ3-CD1 4.14Å; W84-I106 HydrophobicContact CZ3-CG1 3.8Å; W84-I122 HydrophobicContact CD2-CD1 4.21Å; W84-I122 HydrophobicContact CD2-CG1 4.36Å; W84-I122 HydrophobicContact CE3-CD1 4.41Å; W84-I122 HydrophobicContact CH2-CD1 3.93Å; W84-I122 HydrophobicContact CZ2-CD1 3.66Å; W84-I122 HydrophobicContact CZ2-CG1 4.12Å; W84-I122 HydrophobicContact CZ3-CD1 4.27Å; W84-Y123 PolarHBondContact NE1-O 2.91Å; W84-F148 HydrophobicContact CZ2-CE1 4.24Å; W84-W151 AromaticContact CH2-CH2 3.81Å; W84-W151 HydrophobicContact CH2-CH2 3.81Å; W84-W151 AromaticContact CH2-CZ3 3.5Å; W84-W151 HydrophobicContact CH2-CZ3 3.5Å; W84-W151 HydrophobicContact CZ2-CZ3 4.49Å; W84-W151 AromaticContact CZ3-CH2 3.97Å; W84-W151 HydrophobicContact CZ3-CH2 3.97Å; W84-W151 AromaticContact CZ3-CZ3 3.84Å; W84-W151 HydrophobicContact CZ3-CZ3 3.84Å
85P98.5Very high98.2Very high2 Ų239.2 Ų39.21%0.01320%0.202CC..BIsolated β-bridgetrans-80.4163.1-170.234.5-34.9000111.3Q96 Y134P85-Q96 CarbonylContact C-O 3.56Å; P85-Q96 VanDerWaalsContact CA-O 3.28Å; P85-Q96 WeakPolarHBondContact CA-O 3.48Å; P85-Y134 HydrophobicContact CG-CD1 3.8Å; P85-Y134 HydrophobicContact CG-CG 3.9Å; P85-Y134 WeakPolarHBondContact O-CD1 3.41Å; P85-Y134 WeakPolarHBondContact O-CE1 3.48Å
86S98.1Very high98.2Very high30 Ų3042.9 Ų42.921%0.2122%0.22CC..  trans-61.9156.7160.2178.90000110.3E88 Q96 P135S86-E88 PolarHBondContact O-N 2.85Å; S86-E88 PolarHBondContact OG-N 2.94Å; S86-E88 PolarHBondContact OG-O 2.86Å; S86-Q96 PolarHBondContact N-O 3Å; S86-P135 VanDerWaalsContact O-CD 3.32Å; S86-P135 WeakPolarHBondContact O-CD 3.36Å
87H97.4Very high98.2Very high125 Ų12540.1 Ų40.158%0.57921%0.208SC*.SBendtrans-68.9-14.7173.1-74-67.9000113.5Y134 P135H87-Y134 AromaticContact CE1-CD1 3.87Å; H87-Y134 AromaticContact CE1-CE1 3.46Å; H87-Y134 VanDerWaalsContact CE1-CE1 3.46Å; H87-Y134 WeakPolarHBondContact CE1-CE1 3.12Å; H87-Y134 AromaticContact CE1-CZ 3.75Å; H87-Y134 AromaticContact ND1-CD1 3.79Å; H87-Y134 AromaticContact ND1-CE1 3.82Å; H87-Y134 AromaticContact NE2-CE1 3.79Å; H87-P135 VanDerWaalsContact O-CG 3.28Å; H87-P135 WeakPolarHBondContact O-CG 3.35Å
88E96.4Very high98.2Very high149 Ų14941.1 Ų41.170%0.69621%0.214SC*.SBendtrans-124.6142.8179-62.6-169.7174.400111.7S86S86-E88 PolarHBondContact O-N 2.85Å; S86-E88 PolarHBondContact OG-N 2.94Å; S86-E88 PolarHBondContact OG-O 2.86Å
89R98.5Very high98.1Very high39 Ų3945.7 Ų45.715%0.14724%0.244CC..  trans-72.4160167.9-71.6171172.3-80.6-4110.2G93 R94 L95 P135 G136 D144R89-G93 WeakPolarHBondContact CD-O 3.49Å; R89-G93 PolarHBondContact NH1-O 3.03Å; R89-R94 CarbonylContact C-O 3.58Å; R89-R94 VanDerWaalsContact CA-O 3.23Å; R89-R94 WeakPolarHBondContact CA-O 3.46Å; R89-R94 VanDerWaalsContact CB-O 3.32Å; R89-R94 WeakPolarHBondContact CB-O 3.41Å; R89-L95 HydrophobicContact CG-CD2 4.36Å; R89-P135 HydrophobicContact CG-CB 4.27Å; R89-G136 PolarHBondContact NH2-O 3.4Å; R89-D144 IonicContact CZ-OD1 3.86Å; R89-D144 IonicContact CZ-OD2 3.52Å; R89-D144 IonicContact NH1-OD1 2.77Å; R89-D144 PolarHBondContact NH1-OD1 2.93Å; R89-D144 IonicContact NH1-OD2 2.68Å; R89-D144 IonicContact NH2-OD1 3.48Å; R89-D144 PolarHBondContact NH2-OD1 3.44Å; R89-D144 IonicContact NH2-OD2 3Å; R89-D144 PolarHBondContact NH2-OD2 3.1Å
90D97.8Very high98.1Very high23 Ų2351.8 Ų51.812%0.12327%0.27CS..  trans-68.5173.7173.373.312.2000112.3Q92 G93 R94 Q96D90-Q92 PolarHBondContact O-N 2.92Å; D90-Q92 VanDerWaalsContact OD1-C 3.25Å; D90-Q92 VanDerWaalsContact OD1-CA 3.26Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.37Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.15Å; D90-Q92 PolarHBondContact OD1-N 2.62Å; D90-G93 PolarHBondContact O-N 3.02Å; D90-G93 PolarHBondContact OD1-N 3.23Å; D90-R94 PolarHBondContact N-O 3.12Å; D90-R94 PolarHBondContact OD1-N 3.34Å; D90-R94 IonicContact OD2-CZ 2.65Å; D90-R94 IonicContact OD2-NE 2.76Å; D90-R94 PolarHBondContact OD2-NE 3.09Å; D90-R94 IonicContact OD2-NH2 2.82Å; D90-R94 PolarHBondContact OD2-NH2 3.12Å; D90-Q96 VanDerWaalsContact CB-CD 3.5Å; D90-Q96 HydrophobicContact CB-CG 3.84Å
91A97Very high98.1Very high101 Ų10152.3 Ų52.384%0.83527%0.272SS*.THydrogen-bonded Turntrans-62.4-13.1178.300000113.6
92Q95.9Very high98.1Very high138 Ų13852.4 Ų52.465%0.64527%0.272SS*.THydrogen-bonded Turntrans-98.72.9174.6-65.571.650.200112.1D90 R94D90-Q92 PolarHBondContact O-N 2.92Å; D90-Q92 VanDerWaalsContact OD1-C 3.25Å; D90-Q92 VanDerWaalsContact OD1-CA 3.26Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.37Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.15Å; D90-Q92 PolarHBondContact OD1-N 2.62Å; Q92-R94 HydrophobicContact CB-CG 4.5Å
93G97.2Very high98.1Very high14 Ų1456.9 Ų56.914%0.14430%0.301CS..SBendtrans79.413.3-179.600000114.4R89 D90 Y140R89-G93 WeakPolarHBondContact CD-O 3.49Å; R89-G93 PolarHBondContact NH1-O 3.03Å; D90-G93 PolarHBondContact O-N 3.02Å; D90-G93 PolarHBondContact OD1-N 3.23Å; G93-Y140 WeakPolarHBondContact O-CD1 3.43Å
94R98.4Very high98Very high102 Ų10258.1 Ų58.139%0.38531%0.314SS..  trans-84.4148.6177.3-56.6-176.4-62.5172.54.1111.4R89 D90 Q92 T143R89-R94 CarbonylContact C-O 3.58Å; R89-R94 VanDerWaalsContact CA-O 3.23Å; R89-R94 WeakPolarHBondContact CA-O 3.46Å; R89-R94 VanDerWaalsContact CB-O 3.32Å; R89-R94 WeakPolarHBondContact CB-O 3.41Å; D90-R94 PolarHBondContact N-O 3.12Å; D90-R94 PolarHBondContact OD1-N 3.34Å; D90-R94 IonicContact OD2-CZ 2.65Å; D90-R94 IonicContact OD2-NE 2.76Å; D90-R94 PolarHBondContact OD2-NE 3.09Å; D90-R94 IonicContact OD2-NH2 2.82Å; D90-R94 PolarHBondContact OD2-NH2 3.12Å; Q92-R94 HydrophobicContact CB-CG 4.5Å; R94-T143 HydrophobicContact CG-CG2 3.85Å
95L98.8Very high98Very high6 Ų658.9 Ų58.93%0.03132%0.323CS..  trans-60.1145.6167.1-68.2170.6000110W84 R89 P135 D144 F148 W151W84-L95 HydrophobicContact CH2-CB 3.91Å; W84-L95 HydrophobicContact CH2-CD1 4.43Å; W84-L95 HydrophobicContact CZ2-CB 4.41Å; W84-L95 HydrophobicContact CZ2-CD1 4.14Å; R89-L95 HydrophobicContact CG-CD2 4.36Å; L95-P135 HydrophobicContact CD2-CB 3.99Å; L95-D144 HydrophobicContact CD1-CB 4.39Å; L95-F148 HydrophobicContact CD1-CE1 3.97Å; L95-F148 HydrophobicContact CD1-CZ 3.71Å; L95-W151 VanDerWaalsContact O-CH2 3.31Å; L95-W151 WeakPolarHBondContact O-CH2 3.49Å
96Q98.4Very high98Very high78 Ų7858.8 Ų58.836%0.36432%0.322SS..  trans-130.2141.1173.9-64.9-177.975.600108.6P85 S86 D90P85-Q96 CarbonylContact C-O 3.56Å; P85-Q96 VanDerWaalsContact CA-O 3.28Å; P85-Q96 WeakPolarHBondContact CA-O 3.48Å; S86-Q96 PolarHBondContact N-O 3Å; D90-Q96 VanDerWaalsContact CB-CD 3.5Å; D90-Q96 HydrophobicContact CB-CG 3.84Å
97P98.6Very high98.1Very high19 Ų1960.6 Ų60.612%0.12333%0.326CS..BIsolated β-bridgetrans-69.2155170.332.9-35.5000110.2W84 P99 F102 I106W84-P97 HydrophobicContact CE3-CB 3.8Å; W84-P97 HydrophobicContact CZ3-CB 3.8Å; P97-P99 WeakPolarHBondContact O-CD 3.41Å; P97-F102 HydrophobicContact CB-CB 3.78Å; P97-F102 HydrophobicContact CB-CD2 4.39Å; P97-F102 HydrophobicContact CB-CG 4.14Å; P97-F102 HydrophobicContact CG-CB 4.39Å; P97-I106 HydrophobicContact CB-CD1 3.88Å; P97-I106 HydrophobicContact CB-CG1 3.91Å; P97-I106 HydrophobicContact CG-CD1 4.48Å; P97-I106 HydrophobicContact CG-CG1 4.08Å
98D98.7Very high98.1Very high32 Ų3260.9 Ų60.917%0.17133%0.326CS..  trans-58.9121.7174.1178.4-59.3000110.5W84 K100 R101 F102W84-D98 PolarHBondContact O-N 2.97Å; W84-D98 VanDerWaalsContact O-N 3.07Å; D98-K100 VanDerWaalsContact C-N 3.27Å; D98-K100 PolarHBondContact O-N 2.74Å; D98-K100 WeakPolarHBondContact OD1-CA 3.44Å; D98-K100 WeakPolarHBondContact OD1-CB 3.28Å; D98-K100 PolarHBondContact OD1-N 3.47Å; D98-R101 HydrophobicContact CB-CB 4.25Å; D98-R101 VanDerWaalsContact CB-CZ 3.49Å; D98-R101 PolarHBondContact O-N 3.02Å; D98-R101 PolarHBondContact OD1-N 3.47Å; D98-R101 IonicContact OD1-NE 3.08Å; D98-R101 IonicContact OD2-CZ 3.41Å; D98-R101 IonicContact OD2-NE 2.96Å; D98-R101 PolarHBondContact OD2-NE 2.87Å; D98-R101 IonicContact OD2-NH2 2.82Å; D98-R101 PolarHBondContact OD2-NH2 3.13Å; D98-R101 VanDerWaalsContact OD2-NH2 3.08Å; D98-F102 HydrophobicContact CB-CD2 4.38Å; D98-F102 WeakPolarHBondContact O-CA 3.21Å; D98-F102 WeakPolarHBondContact O-CB 3.47Å; D98-F102 PolarHBondContact O-N 3.44Å
99P98Very high98.3Very high96 Ų9654.1 Ų54.162%0.62329%0.294SS*.THydrogen-bonded Turntrans-71.5-19.8-170.628.2-35.8000113.6P97 P103P97-P99 WeakPolarHBondContact O-CD 3.41Å; P99-P103 WeakPolarHBondContact O-CA 3.38Å
100K98.3Very high98.3Very high131 Ų13152.2 Ų52.257%0.5729%0.287SS*.THydrogen-bonded Turntrans-81.8-40.5176.2-176.6-179.2176.4-174.60110.5D46 D98D46-K100 WeakPolarHBondContact OD1-CE 3.39Å; D46-K100 IonicContact OD1-NZ 2.75Å; D46-K100 PolarHBondContact OD1-NZ 2.68Å; D46-K100 IonicContact OD2-NZ 2.73Å; D46-K100 PolarHBondContact OD2-NZ 3.46Å; D98-K100 VanDerWaalsContact C-N 3.27Å; D98-K100 PolarHBondContact O-N 2.74Å; D98-K100 WeakPolarHBondContact OD1-CA 3.44Å; D98-K100 WeakPolarHBondContact OD1-CB 3.28Å; D98-K100 PolarHBondContact OD1-N 3.47Å
101R98.6Very high98.3Very high10 Ų1054.8 Ų54.84%0.03830%0.301CS..THydrogen-bonded Turntrans-89.8-25.7-173.9-61.1-178.7-69.2116.4-7.8113.2I53 S54 E55 C83 D98 P103I53-R101 WeakPolarHBondContact O-CB 3.46Å; I53-R101 WeakPolarHBondContact O-CD 3.21Å; I53-R101 PolarHBondContact O-NH1 3.16Å; S54-R101 CarbonylContact C-O 3.56Å; S54-R101 VanDerWaalsContact CA-O 3.28Å; S54-R101 WeakPolarHBondContact CA-O 3.47Å; S54-R101 WeakPolarHBondContact CB-O 3.41Å; E55-R101 PolarHBondContact N-O 2.95Å; C83-R101 PolarHBondContact O-NH1 3.12Å; C83-R101 PolarHBondContact O-NH2 3.38Å; D98-R101 HydrophobicContact CB-CB 4.25Å; D98-R101 VanDerWaalsContact CB-CZ 3.49Å; D98-R101 PolarHBondContact O-N 3.02Å; D98-R101 PolarHBondContact OD1-N 3.47Å; D98-R101 IonicContact OD1-NE 3.08Å; D98-R101 IonicContact OD2-CZ 3.41Å; D98-R101 IonicContact OD2-NE 2.96Å; D98-R101 PolarHBondContact OD2-NE 2.87Å; D98-R101 IonicContact OD2-NH2 2.82Å; D98-R101 PolarHBondContact OD2-NH2 3.13Å; D98-R101 VanDerWaalsContact OD2-NH2 3.08Å; R101-P103 VanDerWaalsContact C-CD 3.41Å
102F98.8Very high98.4Very high3 Ų352.6 Ų52.61%0.01327%0.272CS..  trans-129.259.3177.2-60.4-97.7000111.1I53 E55 Y58 W84 P97 D98 G104 G105 I106 L109I53-F102 HydrophobicContact CG2-CE2 4.36Å; I53-F102 HydrophobicContact CG2-CZ 4.09Å; E55-F102 HydrophobicContact CB-CB 4.49Å; E55-F102 HydrophobicContact CB-CD1 3.8Å; E55-F102 HydrophobicContact CB-CE1 4.49Å; E55-F102 HydrophobicContact CB-CG 4.41Å; E55-F102 WeakPolarHBondContact OE2-CA 3.39Å; Y58-F102 AromaticContact CD2-CE1 3.85Å; Y58-F102 HydrophobicContact CD2-CE1 3.85Å; Y58-F102 HydrophobicContact CD2-CZ 4.3Å; Y58-F102 AromaticContact CE2-CE1 3.71Å; Y58-F102 HydrophobicContact CE2-CE1 3.71Å; Y58-F102 AromaticContact CE2-CZ 3.7Å; Y58-F102 HydrophobicContact CE2-CZ 3.7Å; W84-F102 HydrophobicContact CB-CE2 4.02Å; W84-F102 HydrophobicContact CB-CZ 3.89Å; P97-F102 HydrophobicContact CB-CB 3.78Å; P97-F102 HydrophobicContact CB-CD2 4.39Å; P97-F102 HydrophobicContact CB-CG 4.14Å; P97-F102 HydrophobicContact CG-CB 4.39Å; D98-F102 HydrophobicContact CB-CD2 4.38Å; D98-F102 WeakPolarHBondContact O-CA 3.21Å; D98-F102 WeakPolarHBondContact O-CB 3.47Å; D98-F102 PolarHBondContact O-N 3.44Å; F102-G104 PolarHBondContact O-N 2.88Å; F102-G104 VanDerWaalsContact O-N 3.11Å; F102-G105 PolarHBondContact O-N 3.04Å; F102-I106 HydrophobicContact CD1-CD1 4.15Å; F102-I106 HydrophobicContact CE1-CD1 4.45Å; F102-L109 HydrophobicContact CD1-CD2 4.39Å; F102-L109 HydrophobicContact CE1-CD2 4.27Å
103P98.4Very high98.6Very high94 Ų9446 Ų4661%0.6124%0.241SC*.THydrogen-bonded Turntrans-60-22.5-176.626.3-37.2000114.3E55 P99 R101E55-P103 VanDerWaalsContact CD-CD 3.48Å; E55-P103 WeakPolarHBondContact OE2-CD 3.4Å; E55-P103 VanDerWaalsContact OE2-N 3.13Å; P99-P103 WeakPolarHBondContact O-CA 3.38Å; R101-P103 VanDerWaalsContact C-CD 3.41Å
104G98.3Very high98.7Very high26 Ų2648.1 Ų48.127%0.26825%0.247SC..THydrogen-bonded Turntrans-83.2-13.4174.200000114.8E55 F102 K108E55-G104 WeakPolarHBondContact OE2-CA 3.46Å; E55-G104 PolarHBondContact OE2-N 2.96Å; F102-G104 PolarHBondContact O-N 2.88Å; F102-G104 VanDerWaalsContact O-N 3.11Å; G104-K108 WeakPolarHBondContact O-CB 3.13Å
105G98.6Very high98.7Very high18 Ų1847.4 Ų47.419%0.18626%0.257CS..Hα-helixtrans72167.3-173.900000114.3F102 K107 K108 L109F102-G105 PolarHBondContact O-N 3.04Å; G105-K107 PolarHBondContact O-N 3.16Å; G105-K108 PolarHBondContact O-N 3.34Å; G105-L109 PolarHBondContact O-N 3.17Å
106I98.9Very high98.7Very high1 Ų149.8 Ų49.81%0.00527%0.267CS..Hα-helixtrans-66.3-40.5-175.3-59-53.9000112.3I80 W84 P97 F102 K108 L109 A110 L120 I122 W151 V153I80-I106 HydrophobicContact CD1-CD1 4.1Å; W84-I106 HydrophobicContact CE3-CD1 3.86Å; W84-I106 HydrophobicContact CE3-CG1 4.07Å; W84-I106 HydrophobicContact CZ3-CD1 4.14Å; W84-I106 HydrophobicContact CZ3-CG1 3.8Å; P97-I106 HydrophobicContact CB-CD1 3.88Å; P97-I106 HydrophobicContact CB-CG1 3.91Å; P97-I106 HydrophobicContact CG-CD1 4.48Å; P97-I106 HydrophobicContact CG-CG1 4.08Å; F102-I106 HydrophobicContact CD1-CD1 4.15Å; F102-I106 HydrophobicContact CE1-CD1 4.45Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 2.84Å; I106-L109 CarbonylContact O-C 3.59Å; I106-L109 WeakPolarHBondContact O-CA 3.5Å; I106-L109 WeakPolarHBondContact O-CB 3.14Å; I106-L109 PolarHBondContact O-N 2.99Å; I106-A110 PolarHBondContact O-N 2.94Å; I106-L120 HydrophobicContact CG2-CD2 3.96Å; I106-I122 HydrophobicContact CD1-CD1 4.48Å; I106-I122 HydrophobicContact CG1-CD1 4.23Å; I106-I122 HydrophobicContact CG2-CD1 4.03Å; I106-W151 HydrophobicContact CB-CB 4.43Å; I106-W151 HydrophobicContact CB-CD2 3.73Å; I106-W151 HydrophobicContact CB-CE3 3.57Å; I106-W151 HydrophobicContact CB-CG 4.14Å; I106-W151 HydrophobicContact CB-CZ3 4.05Å; I106-W151 HydrophobicContact CG1-CD2 4.36Å; I106-W151 HydrophobicContact CG1-CE3 3.84Å; I106-W151 HydrophobicContact CG1-CH2 4.25Å; I106-W151 HydrophobicContact CG1-CZ3 3.77Å; I106-W151 HydrophobicContact CG2-CB 4.03Å; I106-W151 HydrophobicContact CG2-CD2 4.04Å; I106-W151 HydrophobicContact CG2-CE3 3.66Å; I106-W151 HydrophobicContact CG2-CG 4.25Å; I106-W151 HydrophobicContact CG2-CZ3 4.4Å; I106-V153 HydrophobicContact CG2-CG2 4.33Å
107K98.7Very high98.7Very high68 Ų6848.6 Ų48.630%0.29628%0.276SS..Hα-helixtrans-54.7-45178.8178.667.8-17996.50112.5G105 L109 A110 D111 W151 D152G105-K107 PolarHBondContact O-N 3.16Å; K107-L109 VanDerWaalsContact C-N 3.33Å; K107-A110 WeakPolarHBondContact O-CB 3.31Å; K107-A110 PolarHBondContact O-N 3.24Å; K107-D111 IonicContact NZ-OD1 3.64Å; K107-D111 PolarHBondContact NZ-OD1 3.36Å; K107-D111 IonicContact NZ-OD2 3.48Å; K107-D111 PolarHBondContact NZ-OD2 3.11Å; K107-D111 VanDerWaalsContact NZ-OD2 3.12Å; K107-D111 PolarHBondContact O-N 2.8Å; K107-W151 HydrophobicContact CB-CG 4.45Å; K107-D152 WeakPolarHBondContact CE-OD2 3.34Å; K107-D152 IonicContact NZ-OD2 3.74Å; K107-D152 PolarHBondContact NZ-OD2 3.21Å
108K98.8Very high98.7Very high131 Ų13147.9 Ų47.957%0.5727%0.271SS*.Hα-helixtrans-68.1-35.6179.2-171.9-175.4175.5-167.90111.7G104 G105 I106 Y112G104-K108 WeakPolarHBondContact O-CB 3.13Å; G105-K108 PolarHBondContact O-N 3.34Å; I106-K108 VanDerWaalsContact C-N 3.3Å; I106-K108 PolarHBondContact O-N 2.84Å; K108-Y112 PolarHBondContact O-N 2.86Å
109L98.9Very high98.7Very high6 Ų649.7 Ų49.73%0.03128%0.277CS..Hα-helixtrans-66.1-41.8173.3179.358.9000111.3Y58 M59 I80 F102 G105 I106 K107 Y112 V113 L120Y58-L109 HydrophobicContact CD2-CD2 4.16Å; Y58-L109 HydrophobicContact CG-CD2 4.27Å; M59-L109 HydrophobicContact CG-CD1 3.79Å; I80-L109 HydrophobicContact CD1-CD2 3.87Å; F102-L109 HydrophobicContact CD1-CD2 4.39Å; F102-L109 HydrophobicContact CE1-CD2 4.27Å; G105-L109 PolarHBondContact O-N 3.17Å; I106-L109 CarbonylContact O-C 3.59Å; I106-L109 WeakPolarHBondContact O-CA 3.5Å; I106-L109 WeakPolarHBondContact O-CB 3.14Å; I106-L109 PolarHBondContact O-N 2.99Å; K107-L109 VanDerWaalsContact C-N 3.33Å; L109-Y112 WeakPolarHBondContact O-CB 3.42Å; L109-Y112 PolarHBondContact O-N 3.08Å; L109-V113 HydrophobicContact CD1-CG2 4.23Å; L109-V113 WeakPolarHBondContact O-CG2 3.24Å; L109-V113 PolarHBondContact O-N 3.45Å; L109-L120 HydrophobicContact CD2-CD1 4.48Å; L109-L120 HydrophobicContact CG-CD1 4.44Å; L109-L120 HydrophobicContact CG-CD2 4.45Å
110A98.9Very high98.8Very high0 Ų045.1 Ų45.10%025%0.247CC..Hα-helixtrans-58.7-49.5173.700000110.8I106 K107 Y112 V113 H114 L120 W151 D152I106-A110 PolarHBondContact O-N 2.94Å; K107-A110 WeakPolarHBondContact O-CB 3.31Å; K107-A110 PolarHBondContact O-N 3.24Å; A110-Y112 VanDerWaalsContact C-N 3.27Å; A110-Y112 PolarHBondContact O-N 3.17Å; A110-V113 PolarHBondContact O-N 2.73Å; A110-V113 VanDerWaalsContact O-N 3.14Å; A110-H114 WeakPolarHBondContact O-CB 3.12Å; A110-H114 PolarHBondContact O-N 2.84Å; A110-H114 PolarHBondContact O-ND1 3.23Å; A110-L120 HydrophobicContact CB-CB 4.45Å; A110-L120 HydrophobicContact CB-CD2 3.65Å; A110-W151 WeakPolarHBondContact CB-O 3.28Å; A110-D152 HydrophobicContact CB-CB 4.46Å
111D98.9Very high98.8Very high77 Ų7738.9 Ų38.941%0.41222%0.22SC..Hα-helixtrans-56.1-41.7175.7-71.7-35.2000112.1K107 S115K107-D111 IonicContact NZ-OD1 3.64Å; K107-D111 PolarHBondContact NZ-OD1 3.36Å; K107-D111 IonicContact NZ-OD2 3.48Å; K107-D111 PolarHBondContact NZ-OD2 3.11Å; K107-D111 VanDerWaalsContact NZ-OD2 3.12Å; K107-D111 PolarHBondContact O-N 2.8Å; D111-S115 WeakPolarHBondContact O-CB 3.44Å; D111-S115 PolarHBondContact O-N 3.28Å
112Y98.9Very high98.8Very high55 Ų5538.4 Ų38.422%0.21622%0.219CC..Hα-helixtrans-63-50.1176.2-173.1-97.5000111.6M59 A62 D63 K108 L109 A110 H114 S115 K116M59-Y112 HydrophobicContact CB-CD1 3.99Å; M59-Y112 HydrophobicContact CB-CE1 3.66Å; M59-Y112 HydrophobicContact CE-CD1 4.14Å; M59-Y112 HydrophobicContact CE-CD2 3.68Å; M59-Y112 HydrophobicContact CE-CE1 4.04Å; M59-Y112 HydrophobicContact CE-CE2 3.57Å; M59-Y112 HydrophobicContact CE-CG 3.95Å; M59-Y112 HydrophobicContact CG-CD1 3.63Å; M59-Y112 HydrophobicContact CG-CE1 3.82Å; M59-Y112 HydrophobicContact CG-CG 4.13Å; A62-Y112 HydrophobicContact CB-CE1 4.45Å; D63-Y112 PolarHBondContact OD1-OH 2.94Å; D63-Y112 PolarHBondContact OD2-OH 2.95Å; K108-Y112 PolarHBondContact O-N 2.86Å; L109-Y112 WeakPolarHBondContact O-CB 3.42Å; L109-Y112 PolarHBondContact O-N 3.08Å; A110-Y112 VanDerWaalsContact C-N 3.27Å; A110-Y112 PolarHBondContact O-N 3.17Å; Y112-H114 PolarHBondContact O-N 3.36Å; Y112-S115 WeakPolarHBondContact O-CB 3.38Å; Y112-S115 PolarHBondContact O-N 3.4Å; Y112-S115 PolarHBondContact O-OG 2.82Å; Y112-K116 WeakPolarHBondContact O-CG 3.39Å; Y112-K116 PolarHBondContact O-N 2.85Å; Y112-K116 PolarHBondContact OH-NZ 2.84Å
113V98.9Very high98.8Very high0 Ų038.4 Ų38.40%022%0.219CC..Hα-helixtrans-62.2-42.8179.6171.40000111A62 V78 L109 A110 S115 K116 L118 L120A62-V113 HydrophobicContact CB-CG2 4.23Å; V78-V113 HydrophobicContact CB-CG1 4.3Å; V78-V113 HydrophobicContact CG2-CG1 4.17Å; L109-V113 HydrophobicContact CD1-CG2 4.23Å; L109-V113 WeakPolarHBondContact O-CG2 3.24Å; L109-V113 PolarHBondContact O-N 3.45Å; A110-V113 PolarHBondContact O-N 2.73Å; A110-V113 VanDerWaalsContact O-N 3.14Å; V113-S115 VanDerWaalsContact C-N 3.35Å; V113-S115 PolarHBondContact O-N 3.32Å; V113-K116 WeakPolarHBondContact O-CB 3.25Å; V113-K116 PolarHBondContact O-N 2.95Å; V113-K116 VanDerWaalsContact O-N 3.08Å; V113-L118 HydrophobicContact CG1-CB 3.62Å; V113-L118 PolarHBondContact O-N 3.22Å; V113-L120 HydrophobicContact CG1-CB 4.33Å; V113-L120 HydrophobicContact CG2-CD1 4.35Å
114H98.9Very high98.8Very high58 Ų5834.1 Ų34.127%0.26919%0.191SC..Hα-helixtrans-64.7-36.4175.7-63.2160000112.6A110 Y112 K116 G117 L118 D152 D154A110-H114 WeakPolarHBondContact O-CB 3.12Å; A110-H114 PolarHBondContact O-N 2.84Å; A110-H114 PolarHBondContact O-ND1 3.23Å; Y112-H114 PolarHBondContact O-N 3.36Å; H114-K116 PolarHBondContact O-N 3.06Å; H114-K116 VanDerWaalsContact O-N 3.1Å; H114-G117 PolarHBondContact O-N 2.85Å; H114-L118 PolarHBondContact CD2-O 3.29Å; H114-D152 PolarHBondContact CE1-O 2.93Å; H114-D154 IonicContact CD2-OD2 3.91Å; H114-D154 IonicContact CE1-OD2 3.59Å; H114-D154 IonicContact NE2-OD1 3.53Å; H114-D154 IonicContact NE2-OD2 2.77Å; H114-D154 PolarHBondContact NE2-OD2 3.41Å
115S98.8Very high98.9Very high87 Ų8732.9 Ų32.961%0.60818%0.178SC*.Hα-helixtrans-61.1-19.9174.682.80000113.1D111 Y112 V113D111-S115 WeakPolarHBondContact O-CB 3.44Å; D111-S115 PolarHBondContact O-N 3.28Å; Y112-S115 WeakPolarHBondContact O-CB 3.38Å; Y112-S115 PolarHBondContact O-N 3.4Å; Y112-S115 PolarHBondContact O-OG 2.82Å; V113-S115 VanDerWaalsContact C-N 3.35Å; V113-S115 PolarHBondContact O-N 3.32Å
116K98.8Very high98.9Very high56 Ų5632 Ų3224%0.24317%0.169CC..THydrogen-bonded Turntrans-91.61.9175.2-57.6-67.8169.3157.80112.7D63 V66 R71 Y112 V113 H114 L118D63-K116 VanDerWaalsContact OD1-CE 3.24Å; D63-K116 WeakPolarHBondContact OD1-CE 3.41Å; D63-K116 IonicContact OD1-NZ 3.8Å; D63-K116 PolarHBondContact OD1-NZ 3.45Å; V66-K116 HydrophobicContact CG2-CB 3.84Å; V66-K116 WeakPolarHBondContact CG2-O 3.2Å; R71-K116 PolarHBondContact NH1-O 3.18Å; Y112-K116 WeakPolarHBondContact O-CG 3.39Å; Y112-K116 PolarHBondContact O-N 2.85Å; Y112-K116 PolarHBondContact OH-NZ 2.84Å; V113-K116 WeakPolarHBondContact O-CB 3.25Å; V113-K116 PolarHBondContact O-N 2.95Å; V113-K116 VanDerWaalsContact O-N 3.08Å; H114-K116 PolarHBondContact O-N 3.06Å; H114-K116 VanDerWaalsContact O-N 3.1Å; K116-L118 HydrophobicContact CB-CD1 4.12Å; K116-L118 HydrophobicContact CB-CG 4.25Å; K116-L118 PolarHBondContact O-N 3.35Å
117G98.7Very high98.9Very high52 Ų5232 Ų3254%0.53617%0.169SC..THydrogen-bonded Turntrans66.826.7-174.200000113H114H114-G117 PolarHBondContact O-N 2.85Å
118L98.9Very high98.8Very high5 Ų535.4 Ų35.43%0.02619%0.186CC..  trans-107.8176.8174.8-64.5172.1000109.5A62 M65 V66 R71 E76 V78 V113 H114 K116A62-L118 HydrophobicContact CB-CD1 3.94Å; M65-L118 HydrophobicContact CB-CD1 3.86Å; M65-L118 HydrophobicContact CB-CD2 4.45Å; M65-L118 HydrophobicContact CE-CD2 3.98Å; M65-L118 HydrophobicContact SD-CD1 4.45Å; V66-L118 HydrophobicContact CG2-CD1 4.18Å; V66-L118 HydrophobicContact CG2-CG 4.43Å; R71-L118 HydrophobicContact CB-CD2 3.99Å; R71-L118 HydrophobicContact CG-CD2 3.81Å; E76-L118 CarbonylContact O-C 3.55Å; E76-L118 WeakPolarHBondContact O-CA 3.33Å; V78-L118 HydrophobicContact CG2-CB 4.41Å; V78-L118 HydrophobicContact CG2-CD1 3.91Å; V113-L118 HydrophobicContact CG1-CB 3.62Å; V113-L118 PolarHBondContact O-N 3.22Å; H114-L118 PolarHBondContact CD2-O 3.29Å; K116-L118 HydrophobicContact CB-CD1 4.12Å; K116-L118 HydrophobicContact CB-CG 4.25Å; K116-L118 PolarHBondContact O-N 3.35Å
119K98.9Very high98.8Very high69 Ų6934.4 Ų34.430%0.318%0.182SC..EExtended strand (participates in β ladder)trans-121.8143.8-179.8-66.9177.6-178.5-63.50110.2E76 Y77 V78 D154E76-K119 HydrophobicContact CG-CD 4.32Å; E76-K119 PolarHBondContact O-N 3.03Å; Y77-K119 CarbonylContact C-O 3.59Å; Y77-K119 WeakPolarHBondContact CA-O 3.23Å; Y77-K119 HydrophobicContact CD1-CB 3.61Å; Y77-K119 HydrophobicContact CD1-CD 4.17Å; Y77-K119 HydrophobicContact CE1-CB 3.76Å; Y77-K119 HydrophobicContact CE1-CD 3.54Å; Y77-K119 HydrophobicContact CE1-CG 4.29Å; Y77-K119 HydrophobicContact CE2-CD 3.95Å; Y77-K119 HydrophobicContact CG-CB 4.14Å; Y77-K119 WeakPolarHBondContact OH-CD 3.24Å; V78-K119 PolarHBondContact N-O 2.86Å; K119-D154 WeakPolarHBondContact CA-OD2 3.22Å; K119-D154 HydrophobicContact CB-CB 3.8Å; K119-D154 WeakPolarHBondContact CB-OD2 3.48Å; K119-D154 HydrophobicContact CD-CB 4.49Å; K119-D154 HydrophobicContact CG-CB 4.28Å
120L98.9Very high98.8Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-99.1122.6179.3-176.564.2000110.8V78 I80 I106 L109 A110 V113 D154 L155V78-L120 WeakPolarHBondContact O-CA 3.21Å; V78-L120 WeakPolarHBondContact O-CD1 3.46Å; I80-L120 HydrophobicContact CD1-CD1 3.98Å; I80-L120 HydrophobicContact CG1-CD1 4.2Å; I106-L120 HydrophobicContact CG2-CD2 3.96Å; L109-L120 HydrophobicContact CD2-CD1 4.48Å; L109-L120 HydrophobicContact CG-CD1 4.44Å; L109-L120 HydrophobicContact CG-CD2 4.45Å; A110-L120 HydrophobicContact CB-CB 4.45Å; A110-L120 HydrophobicContact CB-CD2 3.65Å; V113-L120 HydrophobicContact CG1-CB 4.33Å; V113-L120 HydrophobicContact CG2-CD1 4.35Å; L120-D154 PolarHBondContact N-OD2 3.04Å; L120-D154 PolarHBondContact O-N 3.34Å; L120-L155 PolarHBondContact O-N 2.75Å
121G98.9Very high98.8Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-96.2149.1165.700000112.1V78 I80 L155V78-G121 PolarHBondContact O-N 2.82Å; I80-G121 PolarHBondContact N-O 2.91Å; G121-L155 CarbonylContact C-O 3.57Å; G121-L155 VanDerWaalsContact CA-O 3.26Å; G121-L155 WeakPolarHBondContact CA-O 3.41Å
122I98.9Very high98.8Very high1 Ų135 Ų351%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-131169173.4-151.9165.6000111.2I80 W84 I106 F148 W151 V153 L155 L156 K157I80-I122 HydrophobicContact CB-CG1 4.42Å; I80-I122 HydrophobicContact CD1-CG1 4.45Å; I80-I122 CarbonylContact O-C 3.54Å; W84-I122 HydrophobicContact CD2-CD1 4.21Å; W84-I122 HydrophobicContact CD2-CG1 4.36Å; W84-I122 HydrophobicContact CE3-CD1 4.41Å; W84-I122 HydrophobicContact CH2-CD1 3.93Å; W84-I122 HydrophobicContact CZ2-CD1 3.66Å; W84-I122 HydrophobicContact CZ2-CG1 4.12Å; W84-I122 HydrophobicContact CZ3-CD1 4.27Å; I106-I122 HydrophobicContact CD1-CD1 4.48Å; I106-I122 HydrophobicContact CG1-CD1 4.23Å; I106-I122 HydrophobicContact CG2-CD1 4.03Å; I122-F148 HydrophobicContact CD1-CD1 4.17Å; I122-F148 HydrophobicContact CD1-CE1 4.11Å; I122-F148 HydrophobicContact CG2-CD1 3.82Å; I122-F148 HydrophobicContact CG2-CE1 3.95Å; I122-F148 HydrophobicContact CG2-CG 4.13Å; I122-F148 HydrophobicContact CG2-CZ 4.37Å; I122-W151 HydrophobicContact CD1-CE3 4.28Å; I122-W151 HydrophobicContact CD1-CZ3 4.17Å; I122-V153 HydrophobicContact CB-CG1 4.09Å; I122-V153 HydrophobicContact CB-CG2 4.25Å; I122-V153 HydrophobicContact CD1-CG2 4.4Å; I122-V153 HydrophobicContact CG2-CG1 3.66Å; I122-V153 HydrophobicContact CG2-CG2 4.13Å; I122-L155 PolarHBondContact N-O 3.49Å; I122-L156 HydrophobicContact CG2-CD1 3.79Å; I122-L156 CarbonylContact O-C 3.51Å; I122-L156 WeakPolarHBondContact O-CA 3.38Å; I122-K157 PolarHBondContact O-N 3.39Å
123Y98.9Very high98.7Very high2 Ų233.8 Ų33.81%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-120.9143-179.7171.5-83.5000112.1I80 D81 D82 W84 T130 K157 D159I80-Y123 WeakPolarHBondContact O-CB 3.35Å; I80-Y123 PolarHBondContact O-N 3.3Å; D81-Y123 VanDerWaalsContact C-CB 3.42Å; D81-Y123 WeakPolarHBondContact OD1-CD2 3.48Å; D82-Y123 HydrophobicContact CB-CD1 3.94Å; D82-Y123 HydrophobicContact CB-CE1 3.57Å; D82-Y123 HydrophobicContact CB-CE2 4.36Å; D82-Y123 VanDerWaalsContact CG-CE1 3.42Å; W84-Y123 PolarHBondContact NE1-O 2.91Å; Y123-T130 HydrophobicContact CD1-CG2 4.49Å; Y123-T130 HydrophobicContact CE1-CG2 3.73Å; Y123-K157 WeakPolarHBondContact CA-O 3.46Å; Y123-K157 HydrophobicContact CD2-CB 4.32Å; Y123-K157 HydrophobicContact CD2-CD 3.87Å; Y123-K157 HydrophobicContact CD2-CG 4Å; Y123-K157 HydrophobicContact CE2-CD 4.38Å; Y123-D159 HydrophobicContact CE2-CB 3.55Å; Y123-D159 WeakPolarHBondContact CE2-OD2 3.29Å; Y123-D159 WeakPolarHBondContact OH-CB 3.33Å; Y123-D159 VanDerWaalsContact OH-CG 3.3Å; Y123-D159 PolarHBondContact OH-OD2 3.34Å
124A98.9Very high98.7Very high4 Ų434.3 Ų34.33%0.03320%0.201CC..EExtended strand (participates in β ladder)trans-148-178.6162.100000109.8F148 L156 K157 F158 D159A124-F148 HydrophobicContact CB-CE2 4.27Å; A124-F148 HydrophobicContact CB-CZ 3.93Å; A124-L156 HydrophobicContact CB-CD1 4.05Å; A124-K157 PolarHBondContact N-O 2.73Å; A124-F158 HydrophobicContact CB-CD2 3.82Å; A124-F158 HydrophobicContact CB-CE2 3.79Å; A124-F158 WeakPolarHBondContact O-CA 3.1Å; A124-D159 PolarHBondContact O-N 2.83Å
125D98.9Very high98.7Very high0 Ų032.6 Ų32.60%020%0.195CC..EExtended strand (participates in β ladder)trans-131.5140.1-177.7-169.5-58.4000110.3G127 T130 S137 F158 D159 C161D125-G127 PolarHBondContact O-N 2.89Å; D125-G127 PolarHBondContact OD1-N 3.46Å; D125-T130 HydrophobicContact CB-CG2 4.08Å; D125-S137 VanDerWaalsContact O-CB 3.25Å; D125-S137 WeakPolarHBondContact O-CB 3.41Å; D125-S137 PolarHBondContact O-N 3.43Å; D125-F158 VanDerWaalsContact C-CE2 3.48Å; D125-F158 WeakPolarHBondContact O-CE2 3.43Å; D125-D159 HydrophobicContact CB-CB 4.27Å; D125-C161 PolarHBondContact OD1-N 2.8Å; D125-C161 VanDerWaalsContact OD2-CB 3.24Å; D125-C161 WeakPolarHBondContact OD2-CB 2.99Å; D125-C161 PolarHBondContact OD2-N 2.78Å; D125-C161 VanDerWaalsContact OD2-N 3.09Å
126V98.8Very high98.7Very high0 Ų028.7 Ų28.70%017%0.168CC..SBendtrans-63.2-28.2178.973.50000113.4Y141 F158 D159 L163 L168 Y172V126-Y141 HydrophobicContact CG2-CE1 4.31Å; V126-Y141 PolarHBondContact O-OH 2.87Å; V126-F158 VanDerWaalsContact CA-CZ 3.43Å; V126-F158 HydrophobicContact CB-CD1 4.02Å; V126-F158 HydrophobicContact CB-CE1 3.55Å; V126-F158 HydrophobicContact CB-CZ 4.04Å; V126-F158 HydrophobicContact CG2-CD1 4.43Å; V126-F158 HydrophobicContact CG2-CE1 3.71Å; V126-F158 HydrophobicContact CG2-CZ 4.37Å; V126-D159 WeakPolarHBondContact CB-O 3.26Å; V126-D159 VanDerWaalsContact CG1-O 3.24Å; V126-D159 WeakPolarHBondContact CG1-O 3.43Å; V126-D159 PolarHBondContact N-O 3.5Å; V126-L163 HydrophobicContact CB-CD2 4.4Å; V126-L163 HydrophobicContact CG1-CB 4.2Å; V126-L163 HydrophobicContact CG1-CD2 3.86Å; V126-L163 HydrophobicContact CG2-CD2 3.79Å; V126-L168 HydrophobicContact CG1-CD2 3.71Å; V126-Y172 HydrophobicContact CB-CE2 4.46Å; V126-Y172 HydrophobicContact CG1-CE2 4.28Å; V126-Y172 HydrophobicContact CG2-CD2 4.48Å
127G98.6Very high98.7Very high0 Ų026 Ų260%016%0.156CC..SBendtrans-85.6-164.8-174.900000115.2D125 K129 G136 S137 L138 C161D125-G127 PolarHBondContact O-N 2.89Å; D125-G127 PolarHBondContact OD1-N 3.46Å; G127-K129 VanDerWaalsContact C-N 3.3Å; G127-G136 CarbonylContact O-C 3.57Å; G127-G136 WeakPolarHBondContact O-CA 3.47Å; G127-S137 PolarHBondContact O-N 3.13Å; G127-S137 VanDerWaalsContact O-N 3.12Å; G127-L138 WeakPolarHBondContact O-CB 3.43Å; G127-L138 PolarHBondContact O-N 3.12Å; G127-C161 WeakPolarHBondContact CA-O 3.47Å
128E98.3Very high98.7Very high140 Ų14026.5 Ų26.565%0.65415%0.146SC*.SBendtrans-71.1-28.6-180-68.3178.9-17100112.6G136 L138 N162E128-G136 WeakPolarHBondContact O-CA 3.41Å; E128-G136 PolarHBondContact O-N 3.15Å; E128-L138 HydrophobicContact CG-CB 4.47Å; E128-L138 HydrophobicContact CG-CD2 3.62Å; E128-N162 PolarHBondContact N-O 2.94Å
129K98.6Very high98.7Very high111 Ų11129.5 Ų29.548%0.48318%0.178SC..BIsolated β-bridgetrans-142.5152.8-179.7-67.5-173.6178.5-171.40110.3G127 Y134 N162G127-K129 VanDerWaalsContact C-N 3.3Å; K129-Y134 CarbonylContact C-O 3.46Å; K129-Y134 WeakPolarHBondContact CA-O 3.47Å; K129-Y134 WeakPolarHBondContact CB-O 3.21Å; K129-N162 HydrophobicContact CB-CB 4.31Å; K129-N162 WeakPolarHBondContact O-CB 3.41Å; K129-N162 PolarHBondContact O-ND2 2.99Å
130T98.8Very high98.7Very high2 Ų230.8 Ų30.81%0.01218%0.182CC..  trans-63.9165.9165.375.90000111.3D82 Y123 D125 A132 G133 Y134 N162D82-T130 VanDerWaalsContact CG-OG1 3.27Å; D82-T130 WeakPolarHBondContact OD1-CB 3.46Å; D82-T130 PolarHBondContact OD1-OG1 2.97Å; D82-T130 VanDerWaalsContact OD2-CB 3.26Å; D82-T130 WeakPolarHBondContact OD2-CB 3.05Å; D82-T130 PolarHBondContact OD2-OG1 3.03Å; Y123-T130 HydrophobicContact CD1-CG2 4.49Å; Y123-T130 HydrophobicContact CE1-CG2 3.73Å; D125-T130 HydrophobicContact CB-CG2 4.08Å; T130-A132 PolarHBondContact O-N 3.37Å; T130-A132 PolarHBondContact OG1-N 2.84Å; T130-G133 WeakPolarHBondContact O-CA 3.44Å; T130-G133 PolarHBondContact O-N 3.34Å; T130-G133 PolarHBondContact OG1-N 3.19Å; T130-Y134 PolarHBondContact N-O 2.78Å; T130-Y134 WeakPolarHBondContact OG1-CB 3.45Å; T130-Y134 PolarHBondContact OG1-N 3Å; T130-N162 PolarHBondContact O-ND2 2.93Å
131C98.4Very high98.7Very high53 Ų5331.9 Ų31.936%0.35819%0.186SC..THydrogen-bonded Turntrans-58.2-34.5176.2-61.80000112.7D82 G133 D159 C161 Y195D82-C131 PolarHBondContact OD2-N 2.97Å; C131-G133 VanDerWaalsContact C-N 3.29Å; C131-G133 PolarHBondContact O-N 3.05Å; C131-D159 VanDerWaalsContact SG-CG 3.52Å; C131-D159 PolarHBondContact SG-OD2 3.15Å; C131-C161 WeakPolarHBondContact CA-SG 3.28Å; C131-C161 HydrophobicContact CB-CB 4Å; C131-C161 WeakPolarHBondContact CB-SG 3.44Å; C131-C161 WeakPolarHBondContact SG-CB 3.35Å; C131-C161 CovalentContact SG-SG 2.04Å; C131-C161 PolarHBondContact SG-SG 3.29Å; C131-Y195 PolarHBondContact SG-OH 2.79Å; C131-Y195 VanDerWaalsContact SG-OH 3.33Å
132A98.2Very high98.6Very high39 Ų3937.5 Ų37.532%0.32221%0.213SC..THydrogen-bonded Turntrans-83.53.1173.600000114.4D82 C83 T130 Y134D82-A132 WeakPolarHBondContact OD2-CB 3.38Å; D82-A132 PolarHBondContact OD2-N 2.86Å; C83-A132 WeakPolarHBondContact SG-CB 3.45Å; T130-A132 PolarHBondContact O-N 3.37Å; T130-A132 PolarHBondContact OG1-N 2.84Å; A132-Y134 HydrophobicContact CB-CD2 3.93Å; A132-Y134 HydrophobicContact CB-CE2 3.98Å
133G98.3Very high98.6Very high30 Ų3040.1 Ų40.131%0.30923%0.228SC..SBendtrans89.114.1171.700000115.8T130 C131T130-G133 WeakPolarHBondContact O-CA 3.44Å; T130-G133 PolarHBondContact O-N 3.34Å; T130-G133 PolarHBondContact OG1-N 3.19Å; C131-G133 VanDerWaalsContact C-N 3.29Å; C131-G133 PolarHBondContact O-N 3.05Å
134Y98.8Very high98.6Very high12 Ų1240 Ų405%0.04723%0.228CC..SBendtrans-79.6168.4172.5-68.5-94.1000111.5C83 P85 H87 K129 T130 A132 G136C83-Y134 HydrophobicContact CB-CD2 4.5Å; C83-Y134 HydrophobicContact CB-CE2 3.75Å; P85-Y134 HydrophobicContact CG-CD1 3.8Å; P85-Y134 HydrophobicContact CG-CG 3.9Å; P85-Y134 WeakPolarHBondContact O-CD1 3.41Å; P85-Y134 WeakPolarHBondContact O-CE1 3.48Å; H87-Y134 AromaticContact CE1-CD1 3.87Å; H87-Y134 AromaticContact CE1-CE1 3.46Å; H87-Y134 VanDerWaalsContact CE1-CE1 3.46Å; H87-Y134 WeakPolarHBondContact CE1-CE1 3.12Å; H87-Y134 AromaticContact CE1-CZ 3.75Å; H87-Y134 AromaticContact ND1-CD1 3.79Å; H87-Y134 AromaticContact ND1-CE1 3.82Å; H87-Y134 AromaticContact NE2-CE1 3.79Å; K129-Y134 CarbonylContact C-O 3.46Å; K129-Y134 WeakPolarHBondContact CA-O 3.47Å; K129-Y134 WeakPolarHBondContact CB-O 3.21Å; T130-Y134 PolarHBondContact N-O 2.78Å; T130-Y134 WeakPolarHBondContact OG1-CB 3.45Å; T130-Y134 PolarHBondContact OG1-N 3Å; A132-Y134 HydrophobicContact CB-CD2 3.93Å; A132-Y134 HydrophobicContact CB-CE2 3.98Å; Y134-G136 PolarHBondContact O-N 3.47Å
135P98.8Very high98.6Very high22 Ų2239.8 Ų39.814%0.14323%0.227CC..BIsolated β-bridgetrans-56122.1179.6-26.936.2000113S86 H87 R89 L95S86-P135 VanDerWaalsContact O-CD 3.32Å; S86-P135 WeakPolarHBondContact O-CD 3.36Å; H87-P135 VanDerWaalsContact O-CG 3.28Å; H87-P135 WeakPolarHBondContact O-CG 3.35Å; R89-P135 HydrophobicContact CG-CB 4.27Å; L95-P135 HydrophobicContact CD2-CB 3.99Å
136G98.7Very high98.6Very high4 Ų443.8 Ų43.84%0.04125%0.245CC..  trans-86.6176.317300000112R89 G127 E128 Y134R89-G136 PolarHBondContact NH2-O 3.4Å; G127-G136 CarbonylContact O-C 3.57Å; G127-G136 WeakPolarHBondContact O-CA 3.47Å; E128-G136 WeakPolarHBondContact O-CA 3.41Å; E128-G136 PolarHBondContact O-N 3.15Å; Y134-G136 PolarHBondContact O-N 3.47Å
137S98.8Very high98.6Very high0 Ų044 Ų440%025%0.246CC..  trans-97.60.2-172.1-65.90000114.8D125 G127 G139 Y140 Y141 D144D125-S137 VanDerWaalsContact O-CB 3.25Å; D125-S137 WeakPolarHBondContact O-CB 3.41Å; D125-S137 PolarHBondContact O-N 3.43Å; G127-S137 PolarHBondContact O-N 3.13Å; G127-S137 VanDerWaalsContact O-N 3.12Å; S137-G139 PolarHBondContact O-N 3.06Å; S137-G139 VanDerWaalsContact O-N 3.1Å; S137-Y140 CarbonylContact O-C 3.51Å; S137-Y140 WeakPolarHBondContact O-CA 3.28Å; S137-Y140 PolarHBondContact O-N 3.49Å; S137-Y141 WeakPolarHBondContact O-CD1 3.46Å; S137-Y141 VanDerWaalsContact O-CE1 3.26Å; S137-Y141 WeakPolarHBondContact O-CE1 3.33Å; S137-Y141 PolarHBondContact O-N 3.24Å; S137-D144 WeakPolarHBondContact CA-OD2 3.43Å; S137-D144 VanDerWaalsContact CB-OD2 3.24Å; S137-D144 WeakPolarHBondContact CB-OD2 3.27Å; S137-D144 PolarHBondContact OG-OD2 3.48Å
138L98.4Very high98.7Very high63 Ų6344 Ų4433%0.3325%0.246SC..THydrogen-bonded Turntrans-57.1119176.7-176.865.4000111.1G127 E128 Y140 Y141 L163G127-L138 WeakPolarHBondContact O-CB 3.43Å; G127-L138 PolarHBondContact O-N 3.12Å; E128-L138 HydrophobicContact CG-CB 4.47Å; E128-L138 HydrophobicContact CG-CD2 3.62Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 WeakPolarHBondContact O-CD2 3.37Å; L138-Y141 HydrophobicContact CD1-CE2 4.5Å; L138-Y141 WeakPolarHBondContact CD1-OH 3.49Å; L138-L163 HydrophobicContact CD1-CD1 4.11Å; L138-L163 HydrophobicContact CD2-CD1 3.95Å
139G98.1Very high98.7Very high68 Ų6837.8 Ų37.870%0.70122%0.219SC*.THydrogen-bonded Turntrans87.6-5.5-176.600000114.9S137S137-G139 PolarHBondContact O-N 3.06Å; S137-G139 VanDerWaalsContact O-N 3.1Å
140Y98.8Very high98.7Very high96 Ų9636.6 Ų36.638%0.37622%0.218SC..THydrogen-bonded Turntrans-123.98.9-176.5-63.1-87.7000113.6G93 S137 L138 E142 T143 D144G93-Y140 WeakPolarHBondContact O-CD1 3.43Å; S137-Y140 CarbonylContact O-C 3.51Å; S137-Y140 WeakPolarHBondContact O-CA 3.28Å; S137-Y140 PolarHBondContact O-N 3.49Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 WeakPolarHBondContact O-CD2 3.37Å; Y140-E142 VanDerWaalsContact C-N 3.33Å; Y140-E142 PolarHBondContact O-N 3.25Å; Y140-E142 VanDerWaalsContact O-N 3.16Å; Y140-T143 CarbonylContact O-C 3.51Å; Y140-T143 WeakPolarHBondContact O-CA 3.28Å; Y140-T143 WeakPolarHBondContact O-CB 3.44Å; Y140-T143 PolarHBondContact O-N 2.64Å; Y140-D144 WeakPolarHBondContact O-CB 3.22Å; Y140-D144 PolarHBondContact O-N 3.22Å
141Y98.8Very high98.7Very high22 Ų2238.3 Ų38.39%0.08622%0.224CC..Hα-helixtrans-51.1-44.2-173.2-53.6-48.3000114.7V126 S137 L138 A145 F158 K174 M175V126-Y141 HydrophobicContact CG2-CE1 4.31Å; V126-Y141 PolarHBondContact O-OH 2.87Å; S137-Y141 WeakPolarHBondContact O-CD1 3.46Å; S137-Y141 VanDerWaalsContact O-CE1 3.26Å; S137-Y141 WeakPolarHBondContact O-CE1 3.33Å; S137-Y141 PolarHBondContact O-N 3.24Å; L138-Y141 HydrophobicContact CD1-CE2 4.5Å; L138-Y141 WeakPolarHBondContact CD1-OH 3.49Å; Y141-A145 WeakPolarHBondContact O-CB 3.41Å; Y141-A145 PolarHBondContact O-N 3.43Å; Y141-F158 AromaticContact CD1-CZ 3.96Å; Y141-F158 HydrophobicContact CD1-CZ 3.96Å; Y141-F158 HydrophobicContact CE1-CE1 4.33Å; Y141-F158 AromaticContact CE1-CZ 3.87Å; Y141-F158 HydrophobicContact CE1-CZ 3.87Å; Y141-K174 HydrophobicContact CD2-CB 3.73Å; Y141-K174 HydrophobicContact CD2-CD 4.1Å; Y141-K174 HydrophobicContact CE2-CB 4.16Å; Y141-K174 HydrophobicContact CE2-CD 4.04Å; Y141-K174 HydrophobicContact CG-CB 4.45Å; Y141-M175 HydrophobicContact CD1-CE 3.97Å
142E98.8Very high98.7Very high119 Ų11938 Ų3856%0.55622%0.219SC*.Hα-helixtrans-68.4-42.4176.7-67.3-160.8-172.200112.4Y140 Q146 A178 K181Y140-E142 VanDerWaalsContact C-N 3.33Å; Y140-E142 PolarHBondContact O-N 3.25Å; Y140-E142 VanDerWaalsContact O-N 3.16Å; E142-Q146 WeakPolarHBondContact O-CB 3.4Å; E142-Q146 PolarHBondContact O-N 3.08Å; E142-A178 HydrophobicContact CG-CB 4.29Å; E142-K181 IonicContact OE1-NZ 2.73Å; E142-K181 PolarHBondContact OE1-NZ 3.44Å; E142-K181 IonicContact OE2-NZ 2.76Å; E142-K181 PolarHBondContact OE2-NZ 3.23Å
143T98.8Very high98.8Very high55 Ų5536.1 Ų36.134%0.33720%0.204SC..Hα-helixtrans-63.1-44.7178-56.10000111.4R94 Y140 Q146 T147R94-T143 HydrophobicContact CG-CG2 3.85Å; Y140-T143 CarbonylContact O-C 3.51Å; Y140-T143 WeakPolarHBondContact O-CA 3.28Å; Y140-T143 WeakPolarHBondContact O-CB 3.44Å; Y140-T143 PolarHBondContact O-N 2.64Å; T143-Q146 PolarHBondContact O-N 3.37Å; T143-T147 WeakPolarHBondContact O-CB 3.42Å; T143-T147 PolarHBondContact O-N 3.32Å; T143-T147 PolarHBondContact O-OG1 3Å
144D98.9Very high98.8Very high0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-71.5-44.3-177.8-70.7-7.4000110.7R89 L95 S137 Y140 Q146 T147 F148 M175R89-D144 IonicContact CZ-OD1 3.86Å; R89-D144 IonicContact CZ-OD2 3.52Å; R89-D144 IonicContact NH1-OD1 2.77Å; R89-D144 PolarHBondContact NH1-OD1 2.93Å; R89-D144 IonicContact NH1-OD2 2.68Å; R89-D144 IonicContact NH2-OD1 3.48Å; R89-D144 PolarHBondContact NH2-OD1 3.44Å; R89-D144 IonicContact NH2-OD2 3Å; R89-D144 PolarHBondContact NH2-OD2 3.1Å; L95-D144 HydrophobicContact CD1-CB 4.39Å; S137-D144 WeakPolarHBondContact CA-OD2 3.43Å; S137-D144 VanDerWaalsContact CB-OD2 3.24Å; S137-D144 WeakPolarHBondContact CB-OD2 3.27Å; S137-D144 PolarHBondContact OG-OD2 3.48Å; Y140-D144 WeakPolarHBondContact O-CB 3.22Å; Y140-D144 PolarHBondContact O-N 3.22Å; D144-Q146 VanDerWaalsContact C-N 3.32Å; D144-Q146 PolarHBondContact O-N 3.27Å; D144-T147 WeakPolarHBondContact O-CB 3.35Å; D144-T147 PolarHBondContact O-N 2.89Å; D144-T147 VanDerWaalsContact O-N 3.11Å; D144-F148 HydrophobicContact CB-CE2 3.95Å; D144-F148 HydrophobicContact CB-CZ 4.15Å; D144-F148 WeakPolarHBondContact O-CD2 3.41Å; D144-F148 WeakPolarHBondContact O-CG 3.29Å; D144-F148 PolarHBondContact O-N 2.85Å; D144-M175 HydrophobicContact CB-CE 4.35Å
145A98.9Very high98.8Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-56.2-46.3173.300000111.8Y141 F148 A149 M175 A178 L179 T182Y141-A145 WeakPolarHBondContact O-CB 3.41Å; Y141-A145 PolarHBondContact O-N 3.43Å; A145-F148 PolarHBondContact O-N 3.16Å; A145-A149 PolarHBondContact O-N 3.41Å; A145-M175 HydrophobicContact CB-SD 4.03Å; A145-A178 HydrophobicContact CB-CB 3.63Å; A145-L179 HydrophobicContact CB-CD2 3.99Å; A145-L179 HydrophobicContact CB-CG 4.34Å; A145-T182 HydrophobicContact CB-CG2 4.2Å
146Q98.9Very high98.8Very high84 Ų8434 Ų3439%0.39319%0.185SC..Hα-helixtrans-65.2-39.7176.3-170.161.854.300111.7E142 T143 D144 F148 A149 D150E142-Q146 WeakPolarHBondContact O-CB 3.4Å; E142-Q146 PolarHBondContact O-N 3.08Å; T143-Q146 PolarHBondContact O-N 3.37Å; D144-Q146 VanDerWaalsContact C-N 3.32Å; D144-Q146 PolarHBondContact O-N 3.27Å; Q146-F148 VanDerWaalsContact C-N 3.33Å; Q146-F148 PolarHBondContact O-N 3.19Å; Q146-A149 PolarHBondContact O-N 3.03Å; Q146-D150 PolarHBondContact NE2-OD1 3.39Å; Q146-D150 WeakPolarHBondContact O-CB 3.42Å; Q146-D150 PolarHBondContact O-N 2.92Å
147T98.9Very high98.8Very high3 Ų334.4 Ų34.42%0.01819%0.185CC..Hα-helixtrans-59.7-43.8176.3-59.60000111.2T143 D144 D150 W151T143-T147 WeakPolarHBondContact O-CB 3.42Å; T143-T147 PolarHBondContact O-N 3.32Å; T143-T147 PolarHBondContact O-OG1 3Å; D144-T147 WeakPolarHBondContact O-CB 3.35Å; D144-T147 PolarHBondContact O-N 2.89Å; D144-T147 VanDerWaalsContact O-N 3.11Å; T147-D150 PolarHBondContact O-N 2.63Å; T147-W151 HydrophobicContact CG2-CD2 3.96Å; T147-W151 HydrophobicContact CG2-CE3 3.98Å; T147-W151 HydrophobicContact CG2-CH2 3.56Å; T147-W151 HydrophobicContact CG2-CZ2 3.51Å; T147-W151 HydrophobicContact CG2-CZ3 3.79Å; T147-W151 PolarHBondContact O-N 3.37Å; T147-W151 VanDerWaalsContact O-N 3.08Å
148F98.9Very high98.8Very high0 Ų034.4 Ų34.40%019%0.185CC..Hα-helixtrans-66.2-40.5176.7-56.7-38000112.2W84 L95 I122 A124 D144 A145 Q146 W151 D152 V153 L156W84-F148 HydrophobicContact CZ2-CE1 4.24Å; L95-F148 HydrophobicContact CD1-CE1 3.97Å; L95-F148 HydrophobicContact CD1-CZ 3.71Å; I122-F148 HydrophobicContact CD1-CD1 4.17Å; I122-F148 HydrophobicContact CD1-CE1 4.11Å; I122-F148 HydrophobicContact CG2-CD1 3.82Å; I122-F148 HydrophobicContact CG2-CE1 3.95Å; I122-F148 HydrophobicContact CG2-CG 4.13Å; I122-F148 HydrophobicContact CG2-CZ 4.37Å; A124-F148 HydrophobicContact CB-CE2 4.27Å; A124-F148 HydrophobicContact CB-CZ 3.93Å; D144-F148 HydrophobicContact CB-CE2 3.95Å; D144-F148 HydrophobicContact CB-CZ 4.15Å; D144-F148 WeakPolarHBondContact O-CD2 3.41Å; D144-F148 WeakPolarHBondContact O-CG 3.29Å; D144-F148 PolarHBondContact O-N 2.85Å; A145-F148 PolarHBondContact O-N 3.16Å; Q146-F148 VanDerWaalsContact C-N 3.33Å; Q146-F148 PolarHBondContact O-N 3.19Å; F148-W151 HydrophobicContact CD1-CE3 4.21Å; F148-W151 HydrophobicContact CD1-CZ3 4.27Å; F148-W151 HydrophobicContact CE1-CZ3 4.39Å; F148-W151 PolarHBondContact O-N 2.8Å; F148-D152 PolarHBondContact O-N 3.41Å; F148-V153 HydrophobicContact CB-CB 4.04Å; F148-V153 HydrophobicContact CB-CG1 4.44Å; F148-V153 HydrophobicContact CB-CG2 4.13Å; F148-V153 WeakPolarHBondContact O-CB 3.12Å; F148-V153 WeakPolarHBondContact O-CG2 3.45Å; F148-V153 PolarHBondContact O-N 3.34Å; F148-L156 HydrophobicContact CD2-CD1 4.17Å; F148-L156 HydrophobicContact CD2-CD2 4.3Å; F148-L156 HydrophobicContact CE2-CD1 3.77Å; F148-L156 HydrophobicContact CE2-CD2 4.13Å; F148-L156 HydrophobicContact CZ-CD1 4.28Å
149A98.9Very high98.8Very high10 Ų1031.9 Ų31.98%0.08317%0.172CC..Hα-helixtrans-64.3-42.8175.300000112.4A145 Q146 W151 D152 T182 R184 I186A145-A149 PolarHBondContact O-N 3.41Å; Q146-A149 PolarHBondContact O-N 3.03Å; A149-W151 PolarHBondContact O-N 3.21Å; A149-D152 PolarHBondContact O-N 3.42Å; A149-T182 HydrophobicContact CB-CG2 3.76Å; A149-R184 HydrophobicContact CB-CB 4.1Å; A149-I186 HydrophobicContact CB-CD1 4.33Å
150D98.8Very high98.8Very high86 Ų8628.7 Ų28.746%0.4614%0.14SC..Hα-helixtrans-63.4-28.5176.4-69.3-9.6000112.2Q146 T147 D152Q146-D150 PolarHBondContact NE2-OD1 3.39Å; Q146-D150 WeakPolarHBondContact O-CB 3.42Å; Q146-D150 PolarHBondContact O-N 2.92Å; T147-D150 PolarHBondContact O-N 2.63Å; D150-D152 VanDerWaalsContact C-N 3.3Å
151W98.9Very high98.8Very high39 Ų3925.3 Ų25.315%0.14813%0.13CC..THydrogen-bonded Turntrans-85.32173.7-68.9-15.3000114.4W84 L95 I106 K107 A110 I122 T147 F148 A149 V153W84-W151 AromaticContact CH2-CH2 3.81Å; W84-W151 HydrophobicContact CH2-CH2 3.81Å; W84-W151 AromaticContact CH2-CZ3 3.5Å; W84-W151 HydrophobicContact CH2-CZ3 3.5Å; W84-W151 HydrophobicContact CZ2-CZ3 4.49Å; W84-W151 AromaticContact CZ3-CH2 3.97Å; W84-W151 HydrophobicContact CZ3-CH2 3.97Å; W84-W151 AromaticContact CZ3-CZ3 3.84Å; W84-W151 HydrophobicContact CZ3-CZ3 3.84Å; L95-W151 VanDerWaalsContact O-CH2 3.31Å; L95-W151 WeakPolarHBondContact O-CH2 3.49Å; I106-W151 HydrophobicContact CB-CB 4.43Å; I106-W151 HydrophobicContact CB-CD2 3.73Å; I106-W151 HydrophobicContact CB-CE3 3.57Å; I106-W151 HydrophobicContact CB-CG 4.14Å; I106-W151 HydrophobicContact CB-CZ3 4.05Å; I106-W151 HydrophobicContact CG1-CD2 4.36Å; I106-W151 HydrophobicContact CG1-CE3 3.84Å; I106-W151 HydrophobicContact CG1-CH2 4.25Å; I106-W151 HydrophobicContact CG1-CZ3 3.77Å; I106-W151 HydrophobicContact CG2-CB 4.03Å; I106-W151 HydrophobicContact CG2-CD2 4.04Å; I106-W151 HydrophobicContact CG2-CE3 3.66Å; I106-W151 HydrophobicContact CG2-CG 4.25Å; I106-W151 HydrophobicContact CG2-CZ3 4.4Å; K107-W151 HydrophobicContact CB-CG 4.45Å; A110-W151 WeakPolarHBondContact CB-O 3.28Å; I122-W151 HydrophobicContact CD1-CE3 4.28Å; I122-W151 HydrophobicContact CD1-CZ3 4.17Å; T147-W151 HydrophobicContact CG2-CD2 3.96Å; T147-W151 HydrophobicContact CG2-CE3 3.98Å; T147-W151 HydrophobicContact CG2-CH2 3.56Å; T147-W151 HydrophobicContact CG2-CZ2 3.51Å; T147-W151 HydrophobicContact CG2-CZ3 3.79Å; T147-W151 PolarHBondContact O-N 3.37Å; T147-W151 VanDerWaalsContact O-N 3.08Å; F148-W151 HydrophobicContact CD1-CE3 4.21Å; F148-W151 HydrophobicContact CD1-CZ3 4.27Å; F148-W151 HydrophobicContact CE1-CZ3 4.39Å; F148-W151 PolarHBondContact O-N 2.8Å; A149-W151 PolarHBondContact O-N 3.21Å; W151-V153 VanDerWaalsContact C-N 3.32Å; W151-V153 HydrophobicContact CB-CG2 4.27Å; W151-V153 PolarHBondContact O-N 3Å
152D98.9Very high98.8Very high46 Ų4628.5 Ų28.525%0.24615%0.148CC..THydrogen-bonded Turntrans58.337.1-175.2-61.6-56.2000114.3K107 A110 H114 F148 A149 D150 R184K107-D152 WeakPolarHBondContact CE-OD2 3.34Å; K107-D152 IonicContact NZ-OD2 3.74Å; K107-D152 PolarHBondContact NZ-OD2 3.21Å; A110-D152 HydrophobicContact CB-CB 4.46Å; H114-D152 PolarHBondContact CE1-O 2.93Å; F148-D152 PolarHBondContact O-N 3.41Å; A149-D152 PolarHBondContact O-N 3.42Å; D150-D152 VanDerWaalsContact C-N 3.3Å; D152-R184 VanDerWaalsContact C-CZ 3.43Å; D152-R184 PolarHBondContact O-NH2 3.45Å; D152-R184 IonicContact OD1-CZ 2.63Å; D152-R184 IonicContact OD1-NH1 3.78Å; D152-R184 PolarHBondContact OD1-NH1 2.79Å
153V98.9Very high98.7Very high0 Ų024.4 Ų24.40%013%0.13CC..  trans-67.4141.8172.6170.80000110.8I106 I122 F148 W151 L155 R184 I186I106-V153 HydrophobicContact CG2-CG2 4.33Å; I122-V153 HydrophobicContact CB-CG1 4.09Å; I122-V153 HydrophobicContact CB-CG2 4.25Å; I122-V153 HydrophobicContact CD1-CG2 4.4Å; I122-V153 HydrophobicContact CG2-CG1 3.66Å; I122-V153 HydrophobicContact CG2-CG2 4.13Å; F148-V153 HydrophobicContact CB-CB 4.04Å; F148-V153 HydrophobicContact CB-CG1 4.44Å; F148-V153 HydrophobicContact CB-CG2 4.13Å; F148-V153 WeakPolarHBondContact O-CB 3.12Å; F148-V153 WeakPolarHBondContact O-CG2 3.45Å; F148-V153 PolarHBondContact O-N 3.34Å; W151-V153 VanDerWaalsContact C-N 3.32Å; W151-V153 HydrophobicContact CB-CG2 4.27Å; W151-V153 PolarHBondContact O-N 3Å; V153-L155 WeakPolarHBondContact CG1-O 3.19Å; V153-R184 WeakPolarHBondContact O-CD 3.33Å; V153-R184 PolarHBondContact O-NE 2.87Å; V153-I186 WeakPolarHBondContact O-CG1 3.27Å
154D98.9Very high98.5Very high14 Ų1429.1 Ų29.18%0.07515%0.146CC..  trans-107.1-17.2-177.8-56.4-65000114Y77 H114 K119 L120 R184 I186 L187Y77-D154 HydrophobicContact CE1-CB 4.22Å; H114-D154 IonicContact CD2-OD2 3.91Å; H114-D154 IonicContact CE1-OD2 3.59Å; H114-D154 IonicContact NE2-OD1 3.53Å; H114-D154 IonicContact NE2-OD2 2.77Å; H114-D154 PolarHBondContact NE2-OD2 3.41Å; K119-D154 WeakPolarHBondContact CA-OD2 3.22Å; K119-D154 HydrophobicContact CB-CB 3.8Å; K119-D154 WeakPolarHBondContact CB-OD2 3.48Å; K119-D154 HydrophobicContact CD-CB 4.49Å; K119-D154 HydrophobicContact CG-CB 4.28Å; L120-D154 PolarHBondContact N-OD2 3.04Å; L120-D154 PolarHBondContact O-N 3.34Å; D154-R184 IonicContact OD1-CZ 3.55Å; D154-R184 IonicContact OD1-NH2 3.68Å; D154-R184 PolarHBondContact OD1-NH2 2.98Å; D154-I186 WeakPolarHBondContact O-CA 3.37Å; D154-L187 PolarHBondContact O-N 3.39Å
155L98.9Very high98.3Very high5 Ų533.2 Ų33.23%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-145.6137.6-179.8179.1157.8000110.2T30 Y77 L120 G121 I122 V153 L187T30-L155 HydrophobicContact CG2-CD1 4.05Å; Y77-L155 HydrophobicContact CD1-CB 3.8Å; Y77-L155 HydrophobicContact CD1-CD1 3.76Å; Y77-L155 HydrophobicContact CD1-CG 4.46Å; Y77-L155 HydrophobicContact CE1-CB 3.91Å; Y77-L155 HydrophobicContact CE1-CD1 4.07Å; Y77-L155 HydrophobicContact CG-CD1 4.18Å; L120-L155 PolarHBondContact O-N 2.75Å; G121-L155 CarbonylContact C-O 3.57Å; G121-L155 VanDerWaalsContact CA-O 3.26Å; G121-L155 WeakPolarHBondContact CA-O 3.41Å; I122-L155 PolarHBondContact N-O 3.49Å; V153-L155 WeakPolarHBondContact CG1-O 3.19Å; L155-L187 CarbonylContact C-O 3.59Å; L155-L187 VanDerWaalsContact CA-O 3.28Å; L155-L187 WeakPolarHBondContact CA-O 3.42Å; L155-L187 HydrophobicContact CB-CB 4.07Å; L155-L187 HydrophobicContact CD1-CB 4.26Å; L155-L187 HydrophobicContact CD1-CD1 4.36Å; L155-L187 HydrophobicContact CD1-CD2 3.69Å; L155-L187 HydrophobicContact CD1-CG 4.31Å; L155-L187 HydrophobicContact CG-CB 4.07Å; L155-L187 HydrophobicContact CG-CD2 3.88Å; L155-L187 HydrophobicContact CG-CG 4.49Å
156L98.9Very high98.2Very high0 Ų037.4 Ų37.40%019%0.187CC..EExtended strand (participates in β ladder)trans-115.5120.9168.4177.964.7000109.7I122 A124 F148 F158 M175 L179 I186 L187 Y188 S189I122-L156 HydrophobicContact CG2-CD1 3.79Å; I122-L156 CarbonylContact O-C 3.51Å; I122-L156 WeakPolarHBondContact O-CA 3.38Å; A124-L156 HydrophobicContact CB-CD1 4.05Å; F148-L156 HydrophobicContact CD2-CD1 4.17Å; F148-L156 HydrophobicContact CD2-CD2 4.3Å; F148-L156 HydrophobicContact CE2-CD1 3.77Å; F148-L156 HydrophobicContact CE2-CD2 4.13Å; F148-L156 HydrophobicContact CZ-CD1 4.28Å; L156-F158 HydrophobicContact CD2-CB 4.41Å; L156-F158 HydrophobicContact CD2-CD2 3.99Å; L156-F158 HydrophobicContact CD2-CG 4.36Å; L156-F158 HydrophobicContact CG-CB 4.35Å; L156-F158 HydrophobicContact CG-CD2 4.4Å; L156-M175 HydrophobicContact CD2-CE 4.34Å; L156-M175 HydrophobicContact CD2-CG 3.85Å; L156-M175 HydrophobicContact CD2-SD 3.82Å; L156-L179 HydrophobicContact CD2-CD1 4.05Å; L156-L179 HydrophobicContact CD2-CD2 4.3Å; L156-I186 HydrophobicContact CB-CG2 4.17Å; L156-L187 PolarHBondContact N-O 2.92Å; L156-Y188 HydrophobicContact CB-CD2 4.33Å; L156-Y188 HydrophobicContact CD2-CD2 4.17Å; L156-Y188 HydrophobicContact CD2-CE2 3.98Å; L156-Y188 HydrophobicContact CG-CD2 4.39Å; L156-Y188 HydrophobicContact CG-CE2 4.47Å; L156-S189 PolarHBondContact O-N 2.93Å
157K98.9Very high98.1Very high12 Ų1237.1 Ų37.15%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-85.4127.2157.9179.3-177.9166.4-1640108.4L34 D81 I122 Y123 A124 S189 E191L34-K157 HydrophobicContact CD2-CD 4.35Å; D81-K157 VanDerWaalsContact CG-NZ 3.31Å; D81-K157 IonicContact OD1-NZ 3.66Å; D81-K157 PolarHBondContact OD1-NZ 2.91Å; D81-K157 VanDerWaalsContact OD2-CD 3.22Å; D81-K157 WeakPolarHBondContact OD2-CD 3.45Å; D81-K157 WeakPolarHBondContact OD2-CE 3.44Å; D81-K157 IonicContact OD2-NZ 3.22Å; D81-K157 PolarHBondContact OD2-NZ 2.88Å; I122-K157 PolarHBondContact O-N 3.39Å; Y123-K157 WeakPolarHBondContact CA-O 3.46Å; Y123-K157 HydrophobicContact CD2-CB 4.32Å; Y123-K157 HydrophobicContact CD2-CD 3.87Å; Y123-K157 HydrophobicContact CD2-CG 4Å; Y123-K157 HydrophobicContact CE2-CD 4.38Å; A124-K157 PolarHBondContact N-O 2.73Å; K157-S189 WeakPolarHBondContact CA-O 3.46Å; K157-E191 WeakPolarHBondContact CE-OE1 3.23Å; K157-E191 IonicContact NZ-OE1 3.12Å; K157-E191 PolarHBondContact NZ-OE1 2.97Å
158F98.9Very high98Very high0 Ų037.1 Ų37.10%019%0.188CC..EExtended strand (participates in β ladder)trans-126.3108.1-175.8-153.4-128.3000110.5A124 D125 V126 Y141 L156 Y172 M175 Y188 S189 E191A124-F158 HydrophobicContact CB-CD2 3.82Å; A124-F158 HydrophobicContact CB-CE2 3.79Å; A124-F158 WeakPolarHBondContact O-CA 3.1Å; D125-F158 VanDerWaalsContact C-CE2 3.48Å; D125-F158 WeakPolarHBondContact O-CE2 3.43Å; V126-F158 VanDerWaalsContact CA-CZ 3.43Å; V126-F158 HydrophobicContact CB-CD1 4.02Å; V126-F158 HydrophobicContact CB-CE1 3.55Å; V126-F158 HydrophobicContact CB-CZ 4.04Å; V126-F158 HydrophobicContact CG2-CD1 4.43Å; V126-F158 HydrophobicContact CG2-CE1 3.71Å; V126-F158 HydrophobicContact CG2-CZ 4.37Å; Y141-F158 AromaticContact CD1-CZ 3.96Å; Y141-F158 HydrophobicContact CD1-CZ 3.96Å; Y141-F158 HydrophobicContact CE1-CE1 4.33Å; Y141-F158 AromaticContact CE1-CZ 3.87Å; Y141-F158 HydrophobicContact CE1-CZ 3.87Å; L156-F158 HydrophobicContact CD2-CB 4.41Å; L156-F158 HydrophobicContact CD2-CD2 3.99Å; L156-F158 HydrophobicContact CD2-CG 4.36Å; L156-F158 HydrophobicContact CG-CB 4.35Å; L156-F158 HydrophobicContact CG-CD2 4.4Å; F158-Y172 HydrophobicContact CB-CE1 4.19Å; F158-Y172 AromaticContact CD1-CD1 3.91Å; F158-Y172 HydrophobicContact CD1-CD1 3.91Å; F158-Y172 AromaticContact CD1-CE1 3.85Å; F158-Y172 HydrophobicContact CD1-CE1 3.85Å; F158-Y172 HydrophobicContact CG-CE1 4.46Å; F158-Y172 VanDerWaalsContact O-CE1 3.29Å; F158-Y172 WeakPolarHBondContact O-CE1 3.39Å; F158-Y172 PolarHBondContact O-OH 2.73Å; F158-Y172 VanDerWaalsContact O-OH 3.04Å; F158-M175 HydrophobicContact CD1-CB 4.18Å; F158-M175 HydrophobicContact CD1-CG 4.08Å; F158-M175 HydrophobicContact CD2-CE 4.48Å; F158-M175 HydrophobicContact CD2-CG 4.48Å; F158-M175 HydrophobicContact CE1-CB 3.63Å; F158-M175 HydrophobicContact CE1-CE 4.4Å; F158-M175 HydrophobicContact CE1-CG 3.84Å; F158-M175 HydrophobicContact CE2-CE 3.66Å; F158-M175 HydrophobicContact CE2-CG 4.31Å; F158-M175 HydrophobicContact CG-CG 4.38Å; F158-M175 HydrophobicContact CZ-CB 4.01Å; F158-M175 HydrophobicContact CZ-CE 3.59Å; F158-M175 HydrophobicContact CZ-CG 3.96Å; F158-Y188 HydrophobicContact CB-CD2 4.45Å; F158-Y188 HydrophobicContact CB-CE2 3.55Å; F158-Y188 HydrophobicContact CD1-CE2 4.07Å; F158-Y188 WeakPolarHBondContact CD1-OH 2.97Å; F158-Y188 AromaticContact CG-CE2 3.97Å; F158-Y188 HydrophobicContact CG-CE2 3.97Å; F158-S189 PolarHBondContact N-O 2.76Å; F158-E191 PolarHBondContact O-N 2.93Å
159D98.8Very high97.9Very high10 Ų1037.9 Ų37.95%0.05320%0.195CC..EExtended strand (participates in β ladder)trans-84.7171.7-174-149.2-26.4000112.2Y123 A124 D125 V126 C131 Y172 Y195Y123-D159 HydrophobicContact CE2-CB 3.55Å; Y123-D159 WeakPolarHBondContact CE2-OD2 3.29Å; Y123-D159 WeakPolarHBondContact OH-CB 3.33Å; Y123-D159 VanDerWaalsContact OH-CG 3.3Å; Y123-D159 PolarHBondContact OH-OD2 3.34Å; A124-D159 PolarHBondContact O-N 2.83Å; D125-D159 HydrophobicContact CB-CB 4.27Å; V126-D159 WeakPolarHBondContact CB-O 3.26Å; V126-D159 VanDerWaalsContact CG1-O 3.24Å; V126-D159 WeakPolarHBondContact CG1-O 3.43Å; V126-D159 PolarHBondContact N-O 3.5Å; C131-D159 VanDerWaalsContact SG-CG 3.52Å; C131-D159 PolarHBondContact SG-OD2 3.15Å; D159-Y172 VanDerWaalsContact C-OH 3.3Å; D159-Y172 PolarHBondContact O-OH 2.81Å; D159-Y195 WeakPolarHBondContact OD1-CE2 3.27Å; D159-Y195 VanDerWaalsContact OD1-CZ 3.26Å; D159-Y195 PolarHBondContact OD1-OH 3.39Å
160G98.1Very high97.9Very high2 Ų241.9 Ų41.92%0.02122%0.215CC..  trans-115.86.5-170.300000116.4Y195G160-Y195 VanDerWaalsContact CA-CE2 3.48Å; G160-Y195 VanDerWaalsContact O-CD1 3.3Å; G160-Y195 WeakPolarHBondContact O-CD1 3.45Å; G160-Y195 WeakPolarHBondContact O-CE1 3.42Å
161C97.9Very high97.9Very high25 Ų2537.9 Ų37.917%0.16919%0.194CC..THydrogen-bonded Turntrans-67.2162.6-176.6-75.60000112.4D125 G127 C131 L163 Y195D125-C161 PolarHBondContact OD1-N 2.8Å; D125-C161 VanDerWaalsContact OD2-CB 3.24Å; D125-C161 WeakPolarHBondContact OD2-CB 2.99Å; D125-C161 PolarHBondContact OD2-N 2.78Å; D125-C161 VanDerWaalsContact OD2-N 3.09Å; G127-C161 WeakPolarHBondContact CA-O 3.47Å; C131-C161 WeakPolarHBondContact CA-SG 3.28Å; C131-C161 HydrophobicContact CB-CB 4Å; C131-C161 WeakPolarHBondContact CB-SG 3.44Å; C131-C161 WeakPolarHBondContact SG-CB 3.35Å; C131-C161 CovalentContact SG-SG 2.04Å; C131-C161 PolarHBondContact SG-SG 3.29Å; C161-L163 PolarHBondContact O-N 2.79Å; C161-Y195 PolarHBondContact SG-OH 3.45Å
162N97.9Very high97.9Very high89 Ų8936 Ų3648%0.47619%0.187SC..THydrogen-bonded Turntrans52.731.1168.7-54.6-72.5000115.8E128 K129 T130E128-N162 PolarHBondContact N-O 2.94Å; K129-N162 HydrophobicContact CB-CB 4.31Å; K129-N162 WeakPolarHBondContact O-CB 3.41Å; K129-N162 PolarHBondContact O-ND2 2.99Å; T130-N162 PolarHBondContact O-ND2 2.93Å
163L97Very high97.9Very high32 Ų3236.1 Ų36.117%0.16819%0.187CC..SBendtrans-132.2146.6170.3-16862000110.6V126 L138 C161 W165 L167 L168V126-L163 HydrophobicContact CB-CD2 4.4Å; V126-L163 HydrophobicContact CG1-CB 4.2Å; V126-L163 HydrophobicContact CG1-CD2 3.86Å; V126-L163 HydrophobicContact CG2-CD2 3.79Å; L138-L163 HydrophobicContact CD1-CD1 4.11Å; L138-L163 HydrophobicContact CD2-CD1 3.95Å; C161-L163 PolarHBondContact O-N 2.79Å; L163-W165 PolarHBondContact O-N 2.84Å; L163-L167 HydrophobicContact CD1-CB 4.17Å; L163-L167 HydrophobicContact CD1-CD1 4.21Å; L163-L167 HydrophobicContact CD2-CB 4.08Å; L163-L167 HydrophobicContact CG-CB 4.06Å; L163-L168 HydrophobicContact CB-CD2 4.23Å; L163-L168 HydrophobicContact CD2-CD2 4.22Å
164K96.1Very high97.9Very high155 Ų15541.5 Ų41.567%0.67421%0.211SC*.  trans-65.5132.3171.6-68.3-178.1179.9177.40109.5T166 L167K164-T166 PolarHBondContact O-N 2.73Å; K164-T166 VanDerWaalsContact O-N 3.07Å; K164-L167 HydrophobicContact CB-CD1 4.32Å; K164-L167 HydrophobicContact CB-CG 4.4Å; K164-L167 WeakPolarHBondContact O-CB 3.25Å; K164-L167 PolarHBondContact O-N 3.5Å
165W94.3Very high97.9Very high86 Ų8640.9 Ų40.933%0.32621%0.207SC..G310 helixtrans-54.8-34.7-175.576.2-97.7000113.7L163 L167 L168 F199 Q200L163-W165 PolarHBondContact O-N 2.84Å; W165-L167 PolarHBondContact O-N 2.8Å; W165-L167 VanDerWaalsContact O-N 3.08Å; W165-L168 HydrophobicContact CB-CD1 4.02Å; W165-L168 WeakPolarHBondContact O-CB 3.13Å; W165-L168 PolarHBondContact O-N 3.42Å; W165-L168 VanDerWaalsContact O-N 3.14Å; W165-F199 HydrophobicContact CB-CD2 3.43Å; W165-F199 VanDerWaalsContact CB-CD2 3.43Å; W165-F199 HydrophobicContact CB-CE2 3.48Å; W165-F199 VanDerWaalsContact CB-CE2 3.48Å; W165-F199 HydrophobicContact CB-CG 4.15Å; W165-F199 HydrophobicContact CB-CZ 4.22Å; W165-F199 AromaticContact CD1-CD1 3.59Å; W165-F199 AromaticContact CD1-CD2 3.74Å; W165-F199 AromaticContact CD1-CE1 3.67Å; W165-F199 AromaticContact CD1-CE2 3.82Å; W165-F199 AromaticContact CD1-CG 3.62Å; W165-F199 AromaticContact CD1-CZ 3.78Å; W165-F199 HydrophobicContact CD2-CB 3.81Å; W165-F199 HydrophobicContact CD2-CD1 4.4Å; W165-F199 AromaticContact CD2-CD2 3.95Å; W165-F199 HydrophobicContact CD2-CD2 3.95Å; W165-F199 AromaticContact CD2-CG 3.78Å; W165-F199 HydrophobicContact CD2-CG 3.78Å; W165-F199 AromaticContact CE2-CG 3.94Å; W165-F199 HydrophobicContact CE3-CB 4.08Å; W165-F199 HydrophobicContact CE3-CG 4.46Å; W165-F199 HydrophobicContact CG-CB 4.18Å; W165-F199 HydrophobicContact CG-CD1 4.07Å; W165-F199 AromaticContact CG-CD2 3.42Å; W165-F199 HydrophobicContact CG-CD2 3.42Å; W165-F199 VanDerWaalsContact CG-CD2 3.42Å; W165-F199 HydrophobicContact CG-CE1 4.34Å; W165-F199 AromaticContact CG-CE2 3.74Å; W165-F199 HydrophobicContact CG-CE2 3.74Å; W165-F199 AromaticContact CG-CG 3.61Å; W165-F199 HydrophobicContact CG-CG 3.61Å; W165-F199 HydrophobicContact CG-CZ 4.18Å; W165-F199 HydrophobicContact CH2-CB 4.49Å; W165-F199 HydrophobicContact CZ2-CB 4.24Å; W165-F199 HydrophobicContact CZ3-CB 4.42Å; W165-F199 AromaticContact NE1-CD1 3.66Å; W165-F199 AromaticContact NE1-CG 3.82Å; W165-Q200 HydrophobicContact CZ3-CG 4.16Å
166T96.2Very high97.9Very high87 Ų8741.2 Ų41.253%0.53421%0.21SC..G310 helixtrans-65.3-11.8177.660.40000114.1K164K164-T166 PolarHBondContact O-N 2.73Å; K164-T166 VanDerWaalsContact O-N 3.07Å
167L97.4Very high97.9Very high79 Ų7948 Ų4841%0.41424%0.24SC..G310 helixtrans-108.5-7.2179.1-58.6178.1000112.8L163 K164 W165 D170 G171L163-L167 HydrophobicContact CD1-CB 4.17Å; L163-L167 HydrophobicContact CD1-CD1 4.21Å; L163-L167 HydrophobicContact CD2-CB 4.08Å; L163-L167 HydrophobicContact CG-CB 4.06Å; K164-L167 HydrophobicContact CB-CD1 4.32Å; K164-L167 HydrophobicContact CB-CG 4.4Å; K164-L167 WeakPolarHBondContact O-CB 3.25Å; K164-L167 PolarHBondContact O-N 3.5Å; W165-L167 PolarHBondContact O-N 2.8Å; W165-L167 VanDerWaalsContact O-N 3.08Å; L167-D170 PolarHBondContact O-N 2.97Å; L167-G171 PolarHBondContact O-N 3.02Å; L167-G171 VanDerWaalsContact O-N 3.12Å
168L96.2Very high97.9Very high3 Ų347.8 Ų47.82%0.01624%0.24CC..Hα-helixtrans-57.4-54.9-176.2-73.1167.2000111.1V126 L163 W165 D170 G171 Y172V126-L168 HydrophobicContact CG1-CD2 3.71Å; L163-L168 HydrophobicContact CB-CD2 4.23Å; L163-L168 HydrophobicContact CD2-CD2 4.22Å; W165-L168 HydrophobicContact CB-CD1 4.02Å; W165-L168 WeakPolarHBondContact O-CB 3.13Å; W165-L168 PolarHBondContact O-N 3.42Å; W165-L168 VanDerWaalsContact O-N 3.14Å; L168-D170 VanDerWaalsContact C-N 3.3Å; L168-D170 PolarHBondContact O-N 3.15Å; L168-G171 WeakPolarHBondContact O-CA 3.38Å; L168-G171 PolarHBondContact O-N 3.47Å; L168-Y172 HydrophobicContact CB-CD2 4.37Å; L168-Y172 HydrophobicContact CB-CE2 4.37Å; L168-Y172 HydrophobicContact CD2-CE2 4.18Å; L168-Y172 VanDerWaalsContact O-CD2 3.23Å; L168-Y172 WeakPolarHBondContact O-CD2 3.37Å; L168-Y172 PolarHBondContact O-N 2.92Å
169G97.6Very high97.9Very high15 Ų1548.1 Ų48.116%0.15524%0.242CC..Hα-helixtrans-56.6-42.4-17700000113.6G171 Y172 I173G169-G171 VanDerWaalsContact C-N 3.33Å; G169-G171 PolarHBondContact O-N 3.34Å; G169-Y172 PolarHBondContact O-N 3.29Å; G169-I173 WeakPolarHBondContact O-CB 3.41Å; G169-I173 WeakPolarHBondContact O-CD1 3.37Å; G169-I173 VanDerWaalsContact O-CG1 3.25Å; G169-I173 WeakPolarHBondContact O-CG1 3.39Å; G169-I173 PolarHBondContact O-N 3.02Å
170D98.3Very high97.8Very high94 Ų9453.5 Ų53.550%0.50327%0.27SS..Hα-helixtrans-61.6-40.5174.7-84.8-0.8000112.3L167 L168 K174L167-D170 PolarHBondContact O-N 2.97Å; L168-D170 VanDerWaalsContact C-N 3.3Å; L168-D170 PolarHBondContact O-N 3.15Å; D170-K174 WeakPolarHBondContact O-CB 3.46Å; D170-K174 WeakPolarHBondContact O-CD 3.28Å; D170-K174 WeakPolarHBondContact O-CG 3.28Å; D170-K174 PolarHBondContact O-N 3.3Å
171G98.6Very high97.9Very high2 Ų260.1 Ų60.12%0.02130%0.299CS..Hα-helixtrans-64.4-49.317700000112.3L167 L168 G169 I173 K174 M175L167-G171 PolarHBondContact O-N 3.02Å; L167-G171 VanDerWaalsContact O-N 3.12Å; L168-G171 WeakPolarHBondContact O-CA 3.38Å; L168-G171 PolarHBondContact O-N 3.47Å; G169-G171 VanDerWaalsContact C-N 3.33Å; G169-G171 PolarHBondContact O-N 3.34Å; G171-I173 PolarHBondContact O-N 3.43Å; G171-K174 PolarHBondContact O-N 2.97Å; G171-M175 PolarHBondContact O-N 3.25Å
172Y98.9Very high97.9Very high0 Ų060.3 Ų60.30%030%0.299CS..Hα-helixtrans-60.4-43.7178-80.4-77.9000112.4V126 F158 D159 L168 G169 M175 S176 Y188 C190 E191 W192V126-Y172 HydrophobicContact CB-CE2 4.46Å; V126-Y172 HydrophobicContact CG1-CE2 4.28Å; V126-Y172 HydrophobicContact CG2-CD2 4.48Å; F158-Y172 HydrophobicContact CB-CE1 4.19Å; F158-Y172 AromaticContact CD1-CD1 3.91Å; F158-Y172 HydrophobicContact CD1-CD1 3.91Å; F158-Y172 AromaticContact CD1-CE1 3.85Å; F158-Y172 HydrophobicContact CD1-CE1 3.85Å; F158-Y172 HydrophobicContact CG-CE1 4.46Å; F158-Y172 VanDerWaalsContact O-CE1 3.29Å; F158-Y172 WeakPolarHBondContact O-CE1 3.39Å; F158-Y172 PolarHBondContact O-OH 2.73Å; F158-Y172 VanDerWaalsContact O-OH 3.04Å; D159-Y172 VanDerWaalsContact C-OH 3.3Å; D159-Y172 PolarHBondContact O-OH 2.81Å; L168-Y172 HydrophobicContact CB-CD2 4.37Å; L168-Y172 HydrophobicContact CB-CE2 4.37Å; L168-Y172 HydrophobicContact CD2-CE2 4.18Å; L168-Y172 VanDerWaalsContact O-CD2 3.23Å; L168-Y172 WeakPolarHBondContact O-CD2 3.37Å; L168-Y172 PolarHBondContact O-N 2.92Å; G169-Y172 PolarHBondContact O-N 3.29Å; Y172-M175 PolarHBondContact O-N 3.04Å; Y172-S176 WeakPolarHBondContact O-CB 3.4Å; Y172-S176 PolarHBondContact O-N 2.93Å; Y172-Y188 WeakPolarHBondContact CA-OH 3.44Å; Y172-Y188 WeakPolarHBondContact CD1-OH 3.14Å; Y172-Y188 PolarHBondContact O-OH 2.87Å; Y172-Y188 VanDerWaalsContact O-OH 3.08Å; Y172-C190 HydrophobicContact CD1-CB 3.75Å; Y172-C190 HydrophobicContact CE1-CB 3.66Å; Y172-E191 WeakPolarHBondContact OH-CA 3.4Å; Y172-E191 PolarHBondContact OH-N 3.24Å; Y172-E191 VanDerWaalsContact OH-N 3.17Å; Y172-W192 HydrophobicContact CD1-CB 4.11Å; Y172-W192 HydrophobicContact CD2-CB 3.42Å; Y172-W192 VanDerWaalsContact CD2-CB 3.42Å; Y172-W192 HydrophobicContact CD2-CD2 4.02Å; Y172-W192 HydrophobicContact CD2-CE3 4.33Å; Y172-W192 AromaticContact CD2-CG 3.6Å; Y172-W192 HydrophobicContact CD2-CG 3.6Å; Y172-W192 HydrophobicContact CE1-CB 4.14Å; Y172-W192 VanDerWaalsContact CE2-CA 3.41Å; Y172-W192 HydrophobicContact CE2-CB 3.48Å; Y172-W192 VanDerWaalsContact CE2-CB 3.48Å; Y172-W192 HydrophobicContact CE2-CG 4.02Å; Y172-W192 HydrophobicContact CG-CB 3.78Å; Y172-W192 HydrophobicContact CG-CD2 4.23Å; Y172-W192 HydrophobicContact CG-CE3 4.07Å; Y172-W192 HydrophobicContact CG-CG 4.12Å; Y172-W192 VanDerWaalsContact CZ-N 3.26Å; Y172-W192 PolarHBondContact OH-N 3.03Å
173I98.8Very high97.9Very high48 Ų4859.4 Ų59.425%0.24631%0.31CS..Hα-helixtrans-64.8-41.3176.8-70.1165000111.4G169 G171 S176 K177 W192 T210G169-I173 WeakPolarHBondContact O-CB 3.41Å; G169-I173 WeakPolarHBondContact O-CD1 3.37Å; G169-I173 VanDerWaalsContact O-CG1 3.25Å; G169-I173 WeakPolarHBondContact O-CG1 3.39Å; G169-I173 PolarHBondContact O-N 3.02Å; G171-I173 PolarHBondContact O-N 3.43Å; I173-S176 PolarHBondContact O-N 2.91Å; I173-K177 HydrophobicContact CG2-CD 4.08Å; I173-K177 WeakPolarHBondContact O-CG 3.46Å; I173-K177 PolarHBondContact O-N 3.37Å; I173-W192 HydrophobicContact CD1-CH2 3.98Å; I173-W192 HydrophobicContact CD1-CZ3 4.35Å; I173-W192 HydrophobicContact CG1-CH2 4.21Å; I173-W192 HydrophobicContact CG1-CZ3 4.06Å; I173-T210 HydrophobicContact CG1-CG2 4.13Å
174K98.8Very high98Very high114 Ų11461 Ų6150%0.49631%0.314SS..Hα-helixtrans-64.4-44.2178.4-78.5168.8-173.7169.10111.7Y141 D170 G171 K177 A178Y141-K174 HydrophobicContact CD2-CB 3.73Å; Y141-K174 HydrophobicContact CD2-CD 4.1Å; Y141-K174 HydrophobicContact CE2-CB 4.16Å; Y141-K174 HydrophobicContact CE2-CD 4.04Å; Y141-K174 HydrophobicContact CG-CB 4.45Å; D170-K174 WeakPolarHBondContact O-CB 3.46Å; D170-K174 WeakPolarHBondContact O-CD 3.28Å; D170-K174 WeakPolarHBondContact O-CG 3.28Å; D170-K174 PolarHBondContact O-N 3.3Å; G171-K174 PolarHBondContact O-N 2.97Å; K174-K177 PolarHBondContact O-N 3.21Å; K174-A178 VanDerWaalsContact O-CB 3.31Å; K174-A178 WeakPolarHBondContact O-CB 3.43Å; K174-A178 PolarHBondContact O-N 3.14Å
175M98.9Very high98.1Very high0 Ų057.2 Ų57.20%031%0.307CS..Hα-helixtrans-64.5-44.4176.1176.35776.400111.5Y141 D144 A145 L156 F158 G171 Y172 K177 A178 L179 Y188Y141-M175 HydrophobicContact CD1-CE 3.97Å; D144-M175 HydrophobicContact CB-CE 4.35Å; A145-M175 HydrophobicContact CB-SD 4.03Å; L156-M175 HydrophobicContact CD2-CE 4.34Å; L156-M175 HydrophobicContact CD2-CG 3.85Å; L156-M175 HydrophobicContact CD2-SD 3.82Å; F158-M175 HydrophobicContact CD1-CB 4.18Å; F158-M175 HydrophobicContact CD1-CG 4.08Å; F158-M175 HydrophobicContact CD2-CE 4.48Å; F158-M175 HydrophobicContact CD2-CG 4.48Å; F158-M175 HydrophobicContact CE1-CB 3.63Å; F158-M175 HydrophobicContact CE1-CE 4.4Å; F158-M175 HydrophobicContact CE1-CG 3.84Å; F158-M175 HydrophobicContact CE2-CE 3.66Å; F158-M175 HydrophobicContact CE2-CG 4.31Å; F158-M175 HydrophobicContact CG-CG 4.38Å; F158-M175 HydrophobicContact CZ-CB 4.01Å; F158-M175 HydrophobicContact CZ-CE 3.59Å; F158-M175 HydrophobicContact CZ-CG 3.96Å; G171-M175 PolarHBondContact O-N 3.25Å; Y172-M175 PolarHBondContact O-N 3.04Å; M175-K177 VanDerWaalsContact C-N 3.34Å; M175-K177 PolarHBondContact O-N 3.05Å; M175-A178 WeakPolarHBondContact O-CB 3.44Å; M175-A178 PolarHBondContact O-N 2.67Å; M175-A178 VanDerWaalsContact O-N 3.08Å; M175-L179 HydrophobicContact CG-CD1 4.23Å; M175-L179 HydrophobicContact CG-CG 4.38Å; M175-L179 WeakPolarHBondContact O-CG 3.25Å; M175-L179 PolarHBondContact O-N 2.8Å; M175-L179 HydrophobicContact SD-CD1 4.36Å; M175-L179 HydrophobicContact SD-CD2 4.26Å; M175-L179 HydrophobicContact SD-CG 3.94Å; M175-Y188 HydrophobicContact CB-CE2 4.46Å; M175-Y188 WeakPolarHBondContact CB-OH 3.35Å; M175-Y188 HydrophobicContact CG-CE2 3.7Å
176S98.8Very high98.3Very high13 Ų1353.4 Ų53.49%0.09129%0.293CS..Hα-helixtrans-55.4-47175-178.90000112.5Y172 I173 A178 L179 N180 T210Y172-S176 WeakPolarHBondContact O-CB 3.4Å; Y172-S176 PolarHBondContact O-N 2.93Å; I173-S176 PolarHBondContact O-N 2.91Å; S176-A178 PolarHBondContact O-N 3.34Å; S176-L179 PolarHBondContact O-N 3.14Å; S176-N180 PolarHBondContact O-N 3.05Å; S176-N180 VanDerWaalsContact O-N 3.07Å; S176-T210 WeakPolarHBondContact CB-O 3.45Å; S176-T210 PolarHBondContact OG-O 3.45Å
177K98.7Very high98.4Very high143 Ų14349.2 Ų49.262%0.62227%0.268SS*.Hα-helixtrans-63.7-40175-72.3173.9-179.6173.60112.6I173 K174 M175 N180 K181I173-K177 HydrophobicContact CG2-CD 4.08Å; I173-K177 WeakPolarHBondContact O-CG 3.46Å; I173-K177 PolarHBondContact O-N 3.37Å; K174-K177 PolarHBondContact O-N 3.21Å; M175-K177 VanDerWaalsContact C-N 3.34Å; M175-K177 PolarHBondContact O-N 3.05Å; K177-N180 PolarHBondContact O-N 3.26Å; K177-K181 WeakPolarHBondContact O-CB 3.43Å; K177-K181 PolarHBondContact O-N 2.9Å
178A98.9Very high98.5Very high6 Ų645.5 Ų45.55%0.0525%0.248CC..Hα-helixtrans-64-45.6178.200000111.4E142 A145 K174 M175 S176 N180 K181 T182E142-A178 HydrophobicContact CG-CB 4.29Å; A145-A178 HydrophobicContact CB-CB 3.63Å; K174-A178 VanDerWaalsContact O-CB 3.31Å; K174-A178 WeakPolarHBondContact O-CB 3.43Å; K174-A178 PolarHBondContact O-N 3.14Å; M175-A178 WeakPolarHBondContact O-CB 3.44Å; M175-A178 PolarHBondContact O-N 2.67Å; M175-A178 VanDerWaalsContact O-N 3.08Å; S176-A178 PolarHBondContact O-N 3.34Å; A178-N180 PolarHBondContact O-N 2.92Å; A178-K181 WeakPolarHBondContact O-CB 3.38Å; A178-K181 PolarHBondContact O-N 2.76Å; A178-T182 WeakPolarHBondContact O-CG2 3.45Å; A178-T182 PolarHBondContact O-N 3Å
179L98.9Very high98.6Very high8 Ų845.6 Ų45.64%0.04225%0.249CC..Hα-helixtrans-57.7-49174.4-69.3171.3000111.2A145 L156 M175 S176 K181 T182 I186 Y188A145-L179 HydrophobicContact CB-CD2 3.99Å; A145-L179 HydrophobicContact CB-CG 4.34Å; L156-L179 HydrophobicContact CD2-CD1 4.05Å; L156-L179 HydrophobicContact CD2-CD2 4.3Å; M175-L179 HydrophobicContact CG-CD1 4.23Å; M175-L179 HydrophobicContact CG-CG 4.38Å; M175-L179 WeakPolarHBondContact O-CG 3.25Å; M175-L179 PolarHBondContact O-N 2.8Å; M175-L179 HydrophobicContact SD-CD1 4.36Å; M175-L179 HydrophobicContact SD-CD2 4.26Å; M175-L179 HydrophobicContact SD-CG 3.94Å; S176-L179 PolarHBondContact O-N 3.14Å; L179-K181 VanDerWaalsContact C-N 3.3Å; L179-K181 PolarHBondContact O-N 3.09Å; L179-T182 WeakPolarHBondContact O-CB 3.24Å; L179-T182 PolarHBondContact O-N 3.49Å; L179-T182 VanDerWaalsContact O-N 3.14Å; L179-T182 PolarHBondContact O-OG1 3.07Å; L179-I186 HydrophobicContact CD2-CB 4.24Å; L179-I186 HydrophobicContact CD2-CD1 3.74Å; L179-I186 HydrophobicContact CD2-CG2 4.08Å; L179-Y188 HydrophobicContact CD1-CD2 3.56Å; L179-Y188 HydrophobicContact CD1-CE2 4.06Å; L179-Y188 HydrophobicContact CD1-CG 3.86Å
180N98.4Very high98.7Very high122 Ų12244.9 Ų44.965%0.65224%0.242SC*.Hα-helixtrans-59.4-39.9178.2-170.322000112.4S176 K177 A178 T182 G183S176-N180 PolarHBondContact O-N 3.05Å; S176-N180 VanDerWaalsContact O-N 3.07Å; K177-N180 PolarHBondContact O-N 3.26Å; A178-N180 PolarHBondContact O-N 2.92Å; N180-T182 PolarHBondContact O-N 3.45Å; N180-G183 PolarHBondContact O-N 3.44Å; N180-G183 VanDerWaalsContact O-N 3.11Å
181K98.6Very high98.7Very high142 Ų14240.5 Ų40.562%0.61722%0.218SC*.Hα-helixtrans-62.1-24.6178.9-175.2-178.4174.3-1720113.3E142 K177 A178 L179 G183E142-K181 IonicContact OE1-NZ 2.73Å; E142-K181 PolarHBondContact OE1-NZ 3.44Å; E142-K181 IonicContact OE2-NZ 2.76Å; E142-K181 PolarHBondContact OE2-NZ 3.23Å; K177-K181 WeakPolarHBondContact O-CB 3.43Å; K177-K181 PolarHBondContact O-N 2.9Å; A178-K181 WeakPolarHBondContact O-CB 3.38Å; A178-K181 PolarHBondContact O-N 2.76Å; L179-K181 VanDerWaalsContact C-N 3.3Å; L179-K181 PolarHBondContact O-N 3.09Å; K181-G183 PolarHBondContact O-N 2.85Å
182T98.7Very high98.7Very high28 Ų2841 Ų4117%0.17222%0.219CC..THydrogen-bonded Turntrans-67.5-22.6176.972.80000113.1A145 A149 A178 L179 N180 R184A145-T182 HydrophobicContact CB-CG2 4.2Å; A149-T182 HydrophobicContact CB-CG2 3.76Å; A178-T182 WeakPolarHBondContact O-CG2 3.45Å; A178-T182 PolarHBondContact O-N 3Å; L179-T182 WeakPolarHBondContact O-CB 3.24Å; L179-T182 PolarHBondContact O-N 3.49Å; L179-T182 VanDerWaalsContact O-N 3.14Å; L179-T182 PolarHBondContact O-OG1 3.07Å; N180-T182 PolarHBondContact O-N 3.45Å; T182-R184 PolarHBondContact O-N 3.48Å; T182-R184 PolarHBondContact OG1-N 3.08Å; T182-R184 VanDerWaalsContact OG1-N 3.17Å
183G98Very high98.7Very high70 Ų7041 Ų4172%0.72222%0.219SC*.  trans76.4-2-173.700000114.9N180 K181N180-G183 PolarHBondContact O-N 3.44Å; N180-G183 VanDerWaalsContact O-N 3.11Å; K181-G183 PolarHBondContact O-N 2.85Å
184R98.3Very high98.7Very high65 Ų6539.8 Ų39.825%0.24521%0.213CC..SBendtrans-88.6136.2172.5-173.2178.217985.47.9110.3A149 D152 V153 D154 T182 I186A149-R184 HydrophobicContact CB-CB 4.1Å; D152-R184 VanDerWaalsContact C-CZ 3.43Å; D152-R184 PolarHBondContact O-NH2 3.45Å; D152-R184 IonicContact OD1-CZ 2.63Å; D152-R184 IonicContact OD1-NH1 3.78Å; D152-R184 PolarHBondContact OD1-NH1 2.79Å; V153-R184 WeakPolarHBondContact O-CD 3.33Å; V153-R184 PolarHBondContact O-NE 2.87Å; D154-R184 IonicContact OD1-CZ 3.55Å; D154-R184 IonicContact OD1-NH2 3.68Å; D154-R184 PolarHBondContact OD1-NH2 2.98Å; T182-R184 PolarHBondContact O-N 3.48Å; T182-R184 PolarHBondContact OG1-N 3.08Å; T182-R184 VanDerWaalsContact OG1-N 3.17Å; R184-I186 HydrophobicContact CB-CD1 4.4Å; R184-I186 HydrophobicContact CB-CG1 4.22Å; R184-I186 HydrophobicContact CG-CD1 4.46Å; R184-I186 HydrophobicContact CG-CG1 4Å; R184-I186 PolarHBondContact O-N 2.9Å; R184-I186 VanDerWaalsContact O-N 3.08Å
185S98.3Very high98.7Very high76 Ų7637.1 Ų37.153%0.53120%0.2SC..  trans-71.599.8171.2-59.10000110.3
186I98.9Very high98.6Very high6 Ų637.9 Ų37.93%0.03120%0.204CC..  trans-115121.7176.5-56.9178.7000108.5A149 V153 D154 L156 L179 R184A149-I186 HydrophobicContact CB-CD1 4.33Å; V153-I186 WeakPolarHBondContact O-CG1 3.27Å; D154-I186 WeakPolarHBondContact O-CA 3.37Å; L156-I186 HydrophobicContact CB-CG2 4.17Å; L179-I186 HydrophobicContact CD2-CB 4.24Å; L179-I186 HydrophobicContact CD2-CD1 3.74Å; L179-I186 HydrophobicContact CD2-CG2 4.08Å; R184-I186 HydrophobicContact CB-CD1 4.4Å; R184-I186 HydrophobicContact CB-CG1 4.22Å; R184-I186 HydrophobicContact CG-CD1 4.46Å; R184-I186 HydrophobicContact CG-CG1 4Å; R184-I186 PolarHBondContact O-N 2.9Å; R184-I186 VanDerWaalsContact O-N 3.08Å
187L98.8Very high98.5Very high0 Ų039.5 Ų39.50%021%0.208CC..EExtended strand (participates in β ladder)trans-68.1132.1174-168.5153.8000109.1L25 A26 T30 D154 L155 L156 N212 H213L25-L187 HydrophobicContact CD1-CB 4.04Å; A26-L187 HydrophobicContact CB-CD1 4.04Å; T30-L187 HydrophobicContact CG2-CD1 3.98Å; T30-L187 WeakPolarHBondContact OG1-CD1 3.41Å; D154-L187 PolarHBondContact O-N 3.39Å; L155-L187 CarbonylContact C-O 3.59Å; L155-L187 VanDerWaalsContact CA-O 3.28Å; L155-L187 WeakPolarHBondContact CA-O 3.42Å; L155-L187 HydrophobicContact CB-CB 4.07Å; L155-L187 HydrophobicContact CD1-CB 4.26Å; L155-L187 HydrophobicContact CD1-CD1 4.36Å; L155-L187 HydrophobicContact CD1-CD2 3.69Å; L155-L187 HydrophobicContact CD1-CG 4.31Å; L155-L187 HydrophobicContact CG-CB 4.07Å; L155-L187 HydrophobicContact CG-CD2 3.88Å; L155-L187 HydrophobicContact CG-CG 4.49Å; L156-L187 PolarHBondContact N-O 2.92Å; L187-N212 WeakPolarHBondContact CA-OD1 3.31Å; L187-N212 HydrophobicContact CD2-CB 3.9Å; L187-N212 HydrophobicContact CG-CB 3.89Å; L187-H213 WeakPolarHBondContact CD2-NE2 3.37Å
188Y98.9Very high98.4Very high1 Ų137.5 Ų37.50%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-113.1107.7-175.5-171-138000112.5L156 F158 Y172 M175 L179 C190 T210 N212 H213L156-Y188 HydrophobicContact CB-CD2 4.33Å; L156-Y188 HydrophobicContact CD2-CD2 4.17Å; L156-Y188 HydrophobicContact CD2-CE2 3.98Å; L156-Y188 HydrophobicContact CG-CD2 4.39Å; L156-Y188 HydrophobicContact CG-CE2 4.47Å; F158-Y188 HydrophobicContact CB-CD2 4.45Å; F158-Y188 HydrophobicContact CB-CE2 3.55Å; F158-Y188 HydrophobicContact CD1-CE2 4.07Å; F158-Y188 WeakPolarHBondContact CD1-OH 2.97Å; F158-Y188 AromaticContact CG-CE2 3.97Å; F158-Y188 HydrophobicContact CG-CE2 3.97Å; Y172-Y188 WeakPolarHBondContact CA-OH 3.44Å; Y172-Y188 WeakPolarHBondContact CD1-OH 3.14Å; Y172-Y188 PolarHBondContact O-OH 2.87Å; Y172-Y188 VanDerWaalsContact O-OH 3.08Å; M175-Y188 HydrophobicContact CB-CE2 4.46Å; M175-Y188 WeakPolarHBondContact CB-OH 3.35Å; M175-Y188 HydrophobicContact CG-CE2 3.7Å; L179-Y188 HydrophobicContact CD1-CD2 3.56Å; L179-Y188 HydrophobicContact CD1-CE2 4.06Å; L179-Y188 HydrophobicContact CD1-CG 3.86Å; Y188-C190 VanDerWaalsContact CD1-SG 3.51Å; Y188-C190 WeakPolarHBondContact CE1-SG 3.48Å; Y188-T210 VanDerWaalsContact CD1-O 3.28Å; Y188-T210 WeakPolarHBondContact CD1-O 3.3Å; Y188-T210 HydrophobicContact CE1-CG2 4.09Å; Y188-N212 PolarHBondContact N-OD1 3.12Å; Y188-N212 WeakPolarHBondContact O-CB 3.11Å; Y188-N212 PolarHBondContact O-N 3.01Å; Y188-H213 PolarHBondContact O-N 2.85Å
189S98.9Very high98.3Very high5 Ų543 Ų434%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-97.4120.9176.1-179.90000110L156 K157 F158 H213L156-S189 PolarHBondContact O-N 2.93Å; K157-S189 WeakPolarHBondContact CA-O 3.46Å; F158-S189 PolarHBondContact N-O 2.76Å; S189-H213 WeakPolarHBondContact CA-O 3.14Å; S189-H213 WeakPolarHBondContact CB-CE1 3.38Å; S189-H213 WeakPolarHBondContact CB-ND1 3.2Å; S189-H213 PolarHBondContact OG-CE1 3.14Å; S189-H213 PolarHBondContact OG-ND1 3.29Å
190C98.9Very high98.2Very high0 Ų046.9 Ų46.90%025%0.251CS..EExtended strand (participates in β ladder)trans-112145.2-172.9-60.90000112.3Y172 Y188 W192 C211 H213 W214 R215Y172-C190 HydrophobicContact CD1-CB 3.75Å; Y172-C190 HydrophobicContact CE1-CB 3.66Å; Y188-C190 VanDerWaalsContact CD1-SG 3.51Å; Y188-C190 WeakPolarHBondContact CE1-SG 3.48Å; C190-W192 HydrophobicContact CB-CB 4.47Å; C190-C211 HydrophobicContact CB-CB 3.79Å; C190-C211 WeakPolarHBondContact CB-SG 3.46Å; C190-C211 WeakPolarHBondContact SG-CB 3.42Å; C190-C211 CovalentContact SG-SG 2.02Å; C190-C211 PolarHBondContact SG-SG 3.15Å; C190-H213 PolarHBondContact N-O 2.94Å; C190-W214 HydrophobicContact CB-CB 4.4Å; C190-W214 CarbonylContact O-C 3.28Å; C190-W214 WeakPolarHBondContact O-CA 3.48Å; C190-R215 PolarHBondContact O-N 2.87Å
191E98.8Very high98.1Very high1 Ų145.8 Ų45.81%0.00525%0.248CC..  trans-101.214.3166.2-54-147.117600113.1K157 F158 Y172 L194 Y195 R215K157-E191 WeakPolarHBondContact CE-OE1 3.23Å; K157-E191 IonicContact NZ-OE1 3.12Å; K157-E191 PolarHBondContact NZ-OE1 2.97Å; F158-E191 PolarHBondContact O-N 2.93Å; Y172-E191 WeakPolarHBondContact OH-CA 3.4Å; Y172-E191 PolarHBondContact OH-N 3.24Å; Y172-E191 VanDerWaalsContact OH-N 3.17Å; E191-L194 WeakPolarHBondContact O-CB 3.5Å; E191-L194 PolarHBondContact O-N 3.44Å; E191-L194 WeakPolarHBondContact OE2-CD2 3.35Å; E191-Y195 HydrophobicContact CB-CD2 3.94Å; E191-Y195 HydrophobicContact CB-CE2 3.8Å; E191-Y195 WeakPolarHBondContact O-CD2 3.36Å; E191-Y195 PolarHBondContact O-N 2.94Å; E191-R215 HydrophobicContact CB-CB 4.27Å; E191-R215 HydrophobicContact CG-CB 3.93Å; E191-R215 HydrophobicContact CG-CG 4.01Å; E191-R215 IonicContact OE1-NH1 2.78Å; E191-R215 PolarHBondContact OE1-NH1 2.67Å; E191-R215 IonicContact OE2-NH1 3.73Å
192W98.6Very high98Very high13 Ų1339.3 Ų39.35%0.04922%0.221CC..Hα-helixtrans-48.5-58.5-175.5-176.1-4.4000113.6Y172 I173 C190 L194 Y195 E196 A206 I207 T210Y172-W192 HydrophobicContact CD1-CB 4.11Å; Y172-W192 HydrophobicContact CD2-CB 3.42Å; Y172-W192 VanDerWaalsContact CD2-CB 3.42Å; Y172-W192 HydrophobicContact CD2-CD2 4.02Å; Y172-W192 HydrophobicContact CD2-CE3 4.33Å; Y172-W192 AromaticContact CD2-CG 3.6Å; Y172-W192 HydrophobicContact CD2-CG 3.6Å; Y172-W192 HydrophobicContact CE1-CB 4.14Å; Y172-W192 VanDerWaalsContact CE2-CA 3.41Å; Y172-W192 HydrophobicContact CE2-CB 3.48Å; Y172-W192 VanDerWaalsContact CE2-CB 3.48Å; Y172-W192 HydrophobicContact CE2-CG 4.02Å; Y172-W192 HydrophobicContact CG-CB 3.78Å; Y172-W192 HydrophobicContact CG-CD2 4.23Å; Y172-W192 HydrophobicContact CG-CE3 4.07Å; Y172-W192 HydrophobicContact CG-CG 4.12Å; Y172-W192 VanDerWaalsContact CZ-N 3.26Å; Y172-W192 PolarHBondContact OH-N 3.03Å; I173-W192 HydrophobicContact CD1-CH2 3.98Å; I173-W192 HydrophobicContact CD1-CZ3 4.35Å; I173-W192 HydrophobicContact CG1-CH2 4.21Å; I173-W192 HydrophobicContact CG1-CZ3 4.06Å; C190-W192 HydrophobicContact CB-CB 4.47Å; W192-L194 VanDerWaalsContact C-N 3.33Å; W192-L194 PolarHBondContact O-N 2.85Å; W192-Y195 PolarHBondContact O-N 3.27Å; W192-E196 PolarHBondContact NE1-OE2 3.03Å; W192-E196 PolarHBondContact O-N 2.71Å; W192-A206 HydrophobicContact CH2-CB 4.01Å; W192-I207 HydrophobicContact CD2-CG1 3.78Å; W192-I207 HydrophobicContact CE3-CG1 3.78Å; W192-I207 HydrophobicContact CG-CG1 4.2Å; W192-I207 HydrophobicContact CZ2-CG1 4.5Å; W192-I207 HydrophobicContact CZ3-CG1 4.18Å; W192-T210 HydrophobicContact CZ3-CG2 4.25Å
193P98.6Very high98Very high0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-61.9-39-175.315.3-20.6000112.8Y195 E196 W197 P202 Y204 I207 W214 R215 N216P193-Y195 VanDerWaalsContact C-N 3.3Å; P193-Y195 PolarHBondContact O-N 2.84Å; P193-E196 PolarHBondContact O-N 3.32Å; P193-E196 VanDerWaalsContact O-N 3.09Å; P193-W197 PolarHBondContact O-N 3.46Å; P193-P202 HydrophobicContact CB-CB 3.9Å; P193-P202 HydrophobicContact CB-CG 3.78Å; P193-Y204 HydrophobicContact CB-CE1 4.29Å; P193-Y204 HydrophobicContact CG-CE1 4.39Å; P193-I207 HydrophobicContact CB-CD1 3.79Å; P193-I207 HydrophobicContact CG-CD1 3.91Å; P193-I207 HydrophobicContact CG-CG2 4.45Å; P193-W214 HydrophobicContact CG-CB 3.75Å; P193-W214 HydrophobicContact CG-CG 3.97Å; P193-R215 WeakPolarHBondContact CG-O 3.21Å; P193-N216 WeakPolarHBondContact CG-OD1 3.48Å
194L98.5Very high98Very high22 Ų2239.6 Ų39.612%0.11520%0.204CC..Hα-helixtrans-50.8-48.8176.6170.158.3000112.2E191 W192 E196 P198 R215 F217E191-L194 WeakPolarHBondContact O-CB 3.5Å; E191-L194 PolarHBondContact O-N 3.44Å; E191-L194 WeakPolarHBondContact OE2-CD2 3.35Å; W192-L194 VanDerWaalsContact C-N 3.33Å; W192-L194 PolarHBondContact O-N 2.85Å; L194-E196 VanDerWaalsContact C-N 3.31Å; L194-E196 PolarHBondContact O-N 3.18Å; L194-P198 VanDerWaalsContact O-CD 3.29Å; L194-P198 WeakPolarHBondContact O-CD 3.49Å; L194-R215 WeakPolarHBondContact CB-O 3.33Å; L194-R215 PolarHBondContact N-O 2.88Å; L194-R215 VanDerWaalsContact N-O 3.11Å; L194-F217 VanDerWaalsContact CD1-C 3.48Å
195Y98.4Very high97.9Very high58 Ų5839.3 Ų39.323%0.22721%0.21CC..Hα-helixtrans-80.9-10.9-176.8-73.8-95.7000113.8C131 D159 G160 C161 E191 W192 P193C131-Y195 PolarHBondContact SG-OH 2.79Å; C131-Y195 VanDerWaalsContact SG-OH 3.33Å; D159-Y195 WeakPolarHBondContact OD1-CE2 3.27Å; D159-Y195 VanDerWaalsContact OD1-CZ 3.26Å; D159-Y195 PolarHBondContact OD1-OH 3.39Å; G160-Y195 VanDerWaalsContact CA-CE2 3.48Å; G160-Y195 VanDerWaalsContact O-CD1 3.3Å; G160-Y195 WeakPolarHBondContact O-CD1 3.45Å; G160-Y195 WeakPolarHBondContact O-CE1 3.42Å; C161-Y195 PolarHBondContact SG-OH 3.45Å; E191-Y195 HydrophobicContact CB-CD2 3.94Å; E191-Y195 HydrophobicContact CB-CE2 3.8Å; E191-Y195 WeakPolarHBondContact O-CD2 3.36Å; E191-Y195 PolarHBondContact O-N 2.94Å; W192-Y195 PolarHBondContact O-N 3.27Å; P193-Y195 VanDerWaalsContact C-N 3.3Å; P193-Y195 PolarHBondContact O-N 2.84Å
196E97.3Very high97.9Very high16 Ų1636.7 Ų36.78%0.07519%0.193CC..Hα-helixtrans-94.7-34.1177.2-175.6167-142.600112.6W192 P193 L194 P198 F199 Q200 P202W192-E196 PolarHBondContact NE1-OE2 3.03Å; W192-E196 PolarHBondContact O-N 2.71Å; P193-E196 PolarHBondContact O-N 3.32Å; P193-E196 VanDerWaalsContact O-N 3.09Å; L194-E196 VanDerWaalsContact C-N 3.31Å; L194-E196 PolarHBondContact O-N 3.18Å; E196-P198 VanDerWaalsContact C-N 3.31Å; E196-P198 VanDerWaalsContact O-N 3.15Å; E196-F199 PolarHBondContact O-N 2.99Å; E196-Q200 CarbonylContact C-O 3.33Å; E196-Q200 HydrophobicContact CG-CG 3.69Å; E196-Q200 PolarHBondContact O-N 3.11Å; E196-Q200 VanDerWaalsContact O-O 3.07Å; E196-Q200 PolarHBondContact OE1-NE2 3.24Å; E196-P202 HydrophobicContact CB-CG 4.16Å; E196-P202 HydrophobicContact CG-CB 4.47Å; E196-P202 HydrophobicContact CG-CG 4.29Å; E196-P202 WeakPolarHBondContact OE2-CA 3.18Å; E196-P202 WeakPolarHBondContact OE2-CB 3.5Å
197W96.8Very high97.8Very high48 Ų4836.4 Ų36.418%0.18219%0.191CC..THydrogen-bonded Turntrans-48.5-38.6179.3-85.9121.2000115.5P193 F199 Q200 T201 P202 Y204 N216 W233 H237 I241P193-W197 PolarHBondContact O-N 3.46Å; W197-F199 PolarHBondContact O-N 3.16Å; W197-F199 VanDerWaalsContact O-N 3.15Å; W197-Q200 WeakPolarHBondContact CA-O 3.4Å; W197-T201 HydrophobicContact CH2-CG2 3.94Å; W197-T201 HydrophobicContact CZ3-CG2 3.91Å; W197-P202 HydrophobicContact CD2-CG 3.73Å; W197-P202 VanDerWaalsContact CE2-CD 3.43Å; W197-P202 VanDerWaalsContact CE3-CD 3.44Å; W197-P202 HydrophobicContact CE3-CG 4.33Å; W197-P202 HydrophobicContact CG-CG 3.88Å; W197-P202 HydrophobicContact CZ2-CG 4.29Å; W197-Y204 AromaticContact CZ2-CE2 3.83Å; W197-Y204 HydrophobicContact CZ2-CE2 3.83Å; W197-Y204 AromaticContact CZ2-CZ 3.99Å; W197-Y204 WeakPolarHBondContact CZ2-OH 3.26Å; W197-Y204 PolarHBondContact NE1-OH 3.01Å; W197-N216 PolarHBondContact NE1-O 3.28Å; W197-W233 AromaticContact CD1-CZ2 3.91Å; W197-W233 HydrophobicContact CD2-CZ2 4.03Å; W197-W233 AromaticContact CE2-CH2 3.76Å; W197-W233 AromaticContact CE2-CZ2 3.52Å; W197-W233 HydrophobicContact CG-CZ2 4.27Å; W197-W233 AromaticContact CZ2-CH2 3.88Å; W197-W233 HydrophobicContact CZ2-CH2 3.88Å; W197-W233 AromaticContact CZ2-CZ2 3.85Å; W197-W233 HydrophobicContact CZ2-CZ2 3.85Å; W197-W233 AromaticContact NE1-CH2 3.5Å; W197-W233 AromaticContact NE1-CZ2 3.47Å; W197-H237 AromaticContact CH2-CD2 3.67Å; W197-H237 AromaticContact CZ3-CD2 3.95Å; W197-I241 HydrophobicContact CZ2-CG2 4.48Å
198P97.1Very high97.8Very high100 Ų10037.6 Ų37.665%0.64920%0.196SC*.THydrogen-bonded Turntrans-62.8-17.3176.8-25.635.8000114.6L194 E196L194-P198 VanDerWaalsContact O-CD 3.29Å; L194-P198 WeakPolarHBondContact O-CD 3.49Å; E196-P198 VanDerWaalsContact C-N 3.31Å; E196-P198 VanDerWaalsContact O-N 3.15Å
199F97.4Very high97.7Very high121 Ų12142.8 Ų42.853%0.53122%0.22SC..THydrogen-bonded Turntrans-115.1-38.8-173.7-53.6-74.6000112.7W165 E196 W197W165-F199 HydrophobicContact CB-CD2 3.43Å; W165-F199 VanDerWaalsContact CB-CD2 3.43Å; W165-F199 HydrophobicContact CB-CE2 3.48Å; W165-F199 VanDerWaalsContact CB-CE2 3.48Å; W165-F199 HydrophobicContact CB-CG 4.15Å; W165-F199 HydrophobicContact CB-CZ 4.22Å; W165-F199 AromaticContact CD1-CD1 3.59Å; W165-F199 AromaticContact CD1-CD2 3.74Å; W165-F199 AromaticContact CD1-CE1 3.67Å; W165-F199 AromaticContact CD1-CE2 3.82Å; W165-F199 AromaticContact CD1-CG 3.62Å; W165-F199 AromaticContact CD1-CZ 3.78Å; W165-F199 HydrophobicContact CD2-CB 3.81Å; W165-F199 HydrophobicContact CD2-CD1 4.4Å; W165-F199 AromaticContact CD2-CD2 3.95Å; W165-F199 HydrophobicContact CD2-CD2 3.95Å; W165-F199 AromaticContact CD2-CG 3.78Å; W165-F199 HydrophobicContact CD2-CG 3.78Å; W165-F199 AromaticContact CE2-CG 3.94Å; W165-F199 HydrophobicContact CE3-CB 4.08Å; W165-F199 HydrophobicContact CE3-CG 4.46Å; W165-F199 HydrophobicContact CG-CB 4.18Å; W165-F199 HydrophobicContact CG-CD1 4.07Å; W165-F199 AromaticContact CG-CD2 3.42Å; W165-F199 HydrophobicContact CG-CD2 3.42Å; W165-F199 VanDerWaalsContact CG-CD2 3.42Å; W165-F199 HydrophobicContact CG-CE1 4.34Å; W165-F199 AromaticContact CG-CE2 3.74Å; W165-F199 HydrophobicContact CG-CE2 3.74Å; W165-F199 AromaticContact CG-CG 3.61Å; W165-F199 HydrophobicContact CG-CG 3.61Å; W165-F199 HydrophobicContact CG-CZ 4.18Å; W165-F199 HydrophobicContact CH2-CB 4.49Å; W165-F199 HydrophobicContact CZ2-CB 4.24Å; W165-F199 HydrophobicContact CZ3-CB 4.42Å; W165-F199 AromaticContact NE1-CD1 3.66Å; W165-F199 AromaticContact NE1-CG 3.82Å; E196-F199 PolarHBondContact O-N 2.99Å; W197-F199 PolarHBondContact O-N 3.16Å; W197-F199 VanDerWaalsContact O-N 3.15Å
200Q95.9Very high97.7Very high91 Ų9143 Ų4343%0.42522%0.221SC..SBendtrans-159.3163.7178.964.3-1782600112.1W165 E196 W197 P202W165-Q200 HydrophobicContact CZ3-CG 4.16Å; E196-Q200 CarbonylContact C-O 3.33Å; E196-Q200 HydrophobicContact CG-CG 3.69Å; E196-Q200 PolarHBondContact O-N 3.11Å; E196-Q200 VanDerWaalsContact O-O 3.07Å; E196-Q200 PolarHBondContact OE1-NE2 3.24Å; W197-Q200 WeakPolarHBondContact CA-O 3.4Å; Q200-P202 VanDerWaalsContact O-CD 3.31Å; Q200-P202 WeakPolarHBondContact O-CD 3.36Å
201T96.1Very high97.7Very high98 Ų9843 Ų4360%0.60122%0.221SC*.  trans-65.2122169.8-55.80000109.8W197W197-T201 HydrophobicContact CH2-CG2 3.94Å; W197-T201 HydrophobicContact CZ3-CG2 3.91Å
202P97.6Very high97.7Very high7 Ų743 Ų435%0.04522%0.221CC..  trans-65.3149.2-178.5-22.934000113.5P193 E196 W197 Q200 Y204 I207P193-P202 HydrophobicContact CB-CB 3.9Å; P193-P202 HydrophobicContact CB-CG 3.78Å; E196-P202 HydrophobicContact CB-CG 4.16Å; E196-P202 HydrophobicContact CG-CB 4.47Å; E196-P202 HydrophobicContact CG-CG 4.29Å; E196-P202 WeakPolarHBondContact OE2-CA 3.18Å; E196-P202 WeakPolarHBondContact OE2-CB 3.5Å; W197-P202 HydrophobicContact CD2-CG 3.73Å; W197-P202 VanDerWaalsContact CE2-CD 3.43Å; W197-P202 VanDerWaalsContact CE3-CD 3.44Å; W197-P202 HydrophobicContact CE3-CG 4.33Å; W197-P202 HydrophobicContact CG-CG 3.88Å; W197-P202 HydrophobicContact CZ2-CG 4.29Å; Q200-P202 VanDerWaalsContact O-CD 3.31Å; Q200-P202 WeakPolarHBondContact O-CD 3.36Å; P202-Y204 HydrophobicContact CB-CE2 4.21Å; P202-Y204 PolarHBondContact O-N 3.14Å; P202-I207 HydrophobicContact CB-CD1 3.67Å
203N97.2Very high97.7Very high90 Ų9042.3 Ų42.348%0.48122%0.219SC..  trans-85.191.4172.3-177.8-2.6000110.8T205 A206 I207N203-T205 PolarHBondContact O-N 3.16Å; N203-T205 VanDerWaalsContact O-N 3.13Å; N203-T205 WeakPolarHBondContact OD1-CB 3.48Å; N203-T205 PolarHBondContact OD1-N 3.36Å; N203-A206 HydrophobicContact CB-CB 4.38Å; N203-A206 PolarHBondContact O-N 2.77Å; N203-A206 VanDerWaalsContact O-N 3.16Å; N203-A206 PolarHBondContact OD1-N 2.89Å; N203-I207 WeakPolarHBondContact O-CG1 3.32Å; N203-I207 PolarHBondContact O-N 2.76Å; N203-I207 VanDerWaalsContact O-N 3.11Å
204Y97.8Very high97.7Very high13 Ų1342.3 Ų42.35%0.05122%0.219CC..Hα-helixtrans-62.8-18.6179.7-75.7-83.3000114.8P193 W197 P202 I207 R208 W214 N216 I241 S244P193-Y204 HydrophobicContact CB-CE1 4.29Å; P193-Y204 HydrophobicContact CG-CE1 4.39Å; W197-Y204 AromaticContact CZ2-CE2 3.83Å; W197-Y204 HydrophobicContact CZ2-CE2 3.83Å; W197-Y204 AromaticContact CZ2-CZ 3.99Å; W197-Y204 WeakPolarHBondContact CZ2-OH 3.26Å; W197-Y204 PolarHBondContact NE1-OH 3.01Å; P202-Y204 HydrophobicContact CB-CE2 4.21Å; P202-Y204 PolarHBondContact O-N 3.14Å; Y204-I207 HydrophobicContact CD1-CD1 4.39Å; Y204-R208 WeakPolarHBondContact O-CB 3.44Å; Y204-R208 PolarHBondContact O-N 3Å; Y204-W214 HydrophobicContact CD1-CZ2 4.41Å; Y204-W214 AromaticContact CD1-NE1 3.53Å; Y204-W214 AromaticContact CE1-CD1 3.73Å; Y204-W214 AromaticContact CE1-NE1 3.37Å; Y204-N216 VanDerWaalsContact CE1-OD1 3.28Å; Y204-N216 WeakPolarHBondContact CE1-OD1 3.13Å; Y204-N216 PolarHBondContact OH-OD1 2.99Å; Y204-I241 HydrophobicContact CE1-CG2 4.11Å; Y204-I241 HydrophobicContact CE2-CG2 3.9Å; Y204-I241 WeakPolarHBondContact OH-CG2 3.46Å; Y204-S244 VanDerWaalsContact CB-OG 3.23Å; Y204-S244 WeakPolarHBondContact CB-OG 3.34Å
205T96.6Very high97.7Very high60 Ų6041.4 Ų41.437%0.36821%0.214SC..Hα-helixtrans-66.9-51.8173.2-55.30000109.9V18 N203 I207 R208 E209V18-T205 HydrophobicContact CB-CG2 4.48Å; V18-T205 HydrophobicContact CG1-CG2 3.59Å; V18-T205 HydrophobicContact CG2-CG2 4.05Å; N203-T205 PolarHBondContact O-N 3.16Å; N203-T205 VanDerWaalsContact O-N 3.13Å; N203-T205 WeakPolarHBondContact OD1-CB 3.48Å; N203-T205 PolarHBondContact OD1-N 3.36Å; T205-I207 VanDerWaalsContact C-N 3.33Å; T205-I207 PolarHBondContact O-N 2.65Å; T205-R208 PolarHBondContact O-N 3.28Å; T205-E209 WeakPolarHBondContact O-CG 3.49Å; T205-E209 PolarHBondContact O-N 2.8Å
206A97.8Very high97.8Very high21 Ų2139 Ų3917%0.17421%0.205CC..Hα-helixtrans-64.4-38.4178.500000112.2W192 N203 E209 T210W192-A206 HydrophobicContact CH2-CB 4.01Å; N203-A206 HydrophobicContact CB-CB 4.38Å; N203-A206 PolarHBondContact O-N 2.77Å; N203-A206 VanDerWaalsContact O-N 3.16Å; N203-A206 PolarHBondContact OD1-N 2.89Å; A206-E209 PolarHBondContact O-N 3.29Å; A206-T210 VanDerWaalsContact O-CB 3.28Å; A206-T210 WeakPolarHBondContact O-CB 3.38Å; A206-T210 PolarHBondContact O-N 3.46Å; A206-T210 PolarHBondContact O-OG1 2.89Å
207I98.5Very high97.8Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-63.1-46.6176.2-65.6162.8000110.3W192 P193 P202 N203 Y204 T205 E209 T210 C211 W214W192-I207 HydrophobicContact CD2-CG1 3.78Å; W192-I207 HydrophobicContact CE3-CG1 3.78Å; W192-I207 HydrophobicContact CG-CG1 4.2Å; W192-I207 HydrophobicContact CZ2-CG1 4.5Å; W192-I207 HydrophobicContact CZ3-CG1 4.18Å; P193-I207 HydrophobicContact CB-CD1 3.79Å; P193-I207 HydrophobicContact CG-CD1 3.91Å; P193-I207 HydrophobicContact CG-CG2 4.45Å; P202-I207 HydrophobicContact CB-CD1 3.67Å; N203-I207 WeakPolarHBondContact O-CG1 3.32Å; N203-I207 PolarHBondContact O-N 2.76Å; N203-I207 VanDerWaalsContact O-N 3.11Å; Y204-I207 HydrophobicContact CD1-CD1 4.39Å; T205-I207 VanDerWaalsContact C-N 3.33Å; T205-I207 PolarHBondContact O-N 2.65Å; I207-E209 PolarHBondContact O-N 2.9Å; I207-T210 PolarHBondContact O-N 3.27Å; I207-C211 HydrophobicContact CG2-CB 4.44Å; I207-C211 WeakPolarHBondContact O-CB 3.17Å; I207-C211 PolarHBondContact O-N 2.96Å; I207-W214 HydrophobicContact CG2-CB 3.75Å; I207-W214 HydrophobicContact CG2-CD2 3.49Å; I207-W214 VanDerWaalsContact CG2-CD2 3.49Å; I207-W214 HydrophobicContact CG2-CE3 3.68Å; I207-W214 HydrophobicContact CG2-CG 3.51Å; I207-W214 HydrophobicContact CG2-CZ3 4.48Å
208R98.1Very high97.9Very high24 Ų2442.3 Ų42.39%0.09123%0.225CC..Hα-helixtrans-63.6-38.4179.7176.3170.6-175.67712.6112.9V18 A20 L21 Y204 T205 T210 W214 S244 P247 G249V18-R208 HydrophobicContact CG1-CB 4.31Å; V18-R208 HydrophobicContact CG1-CG 4.2Å; V18-R208 PolarHBondContact O-NE 3.41Å; V18-R208 VanDerWaalsContact O-NE 3.09Å; A20-R208 CarbonylContact C-O 3.57Å; A20-R208 WeakPolarHBondContact CA-O 3.44Å; A20-R208 HydrophobicContact CB-CG 3.95Å; L21-R208 PolarHBondContact N-O 3.22Å; Y204-R208 WeakPolarHBondContact O-CB 3.44Å; Y204-R208 PolarHBondContact O-N 3Å; T205-R208 PolarHBondContact O-N 3.28Å; R208-T210 PolarHBondContact O-N 2.96Å; R208-W214 HydrophobicContact CB-CH2 3.78Å; R208-W214 HydrophobicContact CB-CZ3 4.1Å; R208-W214 HydrophobicContact CG-CH2 4.04Å; R208-W214 HydrophobicContact CG-CZ3 4.44Å; R208-S244 WeakPolarHBondContact CD-O 3.34Å; R208-S244 PolarHBondContact NH1-O 3.38Å; R208-P247 PolarHBondContact NH2-O 2.77Å; R208-G249 PolarHBondContact NH1-O 3.36Å
209E97.5Very high97.9Very high110 Ų11040.9 Ų40.951%0.51421%0.212SC..Hα-helixtrans-67.9-20.9173.9-71.7172.4-179.400112.7E19 T205 A206 I207E19-E209 WeakPolarHBondContact O-CG 3.3Å; T205-E209 WeakPolarHBondContact O-CG 3.49Å; T205-E209 PolarHBondContact O-N 2.8Å; A206-E209 PolarHBondContact O-N 3.29Å; I207-E209 PolarHBondContact O-N 2.9Å
210T98.6Very high98Very high10 Ų1035.4 Ų35.46%0.06119%0.188CC..Hα-helixtrans-100.1-35.5-173.4-59.50000113L21 I173 S176 Y188 W192 A206 I207 R208L21-T210 WeakPolarHBondContact CD2-O 3.4Å; I173-T210 HydrophobicContact CG1-CG2 4.13Å; S176-T210 WeakPolarHBondContact CB-O 3.45Å; S176-T210 PolarHBondContact OG-O 3.45Å; Y188-T210 VanDerWaalsContact CD1-O 3.28Å; Y188-T210 WeakPolarHBondContact CD1-O 3.3Å; Y188-T210 HydrophobicContact CE1-CG2 4.09Å; W192-T210 HydrophobicContact CZ3-CG2 4.25Å; A206-T210 VanDerWaalsContact O-CB 3.28Å; A206-T210 WeakPolarHBondContact O-CB 3.38Å; A206-T210 PolarHBondContact O-N 3.46Å; A206-T210 PolarHBondContact O-OG1 2.89Å; I207-T210 PolarHBondContact O-N 3.27Å; R208-T210 PolarHBondContact O-N 2.96Å
211C98.8Very high98.1Very high0 Ų036.3 Ų36.30%019%0.191CC..  trans-127.3146.7-162-57.90000112.4C190 I207 W214C190-C211 HydrophobicContact CB-CB 3.79Å; C190-C211 WeakPolarHBondContact CB-SG 3.46Å; C190-C211 WeakPolarHBondContact SG-CB 3.42Å; C190-C211 CovalentContact SG-SG 2.02Å; C190-C211 PolarHBondContact SG-SG 3.15Å; I207-C211 HydrophobicContact CG2-CB 4.44Å; I207-C211 WeakPolarHBondContact O-CB 3.17Å; I207-C211 PolarHBondContact O-N 2.96Å; C211-W214 HydrophobicContact CB-CE3 4.01Å
212N98.9Very high98.2Very high0 Ų033.3 Ų33.30%017%0.171CC..SBendtrans-82.6-30.1174.3-70.7126.6000113.8N23 A26 L187 Y188 G248 G249 W250N23-N212 PolarHBondContact ND2-OD1 3.35Å; N23-N212 PolarHBondContact OD1-ND2 3.05Å; A26-N212 HydrophobicContact CB-CB 3.85Å; L187-N212 WeakPolarHBondContact CA-OD1 3.31Å; L187-N212 HydrophobicContact CD2-CB 3.9Å; L187-N212 HydrophobicContact CG-CB 3.89Å; Y188-N212 PolarHBondContact N-OD1 3.12Å; Y188-N212 WeakPolarHBondContact O-CB 3.11Å; Y188-N212 PolarHBondContact O-N 3.01Å; N212-G248 VanDerWaalsContact CA-O 3.31Å; N212-G248 WeakPolarHBondContact CA-O 3.2Å; N212-G248 PolarHBondContact ND2-O 3.15Å; N212-G249 CarbonylContact O-C 3.49Å; N212-G249 WeakPolarHBondContact O-CA 3.43Å; N212-W250 PolarHBondContact O-N 3.08Å
213H98.8Very high98.3Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-154.3162.1162.648.589.6000110T30 L187 Y188 S189 C190 W250 D252 P281T30-H213 PolarHBondContact OG1-CD2 2.65Å; T30-H213 VanDerWaalsContact OG1-CD2 3.26Å; T30-H213 PolarHBondContact OG1-NE2 2.91Å; T30-H213 VanDerWaalsContact OG1-NE2 3.14Å; L187-H213 WeakPolarHBondContact CD2-NE2 3.37Å; Y188-H213 PolarHBondContact O-N 2.85Å; S189-H213 WeakPolarHBondContact CA-O 3.14Å; S189-H213 WeakPolarHBondContact CB-CE1 3.38Å; S189-H213 WeakPolarHBondContact CB-ND1 3.2Å; S189-H213 PolarHBondContact OG-CE1 3.14Å; S189-H213 PolarHBondContact OG-ND1 3.29Å; C190-H213 PolarHBondContact N-O 2.94Å; H213-W250 CarbonylContact C-O 3.52Å; H213-W250 WeakPolarHBondContact CA-O 3.41Å; H213-W250 HydrophobicContact CB-CB 3.97Å; H213-W250 VanDerWaalsContact CB-O 3.25Å; H213-W250 WeakPolarHBondContact CB-O 3.07Å; H213-D252 IonicContact ND1-OD2 2.73Å; H213-P281 HydrophobicContact CB-CG 4.12Å
214W98.9Very high98.3Very high0 Ų030.7 Ų30.70%016%0.158CC..EExtended strand (participates in β ladder)trans-143.2129.9-173.150.381.9000113.7C190 P193 Y204 I207 R208 C211 N216 S244 G249 W250 N251 D252C190-W214 HydrophobicContact CB-CB 4.4Å; C190-W214 CarbonylContact O-C 3.28Å; C190-W214 WeakPolarHBondContact O-CA 3.48Å; P193-W214 HydrophobicContact CG-CB 3.75Å; P193-W214 HydrophobicContact CG-CG 3.97Å; Y204-W214 HydrophobicContact CD1-CZ2 4.41Å; Y204-W214 AromaticContact CD1-NE1 3.53Å; Y204-W214 AromaticContact CE1-CD1 3.73Å; Y204-W214 AromaticContact CE1-NE1 3.37Å; I207-W214 HydrophobicContact CG2-CB 3.75Å; I207-W214 HydrophobicContact CG2-CD2 3.49Å; I207-W214 VanDerWaalsContact CG2-CD2 3.49Å; I207-W214 HydrophobicContact CG2-CE3 3.68Å; I207-W214 HydrophobicContact CG2-CG 3.51Å; I207-W214 HydrophobicContact CG2-CZ3 4.48Å; R208-W214 HydrophobicContact CB-CH2 3.78Å; R208-W214 HydrophobicContact CB-CZ3 4.1Å; R208-W214 HydrophobicContact CG-CH2 4.04Å; R208-W214 HydrophobicContact CG-CZ3 4.44Å; C211-W214 HydrophobicContact CB-CE3 4.01Å; W214-N216 VanDerWaalsContact CD1-OD1 3.26Å; W214-N216 PolarHBondContact O-N 2.97Å; W214-S244 WeakPolarHBondContact CH2-O 3.5Å; W214-S244 WeakPolarHBondContact CZ2-O 3.34Å; W214-G249 VanDerWaalsContact CH2-C 3.45Å; W214-W250 PolarHBondContact N-O 2.81Å; W214-N251 PolarHBondContact NE1-OD1 2.02Å; W214-D252 VanDerWaalsContact O-CB 3.3Å; W214-D252 WeakPolarHBondContact O-CB 3.49Å; W214-D252 PolarHBondContact O-N 3.17Å
215R98.9Very high98.4Very high3 Ų335.4 Ų35.41%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-71.6122.2174.8-74.2-77.1-51.5-64.32.4109.6C190 E191 P193 L194 F217 N218 D219 D252 D254C190-R215 PolarHBondContact O-N 2.87Å; E191-R215 HydrophobicContact CB-CB 4.27Å; E191-R215 HydrophobicContact CG-CB 3.93Å; E191-R215 HydrophobicContact CG-CG 4.01Å; E191-R215 IonicContact OE1-NH1 2.78Å; E191-R215 PolarHBondContact OE1-NH1 2.67Å; E191-R215 IonicContact OE2-NH1 3.73Å; P193-R215 WeakPolarHBondContact CG-O 3.21Å; L194-R215 WeakPolarHBondContact CB-O 3.33Å; L194-R215 PolarHBondContact N-O 2.88Å; L194-R215 VanDerWaalsContact N-O 3.11Å; R215-F217 PolarHBondContact NH2-O 3.29Å; R215-N218 PolarHBondContact NH2-O 3.13Å; R215-D219 IonicContact CZ-OD1 2.73Å; R215-D219 IonicContact NH1-OD1 2.65Å; R215-D219 PolarHBondContact NH1-OD1 2.78Å; R215-D219 VanDerWaalsContact NH2-CA 3.33Å; R215-D219 IonicContact NH2-OD1 2.85Å; R215-D219 PolarHBondContact NH2-OD1 3.46Å; R215-D252 WeakPolarHBondContact CA-O 3.31Å; R215-D252 VanDerWaalsContact CD-CG 3.47Å; R215-D252 HydrophobicContact CG-CB 4.22Å; R215-D254 IonicContact CZ-OD1 2.92Å; R215-D254 IonicContact CZ-OD2 2.79Å; R215-D254 IonicContact NE-OD1 3.17Å; R215-D254 IonicContact NE-OD2 2.7Å; R215-D254 IonicContact NH1-OD1 3.28Å; R215-D254 IonicContact NH1-OD2 3.29Å; R215-D254 IonicContact NH2-OD2 3.4Å; R215-D254 PolarHBondContact NH2-OD2 2.75Å; R215-D254 VanDerWaalsContact NH2-OD2 3.17Å
216N98.6Very high98.5Very high7 Ų732.6 Ų32.64%0.03717%0.166CC..  trans-99.9-28.8-174.7-75.7-44.1000114.3P193 W197 Y204 W214 W233 N251 D252P193-N216 WeakPolarHBondContact CG-OD1 3.48Å; W197-N216 PolarHBondContact NE1-O 3.28Å; Y204-N216 VanDerWaalsContact CE1-OD1 3.28Å; Y204-N216 WeakPolarHBondContact CE1-OD1 3.13Å; Y204-N216 PolarHBondContact OH-OD1 2.99Å; W214-N216 VanDerWaalsContact CD1-OD1 3.26Å; W214-N216 PolarHBondContact O-N 2.97Å; N216-W233 HydrophobicContact CB-CH2 3.6Å; N216-W233 HydrophobicContact CB-CZ3 3.54Å; N216-N251 WeakPolarHBondContact ND2-CB 3.47Å; N216-N251 PolarHBondContact ND2-OD1 3.02Å; N216-D252 PolarHBondContact N-O 2.84Å
217F98.5Very high98.5Very high37 Ų3731.6 Ų31.616%0.16216%0.158CC..SBendtrans-140.6171.8-168.1-167.8-120.6000110.7L194 R215 I230 W233L194-F217 VanDerWaalsContact CD1-C 3.48Å; R215-F217 PolarHBondContact NH2-O 3.29Å; F217-I230 HydrophobicContact CD1-CG1 4Å; F217-I230 HydrophobicContact CE1-CG1 4.48Å; F217-W233 HydrophobicContact CB-CD2 3.86Å; F217-W233 HydrophobicContact CB-CE3 3.82Å; F217-W233 HydrophobicContact CB-CG 4.3Å; F217-W233 HydrophobicContact CB-CZ3 4.3Å; F217-W233 HydrophobicContact CD1-CB 3.94Å; F217-W233 HydrophobicContact CD1-CG 4.08Å; F217-W233 HydrophobicContact CD2-CB 4.08Å; F217-W233 AromaticContact CD2-CD1 3.26Å; F217-W233 AromaticContact CD2-CD2 3.6Å; F217-W233 HydrophobicContact CD2-CD2 3.6Å; F217-W233 AromaticContact CD2-CE2 3.69Å; F217-W233 HydrophobicContact CD2-CE3 4.44Å; F217-W233 AromaticContact CD2-CG 3.36Å; F217-W233 HydrophobicContact CD2-CG 3.36Å; F217-W233 AromaticContact CD2-NE1 3.42Å; F217-W233 HydrophobicContact CE1-CB 3.91Å; F217-W233 HydrophobicContact CE1-CG 4.25Å; F217-W233 HydrophobicContact CE2-CB 4.06Å; F217-W233 AromaticContact CE2-CD1 3.19Å; F217-W233 HydrophobicContact CE2-CD2 4.3Å; F217-W233 AromaticContact CE2-CG 3.58Å; F217-W233 HydrophobicContact CE2-CG 3.58Å; F217-W233 AromaticContact CE2-NE1 3.7Å; F217-W233 HydrophobicContact CG-CB 4.02Å; F217-W233 AromaticContact CG-CD2 3.73Å; F217-W233 HydrophobicContact CG-CD2 3.73Å; F217-W233 HydrophobicContact CG-CE3 4.16Å; F217-W233 AromaticContact CG-CG 3.64Å; F217-W233 HydrophobicContact CG-CG 3.64Å; F217-W233 HydrophobicContact CZ-CB 3.96Å; F217-W233 AromaticContact CZ-CD1 3.9Å; F217-W233 HydrophobicContact CZ-CG 4.02Å
218N97.8Very high98.6Very high96 Ų9634.1 Ų34.151%0.51317%0.169SC..PPolyproline II helixtrans-48.7156.6-174.6-62.3-14.9000113.4R215 V220R215-N218 PolarHBondContact NH2-O 3.13Å; N218-V220 PolarHBondContact O-N 3.08Å
219D98.4Very high98.6Very high71 Ų7135.1 Ų35.138%0.3818%0.179SC..PPolyproline II helixtrans-55.3134.8174.8-69.9-1.7000112.4R215 D254R215-D219 IonicContact CZ-OD1 2.73Å; R215-D219 IonicContact NH1-OD1 2.65Å; R215-D219 PolarHBondContact NH1-OD1 2.78Å; R215-D219 VanDerWaalsContact NH2-CA 3.33Å; R215-D219 IonicContact NH2-OD1 2.85Å; R215-D219 PolarHBondContact NH2-OD1 3.46Å; D219-D254 VanDerWaalsContact CA-OD2 3.31Å; D219-D254 WeakPolarHBondContact CA-OD2 3.33Å
220V98.8Very high98.7Very high6 Ų630 Ų304%0.03616%0.155CC..PPolyproline II helixtrans-69.2142.4167.673.60000109E37 N218 S226 I227 I230 D254 M255 V257E37-V220 HydrophobicContact CG-CG1 4.25Å; N218-V220 PolarHBondContact O-N 3.08Å; V220-S226 WeakPolarHBondContact CA-OG 3.21Å; V220-I227 HydrophobicContact CG2-CD1 3.85Å; V220-I230 HydrophobicContact CB-CD1 3.83Å; V220-I230 HydrophobicContact CG2-CD1 3.8Å; V220-D254 HydrophobicContact CB-CB 4.03Å; V220-D254 HydrophobicContact CG1-CB 3.96Å; V220-D254 WeakPolarHBondContact CG1-OD2 3.2Å; V220-D254 PolarHBondContact N-OD2 3.41Å; V220-M255 HydrophobicContact CG1-CB 4.01Å; V220-M255 HydrophobicContact CG1-CE 4.16Å; V220-V257 HydrophobicContact CG1-CG1 3.88Å; V220-V257 HydrophobicContact CG2-CG1 3.93Å
221F98.1Very high98.7Very high110 Ų11029.6 Ų29.648%0.48215%0.153SC..  trans-137.8155.6170.658.3-91000108.6S223 S226F221-S223 PolarHBondContact O-N 3.32Å; F221-S226 WeakPolarHBondContact CD1-OG 3.14Å; F221-S226 PolarHBondContact N-OG 2.87Å; F221-S226 VanDerWaalsContact N-OG 3.12Å; F221-S226 WeakPolarHBondContact O-CB 3.25Å
222D98.6Very high98.7Very high35 Ų3533 Ų3319%0.18717%0.171CC..SBendtrans-62.671.9-173.1-161.36.9000114.5E37 N260 F261 G262E37-D222 WeakPolarHBondContact OE1-CA 3.36Å; E37-D222 VanDerWaalsContact OE1-CB 3.23Å; E37-D222 WeakPolarHBondContact OE1-CB 3.29Å; E37-D222 PolarHBondContact OE1-N 2.64Å; D222-N260 VanDerWaalsContact OD2-CB 3.26Å; D222-N260 WeakPolarHBondContact OD2-CB 3.43Å; D222-F261 VanDerWaalsContact OD2-CA 3.3Å; D222-F261 WeakPolarHBondContact OD2-CA 3.11Å; D222-F261 WeakPolarHBondContact OD2-CB 3.34Å; D222-F261 PolarHBondContact OD2-N 2.85Å; D222-G262 WeakPolarHBondContact O-CA 3.25Å; D222-G262 VanDerWaalsContact OD1-CA 3.22Å; D222-G262 WeakPolarHBondContact OD1-CA 3.45Å; D222-G262 PolarHBondContact OD1-N 3.42Å; D222-G262 PolarHBondContact OD2-N 3.49Å
223S98.8Very high98.7Very high30 Ų3034.5 Ų34.521%0.2118%0.177CC..SBendtrans-162.1140.5-178.6-176.30000111.5F221 I225 S226 I227 L263F221-S223 PolarHBondContact O-N 3.32Å; S223-I225 PolarHBondContact O-N 3.28Å; S223-I225 VanDerWaalsContact O-N 3.13Å; S223-I225 PolarHBondContact OG-N 2.88Å; S223-S226 WeakPolarHBondContact O-CB 3.31Å; S223-S226 PolarHBondContact O-N 2.79Å; S223-I227 PolarHBondContact O-N 2.95Å; S223-L263 VanDerWaalsContact C-CD2 3.45Å
224W98.8Very high98.7Very high12 Ų1234.9 Ų34.95%0.04518%0.179CC..Hα-helixtrans-58.1-27.2172.3-178.6-127000113.5S226 I227 K228 L263 Q267 L342 E346W224-S226 VanDerWaalsContact C-N 3.32Å; W224-I227 HydrophobicContact CE3-CB 3.78Å; W224-I227 HydrophobicContact CE3-CG1 4.28Å; W224-I227 HydrophobicContact CE3-CG2 3.98Å; W224-I227 HydrophobicContact CH2-CG2 4.44Å; W224-I227 HydrophobicContact CZ3-CB 3.92Å; W224-I227 HydrophobicContact CZ3-CG2 3.57Å; W224-I227 PolarHBondContact O-N 2.98Å; W224-K228 HydrophobicContact CD2-CG 4.11Å; W224-K228 HydrophobicContact CH2-CG 4.39Å; W224-K228 HydrophobicContact CZ2-CD 4.17Å; W224-K228 HydrophobicContact CZ2-CG 3.75Å; W224-K228 WeakPolarHBondContact O-CG 3.28Å; W224-K228 PolarHBondContact O-N 3.35Å; W224-L263 HydrophobicContact CB-CD2 4.24Å; W224-L263 VanDerWaalsContact N-CD2 3.29Å; W224-Q267 HydrophobicContact CB-CG 4.27Å; W224-Q267 HydrophobicContact CD2-CB 4.28Å; W224-Q267 HydrophobicContact CD2-CG 3.67Å; W224-Q267 HydrophobicContact CE3-CB 3.75Å; W224-Q267 HydrophobicContact CE3-CG 3.65Å; W224-Q267 HydrophobicContact CG-CG 3.93Å; W224-Q267 HydrophobicContact CZ3-CB 4.22Å; W224-Q267 HydrophobicContact CZ3-CG 4.25Å; W224-L342 HydrophobicContact CH2-CD1 3.98Å; W224-L342 HydrophobicContact CZ2-CD1 4.27Å; W224-E346 VanDerWaalsContact CD1-OE1 3.27Å; W224-E346 PolarHBondContact NE1-OE1 3.33Å
225I98.7Very high98.7Very high111 Ų11135.1 Ų35.157%0.56918%0.181SC*.Hα-helixtrans-65.3-39.2175.7-65.4170.9000110.8S223 K228 S229S223-I225 PolarHBondContact O-N 3.28Å; S223-I225 VanDerWaalsContact O-N 3.13Å; S223-I225 PolarHBondContact OG-N 2.88Å; I225-K228 PolarHBondContact O-N 2.79Å; I225-S229 WeakPolarHBondContact O-CB 2.98Å; I225-S229 PolarHBondContact O-N 2.83Å
226S98.8Very high98.6Very high2 Ų238.8 Ų38.81%0.01421%0.207CC..Hα-helixtrans-64.8-47.3176.4-169.80000110.9V220 F221 S223 W224 K228 S229 I230V220-S226 WeakPolarHBondContact CA-OG 3.21Å; F221-S226 WeakPolarHBondContact CD1-OG 3.14Å; F221-S226 PolarHBondContact N-OG 2.87Å; F221-S226 VanDerWaalsContact N-OG 3.12Å; F221-S226 WeakPolarHBondContact O-CB 3.25Å; S223-S226 WeakPolarHBondContact O-CB 3.31Å; S223-S226 PolarHBondContact O-N 2.79Å; W224-S226 VanDerWaalsContact C-N 3.32Å; S226-K228 VanDerWaalsContact C-N 3.35Å; S226-K228 PolarHBondContact O-N 2.84Å; S226-S229 PolarHBondContact O-N 2.78Å; S226-S229 VanDerWaalsContact O-N 3.16Å; S226-S229 PolarHBondContact O-OG 2.78Å; S226-I230 WeakPolarHBondContact O-CG1 3.37Å; S226-I230 PolarHBondContact O-N 2.8Å
227I98.9Very high98.6Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-58.7-46.7177-53.8-54.2000111.2V220 S223 W224 S229 I230 L231 V257 L263 Q271 W275V220-I227 HydrophobicContact CG2-CD1 3.85Å; S223-I227 PolarHBondContact O-N 2.95Å; W224-I227 HydrophobicContact CE3-CB 3.78Å; W224-I227 HydrophobicContact CE3-CG1 4.28Å; W224-I227 HydrophobicContact CE3-CG2 3.98Å; W224-I227 HydrophobicContact CH2-CG2 4.44Å; W224-I227 HydrophobicContact CZ3-CB 3.92Å; W224-I227 HydrophobicContact CZ3-CG2 3.57Å; W224-I227 PolarHBondContact O-N 2.98Å; I227-S229 PolarHBondContact O-N 3.31Å; I227-I230 PolarHBondContact O-N 2.9Å; I227-L231 HydrophobicContact CG2-CD1 3.91Å; I227-L231 HydrophobicContact CG2-CG 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 3.39Å; I227-V257 HydrophobicContact CD1-CG2 4.27Å; I227-L263 HydrophobicContact CD1-CD1 4.45Å; I227-L263 HydrophobicContact CG1-CD1 4.11Å; I227-L263 HydrophobicContact CG1-CD2 4.08Å; I227-Q271 HydrophobicContact CD1-CG 4Å; I227-Q271 VanDerWaalsContact CD1-NE2 3.33Å; I227-W275 HydrophobicContact CD1-CH2 4Å; I227-W275 HydrophobicContact CG2-CH2 4.2Å; I227-W275 HydrophobicContact CG2-CZ3 3.96Å
228K98.7Very high98.6Very high53 Ų5341 Ų4123%0.2322%0.218CC..Hα-helixtrans-60.6-42.5176.6-76.1-173.5-64.9-175.50112.8W224 I225 S226 I230 L231 D232 E346W224-K228 HydrophobicContact CD2-CG 4.11Å; W224-K228 HydrophobicContact CH2-CG 4.39Å; W224-K228 HydrophobicContact CZ2-CD 4.17Å; W224-K228 HydrophobicContact CZ2-CG 3.75Å; W224-K228 WeakPolarHBondContact O-CG 3.28Å; W224-K228 PolarHBondContact O-N 3.35Å; I225-K228 PolarHBondContact O-N 2.79Å; S226-K228 VanDerWaalsContact C-N 3.35Å; S226-K228 PolarHBondContact O-N 2.84Å; K228-I230 VanDerWaalsContact C-N 3.34Å; K228-I230 PolarHBondContact O-N 3.25Å; K228-L231 PolarHBondContact O-N 2.89Å; K228-D232 WeakPolarHBondContact O-CB 3.34Å; K228-D232 PolarHBondContact O-N 2.81Å; K228-E346 IonicContact NZ-OE1 3.14Å; K228-E346 PolarHBondContact NZ-OE1 3.39Å; K228-E346 IonicContact NZ-OE2 3.86Å
229S98.8Very high98.6Very high44 Ų4443.2 Ų43.231%0.30823%0.23SC..Hα-helixtrans-65.1-40.3-178.274.50000111.5I225 S226 I227 W233I225-S229 WeakPolarHBondContact O-CB 2.98Å; I225-S229 PolarHBondContact O-N 2.83Å; S226-S229 PolarHBondContact O-N 2.78Å; S226-S229 VanDerWaalsContact O-N 3.16Å; S226-S229 PolarHBondContact O-OG 2.78Å; I227-S229 PolarHBondContact O-N 3.31Å; S229-W233 VanDerWaalsContact O-CB 3.28Å; S229-W233 WeakPolarHBondContact O-CB 3.13Å; S229-W233 PolarHBondContact O-N 3.43Å
230I98.9Very high98.4Very high2 Ų242.6 Ų42.61%0.0123%0.231CC..Hα-helixtrans-62.3-46.3174.5-67.9162.4000111F217 V220 S226 I227 K228 W233 T234 P253 W275F217-I230 HydrophobicContact CD1-CG1 4Å; F217-I230 HydrophobicContact CE1-CG1 4.48Å; V220-I230 HydrophobicContact CB-CD1 3.83Å; V220-I230 HydrophobicContact CG2-CD1 3.8Å; S226-I230 WeakPolarHBondContact O-CG1 3.37Å; S226-I230 PolarHBondContact O-N 2.8Å; I227-I230 PolarHBondContact O-N 2.9Å; K228-I230 VanDerWaalsContact C-N 3.34Å; K228-I230 PolarHBondContact O-N 3.25Å; I230-W233 PolarHBondContact O-N 3.43Å; I230-T234 VanDerWaalsContact O-CB 3.31Å; I230-T234 WeakPolarHBondContact O-CB 3.49Å; I230-T234 PolarHBondContact O-N 3.01Å; I230-T234 PolarHBondContact O-OG1 3.19Å; I230-P253 HydrophobicContact CG2-CB 3.7Å; I230-W275 HydrophobicContact CB-CH2 4.49Å; I230-W275 HydrophobicContact CD1-CH2 4.39Å; I230-W275 HydrophobicContact CD1-CZ2 4.49Å; I230-W275 HydrophobicContact CG2-CH2 4.01Å; I230-W275 HydrophobicContact CG2-CZ2 4.34Å
231L98.9Very high98.4Very high3 Ų342.3 Ų42.32%0.01623%0.229CC..Hα-helixtrans-65.3-44.5179.3-66.8170.7000112.3I227 K228 T234 A235 L274 W275 M278 W328 L342I227-L231 HydrophobicContact CG2-CD1 3.91Å; I227-L231 HydrophobicContact CG2-CG 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.45Å; I227-L231 PolarHBondContact O-N 3.39Å; K228-L231 PolarHBondContact O-N 2.89Å; L231-T234 PolarHBondContact O-N 3.37Å; L231-A235 WeakPolarHBondContact O-CB 3.3Å; L231-A235 PolarHBondContact O-N 2.81Å; L231-L274 HydrophobicContact CD1-CD1 3.37Å; L231-L274 HydrophobicContact CD2-CB 3.75Å; L231-L274 HydrophobicContact CD2-CD1 3.7Å; L231-L274 HydrophobicContact CD2-CG 4.25Å; L231-L274 HydrophobicContact CG-CD1 4.16Å; L231-W275 HydrophobicContact CD2-CZ3 4.18Å; L231-M278 HydrophobicContact CD2-CE 3.87Å; L231-M278 HydrophobicContact CD2-SD 4.11Å; L231-W328 HydrophobicContact CB-CZ2 4.41Å; L231-L342 HydrophobicContact CD1-CD2 4.34Å
232D98.8Very high98.4Very high72 Ų7238.3 Ų38.339%0.38521%0.214SC..Hα-helixtrans-66-39.6178.2-87.6-35.5000111.6K228 S236 R318 K321K228-D232 WeakPolarHBondContact O-CB 3.34Å; K228-D232 PolarHBondContact O-N 2.81Å; D232-S236 WeakPolarHBondContact O-CB 3.35Å; D232-S236 PolarHBondContact O-N 3.39Å; D232-S236 PolarHBondContact O-OG 3.03Å; D232-R318 IonicContact OD1-NH1 3.86Å; D232-R318 PolarHBondContact OD1-NH1 3.31Å; D232-K321 IonicContact OD1-NZ 3.88Å; D232-K321 PolarHBondContact OD1-NZ 3.24Å
233W98.8Very high98.4Very high31 Ų3141.5 Ų41.512%0.11724%0.236CC..Hα-helixtrans-65-46.1174.4-174.593.7000111.6W197 N216 F217 S229 I230 A235 S236 H237 I241W197-W233 AromaticContact CD1-CZ2 3.91Å; W197-W233 HydrophobicContact CD2-CZ2 4.03Å; W197-W233 AromaticContact CE2-CH2 3.76Å; W197-W233 AromaticContact CE2-CZ2 3.52Å; W197-W233 HydrophobicContact CG-CZ2 4.27Å; W197-W233 AromaticContact CZ2-CH2 3.88Å; W197-W233 HydrophobicContact CZ2-CH2 3.88Å; W197-W233 AromaticContact CZ2-CZ2 3.85Å; W197-W233 HydrophobicContact CZ2-CZ2 3.85Å; W197-W233 AromaticContact NE1-CH2 3.5Å; W197-W233 AromaticContact NE1-CZ2 3.47Å; N216-W233 HydrophobicContact CB-CH2 3.6Å; N216-W233 HydrophobicContact CB-CZ3 3.54Å; F217-W233 HydrophobicContact CB-CD2 3.86Å; F217-W233 HydrophobicContact CB-CE3 3.82Å; F217-W233 HydrophobicContact CB-CG 4.3Å; F217-W233 HydrophobicContact CB-CZ3 4.3Å; F217-W233 HydrophobicContact CD1-CB 3.94Å; F217-W233 HydrophobicContact CD1-CG 4.08Å; F217-W233 HydrophobicContact CD2-CB 4.08Å; F217-W233 AromaticContact CD2-CD1 3.26Å; F217-W233 AromaticContact CD2-CD2 3.6Å; F217-W233 HydrophobicContact CD2-CD2 3.6Å; F217-W233 AromaticContact CD2-CE2 3.69Å; F217-W233 HydrophobicContact CD2-CE3 4.44Å; F217-W233 AromaticContact CD2-CG 3.36Å; F217-W233 HydrophobicContact CD2-CG 3.36Å; F217-W233 AromaticContact CD2-NE1 3.42Å; F217-W233 HydrophobicContact CE1-CB 3.91Å; F217-W233 HydrophobicContact CE1-CG 4.25Å; F217-W233 HydrophobicContact CE2-CB 4.06Å; F217-W233 AromaticContact CE2-CD1 3.19Å; F217-W233 HydrophobicContact CE2-CD2 4.3Å; F217-W233 AromaticContact CE2-CG 3.58Å; F217-W233 HydrophobicContact CE2-CG 3.58Å; F217-W233 AromaticContact CE2-NE1 3.7Å; F217-W233 HydrophobicContact CG-CB 4.02Å; F217-W233 AromaticContact CG-CD2 3.73Å; F217-W233 HydrophobicContact CG-CD2 3.73Å; F217-W233 HydrophobicContact CG-CE3 4.16Å; F217-W233 AromaticContact CG-CG 3.64Å; F217-W233 HydrophobicContact CG-CG 3.64Å; F217-W233 HydrophobicContact CZ-CB 3.96Å; F217-W233 AromaticContact CZ-CD1 3.9Å; F217-W233 HydrophobicContact CZ-CG 4.02Å; S229-W233 VanDerWaalsContact O-CB 3.28Å; S229-W233 WeakPolarHBondContact O-CB 3.13Å; S229-W233 PolarHBondContact O-N 3.43Å; I230-W233 PolarHBondContact O-N 3.43Å; W233-A235 VanDerWaalsContact C-N 3.31Å; W233-A235 PolarHBondContact O-N 3.01Å; W233-S236 PolarHBondContact O-N 2.87Å; W233-S236 PolarHBondContact O-OG 2.92Å; W233-H237 AromaticContact CD1-CE1 3.59Å; W233-H237 AromaticContact CD1-ND1 3.78Å; W233-H237 AromaticContact CD2-ND1 3.7Å; W233-H237 AromaticContact CE2-CE1 3.66Å; W233-H237 AromaticContact CE2-CG 3.96Å; W233-H237 AromaticContact CE2-ND1 3.48Å; W233-H237 AromaticContact CG-ND1 3.88Å; W233-H237 HydrophobicContact CH2-CB 4.24Å; W233-H237 HydrophobicContact CZ2-CB 4.41Å; W233-H237 AromaticContact CZ2-CG 3.92Å; W233-H237 AromaticContact CZ2-ND1 3.92Å; W233-H237 HydrophobicContact CZ3-CB 4.43Å; W233-H237 AromaticContact NE1-CE1 3.28Å; W233-H237 PolarHBondContact NE1-CE1 2.75Å; W233-H237 VanDerWaalsContact NE1-CE1 3.28Å; W233-H237 AromaticContact NE1-ND1 3.56Å; W233-H237 AromaticContact NE1-NE2 3.93Å; W233-H237 PolarHBondContact O-N 3Å; W233-H237 VanDerWaalsContact O-N 3.14Å; W233-H237 PolarHBondContact O-ND1 2.93Å; W233-I241 HydrophobicContact CH2-CG2 4.45Å; W233-I241 HydrophobicContact CZ3-CD1 3.9Å
234T98.9Very high98.3Very high7 Ų741 Ų414%0.04323%0.233CC..Hα-helixtrans-58.6-46.6177.7-60.20000110.5I230 L231 S236 H237 Q238 I241 M278 W328I230-T234 VanDerWaalsContact O-CB 3.31Å; I230-T234 WeakPolarHBondContact O-CB 3.49Å; I230-T234 PolarHBondContact O-N 3.01Å; I230-T234 PolarHBondContact O-OG1 3.19Å; L231-T234 PolarHBondContact O-N 3.37Å; T234-S236 VanDerWaalsContact C-N 3.34Å; T234-S236 PolarHBondContact O-N 3.06Å; T234-H237 CarbonylContact O-C 3.58Å; T234-H237 PolarHBondContact O-N 2.77Å; T234-Q238 WeakPolarHBondContact O-CA 3.31Å; T234-Q238 WeakPolarHBondContact O-CB 3.21Å; T234-Q238 PolarHBondContact O-N 3.38Å; T234-I241 HydrophobicContact CG2-CD1 3.85Å; T234-M278 HydrophobicContact CG2-SD 3.73Å; T234-W328 HydrophobicContact CG2-CH2 4.44Å; T234-W328 HydrophobicContact CG2-CZ3 4.43Å
235A98.6Very high98.3Very high6 Ų641 Ų415%0.0524%0.236CC..Hα-helixtrans-68.5-31-179.400000113.4L231 W233 H237 Q238 R318 W328L231-A235 WeakPolarHBondContact O-CB 3.3Å; L231-A235 PolarHBondContact O-N 2.81Å; W233-A235 VanDerWaalsContact C-N 3.31Å; W233-A235 PolarHBondContact O-N 3.01Å; A235-H237 VanDerWaalsContact C-N 3.32Å; A235-Q238 WeakPolarHBondContact O-CG 3.26Å; A235-R318 HydrophobicContact CB-CB 4.04Å; A235-W328 HydrophobicContact CB-CH2 3.67Å; A235-W328 HydrophobicContact CB-CZ2 3.88Å
236S98.5Very high98.2Very high80 Ų8036 Ų3656%0.55921%0.212SC*.Hα-helixtrans-76.6-19.8177.564.70000113.3D232 W233 T234D232-S236 WeakPolarHBondContact O-CB 3.35Å; D232-S236 PolarHBondContact O-N 3.39Å; D232-S236 PolarHBondContact O-OG 3.03Å; W233-S236 PolarHBondContact O-N 2.87Å; W233-S236 PolarHBondContact O-OG 2.92Å; T234-S236 VanDerWaalsContact C-N 3.34Å; T234-S236 PolarHBondContact O-N 3.06Å
237H98.4Very high98.2Very high53 Ų5338.6 Ų38.625%0.24523%0.228CC..SBendtrans-111.99.4178.3-59.780.9000113.4W197 W233 T234 A235 D239 S240 I241W197-H237 AromaticContact CH2-CD2 3.67Å; W197-H237 AromaticContact CZ3-CD2 3.95Å; W233-H237 AromaticContact CD1-CE1 3.59Å; W233-H237 AromaticContact CD1-ND1 3.78Å; W233-H237 AromaticContact CD2-ND1 3.7Å; W233-H237 AromaticContact CE2-CE1 3.66Å; W233-H237 AromaticContact CE2-CG 3.96Å; W233-H237 AromaticContact CE2-ND1 3.48Å; W233-H237 AromaticContact CG-ND1 3.88Å; W233-H237 HydrophobicContact CH2-CB 4.24Å; W233-H237 HydrophobicContact CZ2-CB 4.41Å; W233-H237 AromaticContact CZ2-CG 3.92Å; W233-H237 AromaticContact CZ2-ND1 3.92Å; W233-H237 HydrophobicContact CZ3-CB 4.43Å; W233-H237 AromaticContact NE1-CE1 3.28Å; W233-H237 PolarHBondContact NE1-CE1 2.75Å; W233-H237 VanDerWaalsContact NE1-CE1 3.28Å; W233-H237 AromaticContact NE1-ND1 3.56Å; W233-H237 AromaticContact NE1-NE2 3.93Å; W233-H237 PolarHBondContact O-N 3Å; W233-H237 VanDerWaalsContact O-N 3.14Å; W233-H237 PolarHBondContact O-ND1 2.93Å; T234-H237 CarbonylContact O-C 3.58Å; T234-H237 PolarHBondContact O-N 2.77Å; A235-H237 VanDerWaalsContact C-N 3.32Å; H237-D239 VanDerWaalsContact C-N 3.26Å; H237-D239 PolarHBondContact O-N 3.11Å; H237-D239 VanDerWaalsContact O-N 3.16Å; H237-S240 PolarHBondContact O-N 2.99Å; H237-I241 HydrophobicContact CB-CD1 4.49Å; H237-I241 HydrophobicContact CB-CG2 4.42Å; H237-I241 PolarHBondContact O-N 2.82Å; H237-I241 VanDerWaalsContact O-N 3.14Å
238Q98.4Very high98.2Very high36 Ų3638.9 Ų38.917%0.16823%0.231CC..Hα-helixtrans-59.3-32.8-169.970.3-178.26.300113.9T234 A235 S240 I241 V242 R318T234-Q238 WeakPolarHBondContact O-CA 3.31Å; T234-Q238 WeakPolarHBondContact O-CB 3.21Å; T234-Q238 PolarHBondContact O-N 3.38Å; A235-Q238 WeakPolarHBondContact O-CG 3.26Å; Q238-S240 PolarHBondContact O-N 3.03Å; Q238-I241 PolarHBondContact O-N 3.49Å; Q238-V242 HydrophobicContact CB-CG2 3.82Å; Q238-V242 WeakPolarHBondContact O-CB 3.16Å; Q238-V242 VanDerWaalsContact O-CG2 3.25Å; Q238-V242 WeakPolarHBondContact O-CG2 3.33Å; Q238-V242 PolarHBondContact O-N 2.81Å; Q238-R318 PolarHBondContact NE2-O 3.22Å; Q238-R318 VanDerWaalsContact NE2-O 3.15Å; Q238-R318 PolarHBondContact OE1-O 3.38Å
239D97Very high98.2Very high143 Ų14336.3 Ų36.377%0.76522%0.22SC*.Hα-helixtrans-64.5-25.6179.5-66.3-17.3000112.4H237H237-D239 VanDerWaalsContact C-N 3.26Å; H237-D239 PolarHBondContact O-N 3.11Å; H237-D239 VanDerWaalsContact O-N 3.16Å
240S94.7Very high98.2Very high58 Ų5834.2 Ų34.241%0.40621%0.205SC..Hα-helixtrans-93-43.3178-58.30000112.4H237 Q238 S244H237-S240 PolarHBondContact O-N 2.99Å; Q238-S240 PolarHBondContact O-N 3.03Å; S240-S244 PolarHBondContact O-OG 3.04Å; S240-S244 VanDerWaalsContact O-OG 3.12Å
241I97.9Very high98.2Very high1 Ų134.4 Ų34.41%0.00521%0.206CC..Hα-helixtrans-88.6-37.3-169.669.1-177.6000112.8W197 Y204 W233 T234 H237 Q238 S244 N251W197-I241 HydrophobicContact CZ2-CG2 4.48Å; Y204-I241 HydrophobicContact CE1-CG2 4.11Å; Y204-I241 HydrophobicContact CE2-CG2 3.9Å; Y204-I241 WeakPolarHBondContact OH-CG2 3.46Å; W233-I241 HydrophobicContact CH2-CG2 4.45Å; W233-I241 HydrophobicContact CZ3-CD1 3.9Å; T234-I241 HydrophobicContact CG2-CD1 3.85Å; H237-I241 HydrophobicContact CB-CD1 4.49Å; H237-I241 HydrophobicContact CB-CG2 4.42Å; H237-I241 PolarHBondContact O-N 2.82Å; H237-I241 VanDerWaalsContact O-N 3.14Å; Q238-I241 PolarHBondContact O-N 3.49Å; I241-S244 WeakPolarHBondContact O-CB 3.42Å; I241-S244 PolarHBondContact O-N 3.4Å; I241-N251 PolarHBondContact O-ND2 2.87Å
242V98.6Very high98.2Very high25 Ų2534.5 Ų34.515%0.15221%0.207CC..G310 helixtrans-60.4-43.9-176.21740000112.4Q238 S244 A245 Q315Q238-V242 HydrophobicContact CB-CG2 3.82Å; Q238-V242 WeakPolarHBondContact O-CB 3.16Å; Q238-V242 VanDerWaalsContact O-CG2 3.25Å; Q238-V242 WeakPolarHBondContact O-CG2 3.33Å; Q238-V242 PolarHBondContact O-N 2.81Å; V242-S244 PolarHBondContact O-N 3.41Å; V242-A245 PolarHBondContact O-N 3.44Å; V242-Q315 HydrophobicContact CB-CG 4.48Å; V242-Q315 HydrophobicContact CG1-CB 4.26Å; V242-Q315 HydrophobicContact CG1-CG 4.17Å; V242-Q315 HydrophobicContact CG2-CG 4.12Å
243P97.9Very high98.2Very high102 Ų10231.7 Ų31.766%0.66219%0.192SC*.G310 helixtrans-65.5-18.3177.8-21.834.8000114.2
244S97.1Very high98.2Very high20 Ų2030.5 Ų30.514%0.1419%0.188CC..G310 helixtrans-86.1-13.3-176.3-55.10000112.9Y204 R208 W214 S240 I241 V242Y204-S244 VanDerWaalsContact CB-OG 3.23Å; Y204-S244 WeakPolarHBondContact CB-OG 3.34Å; R208-S244 WeakPolarHBondContact CD-O 3.34Å; R208-S244 PolarHBondContact NH1-O 3.38Å; W214-S244 WeakPolarHBondContact CH2-O 3.5Å; W214-S244 WeakPolarHBondContact CZ2-O 3.34Å; S240-S244 PolarHBondContact O-OG 3.04Å; S240-S244 VanDerWaalsContact O-OG 3.12Å; I241-S244 WeakPolarHBondContact O-CB 3.42Å; I241-S244 PolarHBondContact O-N 3.4Å; V242-S244 PolarHBondContact O-N 3.41Å
245A98.3Very high98.2Very high13 Ų1330.2 Ų30.211%0.10719%0.186CC..  trans-90.6143.7177.500000112.7V242 G249 Q315V242-A245 PolarHBondContact O-N 3.44Å; A245-G249 CarbonylContact C-O 3.52Å; A245-G249 WeakPolarHBondContact CA-O 3.41Å; A245-Q315 HydrophobicContact CB-CB 3.81Å; A245-Q315 VanDerWaalsContact CB-OE1 3.24Å
246G98.2Very high98.2Very high6 Ų629.9 Ų29.96%0.06218%0.184CC..BIsolated β-bridgetrans173175.4-178.500000111.9G248 G249 W250 G313G246-G248 PolarHBondContact O-N 3.37Å; G246-G249 PolarHBondContact N-O 2.98Å; G246-G249 CarbonylContact O-C 3.52Å; G246-G249 PolarHBondContact O-N 3.42Å; G246-W250 WeakPolarHBondContact O-CZ2 3.41Å; G246-G313 WeakPolarHBondContact CA-O 3.41Å
247P98.6Very high98.2Very high56 Ų5626.1 Ų26.136%0.36416%0.158SC..THydrogen-bonded Turntrans-46.2129.6173.7-28.437000111.9L27 R208L27-P247 HydrophobicContact CD2-CB 4.44Å; R208-P247 PolarHBondContact NH2-O 2.77Å
248G97.5Very high98.2Very high5 Ų523.6 Ų23.65%0.05215%0.146CC..THydrogen-bonded Turntrans85.8-11.5-177.100000116A26 N212 G246A26-G248 WeakPolarHBondContact O-CA 3.19Å; A26-G248 PolarHBondContact O-N 3.16Å; N212-G248 VanDerWaalsContact CA-O 3.31Å; N212-G248 WeakPolarHBondContact CA-O 3.2Å; N212-G248 PolarHBondContact ND2-O 3.15Å; G246-G248 PolarHBondContact O-N 3.37Å
249G98.5Very high98.2Very high0 Ų022.7 Ų22.70%015%0.146CC..BIsolated β-bridgetrans-157114.5-175.100000113.3R208 N212 W214 A245 G246R208-G249 PolarHBondContact NH1-O 3.36Å; N212-G249 CarbonylContact O-C 3.49Å; N212-G249 WeakPolarHBondContact O-CA 3.43Å; W214-G249 VanDerWaalsContact CH2-C 3.45Å; A245-G249 CarbonylContact C-O 3.52Å; A245-G249 WeakPolarHBondContact CA-O 3.41Å; G246-G249 PolarHBondContact N-O 2.98Å; G246-G249 CarbonylContact O-C 3.52Å; G246-G249 PolarHBondContact O-N 3.42Å
250W98.9Very high98.3Very high0 Ų016.9 Ų16.90%012%0.115CC..EExtended strand (participates in β ladder)trans-125.8148.3-174.2-48.391.3000113.8A26 K28 P29 N212 H213 W214 G246 A279 G313A26-W250 PolarHBondContact O-NE1 2.99Å; K28-W250 VanDerWaalsContact CA-CZ2 3.49Å; K28-W250 PolarHBondContact O-NE1 3.47Å; P29-W250 HydrophobicContact CB-CD2 4.34Å; P29-W250 HydrophobicContact CG-CD2 3.87Å; P29-W250 HydrophobicContact CG-CE3 3.8Å; P29-W250 HydrophobicContact CG-CH2 4.1Å; P29-W250 HydrophobicContact CG-CZ2 4.16Å; P29-W250 HydrophobicContact CG-CZ3 3.91Å; N212-W250 PolarHBondContact O-N 3.08Å; H213-W250 CarbonylContact C-O 3.52Å; H213-W250 WeakPolarHBondContact CA-O 3.41Å; H213-W250 HydrophobicContact CB-CB 3.97Å; H213-W250 VanDerWaalsContact CB-O 3.25Å; H213-W250 WeakPolarHBondContact CB-O 3.07Å; W214-W250 PolarHBondContact N-O 2.81Å; G246-W250 WeakPolarHBondContact O-CZ2 3.41Å; W250-A279 HydrophobicContact CE3-CB 3.9Å; W250-A279 HydrophobicContact CZ3-CB 3.79Å; W250-G313 VanDerWaalsContact CZ3-O 3.28Å; W250-G313 WeakPolarHBondContact CZ3-O 3.2Å
251N98.9Very high98.5Very high5 Ų521.7 Ų21.73%0.02713%0.129CC..EExtended strand (participates in β ladder)trans-72.7132.5164.7-68.9-58.6000109.5W214 N216 I241 P253 P281 Q315W214-N251 PolarHBondContact NE1-OD1 2.02Å; N216-N251 WeakPolarHBondContact ND2-CB 3.47Å; N216-N251 PolarHBondContact ND2-OD1 3.02Å; I241-N251 PolarHBondContact O-ND2 2.87Å; N251-P253 WeakPolarHBondContact O-CD 3.25Å; N251-P281 WeakPolarHBondContact O-CD 3.45Å; N251-Q315 PolarHBondContact ND2-OE1 2.87Å
252D98.9Very high98.5Very high6 Ų623.2 Ų23.23%0.03215%0.145CC..EExtended strand (participates in β ladder)trans-108.5105.3178.6-170-9.9000109.9H213 W214 R215 N216 D254 P281H213-D252 IonicContact ND1-OD2 2.73Å; W214-D252 VanDerWaalsContact O-CB 3.3Å; W214-D252 WeakPolarHBondContact O-CB 3.49Å; W214-D252 PolarHBondContact O-N 3.17Å; R215-D252 WeakPolarHBondContact CA-O 3.31Å; R215-D252 VanDerWaalsContact CD-CG 3.47Å; R215-D252 HydrophobicContact CG-CB 4.22Å; N216-D252 PolarHBondContact N-O 2.84Å; D252-D254 PolarHBondContact O-N 3.46Å; D252-D254 WeakPolarHBondContact OD1-CA 3.33Å; D252-D254 PolarHBondContact OD1-N 3.44Å; D252-P281 HydrophobicContact CB-CG 4.28Å
253P98.9Very high98.5Very high13 Ų1322.6 Ų22.68%0.08414%0.14CC..  trans-84.618.5173.636.6-34.6000112.8I230 N251 W275 M278 A280I230-P253 HydrophobicContact CG2-CB 3.7Å; N251-P253 WeakPolarHBondContact O-CD 3.25Å; P253-W275 HydrophobicContact CB-CZ2 4.22Å; P253-W275 HydrophobicContact CG-CD2 4.35Å; P253-W275 HydrophobicContact CG-CG 4.44Å; P253-W275 HydrophobicContact CG-CZ2 4.29Å; P253-M278 HydrophobicContact CB-CE 4.15Å; P253-M278 HydrophobicContact CG-CE 3.96Å; P253-A280 VanDerWaalsContact CD-CB 3.49Å; P253-A280 HydrophobicContact CG-CB 3.47Å; P253-A280 VanDerWaalsContact CG-CB 3.47Å
254D98.9Very high98.6Very high5 Ų520.1 Ų20.13%0.02713%0.126CC..  trans75.3179.2-179.1-151.81.3000114.7R215 D219 V220 D252 W275R215-D254 IonicContact CZ-OD1 2.92Å; R215-D254 IonicContact CZ-OD2 2.79Å; R215-D254 IonicContact NE-OD1 3.17Å; R215-D254 IonicContact NE-OD2 2.7Å; R215-D254 IonicContact NH1-OD1 3.28Å; R215-D254 IonicContact NH1-OD2 3.29Å; R215-D254 IonicContact NH2-OD2 3.4Å; R215-D254 PolarHBondContact NH2-OD2 2.75Å; R215-D254 VanDerWaalsContact NH2-OD2 3.17Å; D219-D254 VanDerWaalsContact CA-OD2 3.31Å; D219-D254 WeakPolarHBondContact CA-OD2 3.33Å; V220-D254 HydrophobicContact CB-CB 4.03Å; V220-D254 HydrophobicContact CG1-CB 3.96Å; V220-D254 WeakPolarHBondContact CG1-OD2 3.2Å; V220-D254 PolarHBondContact N-OD2 3.41Å; D252-D254 PolarHBondContact O-N 3.46Å; D252-D254 WeakPolarHBondContact OD1-CA 3.33Å; D252-D254 PolarHBondContact OD1-N 3.44Å; D254-W275 PolarHBondContact O-NE1 3Å
255M98.9Very high98.6Very high1 Ų122.8 Ų22.81%0.00514%0.136CC..  trans-59.8155-168.2-64.4162.6-79.400115.2L34 W36 E37 V220 Q271 L283 S285L34-M255 HydrophobicContact CB-CG 4.37Å; L34-M255 HydrophobicContact CB-SD 4.17Å; L34-M255 HydrophobicContact CD2-CG 3.89Å; L34-M255 HydrophobicContact CD2-SD 3.67Å; L34-M255 HydrophobicContact CG-SD 3.95Å; W36-M255 HydrophobicContact CB-CE 3.96Å; W36-M255 HydrophobicContact CB-SD 4Å; W36-M255 HydrophobicContact CG-CE 4.34Å; E37-M255 HydrophobicContact CB-CE 3.75Å; E37-M255 HydrophobicContact CB-SD 3.96Å; V220-M255 HydrophobicContact CG1-CB 4.01Å; V220-M255 HydrophobicContact CG1-CE 4.16Å; M255-Q271 PolarHBondContact O-NE2 2.92Å; M255-L283 CarbonylContact C-O 3.48Å; M255-L283 WeakPolarHBondContact CA-O 3.47Å; M255-L283 WeakPolarHBondContact CB-O 3.24Å; M255-L283 HydrophobicContact CG-CB 4.46Å; M255-S285 VanDerWaalsContact SD-CB 3.52Å
256L98.9Very high98.6Very high0 Ų024 Ų240%014%0.14CC..BIsolated β-bridgetrans-78.1122.4163.3-62.2172.9000109.4I258 Q271 M272 W275 L282 L283 S285 L299L256-I258 HydrophobicContact CD2-CD1 4.29Å; L256-Q271 HydrophobicContact CD2-CG 3.98Å; L256-M272 HydrophobicContact CD1-SD 4.11Å; L256-W275 HydrophobicContact CD2-CB 4Å; L256-W275 HydrophobicContact CD2-CD2 4.19Å; L256-W275 HydrophobicContact CD2-CG 3.65Å; L256-L282 HydrophobicContact CD1-CB 3.93Å; L256-L282 HydrophobicContact CD1-CD2 4.15Å; L256-L283 PolarHBondContact N-O 3.45Å; L256-S285 PolarHBondContact O-N 3.32Å; L256-L299 HydrophobicContact CB-CD2 4.39Å; L256-L299 HydrophobicContact CD1-CD2 3.69Å
257V98.9Very high98.6Very high1 Ų125 Ų251%0.00614%0.144CC..  trans-101.115.7178.4-56.40000112E37 V220 I227 G259 N260 L263 Q271E37-V257 HydrophobicContact CB-CG1 4.38Å; E37-V257 VanDerWaalsContact CD-CG1 3.46Å; E37-V257 HydrophobicContact CG-CG1 3.61Å; V220-V257 HydrophobicContact CG1-CG1 3.88Å; V220-V257 HydrophobicContact CG2-CG1 3.93Å; I227-V257 HydrophobicContact CD1-CG2 4.27Å; V257-G259 PolarHBondContact O-N 2.87Å; V257-N260 WeakPolarHBondContact O-CB 3.49Å; V257-N260 PolarHBondContact O-N 3.47Å; V257-N260 PolarHBondContact O-ND2 2.73Å; V257-L263 HydrophobicContact CG2-CD1 3.57Å; V257-L263 HydrophobicContact CG2-CG 4.04Å; V257-Q271 VanDerWaalsContact N-OE1 3.09Å
258I98.9Very high98.7Very high0 Ų023 Ų230%013%0.129CC..THydrogen-bonded Turntrans-65131.6178.5-64.2166000109.7L256 Q268 Q271 M272 N286 L298 L299L256-I258 HydrophobicContact CD2-CD1 4.29Å; I258-Q268 WeakPolarHBondContact CD1-O 3.18Å; I258-Q268 HydrophobicContact CG1-CB 4.05Å; I258-Q268 HydrophobicContact CG1-CG 4.3Å; I258-Q268 HydrophobicContact CG2-CB 4.19Å; I258-Q268 HydrophobicContact CG2-CG 4.3Å; I258-Q271 HydrophobicContact CD1-CB 4.41Å; I258-Q271 HydrophobicContact CG1-CB 4.48Å; I258-M272 HydrophobicContact CD1-CB 3.68Å; I258-M272 HydrophobicContact CD1-CG 4.39Å; I258-M272 HydrophobicContact CD1-SD 4.28Å; I258-N286 PolarHBondContact O-ND2 2.91Å; I258-L298 HydrophobicContact CD1-CD2 4.18Å; I258-L298 HydrophobicContact CG2-CD2 4.13Å; I258-L299 HydrophobicContact CB-CD1 4.04Å; I258-L299 HydrophobicContact CB-CD2 4.01Å; I258-L299 HydrophobicContact CB-CG 4.05Å; I258-L299 HydrophobicContact CD1-CD2 3.83Å; I258-L299 HydrophobicContact CD1-CG 4.38Å; I258-L299 HydrophobicContact CG1-CD2 4.49Å; I258-L299 HydrophobicContact CG2-CD1 3.75Å; I258-L299 HydrophobicContact CG2-CD2 4.19Å; I258-L299 HydrophobicContact CG2-CG 3.7Å
259G98.5Very high98.7Very high17 Ų1723.3 Ų23.318%0.17513%0.129CC..THydrogen-bonded Turntrans93.7-0.6-177.600000114.7V257V257-G259 PolarHBondContact O-N 2.87Å
260N98.6Very high98.8Very high20 Ų2023.3 Ų23.311%0.10713%0.129CC..SBendtrans-87.8-139.9171.3-59.3-25.9000110.6E37 D222 V257 S285 N286E37-N260 PolarHBondContact OE2-ND2 2.87Å; D222-N260 VanDerWaalsContact OD2-CB 3.26Å; D222-N260 WeakPolarHBondContact OD2-CB 3.43Å; V257-N260 WeakPolarHBondContact O-CB 3.49Å; V257-N260 PolarHBondContact O-N 3.47Å; V257-N260 PolarHBondContact O-ND2 2.73Å; N260-S285 PolarHBondContact ND2-O 3.5Å; N260-N286 VanDerWaalsContact OD1-CA 3.31Å; N260-N286 WeakPolarHBondContact OD1-CA 3.43Å; N260-N286 VanDerWaalsContact OD1-CB 3.25Å; N260-N286 WeakPolarHBondContact OD1-CB 3.42Å
261F98.4Very high98.8Very high160 Ų16023.3 Ų23.370%0.70213%0.129SC*.SBendtrans-117-30.1-161.3-48.8-77.2000114.4D222D222-F261 VanDerWaalsContact OD2-CA 3.3Å; D222-F261 WeakPolarHBondContact OD2-CA 3.11Å; D222-F261 WeakPolarHBondContact OD2-CB 3.34Å; D222-F261 PolarHBondContact OD2-N 2.85Å
262G98.4Very high98.8Very high33 Ų3323 Ų2334%0.3413%0.128SC..SBendtrans-97.6-8.3-16400000115.6D222D222-G262 WeakPolarHBondContact O-CA 3.25Å; D222-G262 VanDerWaalsContact OD1-CA 3.22Å; D222-G262 WeakPolarHBondContact OD1-CA 3.45Å; D222-G262 PolarHBondContact OD1-N 3.42Å; D222-G262 PolarHBondContact OD2-N 3.49Å
263L98.8Very high98.8Very high11 Ų1122.8 Ų22.86%0.05813%0.127CC..  trans-106.6128.5177.1-59.4-167.1000112.3S223 W224 I227 V257 Q267 Q268S223-L263 VanDerWaalsContact C-CD2 3.45Å; W224-L263 HydrophobicContact CB-CD2 4.24Å; W224-L263 VanDerWaalsContact N-CD2 3.29Å; I227-L263 HydrophobicContact CD1-CD1 4.45Å; I227-L263 HydrophobicContact CG1-CD1 4.11Å; I227-L263 HydrophobicContact CG1-CD2 4.08Å; V257-L263 HydrophobicContact CG2-CD1 3.57Å; V257-L263 HydrophobicContact CG2-CG 4.04Å; L263-Q267 HydrophobicContact CB-CB 4.08Å; L263-Q267 HydrophobicContact CD2-CB 4.27Å; L263-Q268 HydrophobicContact CB-CG 3.59Å; L263-Q268 HydrophobicContact CD1-CG 4.29Å; L263-Q268 PolarHBondContact O-NE2 3.18Å
264S98.6Very high98.8Very high51 Ų5122.1 Ų22.136%0.35712%0.123SC..  trans-63.4165.5165.781.80000111D266 Q267 Q268S264-D266 VanDerWaalsContact C-N 3.33Å; S264-D266 PolarHBondContact O-N 2.99Å; S264-Q267 PolarHBondContact O-N 2.98Å; S264-Q267 VanDerWaalsContact O-N 3.11Å; S264-Q267 VanDerWaalsContact OG-CG 3.31Å; S264-Q267 WeakPolarHBondContact OG-CG 3.44Å; S264-Q267 PolarHBondContact OG-N 3.24Å; S264-Q267 PolarHBondContact OG-OE1 3Å; S264-Q268 WeakPolarHBondContact O-CG 3.07Å; S264-Q268 PolarHBondContact O-N 3.43Å
265H98Very high98.8Very high76 Ų7621.9 Ų21.935%0.35212%0.121SC..Hα-helixtrans-58-43.1177.5-68.4-52.2000113.4Q267 Q268 E269 R294H265-Q267 VanDerWaalsContact C-N 3.27Å; H265-Q267 PolarHBondContact O-N 3.44Å; H265-Q268 PolarHBondContact O-N 2.94Å; H265-E269 WeakPolarHBondContact O-CG 3.21Å; H265-E269 PolarHBondContact O-N 2.84Å; H265-R294 VanDerWaalsContact CB-CZ 3.41Å; H265-R294 PolarHBondContact CD2-NH1 2.84Å; H265-R294 VanDerWaalsContact CG-NH1 3.28Å
266D98.6Very high98.8Very high37 Ų3721.9 Ų21.920%0.19812%0.121CC..Hα-helixtrans-63.8-34.6177.5-67.1-69.2000111.7S264 S270 N394S264-D266 VanDerWaalsContact C-N 3.33Å; S264-D266 PolarHBondContact O-N 2.99Å; D266-S270 WeakPolarHBondContact O-CB 3.46Å; D266-S270 PolarHBondContact O-N 3.11Å; D266-S270 PolarHBondContact O-OG 2.87Å; D266-S270 VanDerWaalsContact O-OG 3.06Å; D266-N394 VanDerWaalsContact OD1-CB 3.27Å; D266-N394 WeakPolarHBondContact OD1-CB 3.29Å; D266-N394 PolarHBondContact OD1-ND2 3.29Å
267Q98.9Very high98.8Very high29 Ų2921.9 Ų21.914%0.13612%0.121CC..Hα-helixtrans-73.5-37.2177.5-68164.1-6.800112.2W224 L263 S264 H265 S270 Q271 S396W224-Q267 HydrophobicContact CB-CG 4.27Å; W224-Q267 HydrophobicContact CD2-CB 4.28Å; W224-Q267 HydrophobicContact CD2-CG 3.67Å; W224-Q267 HydrophobicContact CE3-CB 3.75Å; W224-Q267 HydrophobicContact CE3-CG 3.65Å; W224-Q267 HydrophobicContact CG-CG 3.93Å; W224-Q267 HydrophobicContact CZ3-CB 4.22Å; W224-Q267 HydrophobicContact CZ3-CG 4.25Å; L263-Q267 HydrophobicContact CB-CB 4.08Å; L263-Q267 HydrophobicContact CD2-CB 4.27Å; S264-Q267 PolarHBondContact O-N 2.98Å; S264-Q267 VanDerWaalsContact O-N 3.11Å; S264-Q267 VanDerWaalsContact OG-CG 3.31Å; S264-Q267 WeakPolarHBondContact OG-CG 3.44Å; S264-Q267 PolarHBondContact OG-N 3.24Å; S264-Q267 PolarHBondContact OG-OE1 3Å; H265-Q267 VanDerWaalsContact C-N 3.27Å; H265-Q267 PolarHBondContact O-N 3.44Å; Q267-S270 WeakPolarHBondContact O-CB 3.26Å; Q267-S270 PolarHBondContact O-N 3.06Å; Q267-Q271 PolarHBondContact O-N 2.94Å; Q267-S396 WeakPolarHBondContact CG-OG 3.32Å; Q267-S396 PolarHBondContact NE2-OG 3.29Å
268Q98.9Very high98.8Very high12 Ų1222 Ų226%0.05612%0.122CC..Hα-helixtrans-62.3-45.7172.2-69.3175.550.300110.6I258 L263 S264 H265 S270 Q271 M272 S295 L298I258-Q268 WeakPolarHBondContact CD1-O 3.18Å; I258-Q268 HydrophobicContact CG1-CB 4.05Å; I258-Q268 HydrophobicContact CG1-CG 4.3Å; I258-Q268 HydrophobicContact CG2-CB 4.19Å; I258-Q268 HydrophobicContact CG2-CG 4.3Å; L263-Q268 HydrophobicContact CB-CG 3.59Å; L263-Q268 HydrophobicContact CD1-CG 4.29Å; L263-Q268 PolarHBondContact O-NE2 3.18Å; S264-Q268 WeakPolarHBondContact O-CG 3.07Å; S264-Q268 PolarHBondContact O-N 3.43Å; H265-Q268 PolarHBondContact O-N 2.94Å; Q268-S270 VanDerWaalsContact C-N 3.31Å; Q268-S270 PolarHBondContact O-N 3.22Å; Q268-Q271 PolarHBondContact O-N 3.18Å; Q268-M272 PolarHBondContact O-N 3.42Å; Q268-S295 PolarHBondContact OE1-OG 3.38Å; Q268-L298 HydrophobicContact CB-CD2 3.87Å
269E98.9Very high98.8Very high12 Ų1222 Ų226%0.05612%0.122CC..Hα-helixtrans-59-42.1174.2-74.1174-160.300111.5H265 M272 A273 R294 L298 L374 P375H265-E269 WeakPolarHBondContact O-CG 3.21Å; H265-E269 PolarHBondContact O-N 2.84Å; E269-M272 PolarHBondContact O-N 3.27Å; E269-A273 VanDerWaalsContact O-CB 3.27Å; E269-A273 WeakPolarHBondContact O-CB 3.44Å; E269-A273 PolarHBondContact O-N 2.98Å; E269-R294 IonicContact OE1-CZ 3.52Å; E269-R294 IonicContact OE1-NE 3.44Å; E269-R294 IonicContact OE1-NH2 2.76Å; E269-R294 PolarHBondContact OE1-NH2 2.67Å; E269-L298 HydrophobicContact CG-CD1 4.1Å; E269-L298 HydrophobicContact CG-CD2 4.05Å; E269-L374 HydrophobicContact CB-CD1 4.13Å; E269-L374 HydrophobicContact CB-CD2 4.39Å; E269-L374 HydrophobicContact CG-CD2 3.98Å; E269-P375 WeakPolarHBondContact OE2-CB 3.3Å
270S98.9Very high98.8Very high0 Ų021.2 Ų21.20%011%0.113CC..Hα-helixtrans-61.5-44.1174.3-69.20000113.1D266 Q267 Q268 L274 S396 G397 T398D266-S270 WeakPolarHBondContact O-CB 3.46Å; D266-S270 PolarHBondContact O-N 3.11Å; D266-S270 PolarHBondContact O-OG 2.87Å; D266-S270 VanDerWaalsContact O-OG 3.06Å; Q267-S270 WeakPolarHBondContact O-CB 3.26Å; Q267-S270 PolarHBondContact O-N 3.06Å; Q268-S270 VanDerWaalsContact C-N 3.31Å; Q268-S270 PolarHBondContact O-N 3.22Å; S270-L274 WeakPolarHBondContact O-CB 3.36Å; S270-L274 WeakPolarHBondContact O-CG 3.43Å; S270-L274 PolarHBondContact O-N 3.01Å; S270-S396 PolarHBondContact OG-O 3.37Å; S270-G397 VanDerWaalsContact OG-C 3.22Å; S270-G397 WeakPolarHBondContact OG-CA 2.96Å; S270-T398 WeakPolarHBondContact CA-OG1 3.31Å; S270-T398 WeakPolarHBondContact CB-OG1 3.31Å; S270-T398 PolarHBondContact OG-N 3.03Å; S270-T398 PolarHBondContact OG-OG1 3.14Å
271Q98.9Very high98.8Very high0 Ų020.3 Ų20.30%011%0.109CC..Hα-helixtrans-61-52176.2-169.4-177.524.900110.7I227 M255 L256 V257 I258 Q267 Q268 A273 L274 W275I227-Q271 HydrophobicContact CD1-CG 4Å; I227-Q271 VanDerWaalsContact CD1-NE2 3.33Å; M255-Q271 PolarHBondContact O-NE2 2.92Å; L256-Q271 HydrophobicContact CD2-CG 3.98Å; V257-Q271 VanDerWaalsContact N-OE1 3.09Å; I258-Q271 HydrophobicContact CD1-CB 4.41Å; I258-Q271 HydrophobicContact CG1-CB 4.48Å; Q267-Q271 PolarHBondContact O-N 2.94Å; Q268-Q271 PolarHBondContact O-N 3.18Å; Q271-A273 VanDerWaalsContact C-N 3.33Å; Q271-A273 PolarHBondContact O-N 2.72Å; Q271-L274 PolarHBondContact O-N 3.41Å; Q271-W275 HydrophobicContact CB-CE3 4.4Å; Q271-W275 HydrophobicContact CB-CZ3 4.45Å; Q271-W275 HydrophobicContact CG-CD2 3.83Å; Q271-W275 HydrophobicContact CG-CE3 3.53Å; Q271-W275 HydrophobicContact CG-CH2 3.93Å; Q271-W275 HydrophobicContact CG-CZ2 4.19Å; Q271-W275 HydrophobicContact CG-CZ3 3.6Å; Q271-W275 WeakPolarHBondContact O-CB 3.31Å; Q271-W275 PolarHBondContact O-N 2.91Å
272M98.9Very high98.8Very high0 Ų012.7 Ų12.70%08%0.075CC..Hα-helixtrans-59.7-43.4-178.3-168.558.8-179.400112L256 I258 Q268 E269 A276 L282 L298 L299 I304 I305L256-M272 HydrophobicContact CD1-SD 4.11Å; I258-M272 HydrophobicContact CD1-CB 3.68Å; I258-M272 HydrophobicContact CD1-CG 4.39Å; I258-M272 HydrophobicContact CD1-SD 4.28Å; Q268-M272 PolarHBondContact O-N 3.42Å; E269-M272 PolarHBondContact O-N 3.27Å; M272-A276 WeakPolarHBondContact O-CB 3.37Å; M272-A276 PolarHBondContact O-N 3.43Å; M272-A276 VanDerWaalsContact O-N 3.15Å; M272-L282 HydrophobicContact CE-CD1 4.22Å; M272-L298 HydrophobicContact CB-CD1 3.98Å; M272-L298 HydrophobicContact CB-CD2 4.24Å; M272-L298 HydrophobicContact CB-CG 4.06Å; M272-L298 HydrophobicContact CG-CD1 4.03Å; M272-L298 HydrophobicContact CG-CG 4.15Å; M272-L299 HydrophobicContact SD-CD2 4.17Å; M272-I304 HydrophobicContact CE-CB 4.41Å; M272-I304 HydrophobicContact CE-CG2 4.17Å; M272-I304 HydrophobicContact CG-CD1 4.05Å; M272-I304 HydrophobicContact CG-CG2 3.92Å; M272-I305 HydrophobicContact CE-CG1 4.2Å
273A98.9Very high98.9Very high0 Ų011.6 Ų11.60%06%0.061CC..Hα-helixtrans-63-47.5178.900000112.2E269 Q271 A276 I277 L374 T398 L400E269-A273 VanDerWaalsContact O-CB 3.27Å; E269-A273 WeakPolarHBondContact O-CB 3.44Å; E269-A273 PolarHBondContact O-N 2.98Å; Q271-A273 VanDerWaalsContact C-N 3.33Å; Q271-A273 PolarHBondContact O-N 2.72Å; A273-A276 PolarHBondContact O-N 3.44Å; A273-I277 WeakPolarHBondContact O-CG1 3.45Å; A273-I277 PolarHBondContact O-N 3.44Å; A273-L374 HydrophobicContact CB-CD1 3.92Å; A273-T398 HydrophobicContact CB-CG2 3.73Å; A273-L400 HydrophobicContact CB-CB 4.19Å; A273-L400 HydrophobicContact CB-CD1 4.43Å; A273-L400 HydrophobicContact CB-CD2 4.05Å; A273-L400 HydrophobicContact CB-CG 4.46Å
274L98.9Very high98.9Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-76.4-33.1-174.4-68.9169.5000112.2L231 S270 Q271 A276 I277 M278 W328 A340 L342L231-L274 HydrophobicContact CD1-CD1 3.37Å; L231-L274 HydrophobicContact CD2-CB 3.75Å; L231-L274 HydrophobicContact CD2-CD1 3.7Å; L231-L274 HydrophobicContact CD2-CG 4.25Å; L231-L274 HydrophobicContact CG-CD1 4.16Å; S270-L274 WeakPolarHBondContact O-CB 3.36Å; S270-L274 WeakPolarHBondContact O-CG 3.43Å; S270-L274 PolarHBondContact O-N 3.01Å; Q271-L274 PolarHBondContact O-N 3.41Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 3Å; L274-I277 PolarHBondContact O-N 3.36Å; L274-M278 HydrophobicContact CB-CE 4.44Å; L274-M278 WeakPolarHBondContact O-CB 3.35Å; L274-M278 WeakPolarHBondContact O-CE 3.22Å; L274-M278 VanDerWaalsContact O-CG 3.23Å; L274-M278 WeakPolarHBondContact O-CG 3.42Å; L274-M278 PolarHBondContact O-N 2.94Å; L274-W328 HydrophobicContact CD2-CB 4Å; L274-W328 HydrophobicContact CD2-CD2 4.03Å; L274-W328 HydrophobicContact CD2-CG 3.67Å; L274-A340 HydrophobicContact CD2-CB 3.96Å; L274-L342 HydrophobicContact CD1-CD2 4.04Å
275W98.9Very high98.9Very high0 Ų08.6 Ų8.60%04%0.042CC..Hα-helixtrans-62.4-39.7170.2-91.2-121.1000111.1I227 I230 L231 P253 D254 L256 Q271 M278 A279 A280 L282I227-W275 HydrophobicContact CD1-CH2 4Å; I227-W275 HydrophobicContact CG2-CH2 4.2Å; I227-W275 HydrophobicContact CG2-CZ3 3.96Å; I230-W275 HydrophobicContact CB-CH2 4.49Å; I230-W275 HydrophobicContact CD1-CH2 4.39Å; I230-W275 HydrophobicContact CD1-CZ2 4.49Å; I230-W275 HydrophobicContact CG2-CH2 4.01Å; I230-W275 HydrophobicContact CG2-CZ2 4.34Å; L231-W275 HydrophobicContact CD2-CZ3 4.18Å; P253-W275 HydrophobicContact CB-CZ2 4.22Å; P253-W275 HydrophobicContact CG-CD2 4.35Å; P253-W275 HydrophobicContact CG-CG 4.44Å; P253-W275 HydrophobicContact CG-CZ2 4.29Å; D254-W275 PolarHBondContact O-NE1 3Å; L256-W275 HydrophobicContact CD2-CB 4Å; L256-W275 HydrophobicContact CD2-CD2 4.19Å; L256-W275 HydrophobicContact CD2-CG 3.65Å; Q271-W275 HydrophobicContact CB-CE3 4.4Å; Q271-W275 HydrophobicContact CB-CZ3 4.45Å; Q271-W275 HydrophobicContact CG-CD2 3.83Å; Q271-W275 HydrophobicContact CG-CE3 3.53Å; Q271-W275 HydrophobicContact CG-CH2 3.93Å; Q271-W275 HydrophobicContact CG-CZ2 4.19Å; Q271-W275 HydrophobicContact CG-CZ3 3.6Å; Q271-W275 WeakPolarHBondContact O-CB 3.31Å; Q271-W275 PolarHBondContact O-N 2.91Å; W275-M278 HydrophobicContact CD2-CE 3.82Å; W275-M278 HydrophobicContact CE3-CE 3.5Å; W275-M278 VanDerWaalsContact CE3-CE 3.5Å; W275-M278 HydrophobicContact CG-CE 4.35Å; W275-M278 HydrophobicContact CH2-CE 4.5Å; W275-M278 HydrophobicContact CZ3-CE 3.87Å; W275-M278 PolarHBondContact O-N 3.45Å; W275-A279 PolarHBondContact O-N 3.4Å; W275-A280 HydrophobicContact CB-CB 4.06Å; W275-A280 HydrophobicContact CG-CB 3.97Å; W275-A280 WeakPolarHBondContact O-CB 3.49Å; W275-A280 PolarHBondContact O-N 3.15Å; W275-L282 HydrophobicContact CB-CD2 4Å
276A98.9Very high98.9Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-65.4-38.8172.800000112.5M272 A273 L274 A279 I304 I307 R330M272-A276 WeakPolarHBondContact O-CB 3.37Å; M272-A276 PolarHBondContact O-N 3.43Å; M272-A276 VanDerWaalsContact O-N 3.15Å; A273-A276 PolarHBondContact O-N 3.44Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 3Å; A276-A279 PolarHBondContact O-N 3.2Å; A276-I304 HydrophobicContact CB-CG2 3.55Å; A276-I307 HydrophobicContact CB-CB 4.4Å; A276-I307 HydrophobicContact CB-CG2 4.15Å; A276-R330 WeakPolarHBondContact O-CD 3.4Å; A276-R330 PolarHBondContact O-NH1 3.1Å
277I98.9Very high98.9Very high0 Ų04.2 Ų4.20%02%0.021CC..Hα-helixtrans-66.4-37.3174.2-69.3-68.1000111.8A273 L274 A279 G316 W328 R330 A338 A340 L400A273-I277 WeakPolarHBondContact O-CG1 3.45Å; A273-I277 PolarHBondContact O-N 3.44Å; L274-I277 PolarHBondContact O-N 3.36Å; I277-A279 PolarHBondContact O-N 2.98Å; I277-G316 VanDerWaalsContact O-CA 3.24Å; I277-G316 WeakPolarHBondContact O-CA 3.42Å; I277-G316 PolarHBondContact O-N 3.37Å; I277-W328 HydrophobicContact CG2-CB 3.84Å; I277-W328 HydrophobicContact CG2-CE3 4.49Å; I277-R330 HydrophobicContact CD1-CB 3.79Å; I277-R330 HydrophobicContact CG2-CB 4.22Å; I277-R330 WeakPolarHBondContact O-CD 3.48Å; I277-A338 HydrophobicContact CD1-CB 3.61Å; I277-A340 HydrophobicContact CD1-CB 4.34Å; I277-A340 HydrophobicContact CG1-CB 3.79Å; I277-L400 HydrophobicContact CD1-CD1 4.12Å; I277-L400 HydrophobicContact CG1-CD1 4.23Å
278M98.9Very high98.9Very high4 Ų42.9 Ų2.92%0.022%0.015CC..THydrogen-bonded Turntrans-76.7-2.9-179.8-68.2-177-62.400113.8L231 T234 P253 L274 W275 A280 Q315 W328L231-M278 HydrophobicContact CD2-CE 3.87Å; L231-M278 HydrophobicContact CD2-SD 4.11Å; T234-M278 HydrophobicContact CG2-SD 3.73Å; P253-M278 HydrophobicContact CB-CE 4.15Å; P253-M278 HydrophobicContact CG-CE 3.96Å; L274-M278 HydrophobicContact CB-CE 4.44Å; L274-M278 WeakPolarHBondContact O-CB 3.35Å; L274-M278 WeakPolarHBondContact O-CE 3.22Å; L274-M278 VanDerWaalsContact O-CG 3.23Å; L274-M278 WeakPolarHBondContact O-CG 3.42Å; L274-M278 PolarHBondContact O-N 2.94Å; W275-M278 HydrophobicContact CD2-CE 3.82Å; W275-M278 HydrophobicContact CE3-CE 3.5Å; W275-M278 VanDerWaalsContact CE3-CE 3.5Å; W275-M278 HydrophobicContact CG-CE 4.35Å; W275-M278 HydrophobicContact CH2-CE 4.5Å; W275-M278 HydrophobicContact CZ3-CE 3.87Å; W275-M278 PolarHBondContact O-N 3.45Å; M278-A280 PolarHBondContact O-N 2.82Å; M278-Q315 WeakPolarHBondContact O-CG 3.34Å; M278-Q315 PolarHBondContact O-OE1 3.23Å; M278-W328 HydrophobicContact CG-CZ3 4.42Å
279A98.9Very high98.9Very high0 Ų05.7 Ų5.70%03%0.025CC..THydrogen-bonded Turntrans53.237.4-171.500000112.4P29 W250 W275 A276 I277 Q315 R330P29-A279 HydrophobicContact CG-CB 4.25Å; P29-A279 WeakPolarHBondContact CG-O 3.43Å; W250-A279 HydrophobicContact CE3-CB 3.9Å; W250-A279 HydrophobicContact CZ3-CB 3.79Å; W275-A279 PolarHBondContact O-N 3.4Å; A276-A279 PolarHBondContact O-N 3.2Å; I277-A279 PolarHBondContact O-N 2.98Å; A279-Q315 HydrophobicContact CB-CB 4.18Å; A279-R330 VanDerWaalsContact CA-NH1 3.34Å; A279-R330 VanDerWaalsContact CB-CZ 3.45Å
280A98.9Very high98.7Very high0 Ų011.9 Ų11.90%06%0.058CC..  trans-73.1149.9-178.900000111.4P29 P253 W275 M278 L282P29-A280 WeakPolarHBondContact CB-O 3.45Å; P253-A280 VanDerWaalsContact CD-CB 3.49Å; P253-A280 HydrophobicContact CG-CB 3.47Å; P253-A280 VanDerWaalsContact CG-CB 3.47Å; W275-A280 HydrophobicContact CB-CB 4.06Å; W275-A280 HydrophobicContact CG-CB 3.97Å; W275-A280 WeakPolarHBondContact O-CB 3.49Å; W275-A280 PolarHBondContact O-N 3.15Å; M278-A280 PolarHBondContact O-N 2.82Å; A280-L282 PolarHBondContact O-N 3.26Å
281P98.9Very high98.7Very high1 Ų112.8 Ų12.81%0.0066%0.063CC..  trans-49.5136157.3-23.834.7000110.3T30 H213 N251 D252 L283T30-P281 CarbonylContact O-C 3.51Å; T30-P281 WeakPolarHBondContact O-CA 3.4Å; H213-P281 HydrophobicContact CB-CG 4.12Å; N251-P281 WeakPolarHBondContact O-CD 3.45Å; D252-P281 HydrophobicContact CB-CG 4.28Å; P281-L283 HydrophobicContact CB-CD1 4.41Å; P281-L283 HydrophobicContact CB-CG 4.16Å; P281-L283 PolarHBondContact O-N 3.28Å
282L98.9Very high98.6Very high0 Ų015.5 Ų15.50%08%0.081CC..EExtended strand (participates in β ladder)trans-101.575.4175.3-53.5-176000108.6T30 M31 G32 Y75 L256 M272 W275 A280 S308T30-L282 PolarHBondContact O-N 3.43Å; M31-L282 WeakPolarHBondContact CA-O 3.49Å; M31-L282 HydrophobicContact CE-CD1 4.05Å; M31-L282 HydrophobicContact CG-CB 4.07Å; M31-L282 HydrophobicContact CG-CD1 4.38Å; M31-L282 HydrophobicContact CG-CG 4.4Å; M31-L282 HydrophobicContact SD-CD1 4.28Å; G32-L282 PolarHBondContact N-O 2.75Å; Y75-L282 HydrophobicContact CE1-CB 4.02Å; Y75-L282 WeakPolarHBondContact CE1-O 3.46Å; L256-L282 HydrophobicContact CD1-CB 3.93Å; L256-L282 HydrophobicContact CD1-CD2 4.15Å; M272-L282 HydrophobicContact CE-CD1 4.22Å; W275-L282 HydrophobicContact CB-CD2 4Å; A280-L282 PolarHBondContact O-N 3.26Å; L282-S308 WeakPolarHBondContact CD1-OG 3.23Å
283L98.9Very high98.6Very high10 Ų1020.5 Ų20.55%0.05211%0.114CC..EExtended strand (participates in β ladder)trans-95.9106.5176.5-61178.4000109T30 G32 L34 M255 L256 P281T30-L283 HydrophobicContact CG2-CD2 4.41Å; G32-L283 WeakPolarHBondContact O-CA 3.45Å; L34-L283 HydrophobicContact CB-CB 4.47Å; M255-L283 CarbonylContact C-O 3.48Å; M255-L283 WeakPolarHBondContact CA-O 3.47Å; M255-L283 WeakPolarHBondContact CB-O 3.24Å; M255-L283 HydrophobicContact CG-CB 4.46Å; L256-L283 PolarHBondContact N-O 3.45Å; P281-L283 HydrophobicContact CB-CD1 4.41Å; P281-L283 HydrophobicContact CB-CG 4.16Å; P281-L283 PolarHBondContact O-N 3.28Å
284M98.9Very high98.6Very high0 Ų025.7 Ų25.70%013%0.133CC..EExtended strand (participates in β ladder)trans-73.6137.3176.5-56.7-178.9-66.400110.3G32 W33 L34 W70 Y75 L288 L299G32-M284 PolarHBondContact O-N 3.06Å; W33-M284 CarbonylContact C-O 3.36Å; W33-M284 WeakPolarHBondContact CA-O 3.49Å; L34-M284 PolarHBondContact N-O 3Å; W70-M284 HydrophobicContact CD2-CE 4.04Å; W70-M284 HydrophobicContact CD2-SD 4.49Å; W70-M284 HydrophobicContact CE3-CE 3.63Å; W70-M284 HydrophobicContact CE3-SD 3.65Å; W70-M284 HydrophobicContact CH2-SD 4.12Å; W70-M284 HydrophobicContact CZ3-CE 4.05Å; W70-M284 HydrophobicContact CZ3-SD 3.44Å; W70-M284 WeakPolarHBondContact CZ3-SD 2.99Å; Y75-M284 HydrophobicContact CD1-CE 3.61Å; Y75-M284 HydrophobicContact CD1-CG 4.08Å; Y75-M284 HydrophobicContact CD1-SD 4.03Å; Y75-M284 HydrophobicContact CD2-CE 4.18Å; Y75-M284 HydrophobicContact CE1-CE 3.96Å; Y75-M284 HydrophobicContact CE1-CG 3.61Å; Y75-M284 HydrophobicContact CE1-SD 3.72Å; Y75-M284 HydrophobicContact CE2-CE 4.5Å; Y75-M284 HydrophobicContact CE2-SD 4.25Å; Y75-M284 HydrophobicContact CG-CE 3.72Å; Y75-M284 HydrophobicContact CG-SD 4.42Å; M284-L288 HydrophobicContact CE-CD2 4.22Å; M284-L299 HydrophobicContact CG-CD1 4.45Å; M284-L299 HydrophobicContact CG-CD2 4.09Å; M284-L299 HydrophobicContact SD-CB 4.31Å; M284-L299 HydrophobicContact SD-CD1 3.86Å; M284-L299 HydrophobicContact SD-CD2 4.18Å; M284-L299 HydrophobicContact SD-CG 4.35Å
285S98.9Very high98.6Very high0 Ų025.8 Ų25.80%013%0.134CC..  trans-126.892.8166173.80000109.3L34 E37 R38 M255 L256 N260L34-S285 WeakPolarHBondContact O-CA 3.34Å; L34-S285 WeakPolarHBondContact O-CB 2.89Å; L34-S285 PolarHBondContact O-OG 3.32Å; E37-S285 WeakPolarHBondContact CA-OG 3.31Å; E37-S285 VanDerWaalsContact CB-OG 3.29Å; E37-S285 WeakPolarHBondContact CB-OG 3.4Å; E37-S285 PolarHBondContact N-OG 3.49Å; E37-S285 VanDerWaalsContact N-OG 3.09Å; R38-S285 PolarHBondContact N-OG 2.79Å; M255-S285 VanDerWaalsContact SD-CB 3.52Å; L256-S285 PolarHBondContact O-N 3.32Å; N260-S285 PolarHBondContact ND2-O 3.5Å
286N98.8Very high98.5Very high1 Ų128 Ų281%0.00514%0.144CC..SBendtrans-157172.4-17655.522.9000110.5W33 I258 N260 L288W33-N286 PolarHBondContact NE1-O 3.22Å; I258-N286 PolarHBondContact O-ND2 2.91Å; N260-N286 VanDerWaalsContact OD1-CA 3.31Å; N260-N286 WeakPolarHBondContact OD1-CA 3.43Å; N260-N286 VanDerWaalsContact OD1-CB 3.25Å; N260-N286 WeakPolarHBondContact OD1-CB 3.42Å; N286-L288 PolarHBondContact O-N 3.47Å; N286-L288 WeakPolarHBondContact OD1-CD2 3.4Å
287D98.8Very high98.5Very high20 Ų2034.6 Ų34.611%0.10717%0.174CC..  trans-91.3101.4174.1-167.7-19.6000110.7F39 R289 D290 I291F39-D287 HydrophobicContact CZ-CB 3.92Å; D287-R289 PolarHBondContact O-N 2.8Å; D287-R289 VanDerWaalsContact O-N 3.15Å; D287-R289 WeakPolarHBondContact OD1-CB 3.34Å; D287-R289 WeakPolarHBondContact OD1-CG 3.42Å; D287-R289 IonicContact OD1-CZ 3.91Å; D287-R289 PolarHBondContact OD1-N 2.79Å; D287-R289 IonicContact OD1-NE 3.83Å; D287-R289 PolarHBondContact OD1-NE 3.09Å; D287-R289 IonicContact OD1-NH2 3.77Å; D287-R289 IonicContact OD2-CZ 2.91Å; D287-R289 IonicContact OD2-NE 3.69Å; D287-R289 PolarHBondContact OD2-NE 3.44Å; D287-R289 IonicContact OD2-NH2 3.67Å; D287-R289 PolarHBondContact OD2-NH2 3.48Å; D287-D290 CarbonylContact O-C 3.52Å; D287-D290 PolarHBondContact O-N 2.85Å; D287-I291 PolarHBondContact O-N 3.11Å
288L98.8Very high98.5Very high1 Ų135.4 Ų35.41%0.00518%0.178CC..THydrogen-bonded Turntrans-67.3-13.4-178.8-60.7-179.5000113.5W33 M61 M64 M65 W70 M284 N286 D290W33-L288 HydrophobicContact CG-CD1 4.35Å; M61-L288 HydrophobicContact SD-CB 3.86Å; M61-L288 HydrophobicContact SD-CD1 4.4Å; M61-L288 HydrophobicContact SD-CG 4.12Å; M64-L288 HydrophobicContact CB-CB 3.8Å; M64-L288 HydrophobicContact CB-CD1 4.49Å; M64-L288 VanDerWaalsContact CE-O 3.24Å; M64-L288 WeakPolarHBondContact CE-O 3.33Å; M64-L288 HydrophobicContact CG-CB 4.38Å; M65-L288 HydrophobicContact CG-CD1 3.54Å; M65-L288 HydrophobicContact SD-CD1 4.48Å; W70-L288 HydrophobicContact CD2-CD2 4.35Å; W70-L288 HydrophobicContact CH2-CD2 4.36Å; W70-L288 HydrophobicContact CZ2-CD2 3.78Å; M284-L288 HydrophobicContact CE-CD2 4.22Å; N286-L288 PolarHBondContact O-N 3.47Å; N286-L288 WeakPolarHBondContact OD1-CD2 3.4Å; L288-D290 VanDerWaalsContact C-N 3.34Å
289R98.6Very high98.5Very high70 Ų7035.2 Ų35.226%0.26418%0.177SC..THydrogen-bonded Turntrans-75.4-27.7179.1-54169.8-64.4-174.84.9111.7D50 N51 M61 M64 D287D50-R289 VanDerWaalsContact O-CZ 3.31Å; D50-R289 PolarHBondContact O-NH1 3.16Å; D50-R289 PolarHBondContact O-NH2 3.19Å; D50-R289 VanDerWaalsContact O-NH2 3.1Å; N51-R289 PolarHBondContact OD1-NH2 3.33Å; M61-R289 HydrophobicContact CE-CG 4.32Å; M64-R289 HydrophobicContact CG-CG 4.16Å; D287-R289 PolarHBondContact O-N 2.8Å; D287-R289 VanDerWaalsContact O-N 3.15Å; D287-R289 WeakPolarHBondContact OD1-CB 3.34Å; D287-R289 WeakPolarHBondContact OD1-CG 3.42Å; D287-R289 IonicContact OD1-CZ 3.91Å; D287-R289 PolarHBondContact OD1-N 2.79Å; D287-R289 IonicContact OD1-NE 3.83Å; D287-R289 PolarHBondContact OD1-NE 3.09Å; D287-R289 IonicContact OD1-NH2 3.77Å; D287-R289 IonicContact OD2-CZ 2.91Å; D287-R289 IonicContact OD2-NE 3.69Å; D287-R289 PolarHBondContact OD2-NE 3.44Å; D287-R289 IonicContact OD2-NH2 3.67Å; D287-R289 PolarHBondContact OD2-NH2 3.48Å
290D95.7Very high98.5Very high142 Ų14237.3 Ų37.376%0.75919%0.188SC*.SBendtrans-141.956.2-176.1-169.526.6000111.8D287 L288D287-D290 CarbonylContact O-C 3.52Å; D287-D290 PolarHBondContact O-N 2.85Å; L288-D290 VanDerWaalsContact C-N 3.34Å
291I97.9Very high98.5Very high19 Ų1939.2 Ų39.210%0.09720%0.198CC..  trans-92.3134.9177.1-169.4170.1000111.3W70 D287 K296 L299W70-I291 HydrophobicContact CH2-CD1 3.92Å; W70-I291 HydrophobicContact CZ2-CD1 4.11Å; W70-I291 HydrophobicContact CZ2-CG2 4.13Å; D287-I291 PolarHBondContact O-N 3.11Å; I291-K296 HydrophobicContact CG2-CB 4.16Å; I291-K296 HydrophobicContact CG2-CD 4.44Å; I291-L299 HydrophobicContact CD1-CD1 3.9Å
292C97.8Very high98.5Very high57 Ų5747.4 Ų47.439%0.38523%0.228SC..  trans-55132.6174.7176.20000111.3R294 S295 K296C292-R294 PolarHBondContact O-N 3.32Å; C292-R294 VanDerWaalsContact O-N 3.15Å; C292-S295 WeakPolarHBondContact O-CB 3.49Å; C292-S295 PolarHBondContact O-N 3.5Å; C292-K296 PolarHBondContact O-N 2.71Å
293P98.4Very high98.5Very high105 Ų10552.1 Ų52.168%0.68225%0.246SC*.Hα-helixtrans-54.3-37-178.6-29.635.5000114.4K296 E297P293-K296 PolarHBondContact O-N 2.82Å; P293-E297 WeakPolarHBondContact O-CB 3.48Å; P293-E297 PolarHBondContact O-N 3.35Å
294R98Very high98.5Very high109 Ų10951.7 Ų51.741%0.41124%0.244SC..Hα-helixtrans-67.6-39.9177.8-176.1172.6174.8-174.91112.1H265 E269 C292 E297 L298H265-R294 VanDerWaalsContact CB-CZ 3.41Å; H265-R294 PolarHBondContact CD2-NH1 2.84Å; H265-R294 VanDerWaalsContact CG-NH1 3.28Å; E269-R294 IonicContact OE1-CZ 3.52Å; E269-R294 IonicContact OE1-NE 3.44Å; E269-R294 IonicContact OE1-NH2 2.76Å; E269-R294 PolarHBondContact OE1-NH2 2.67Å; C292-R294 PolarHBondContact O-N 3.32Å; C292-R294 VanDerWaalsContact O-N 3.15Å; R294-E297 PolarHBondContact O-N 2.77Å; R294-L298 WeakPolarHBondContact O-CB 3.25Å; R294-L298 PolarHBondContact O-N 2.64Å
295S98.7Very high98.5Very high2 Ų252.3 Ų52.31%0.01425%0.247CC..Hα-helixtrans-67.6-39176-56.90000111.2Q268 C292 L298 L299Q268-S295 PolarHBondContact OE1-OG 3.38Å; C292-S295 WeakPolarHBondContact O-CB 3.49Å; C292-S295 PolarHBondContact O-N 3.5Å; S295-L298 PolarHBondContact O-N 3.41Å; S295-L299 WeakPolarHBondContact O-CG 3.49Å; S295-L299 PolarHBondContact O-N 2.83Å
296K98.8Very high98.5Very high47 Ų4757.4 Ų57.420%0.20427%0.271CS..Hα-helixtrans-60.9-49.6172.7176.9174.1-179.3-179.80112.4D68 W70 I291 C292 P293 L298 L299 Q300D68-K296 VanDerWaalsContact CB-NZ 3.25Å; D68-K296 WeakPolarHBondContact O-CE 3.13Å; D68-K296 PolarHBondContact O-NZ 2.79Å; D68-K296 VanDerWaalsContact O-NZ 3.16Å; D68-K296 IonicContact OD2-NZ 2.71Å; D68-K296 PolarHBondContact OD2-NZ 3.29Å; W70-K296 HydrophobicContact CH2-CB 4.09Å; W70-K296 HydrophobicContact CH2-CG 3.83Å; W70-K296 HydrophobicContact CZ2-CB 4.17Å; W70-K296 HydrophobicContact CZ2-CD 4.13Å; W70-K296 HydrophobicContact CZ2-CG 3.68Å; I291-K296 HydrophobicContact CG2-CB 4.16Å; I291-K296 HydrophobicContact CG2-CD 4.44Å; C292-K296 PolarHBondContact O-N 2.71Å; P293-K296 PolarHBondContact O-N 2.82Å; K296-L298 VanDerWaalsContact C-N 3.29Å; K296-L298 PolarHBondContact O-N 2.71Å; K296-L299 PolarHBondContact O-N 2.96Å; K296-Q300 HydrophobicContact CG-CG 4.49Å; K296-Q300 WeakPolarHBondContact O-CB 3.24Å; K296-Q300 WeakPolarHBondContact O-CG 3.44Å; K296-Q300 PolarHBondContact O-N 3.48Å
297E98.7Very high98.5Very high139 Ų13957.3 Ų57.365%0.6527%0.271SS*.Hα-helixtrans-58.7-41.9177.3-177.2179-174.500111.8P293 R294 Q300 N301P293-E297 WeakPolarHBondContact O-CB 3.48Å; P293-E297 PolarHBondContact O-N 3.35Å; R294-E297 PolarHBondContact O-N 2.77Å; E297-Q300 CarbonylContact O-C 3.46Å; E297-Q300 PolarHBondContact O-N 3.17Å; E297-N301 PolarHBondContact O-N 3.46Å
298L98.9Very high98.5Very high16 Ų1656.4 Ų56.48%0.08427%0.265CS..Hα-helixtrans-61.9-50.817717562.5000112.1I258 Q268 E269 M272 R294 S295 K296 Q300 N301 I304 L374I258-L298 HydrophobicContact CD1-CD2 4.18Å; I258-L298 HydrophobicContact CG2-CD2 4.13Å; Q268-L298 HydrophobicContact CB-CD2 3.87Å; E269-L298 HydrophobicContact CG-CD1 4.1Å; E269-L298 HydrophobicContact CG-CD2 4.05Å; M272-L298 HydrophobicContact CB-CD1 3.98Å; M272-L298 HydrophobicContact CB-CD2 4.24Å; M272-L298 HydrophobicContact CB-CG 4.06Å; M272-L298 HydrophobicContact CG-CD1 4.03Å; M272-L298 HydrophobicContact CG-CG 4.15Å; R294-L298 WeakPolarHBondContact O-CB 3.25Å; R294-L298 PolarHBondContact O-N 2.64Å; S295-L298 PolarHBondContact O-N 3.41Å; K296-L298 VanDerWaalsContact C-N 3.29Å; K296-L298 PolarHBondContact O-N 2.71Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 2.77Å; L298-N301 WeakPolarHBondContact O-CB 3.29Å; L298-N301 PolarHBondContact O-N 3.28Å; L298-N301 VanDerWaalsContact O-N 3.16Å; L298-I304 HydrophobicContact CD1-CD1 3.92Å; L298-L374 HydrophobicContact CD1-CD2 4.14Å
299L98.9Very high98.5Very high0 Ų057.9 Ų57.90%027%0.273CS..Hα-helixtrans-65.1-32.9179.8-74.1162.5000111.8W70 Y75 L256 I258 M272 M284 I291 S295 K296 N301W70-L299 HydrophobicContact CH2-CB 4.02Å; W70-L299 HydrophobicContact CH2-CD1 3.99Å; W70-L299 HydrophobicContact CZ3-CB 3.56Å; W70-L299 HydrophobicContact CZ3-CD1 4.14Å; W70-L299 HydrophobicContact CZ3-CG 4.49Å; Y75-L299 PolarHBondContact OH-O 2.95Å; L256-L299 HydrophobicContact CB-CD2 4.39Å; L256-L299 HydrophobicContact CD1-CD2 3.69Å; I258-L299 HydrophobicContact CB-CD1 4.04Å; I258-L299 HydrophobicContact CB-CD2 4.01Å; I258-L299 HydrophobicContact CB-CG 4.05Å; I258-L299 HydrophobicContact CD1-CD2 3.83Å; I258-L299 HydrophobicContact CD1-CG 4.38Å; I258-L299 HydrophobicContact CG1-CD2 4.49Å; I258-L299 HydrophobicContact CG2-CD1 3.75Å; I258-L299 HydrophobicContact CG2-CD2 4.19Å; I258-L299 HydrophobicContact CG2-CG 3.7Å; M272-L299 HydrophobicContact SD-CD2 4.17Å; M284-L299 HydrophobicContact CG-CD1 4.45Å; M284-L299 HydrophobicContact CG-CD2 4.09Å; M284-L299 HydrophobicContact SD-CB 4.31Å; M284-L299 HydrophobicContact SD-CD1 3.86Å; M284-L299 HydrophobicContact SD-CD2 4.18Å; M284-L299 HydrophobicContact SD-CG 4.35Å; I291-L299 HydrophobicContact CD1-CD1 3.9Å; S295-L299 WeakPolarHBondContact O-CG 3.49Å; S295-L299 PolarHBondContact O-N 2.83Å; K296-L299 PolarHBondContact O-N 2.96Å; L299-N301 VanDerWaalsContact C-N 3.31Å
300Q98.9Very high98.5Very high45 Ų4554.8 Ų54.821%0.2126%0.261CS..THydrogen-bonded Turntrans-87.66.5176.8-64.6-176.2-15.400113.8D68 W70 A73 K296 E297 L298 R302D68-Q300 PolarHBondContact O-NE2 3Å; W70-Q300 HydrophobicContact CD2-CG 4.4Å; W70-Q300 VanDerWaalsContact CD2-NE2 3.35Å; W70-Q300 HydrophobicContact CE3-CG 3.71Å; W70-Q300 HydrophobicContact CH2-CG 4.26Å; W70-Q300 HydrophobicContact CZ3-CG 3.62Å; A73-Q300 HydrophobicContact CB-CB 4.33Å; A73-Q300 HydrophobicContact CB-CG 4.18Å; K296-Q300 HydrophobicContact CG-CG 4.49Å; K296-Q300 WeakPolarHBondContact O-CB 3.24Å; K296-Q300 WeakPolarHBondContact O-CG 3.44Å; K296-Q300 PolarHBondContact O-N 3.48Å; E297-Q300 CarbonylContact O-C 3.46Å; E297-Q300 PolarHBondContact O-N 3.17Å; L298-Q300 VanDerWaalsContact C-N 3.28Å; L298-Q300 PolarHBondContact O-N 2.77Å; Q300-R302 PolarHBondContact O-N 3.22Å
301N98.8Very high98.6Very high40 Ų4052.1 Ų52.121%0.21425%0.251CS..  trans-66.4101.5-176.9-171.7-41.3000110.9E297 L298 L299 R303 I304 I305E297-N301 PolarHBondContact O-N 3.46Å; L298-N301 WeakPolarHBondContact O-CB 3.29Å; L298-N301 PolarHBondContact O-N 3.28Å; L298-N301 VanDerWaalsContact O-N 3.16Å; L299-N301 VanDerWaalsContact C-N 3.31Å; N301-R303 PolarHBondContact O-N 3.45Å; N301-R303 WeakPolarHBondContact OD1-CB 3.41Å; N301-R303 PolarHBondContact OD1-N 3.12Å; N301-I304 HydrophobicContact CB-CB 4.42Å; N301-I304 HydrophobicContact CB-CD1 3.97Å; N301-I304 HydrophobicContact CB-CG1 4.07Å; N301-I304 PolarHBondContact O-N 2.87Å; N301-I304 PolarHBondContact OD1-N 3.16Å; N301-I305 PolarHBondContact O-N 3.36Å
302R98.6Very high98.6Very high172 Ų17254.3 Ų54.365%0.64926%0.263SS*.Hα-helixtrans-54.5-31.6-176.6-68.2-174.1175.4-179.3-2113.6Q300 E306Q300-R302 PolarHBondContact O-N 3.22Å; R302-E306 VanDerWaalsContact O-CB 3.32Å; R302-E306 WeakPolarHBondContact O-CB 3.49Å; R302-E306 WeakPolarHBondContact O-CG 3.39Å; R302-E306 PolarHBondContact O-N 3.13Å
303R98.6Very high98.7Very high100 Ų10051.7 Ų51.738%0.37725%0.245SC..Hα-helixtrans-73-34.3-179.4-55.5-168.8-178.9-69.18.4112.1N301 I307 I373 Y377N301-R303 PolarHBondContact O-N 3.45Å; N301-R303 WeakPolarHBondContact OD1-CB 3.41Å; N301-R303 PolarHBondContact OD1-N 3.12Å; R303-I307 WeakPolarHBondContact O-CG1 3.37Å; R303-I307 PolarHBondContact O-N 3.05Å; R303-I373 HydrophobicContact CB-CD1 3.92Å; R303-I373 HydrophobicContact CB-CG1 4.15Å; R303-I373 HydrophobicContact CB-CG2 3.99Å; R303-Y377 PolarHBondContact NH2-OH 3.45Å
304I98.9Very high98.7Very high0 Ų052.3 Ų52.30%024%0.238CC..Hα-helixtrans-75.5-41.2174.8-51.9177.4000110M272 A276 L298 N301 E306 I307 S308 I373 L374 L400M272-I304 HydrophobicContact CE-CB 4.41Å; M272-I304 HydrophobicContact CE-CG2 4.17Å; M272-I304 HydrophobicContact CG-CD1 4.05Å; M272-I304 HydrophobicContact CG-CG2 3.92Å; A276-I304 HydrophobicContact CB-CG2 3.55Å; L298-I304 HydrophobicContact CD1-CD1 3.92Å; N301-I304 HydrophobicContact CB-CB 4.42Å; N301-I304 HydrophobicContact CB-CD1 3.97Å; N301-I304 HydrophobicContact CB-CG1 4.07Å; N301-I304 PolarHBondContact O-N 2.87Å; N301-I304 PolarHBondContact OD1-N 3.16Å; I304-E306 VanDerWaalsContact C-N 3.32Å; I304-E306 PolarHBondContact O-N 2.97Å; I304-I307 WeakPolarHBondContact O-CB 3.43Å; I304-I307 PolarHBondContact O-N 3.49Å; I304-I307 VanDerWaalsContact O-N 3.1Å; I304-S308 PolarHBondContact O-N 3.5Å; I304-I373 HydrophobicContact CD1-CG2 4.26Å; I304-I373 HydrophobicContact CG1-CG2 3.64Å; I304-L374 HydrophobicContact CD1-CD1 3.73Å; I304-L374 HydrophobicContact CD1-CD2 4.19Å; I304-L374 HydrophobicContact CD1-CG 3.96Å; I304-L400 HydrophobicContact CB-CD2 4.5Å; I304-L400 HydrophobicContact CD1-CD2 4.36Å; I304-L400 HydrophobicContact CG1-CD2 3.91Å; I304-L400 HydrophobicContact CG2-CD2 4.11Å
305I98.9Very high98.7Very high14 Ų1447.5 Ų47.57%0.07222%0.22CC..Hα-helixtrans-59.9-42.4174.2-65.9167.5000110.7M31 A73 Y75 M272 N301 I307 S308 Q309M31-I305 HydrophobicContact CE-CD1 4.13Å; M31-I305 HydrophobicContact CE-CG1 4.13Å; M31-I305 HydrophobicContact CE-CG2 3.94Å; M31-I305 HydrophobicContact SD-CG2 3.95Å; A73-I305 HydrophobicContact CB-CD1 4.06Å; Y75-I305 HydrophobicContact CE2-CD1 4.38Å; M272-I305 HydrophobicContact CE-CG1 4.2Å; N301-I305 PolarHBondContact O-N 3.36Å; I305-I307 VanDerWaalsContact C-N 3.25Å; I305-I307 PolarHBondContact O-N 2.99Å; I305-S308 WeakPolarHBondContact O-CB 3.28Å; I305-S308 PolarHBondContact O-N 2.98Å; I305-S308 VanDerWaalsContact O-N 3.1Å; I305-Q309 HydrophobicContact CG2-CG 3.79Å; I305-Q309 WeakPolarHBondContact O-CB 3.36Å; I305-Q309 VanDerWaalsContact O-CG 3.29Å; I305-Q309 WeakPolarHBondContact O-CG 3.47Å; I305-Q309 PolarHBondContact O-N 3.16Å
306E98.8Very high98.7Very high106 Ų10647.4 Ų47.450%0.49522%0.219SC..Hα-helixtrans-59.6-32.8175-81.9170.9-162.100113.3R302 I304 D310R302-E306 VanDerWaalsContact O-CB 3.32Å; R302-E306 WeakPolarHBondContact O-CB 3.49Å; R302-E306 WeakPolarHBondContact O-CG 3.39Å; R302-E306 PolarHBondContact O-N 3.13Å; I304-E306 VanDerWaalsContact C-N 3.32Å; I304-E306 PolarHBondContact O-N 2.97Å; E306-D310 PolarHBondContact O-N 3.24Å
307I98.9Very high98.7Very high0 Ų049.4 Ų49.40%023%0.226CC..Hα-helixtrans-69-51.2172-66.1165.3000109.3A276 R303 I304 I305 Q309 D310 R330 L332 A338 I373 L400 T402A276-I307 HydrophobicContact CB-CB 4.4Å; A276-I307 HydrophobicContact CB-CG2 4.15Å; R303-I307 WeakPolarHBondContact O-CG1 3.37Å; R303-I307 PolarHBondContact O-N 3.05Å; I304-I307 WeakPolarHBondContact O-CB 3.43Å; I304-I307 PolarHBondContact O-N 3.49Å; I304-I307 VanDerWaalsContact O-N 3.1Å; I305-I307 VanDerWaalsContact C-N 3.25Å; I305-I307 PolarHBondContact O-N 2.99Å; I307-Q309 VanDerWaalsContact C-N 3.29Å; I307-Q309 PolarHBondContact O-N 3.3Å; I307-D310 WeakPolarHBondContact O-CB 3.36Å; I307-D310 PolarHBondContact O-N 3.04Å; I307-R330 PolarHBondContact O-NH1 2.68Å; I307-R330 PolarHBondContact O-NH2 2.96Å; I307-L332 HydrophobicContact CG1-CD1 4.31Å; I307-L332 HydrophobicContact CG2-CD2 4.22Å; I307-A338 HydrophobicContact CD1-CB 4.04Å; I307-A338 HydrophobicContact CG1-CB 4.21Å; I307-A338 HydrophobicContact CG2-CB 3.75Å; I307-I373 HydrophobicContact CD1-CD1 3.6Å; I307-L400 HydrophobicContact CD1-CD1 4.25Å; I307-L400 HydrophobicContact CD1-CD2 3.92Å; I307-L400 HydrophobicContact CD1-CG 4.18Å; I307-T402 HydrophobicContact CD1-CG2 3.68Å; I307-T402 HydrophobicContact CG1-CG2 3.88Å
308S98.9Very high98.7Very high0 Ų045.1 Ų45.10%020%0.204CC..Hα-helixtrans-53.2-48.5178.51760000111.5L282 I304 I305 D310 R330L282-S308 WeakPolarHBondContact CD1-OG 3.23Å; I304-S308 PolarHBondContact O-N 3.5Å; I305-S308 WeakPolarHBondContact O-CB 3.28Å; I305-S308 PolarHBondContact O-N 2.98Å; I305-S308 VanDerWaalsContact O-N 3.1Å; S308-D310 VanDerWaalsContact C-N 3.35Å; S308-D310 PolarHBondContact O-N 3.01Å; S308-R330 VanDerWaalsContact CA-NH1 3.28Å; S308-R330 PolarHBondContact O-NH1 2.69Å; S308-R330 PolarHBondContact O-NH2 2.7Å
309Q98.8Very high98.6Very high33 Ų3346 Ų4615%0.15421%0.211CC..THydrogen-bonded Turntrans-91.516.2-171.9-62.2-62.5-60.400114K28 P29 M31 I305 I307K28-Q309 HydrophobicContact CD-CB 4.11Å; K28-Q309 WeakPolarHBondContact CD-O 3.43Å; K28-Q309 VanDerWaalsContact CE-O 3.32Å; K28-Q309 WeakPolarHBondContact CE-O 3.29Å; K28-Q309 PolarHBondContact NZ-O 2.94Å; P29-Q309 PolarHBondContact O-NE2 2.94Å; M31-Q309 VanDerWaalsContact SD-CD 3.57Å; M31-Q309 HydrophobicContact SD-CG 3.69Å; I305-Q309 HydrophobicContact CG2-CG 3.79Å; I305-Q309 WeakPolarHBondContact O-CB 3.36Å; I305-Q309 VanDerWaalsContact O-CG 3.29Å; I305-Q309 WeakPolarHBondContact O-CG 3.47Å; I305-Q309 PolarHBondContact O-N 3.16Å; I307-Q309 VanDerWaalsContact C-N 3.29Å; I307-Q309 PolarHBondContact O-N 3.3Å
310D98.8Very high98.5Very high4 Ų448 Ų482%0.02123%0.227CC..  trans-61.7129.6179.5-177.2-84.1000111.1E306 I307 S308 L312 G313 L332 S333 R336E306-D310 PolarHBondContact O-N 3.24Å; I307-D310 WeakPolarHBondContact O-CB 3.36Å; I307-D310 PolarHBondContact O-N 3.04Å; S308-D310 VanDerWaalsContact C-N 3.35Å; S308-D310 PolarHBondContact O-N 3.01Å; D310-L312 PolarHBondContact O-N 3.41Å; D310-L312 VanDerWaalsContact O-N 3.16Å; D310-L312 WeakPolarHBondContact OD1-CB 3.43Å; D310-L312 PolarHBondContact OD1-N 3.49Å; D310-G313 PolarHBondContact O-N 2.98Å; D310-L332 HydrophobicContact CB-CD2 3.74Å; D310-S333 VanDerWaalsContact CG-N 3.29Å; D310-S333 WeakPolarHBondContact OD1-CB 3.36Å; D310-S333 PolarHBondContact OD1-N 3.28Å; D310-S333 WeakPolarHBondContact OD2-CB 3.22Å; D310-S333 PolarHBondContact OD2-N 2.92Å; D310-S333 PolarHBondContact OD2-OG 2.82Å; D310-R336 IonicContact OD2-NH2 2.75Å
311P98.1Very high98.4Very high86 Ų8650.9 Ų50.956%0.55824%0.239SC*.THydrogen-bonded Turntrans-70.5-11.7-171.329.5-37.3000114.1G313P311-G313 PolarHBondContact O-N 2.77Å
312L98.3Very high98.2Very high66 Ų6651 Ų5135%0.34625%0.25SC..THydrogen-bonded Turntrans-64.4-28170.5-177.858.4000110.9D310 K314 P331D310-L312 PolarHBondContact O-N 3.41Å; D310-L312 VanDerWaalsContact O-N 3.16Å; D310-L312 WeakPolarHBondContact OD1-CB 3.43Å; D310-L312 PolarHBondContact OD1-N 3.49Å; L312-K314 HydrophobicContact CD1-CD 4.25Å; L312-K314 HydrophobicContact CD1-CG 4.39Å; L312-K314 HydrophobicContact CD2-CB 4.42Å; L312-K314 HydrophobicContact CD2-CD 4.08Å; L312-K314 HydrophobicContact CD2-CG 4.37Å; L312-K314 HydrophobicContact CG-CB 4.21Å; L312-K314 HydrophobicContact CG-CD 4.02Å; L312-K314 HydrophobicContact CG-CG 3.91Å; L312-K314 PolarHBondContact O-N 2.92Å; L312-P331 HydrophobicContact CD2-CB 4.27Å
313G98.1Very high97.9Very high1 Ų149.5 Ų49.51%0.0126%0.255CS..  trans60.617.7174.600000114.8G246 W250 D310 P311G246-G313 WeakPolarHBondContact CA-O 3.41Å; W250-G313 VanDerWaalsContact CZ3-O 3.28Å; W250-G313 WeakPolarHBondContact CZ3-O 3.2Å; D310-G313 PolarHBondContact O-N 2.98Å; P311-G313 PolarHBondContact O-N 2.77Å
314K98.6Very high97.7Very high119 Ų11947.2 Ų47.252%0.51725%0.254SS..  trans-84120.9175.3-74.3-175.1-179.7-1710109.7L312 R330L312-K314 HydrophobicContact CD1-CD 4.25Å; L312-K314 HydrophobicContact CD1-CG 4.39Å; L312-K314 HydrophobicContact CD2-CB 4.42Å; L312-K314 HydrophobicContact CD2-CD 4.08Å; L312-K314 HydrophobicContact CD2-CG 4.37Å; L312-K314 HydrophobicContact CG-CB 4.21Å; L312-K314 HydrophobicContact CG-CD 4.02Å; L312-K314 HydrophobicContact CG-CG 3.91Å; L312-K314 PolarHBondContact O-N 2.92Å; K314-R330 WeakPolarHBondContact O-CG 3.28Å; K314-R330 PolarHBondContact O-NE 3.13Å
315Q98.8Very high97.7Very high8 Ų847.6 Ų47.64%0.03726%0.256CS..  trans-61.9140.7169.8168.8163.9-900110.2V242 A245 N251 M278 A279V242-Q315 HydrophobicContact CB-CG 4.48Å; V242-Q315 HydrophobicContact CG1-CB 4.26Å; V242-Q315 HydrophobicContact CG1-CG 4.17Å; V242-Q315 HydrophobicContact CG2-CG 4.12Å; A245-Q315 HydrophobicContact CB-CB 3.81Å; A245-Q315 VanDerWaalsContact CB-OE1 3.24Å; N251-Q315 PolarHBondContact ND2-OE1 2.87Å; M278-Q315 WeakPolarHBondContact O-CG 3.34Å; M278-Q315 PolarHBondContact O-OE1 3.23Å; A279-Q315 HydrophobicContact CB-CB 4.18Å
316G98.8Very high97.6Very high0 Ų047 Ų470%025%0.253CS..  trans-81.1176.9172.300000113.3I277 E329I277-G316 VanDerWaalsContact O-CA 3.24Å; I277-G316 WeakPolarHBondContact O-CA 3.42Å; I277-G316 PolarHBondContact O-N 3.37Å; G316-E329 CarbonylContact C-O 3.54Å; G316-E329 WeakPolarHBondContact CA-O 3.42Å
317Y98.8Very high97.6Very high89 Ų8942.1 Ų42.135%0.34923%0.23SC..EExtended strand (participates in β ladder)trans-148.3161.5-173.455.1-90.4000111.2S319 W328 E329Y317-S319 PolarHBondContact O-N 3.3Å; Y317-W328 VanDerWaalsContact C-CE3 3.49Å; Y317-W328 CarbonylContact O-C 3.5Å; Y317-W328 VanDerWaalsContact O-CA 3.28Å; Y317-W328 WeakPolarHBondContact O-CA 3.44Å; Y317-E329 PolarHBondContact N-O 2.89Å; Y317-E329 PolarHBondContact O-N 2.92Å
318R98.6Very high97.6Very high48 Ų4842.1 Ų42.118%0.18123%0.23CC..EExtended strand (participates in β ladder)trans-79.3111.8172-168.1174.568.2-162.9-9.2108.9D232 A235 Q238 E326 V327 W328D232-R318 IonicContact OD1-NH1 3.86Å; D232-R318 PolarHBondContact OD1-NH1 3.31Å; A235-R318 HydrophobicContact CB-CB 4.04Å; Q238-R318 PolarHBondContact NE2-O 3.22Å; Q238-R318 VanDerWaalsContact NE2-O 3.15Å; Q238-R318 PolarHBondContact OE1-O 3.38Å; R318-E326 WeakPolarHBondContact CD-OE2 3.4Å; R318-E326 HydrophobicContact CG-CB 4.47Å; R318-E326 IonicContact CZ-OE1 3.17Å; R318-E326 IonicContact NH1-OE1 3.38Å; R318-E326 PolarHBondContact NH1-OE1 3.12Å; R318-E326 IonicContact NH1-OE2 3.41Å; R318-V327 CarbonylContact C-O 3.56Å; R318-W328 HydrophobicContact CB-CD2 3.7Å; R318-W328 HydrophobicContact CB-CE3 3.9Å; R318-W328 HydrophobicContact CB-CG 4.32Å; R318-W328 HydrophobicContact CB-CH2 4.03Å; R318-W328 HydrophobicContact CB-CZ2 3.81Å; R318-W328 HydrophobicContact CB-CZ3 4.06Å; R318-W328 HydrophobicContact CG-CD2 4.12Å; R318-W328 HydrophobicContact CG-CG 4.38Å; R318-W328 HydrophobicContact CG-CZ2 4.15Å; R318-W328 VanDerWaalsContact N-CE3 3.35Å
319S97.4Very high97.6Very high35 Ų3542.2 Ų42.225%0.24523%0.231CC..EExtended strand (participates in β ladder)trans-90.3-25.6-177.866.30000113.3Y317 V327 E329Y317-S319 PolarHBondContact O-N 3.3Å; S319-V327 PolarHBondContact N-O 3.08Å; S319-V327 PolarHBondContact OG-O 2.85Å; S319-E329 WeakPolarHBondContact CB-OE1 3.42Å; S319-E329 PolarHBondContact OG-OE1 2.99Å
320A96.9Very high97.6Very high41 Ų4140.7 Ų40.734%0.33922%0.223SC..EExtended strand (participates in β ladder)trans-152.1151.3176.600000112.5E326 V327A320-E326 WeakPolarHBondContact O-CA 3.47Å; A320-V327 HydrophobicContact CB-CB 4.17Å; A320-V327 HydrophobicContact CB-CG2 4.28Å; A320-V327 PolarHBondContact N-O 3.09Å; A320-V327 PolarHBondContact O-N 3.14Å
321K96.4Very high97.6Very high106 Ų10642.5 Ų42.546%0.46124%0.235SC..EExtended strand (participates in β ladder)trans-141.5127.8169.6180167.7-171.81500109.4D232 F325 E326D232-K321 IonicContact OD1-NZ 3.88Å; D232-K321 PolarHBondContact OD1-NZ 3.24Å; K321-F325 WeakPolarHBondContact CA-O 3.49Å; K321-E326 HydrophobicContact CB-CG 4.42Å; K321-E326 HydrophobicContact CD-CG 4.26Å; K321-E326 VanDerWaalsContact CD-OE1 3.26Å; K321-E326 WeakPolarHBondContact CD-OE1 3.34Å; K321-E326 WeakPolarHBondContact CE-OE1 3.28Å; K321-E326 HydrophobicContact CG-CG 4.1Å; K321-E326 IonicContact NZ-OE1 3.8Å; K321-E326 PolarHBondContact NZ-OE1 2.95Å
322G94.4Very high97.6Very high42 Ų4238.5 Ų38.543%0.43321%0.209SC..EExtended strand (participates in β ladder)trans170.8157.1179.900000113S324 F325G322-S324 PolarHBondContact O-N 3.22Å; G322-S324 VanDerWaalsContact O-N 3.15Å; G322-F325 PolarHBondContact N-O 3.28Å; G322-F325 PolarHBondContact O-N 3.47Å
323N91.5Very high97.6Very high142 Ų14236.6 Ų36.676%0.75920%0.202SC*.THydrogen-bonded Turntrans53.633.1179.2-61.7-29.4000114.9F325 R351N323-F325 VanDerWaalsContact C-N 3.28Å; N323-R351 PolarHBondContact O-NH1 3.49Å; N323-R351 PolarHBondContact O-NH2 2.92Å
324S94.8Very high97.4Very high51 Ų5145.5 Ų45.536%0.35724%0.24SC..THydrogen-bonded Turntrans64.425-172.6-390000114.6G322 N343 L344 R351G322-S324 PolarHBondContact O-N 3.22Å; G322-S324 VanDerWaalsContact O-N 3.15Å; S324-N343 PolarHBondContact O-OD1 3.47Å; S324-L344 WeakPolarHBondContact O-CB 3.28Å; S324-L344 PolarHBondContact O-N 2.84Å; S324-R351 PolarHBondContact OG-NH1 2.71Å
325F98.1Very high97.2Very high9 Ų946.4 Ų46.44%0.03925%0.25CS..EExtended strand (participates in β ladder)trans-119.6150.5170.2-73.1-78.3000111.3K321 G322 N323 V341 L342 N343 R351 F353 V393K321-F325 WeakPolarHBondContact CA-O 3.49Å; G322-F325 PolarHBondContact N-O 3.28Å; G322-F325 PolarHBondContact O-N 3.47Å; N323-F325 VanDerWaalsContact C-N 3.28Å; F325-V341 HydrophobicContact CD1-CG1 3.74Å; F325-V341 HydrophobicContact CE1-CG1 4.22Å; F325-L342 CarbonylContact C-O 3.46Å; F325-L342 VanDerWaalsContact CA-O 3.26Å; F325-L342 WeakPolarHBondContact CA-O 3.35Å; F325-L342 WeakPolarHBondContact CD1-O 3.26Å; F325-N343 HydrophobicContact CD1-CB 4.13Å; F325-N343 HydrophobicContact CE1-CB 3.78Å; F325-R351 HydrophobicContact CE2-CB 4.24Å; F325-R351 HydrophobicContact CZ-CB 3.68Å; F325-F353 HydrophobicContact CB-CD2 3.98Å; F325-F353 HydrophobicContact CB-CE2 4.12Å; F325-F353 HydrophobicContact CD1-CB 4.38Å; F325-F353 HydrophobicContact CD1-CD2 4.02Å; F325-F353 AromaticContact CD2-CD2 3.8Å; F325-F353 HydrophobicContact CD2-CD2 3.8Å; F325-F353 HydrophobicContact CE1-CB 4.01Å; F325-F353 HydrophobicContact CE1-CD2 4.43Å; F325-F353 HydrophobicContact CE2-CB 4.32Å; F325-F353 HydrophobicContact CE2-CD2 4.23Å; F325-F353 AromaticContact CG-CD2 3.67Å; F325-F353 HydrophobicContact CG-CD2 3.67Å; F325-F353 HydrophobicContact CG-CE2 4.31Å; F325-F353 HydrophobicContact CZ-CB 3.97Å; F325-V393 HydrophobicContact CE1-CB 3.99Å; F325-V393 HydrophobicContact CE1-CG2 4.06Å
326E98.2Very high97.1Very high2 Ų248.4 Ų48.41%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-117.8143.6158.7-55.8-165.8156.400109.8R318 A320 K321 W328 V341 L342 L344R318-E326 WeakPolarHBondContact CD-OE2 3.4Å; R318-E326 HydrophobicContact CG-CB 4.47Å; R318-E326 IonicContact CZ-OE1 3.17Å; R318-E326 IonicContact NH1-OE1 3.38Å; R318-E326 PolarHBondContact NH1-OE1 3.12Å; R318-E326 IonicContact NH1-OE2 3.41Å; A320-E326 WeakPolarHBondContact O-CA 3.47Å; K321-E326 HydrophobicContact CB-CG 4.42Å; K321-E326 HydrophobicContact CD-CG 4.26Å; K321-E326 VanDerWaalsContact CD-OE1 3.26Å; K321-E326 WeakPolarHBondContact CD-OE1 3.34Å; K321-E326 WeakPolarHBondContact CE-OE1 3.28Å; K321-E326 HydrophobicContact CG-CG 4.1Å; K321-E326 IonicContact NZ-OE1 3.8Å; K321-E326 PolarHBondContact NZ-OE1 2.95Å; E326-W328 PolarHBondContact OE2-NE1 3.15Å; E326-V341 CarbonylContact O-C 3.47Å; E326-V341 WeakPolarHBondContact O-CA 3.23Å; E326-L342 HydrophobicContact CB-CB 4.38Å; E326-L342 PolarHBondContact N-O 3Å; E326-L342 PolarHBondContact O-N 3.05Å; E326-L344 HydrophobicContact CG-CD1 3.64Å; E326-L344 HydrophobicContact CG-CD2 3.95Å; E326-L344 HydrophobicContact CG-CG 3.89Å
327V98.5Very high97.1Very high2 Ų249.1 Ų49.11%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-116.4125.8172.1-174.80000107.6R318 S319 A320 E329 V339 A340 V341 F353 V358R318-V327 CarbonylContact C-O 3.56Å; S319-V327 PolarHBondContact N-O 3.08Å; S319-V327 PolarHBondContact OG-O 2.85Å; A320-V327 HydrophobicContact CB-CB 4.17Å; A320-V327 HydrophobicContact CB-CG2 4.28Å; A320-V327 PolarHBondContact N-O 3.09Å; A320-V327 PolarHBondContact O-N 3.14Å; V327-E329 HydrophobicContact CG1-CG 4.26Å; V327-V339 HydrophobicContact CG1-CG1 3.91Å; V327-A340 WeakPolarHBondContact CA-O 3.32Å; V327-V341 HydrophobicContact CG2-CG2 4.49Å; V327-F353 HydrophobicContact CG2-CE1 4.13Å; V327-F353 HydrophobicContact CG2-CE2 3.9Å; V327-F353 HydrophobicContact CG2-CZ 3.41Å; V327-F353 VanDerWaalsContact CG2-CZ 3.41Å; V327-V358 HydrophobicContact CG1-CB 4.46Å; V327-V358 HydrophobicContact CG1-CG1 4.15Å; V327-V358 HydrophobicContact CG1-CG2 3.99Å
328W98.8Very high97.1Very high1 Ų144.9 Ų44.90%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-120.4140.8176.1-63.872.4000109.8L231 T234 A235 L274 I277 M278 Y317 R318 E326 V339 A340L231-W328 HydrophobicContact CB-CZ2 4.41Å; T234-W328 HydrophobicContact CG2-CH2 4.44Å; T234-W328 HydrophobicContact CG2-CZ3 4.43Å; A235-W328 HydrophobicContact CB-CH2 3.67Å; A235-W328 HydrophobicContact CB-CZ2 3.88Å; L274-W328 HydrophobicContact CD2-CB 4Å; L274-W328 HydrophobicContact CD2-CD2 4.03Å; L274-W328 HydrophobicContact CD2-CG 3.67Å; I277-W328 HydrophobicContact CG2-CB 3.84Å; I277-W328 HydrophobicContact CG2-CE3 4.49Å; M278-W328 HydrophobicContact CG-CZ3 4.42Å; Y317-W328 VanDerWaalsContact C-CE3 3.49Å; Y317-W328 CarbonylContact O-C 3.5Å; Y317-W328 VanDerWaalsContact O-CA 3.28Å; Y317-W328 WeakPolarHBondContact O-CA 3.44Å; R318-W328 HydrophobicContact CB-CD2 3.7Å; R318-W328 HydrophobicContact CB-CE3 3.9Å; R318-W328 HydrophobicContact CB-CG 4.32Å; R318-W328 HydrophobicContact CB-CH2 4.03Å; R318-W328 HydrophobicContact CB-CZ2 3.81Å; R318-W328 HydrophobicContact CB-CZ3 4.06Å; R318-W328 HydrophobicContact CG-CD2 4.12Å; R318-W328 HydrophobicContact CG-CG 4.38Å; R318-W328 HydrophobicContact CG-CZ2 4.15Å; R318-W328 VanDerWaalsContact N-CE3 3.35Å; E326-W328 PolarHBondContact OE2-NE1 3.15Å; W328-V339 CarbonylContact O-C 3.58Å; W328-V339 WeakPolarHBondContact O-CA 3.46Å; W328-A340 HydrophobicContact CB-CB 4.33Å; W328-A340 PolarHBondContact N-O 3.48Å; W328-A340 PolarHBondContact O-N 3.27Å
329E98.6Very high97.1Very high2 Ų242.6 Ų42.61%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-133.3133.8-172.5-64.8-176.2-12900110.2G316 Y317 S319 V327 L337 A338 V339 V358 A359 G360G316-E329 CarbonylContact C-O 3.54Å; G316-E329 WeakPolarHBondContact CA-O 3.42Å; Y317-E329 PolarHBondContact N-O 2.89Å; Y317-E329 PolarHBondContact O-N 2.92Å; S319-E329 WeakPolarHBondContact CB-OE1 3.42Å; S319-E329 PolarHBondContact OG-OE1 2.99Å; V327-E329 HydrophobicContact CG1-CG 4.26Å; E329-L337 HydrophobicContact CB-CD1 4.25Å; E329-A338 CarbonylContact C-O 3.52Å; E329-A338 WeakPolarHBondContact CA-O 3.22Å; E329-V339 HydrophobicContact CG-CG1 4.42Å; E329-V339 HydrophobicContact CG-CG2 4.38Å; E329-V358 HydrophobicContact CG-CG1 4.2Å; E329-V358 WeakPolarHBondContact OE1-CG1 3.23Å; E329-A359 PolarHBondContact OE1-N 2.79Å; E329-G360 PolarHBondContact OE1-N 3.11Å; E329-G360 WeakPolarHBondContact OE2-CA 3.19Å; E329-G360 PolarHBondContact OE2-N 2.74Å
330R98.8Very high97.1Very high0 Ų041 Ų410%023%0.225CC..EExtended strand (participates in β ladder)trans-122.8116.8174-174.2-180176.8178.4-11.5110.1A276 I277 A279 I307 S308 K314 L332 A338A276-R330 WeakPolarHBondContact O-CD 3.4Å; A276-R330 PolarHBondContact O-NH1 3.1Å; I277-R330 HydrophobicContact CD1-CB 3.79Å; I277-R330 HydrophobicContact CG2-CB 4.22Å; I277-R330 WeakPolarHBondContact O-CD 3.48Å; A279-R330 VanDerWaalsContact CA-NH1 3.34Å; A279-R330 VanDerWaalsContact CB-CZ 3.45Å; I307-R330 PolarHBondContact O-NH1 2.68Å; I307-R330 PolarHBondContact O-NH2 2.96Å; S308-R330 VanDerWaalsContact CA-NH1 3.28Å; S308-R330 PolarHBondContact O-NH1 2.69Å; S308-R330 PolarHBondContact O-NH2 2.7Å; K314-R330 WeakPolarHBondContact O-CG 3.28Å; K314-R330 PolarHBondContact O-NE 3.13Å; R330-L332 HydrophobicContact CB-CD2 4.44Å; R330-L332 HydrophobicContact CG-CD2 3.87Å; R330-L332 PolarHBondContact O-N 2.95Å; R330-A338 HydrophobicContact CB-CB 4.35Å; R330-A338 PolarHBondContact N-O 2.84Å; R330-A338 PolarHBondContact O-N 3.05Å
331P98.3Very high97.2Very high42 Ų4239 Ų3927%0.27321%0.208SC..EExtended strand (participates in β ladder)trans-63.5133.1167.7-18.931.9000110.3L312L312-P331 HydrophobicContact CD2-CB 4.27Å
332L98.6Very high97.3Very high2 Ų234 Ų341%0.0119%0.187CC..  trans-119.6164.3180-57.7-178.5000110.3I307 D310 R330 R336 A338 T402I307-L332 HydrophobicContact CG1-CD1 4.31Å; I307-L332 HydrophobicContact CG2-CD2 4.22Å; D310-L332 HydrophobicContact CB-CD2 3.74Å; R330-L332 HydrophobicContact CB-CD2 4.44Å; R330-L332 HydrophobicContact CG-CD2 3.87Å; R330-L332 PolarHBondContact O-N 2.95Å; L332-R336 HydrophobicContact CB-CB 3.83Å; L332-R336 HydrophobicContact CD1-CB 4.4Å; L332-R336 PolarHBondContact N-O 3.13Å; L332-R336 PolarHBondContact O-N 3.18Å; L332-A338 HydrophobicContact CD1-CB 3.9Å; L332-A338 HydrophobicContact CG-CB 4.35Å; L332-T402 HydrophobicContact CD1-CG2 4.49Å
333S97.7Very high97.5Very high27 Ų2732 Ų3219%0.18917%0.166CC..G310 helixtrans-52.8153.5174.864.80000112.4D310 N335 R336D310-S333 VanDerWaalsContact CG-N 3.29Å; D310-S333 WeakPolarHBondContact OD1-CB 3.36Å; D310-S333 PolarHBondContact OD1-N 3.28Å; D310-S333 WeakPolarHBondContact OD2-CB 3.22Å; D310-S333 PolarHBondContact OD2-N 2.92Å; D310-S333 PolarHBondContact OD2-OG 2.82Å; S333-N335 VanDerWaalsContact C-N 3.25Å; S333-N335 PolarHBondContact O-N 2.88Å; S333-R336 WeakPolarHBondContact O-CG 3.35Å; S333-R336 PolarHBondContact O-N 2.95Å
334K95.1Very high97.8Very high188 Ų18827.6 Ų27.682%0.81714%0.142SC*.G310 helixtrans58.134.8-176.7-51.9177.9-178.3177.20113.4R336K334-R336 PolarHBondContact O-N 3.07Å; K334-R336 VanDerWaalsContact O-N 3.12Å
335N94.3Very high97.9Very high137 Ų13727.9 Ų27.973%0.73314%0.138SC*.G310 helixtrans57.621.9-179.2-58.3-31.4000114.1S333 P405S333-N335 VanDerWaalsContact C-N 3.25Å; S333-N335 PolarHBondContact O-N 2.88Å; N335-P405 HydrophobicContact CB-CG 4.1Å; N335-P405 VanDerWaalsContact O-CD 3.26Å; N335-P405 WeakPolarHBondContact O-CD 3.46Å; N335-P405 VanDerWaalsContact O-CG 3.23Å; N335-P405 WeakPolarHBondContact O-CG 3.36Å
336R97.1Very high97.9Very high51 Ų5132.7 Ų32.719%0.19216%0.161CC..  trans-73.5164.3172.2-62.9-166-45.71505.7110.3D310 L332 S333 K334 V403 T404D310-R336 IonicContact OD2-NH2 2.75Å; L332-R336 HydrophobicContact CB-CB 3.83Å; L332-R336 HydrophobicContact CD1-CB 4.4Å; L332-R336 PolarHBondContact N-O 3.13Å; L332-R336 PolarHBondContact O-N 3.18Å; S333-R336 WeakPolarHBondContact O-CG 3.35Å; S333-R336 PolarHBondContact O-N 2.95Å; K334-R336 PolarHBondContact O-N 3.07Å; K334-R336 VanDerWaalsContact O-N 3.12Å; R336-V403 CarbonylContact C-O 3.57Å; R336-V403 VanDerWaalsContact CA-O 3.31Å; R336-V403 WeakPolarHBondContact CA-O 3.48Å; R336-T404 WeakPolarHBondContact CD-OG1 3.3Å; R336-T404 HydrophobicContact CG-CG2 4.01Å
337L98.1Very high97.8Very high15 Ų1538.6 Ų38.68%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-133.4135.4176.9-174.370.9000109.3E329 V339 V363 T402 V403E329-L337 HydrophobicContact CB-CD1 4.25Å; L337-V339 HydrophobicContact CD2-CG2 3.62Å; L337-V339 HydrophobicContact CG-CG2 3.85Å; L337-V363 HydrophobicContact CD2-CG1 4.29Å; L337-T402 CarbonylContact O-C 3.6Å; L337-T402 WeakPolarHBondContact O-CA 3.49Å; L337-V403 HydrophobicContact CB-CB 4.24Å; L337-V403 PolarHBondContact N-O 3.45Å; L337-V403 PolarHBondContact O-N 2.96Å
338A98.7Very high97.6Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-100.2139.3159.500000109.6I277 I307 E329 R330 L332 L401I277-A338 HydrophobicContact CD1-CB 3.61Å; I307-A338 HydrophobicContact CD1-CB 4.04Å; I307-A338 HydrophobicContact CG1-CB 4.21Å; I307-A338 HydrophobicContact CG2-CB 3.75Å; E329-A338 CarbonylContact C-O 3.52Å; E329-A338 WeakPolarHBondContact CA-O 3.22Å; R330-A338 HydrophobicContact CB-CB 4.35Å; R330-A338 PolarHBondContact N-O 2.84Å; R330-A338 PolarHBondContact O-N 3.05Å; L332-A338 HydrophobicContact CD1-CB 3.9Å; L332-A338 HydrophobicContact CG-CB 4.35Å; A338-L401 CarbonylContact C-O 3.44Å; A338-L401 VanDerWaalsContact CA-O 3.32Å; A338-L401 WeakPolarHBondContact CA-O 3.43Å
339V98.6Very high97.5Very high0 Ų043.6 Ų43.60%024%0.244CC..EExtended strand (participates in β ladder)trans-128.7127.4177.9-175.30000108.5V327 W328 E329 L337 V341 V358 L400 L401 V403V327-V339 HydrophobicContact CG1-CG1 3.91Å; W328-V339 CarbonylContact O-C 3.58Å; W328-V339 WeakPolarHBondContact O-CA 3.46Å; E329-V339 HydrophobicContact CG-CG1 4.42Å; E329-V339 HydrophobicContact CG-CG2 4.38Å; L337-V339 HydrophobicContact CD2-CG2 3.62Å; L337-V339 HydrophobicContact CG-CG2 3.85Å; V339-V341 HydrophobicContact CG1-CG2 4.23Å; V339-V358 HydrophobicContact CG1-CG1 3.83Å; V339-V358 HydrophobicContact CG1-CG2 3.99Å; V339-V358 HydrophobicContact CG2-CG1 3.99Å; V339-L400 WeakPolarHBondContact O-CA 3.12Å; V339-L401 HydrophobicContact CB-CD1 3.8Å; V339-L401 HydrophobicContact CB-CD2 4.44Å; V339-L401 HydrophobicContact CB-CG 3.92Å; V339-L401 HydrophobicContact CG2-CD1 4Å; V339-L401 PolarHBondContact N-O 3.46Å; V339-L401 PolarHBondContact O-N 3.47Å; V339-V403 HydrophobicContact CG2-CG2 4.49Å
340A98.8Very high97.4Very high0 Ų047 Ų470%027%0.266CS..EExtended strand (participates in β ladder)trans-112.3125.9170.900000109.5L274 I277 V327 W328 T398 A399 L400L274-A340 HydrophobicContact CD2-CB 3.96Å; I277-A340 HydrophobicContact CD1-CB 4.34Å; I277-A340 HydrophobicContact CG1-CB 3.79Å; V327-A340 WeakPolarHBondContact CA-O 3.32Å; W328-A340 HydrophobicContact CB-CB 4.33Å; W328-A340 PolarHBondContact N-O 3.48Å; W328-A340 PolarHBondContact O-N 3.27Å; A340-T398 HydrophobicContact CB-CG2 3.78Å; A340-A399 WeakPolarHBondContact CA-O 3.41Å; A340-L400 HydrophobicContact CB-CD1 4.06Å
341V98.6Very high97.3Very high0 Ų050.8 Ų50.80%028%0.28CS..EExtended strand (participates in β ladder)trans-111.4105.9174.6-178.40000108.4F325 E326 V327 V339 F353 L391 V393 T398 A399F325-V341 HydrophobicContact CD1-CG1 3.74Å; F325-V341 HydrophobicContact CE1-CG1 4.22Å; E326-V341 CarbonylContact O-C 3.47Å; E326-V341 WeakPolarHBondContact O-CA 3.23Å; V327-V341 HydrophobicContact CG2-CG2 4.49Å; V339-V341 HydrophobicContact CG1-CG2 4.23Å; V341-F353 HydrophobicContact CG1-CB 3.96Å; V341-F353 HydrophobicContact CG1-CD1 3.78Å; V341-F353 HydrophobicContact CG1-CD2 3.91Å; V341-F353 HydrophobicContact CG1-CE1 4.27Å; V341-F353 HydrophobicContact CG1-CE2 4.38Å; V341-F353 HydrophobicContact CG1-CG 3.59Å; V341-F353 HydrophobicContact CG2-CD1 3.98Å; V341-F353 HydrophobicContact CG2-CE1 4.04Å; V341-L391 HydrophobicContact CB-CD1 4.36Å; V341-L391 HydrophobicContact CG2-CD1 3.9Å; V341-V393 HydrophobicContact CG1-CG2 4.19Å; V341-V393 WeakPolarHBondContact O-CG1 3.17Å; V341-T398 WeakPolarHBondContact O-CA 3.37Å; V341-A399 PolarHBondContact N-O 2.91Å; V341-A399 PolarHBondContact O-N 3.34Å
342L98.7Very high97.2Very high2 Ų251.1 Ų51.11%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-93.3130179.6171.465.6000109.8W224 L231 L274 F325 E326 L344 T398W224-L342 HydrophobicContact CH2-CD1 3.98Å; W224-L342 HydrophobicContact CZ2-CD1 4.27Å; L231-L342 HydrophobicContact CD1-CD2 4.34Å; L274-L342 HydrophobicContact CD1-CD2 4.04Å; F325-L342 CarbonylContact C-O 3.46Å; F325-L342 VanDerWaalsContact CA-O 3.26Å; F325-L342 WeakPolarHBondContact CA-O 3.35Å; F325-L342 WeakPolarHBondContact CD1-O 3.26Å; E326-L342 HydrophobicContact CB-CB 4.38Å; E326-L342 PolarHBondContact N-O 3Å; E326-L342 PolarHBondContact O-N 3.05Å; L342-L344 HydrophobicContact CD2-CD2 3.67Å; L342-L344 HydrophobicContact CG-CD2 4.07Å; L342-T398 WeakPolarHBondContact CD1-OG1 3.12Å
343N98.6Very high97.1Very high0 Ų052.3 Ų52.30%030%0.297CS..EExtended strand (participates in β ladder)trans-92111.4170.2-179.34.6000110.2S324 F325 Q345 V393 N394 S396 G397S324-N343 PolarHBondContact O-OD1 3.47Å; F325-N343 HydrophobicContact CD1-CB 4.13Å; F325-N343 HydrophobicContact CE1-CB 3.78Å; N343-Q345 VanDerWaalsContact C-N 3.26Å; N343-Q345 PolarHBondContact O-N 2.9Å; N343-Q345 VanDerWaalsContact OD1-CB 3.25Å; N343-Q345 WeakPolarHBondContact OD1-CB 3.49Å; N343-Q345 PolarHBondContact OD1-N 3.34Å; N343-V393 HydrophobicContact CB-CB 4.06Å; N343-V393 HydrophobicContact CB-CG1 3.68Å; N343-V393 PolarHBondContact ND2-O 2.86Å; N343-N394 VanDerWaalsContact CB-O 3.31Å; N343-N394 WeakPolarHBondContact CB-O 3.39Å; N343-N394 PolarHBondContact ND2-O 2.74Å; N343-S396 VanDerWaalsContact O-CA 3.3Å; N343-S396 WeakPolarHBondContact O-CA 3.21Å; N343-S396 PolarHBondContact O-N 3.36Å; N343-G397 PolarHBondContact N-O 2.87Å
344L97.8Very high96.9Very high49 Ų4953.4 Ų53.426%0.25731%0.307SS..  trans-76.9-9.8179.6-61.7179.2000113.6S324 E326 L342S324-L344 WeakPolarHBondContact O-CB 3.28Å; S324-L344 PolarHBondContact O-N 2.84Å; E326-L344 HydrophobicContact CG-CD1 3.64Å; E326-L344 HydrophobicContact CG-CD2 3.95Å; E326-L344 HydrophobicContact CG-CG 3.89Å; L342-L344 HydrophobicContact CD2-CD2 3.67Å; L342-L344 HydrophobicContact CG-CD2 4.07Å
345Q96.8Very high96.6Very high56 Ų5644.6 Ų44.626%0.26227%0.269SS..  trans-74.3139178.4-167.4167.11.200110.3N343 I347 P395 S396N343-Q345 VanDerWaalsContact C-N 3.26Å; N343-Q345 PolarHBondContact O-N 2.9Å; N343-Q345 VanDerWaalsContact OD1-CB 3.25Å; N343-Q345 WeakPolarHBondContact OD1-CB 3.49Å; N343-Q345 PolarHBondContact OD1-N 3.34Å; Q345-I347 HydrophobicContact CG-CG2 3.74Å; Q345-I347 WeakPolarHBondContact CG-O 3.44Å; Q345-I347 VanDerWaalsContact NE2-CG2 3.26Å; Q345-I347 PolarHBondContact NE2-O 2.86Å; Q345-P395 CarbonylContact O-C 3.58Å; Q345-P395 WeakPolarHBondContact O-CA 3.32Å; Q345-P395 WeakPolarHBondContact O-CB 3.17Å; Q345-S396 PolarHBondContact O-N 3.09Å
346E96.5Very high96Very high111 Ų11142.4 Ų42.452%0.51926%0.264SS..  trans-116.723.8-179.2-63.8179.8-167.800111.8W224 K228W224-E346 VanDerWaalsContact CD1-OE1 3.27Å; W224-E346 PolarHBondContact NE1-OE1 3.33Å; K228-E346 IonicContact NZ-OE1 3.14Å; K228-E346 PolarHBondContact NZ-OE1 3.39Å; K228-E346 IonicContact NZ-OE2 3.86Å
347I96.4Very high95.1Very high125 Ų12542.1 Ų42.164%0.64128%0.278SS*.SBendtrans-142.3145.7179.2-170.1172.6000110.5Q345Q345-I347 HydrophobicContact CG-CG2 3.74Å; Q345-I347 WeakPolarHBondContact CG-O 3.44Å; Q345-I347 VanDerWaalsContact NE2-CG2 3.26Å; Q345-I347 PolarHBondContact NE2-O 2.86Å
348G95.9Very high94.6Very high66 Ų6641.7 Ų41.768%0.6828%0.276SS*.SBendtrans86-154.2177.700000113.4P395G348-P395 WeakPolarHBondContact O-CG 3.46Å
349G95.3Very high94.1Very high43 Ų4344.3 Ų44.344%0.44330%0.297SS..SBendtrans-112.4-173.6-179.600000113.3R351G349-R351 PolarHBondContact O-N 2.84Å
350P96.1Very high93.7Very high74 Ų7445.3 Ų45.348%0.48131%0.307SS..  trans-55.2136.7-179.24.9-14.1000113.2K392 V393 N394P350-K392 HydrophobicContact CB-CB 4.32Å; P350-V393 CarbonylContact C-O 3.35Å; P350-V393 VanDerWaalsContact CA-O 3.29Å; P350-V393 WeakPolarHBondContact CA-O 3.49Å; P350-N394 WeakPolarHBondContact CB-OD1 3.49Å; P350-N394 VanDerWaalsContact CG-OD1 3.28Å; P350-N394 WeakPolarHBondContact CG-OD1 3.4Å
351R96.6Very high93.4Very high78 Ų7845.8 Ų45.829%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-107.9143.8179-73.9-175.260-159-10.6111.6N323 S324 F325 G349 K392 V393N323-R351 PolarHBondContact O-NH1 3.49Å; N323-R351 PolarHBondContact O-NH2 2.92Å; S324-R351 PolarHBondContact OG-NH1 2.71Å; F325-R351 HydrophobicContact CE2-CB 4.24Å; F325-R351 HydrophobicContact CZ-CB 3.68Å; G349-R351 PolarHBondContact O-N 2.84Å; R351-K392 WeakPolarHBondContact O-CA 3Å; R351-V393 PolarHBondContact N-O 2.96Å; R351-V393 PolarHBondContact O-N 3.08Å
352G96.3Very high93Very high50 Ų5053.6 Ų53.652%0.51534%0.343SS..EExtended strand (participates in β ladder)trans-77.6129.6175.600000111.8L391G352-L391 CarbonylContact C-O 3.59Å; G352-L391 VanDerWaalsContact CA-O 3.28Å; G352-L391 WeakPolarHBondContact CA-O 3.35Å
353F96.4Very high92.7Very high27 Ų2755.1 Ų55.112%0.11835%0.352CS..EExtended strand (participates in β ladder)trans-118.8126.7170-178.3-89.3000110.1F325 V327 V341 V358 I390 L391F325-F353 HydrophobicContact CB-CD2 3.98Å; F325-F353 HydrophobicContact CB-CE2 4.12Å; F325-F353 HydrophobicContact CD1-CB 4.38Å; F325-F353 HydrophobicContact CD1-CD2 4.02Å; F325-F353 AromaticContact CD2-CD2 3.8Å; F325-F353 HydrophobicContact CD2-CD2 3.8Å; F325-F353 HydrophobicContact CE1-CB 4.01Å; F325-F353 HydrophobicContact CE1-CD2 4.43Å; F325-F353 HydrophobicContact CE2-CB 4.32Å; F325-F353 HydrophobicContact CE2-CD2 4.23Å; F325-F353 AromaticContact CG-CD2 3.67Å; F325-F353 HydrophobicContact CG-CD2 3.67Å; F325-F353 HydrophobicContact CG-CE2 4.31Å; F325-F353 HydrophobicContact CZ-CB 3.97Å; V327-F353 HydrophobicContact CG2-CE1 4.13Å; V327-F353 HydrophobicContact CG2-CE2 3.9Å; V327-F353 HydrophobicContact CG2-CZ 3.41Å; V327-F353 VanDerWaalsContact CG2-CZ 3.41Å; V341-F353 HydrophobicContact CG1-CB 3.96Å; V341-F353 HydrophobicContact CG1-CD1 3.78Å; V341-F353 HydrophobicContact CG1-CD2 3.91Å; V341-F353 HydrophobicContact CG1-CE1 4.27Å; V341-F353 HydrophobicContact CG1-CE2 4.38Å; V341-F353 HydrophobicContact CG1-CG 3.59Å; V341-F353 HydrophobicContact CG2-CD1 3.98Å; V341-F353 HydrophobicContact CG2-CE1 4.04Å; F353-V358 HydrophobicContact CE1-CG2 3.94Å; F353-I390 CarbonylContact O-C 3.58Å; F353-I390 WeakPolarHBondContact O-CA 3Å; F353-L391 PolarHBondContact N-O 2.88Å; F353-L391 PolarHBondContact O-N 2.76Å
354A94.1Very high92.4Very high50 Ų5055.1 Ų55.141%0.41335%0.352SS..EExtended strand (participates in β ladder)trans-84.7123.8179.500000111.1S356 G357 L389A354-S356 PolarHBondContact O-N 2.82Å; A354-S356 VanDerWaalsContact O-N 3.12Å; A354-G357 PolarHBondContact O-N 2.99Å; A354-L389 WeakPolarHBondContact CA-O 3.39Å
355I88.4Confident92Very high2 Ų257.1 Ų57.11%0.0136%0.363CS..G310 helixtrans-63.9-22.2-174.1-155.369000113.8G357 V358 W361 L389 L391 L401I355-G357 PolarHBondContact O-N 2.87Å; I355-V358 HydrophobicContact CD1-CG2 3.64Å; I355-V358 HydrophobicContact CG1-CG2 4.13Å; I355-V358 WeakPolarHBondContact O-CB 3.11Å; I355-V358 WeakPolarHBondContact O-CG2 3.47Å; I355-V358 PolarHBondContact O-N 2.78Å; I355-W361 HydrophobicContact CB-CH2 4.49Å; I355-W361 HydrophobicContact CD1-CE3 4.24Å; I355-W361 HydrophobicContact CD1-CZ3 4.02Å; I355-W361 HydrophobicContact CG1-CD2 3.8Å; I355-W361 HydrophobicContact CG1-CE3 3.41Å; I355-W361 VanDerWaalsContact CG1-CE3 3.41Å; I355-W361 HydrophobicContact CG1-CH2 3.64Å; I355-W361 HydrophobicContact CG1-CZ2 4.04Å; I355-W361 HydrophobicContact CG1-CZ3 3.34Å; I355-W361 HydrophobicContact CG2-CD2 4.12Å; I355-W361 HydrophobicContact CG2-CH2 4.1Å; I355-W361 HydrophobicContact CG2-CZ2 3.69Å; I355-L389 HydrophobicContact CB-CB 4.1Å; I355-L389 HydrophobicContact CG2-CB 3.7Å; I355-L389 HydrophobicContact CG2-CD1 4.26Å; I355-L389 HydrophobicContact CG2-CG 4.2Å; I355-L389 PolarHBondContact N-O 2.87Å; I355-L391 HydrophobicContact CD1-CD1 3.91Å; I355-L391 HydrophobicContact CD1-CG 4.49Å; I355-L401 HydrophobicContact CD1-CD2 3.92Å
356S82.1Confident91.8Very high91 Ų9157.5 Ų57.564%0.63637%0.37SS*.G310 helixtrans-59.4-14.9173.957.10000113.2A354 V358A354-S356 PolarHBondContact O-N 2.82Å; A354-S356 VanDerWaalsContact O-N 3.12Å; S356-V358 VanDerWaalsContact C-N 3.34Å
357G77.8Confident91.8Very high46 Ų4656.2 Ų56.247%0.47437%0.365SS..G310 helixtrans-80.4-5.3172.200000115A354 I355A354-G357 PolarHBondContact O-N 2.99Å; I355-G357 PolarHBondContact O-N 2.87Å
358V88.1Confident91.8Very high6 Ų650.3 Ų50.34%0.03633%0.334CS..  trans-84.6124.5179-179.60000110V327 E329 V339 F353 I355 S356 G360 W361V327-V358 HydrophobicContact CG1-CB 4.46Å; V327-V358 HydrophobicContact CG1-CG1 4.15Å; V327-V358 HydrophobicContact CG1-CG2 3.99Å; E329-V358 HydrophobicContact CG-CG1 4.2Å; E329-V358 WeakPolarHBondContact OE1-CG1 3.23Å; V339-V358 HydrophobicContact CG1-CG1 3.83Å; V339-V358 HydrophobicContact CG1-CG2 3.99Å; V339-V358 HydrophobicContact CG2-CG1 3.99Å; F353-V358 HydrophobicContact CE1-CG2 3.94Å; I355-V358 HydrophobicContact CD1-CG2 3.64Å; I355-V358 HydrophobicContact CG1-CG2 4.13Å; I355-V358 WeakPolarHBondContact O-CB 3.11Å; I355-V358 WeakPolarHBondContact O-CG2 3.47Å; I355-V358 PolarHBondContact O-N 2.78Å; S356-V358 VanDerWaalsContact C-N 3.34Å; V358-G360 PolarHBondContact O-N 2.84Å; V358-W361 HydrophobicContact CB-CB 4.3Å; V358-W361 VanDerWaalsContact O-CB 3.31Å; V358-W361 WeakPolarHBondContact O-CB 3.37Å; V358-W361 PolarHBondContact O-N 3.28Å
359A89.4Confident91.8Very high55 Ų5549.9 Ų49.946%0.45532%0.317SS..G310 helixtrans-64.6-38.9-174.700000112.2E329 W361 K362E329-A359 PolarHBondContact OE1-N 2.79Å; A359-W361 VanDerWaalsContact C-N 3.28Å; A359-W361 PolarHBondContact O-N 3.17Å; A359-K362 WeakPolarHBondContact O-CE 3.16Å; A359-K362 WeakPolarHBondContact O-CG 3.4Å
360G89.8Confident91.9Very high20 Ų2047.9 Ų47.921%0.20630%0.296CS..G310 helixtrans-77.4-1.217800000115.7E329 V358 K362 V363E329-G360 PolarHBondContact OE1-N 3.11Å; E329-G360 WeakPolarHBondContact OE2-CA 3.19Å; E329-G360 PolarHBondContact OE2-N 2.74Å; V358-G360 PolarHBondContact O-N 2.84Å; G360-K362 PolarHBondContact O-N 2.85Å; G360-V363 VanDerWaalsContact O-CG1 3.32Å; G360-V363 WeakPolarHBondContact O-CG1 3.33Å; G360-V363 PolarHBondContact O-N 2.68Å
361W92.6Very high92Very high10 Ų1045.3 Ų45.34%0.03828%0.279CS..G310 helixtrans-59.1-15.1-179.6-163.2-109.7000114.1I355 V358 A359 V363 C364 V370 Q383 T384 L389 L401 V403I355-W361 HydrophobicContact CB-CH2 4.49Å; I355-W361 HydrophobicContact CD1-CE3 4.24Å; I355-W361 HydrophobicContact CD1-CZ3 4.02Å; I355-W361 HydrophobicContact CG1-CD2 3.8Å; I355-W361 HydrophobicContact CG1-CE3 3.41Å; I355-W361 VanDerWaalsContact CG1-CE3 3.41Å; I355-W361 HydrophobicContact CG1-CH2 3.64Å; I355-W361 HydrophobicContact CG1-CZ2 4.04Å; I355-W361 HydrophobicContact CG1-CZ3 3.34Å; I355-W361 HydrophobicContact CG2-CD2 4.12Å; I355-W361 HydrophobicContact CG2-CH2 4.1Å; I355-W361 HydrophobicContact CG2-CZ2 3.69Å; V358-W361 HydrophobicContact CB-CB 4.3Å; V358-W361 VanDerWaalsContact O-CB 3.31Å; V358-W361 WeakPolarHBondContact O-CB 3.37Å; V358-W361 PolarHBondContact O-N 3.28Å; A359-W361 VanDerWaalsContact C-N 3.28Å; A359-W361 PolarHBondContact O-N 3.17Å; W361-V363 PolarHBondContact O-N 2.87Å; W361-C364 WeakPolarHBondContact O-CB 3.21Å; W361-C364 PolarHBondContact O-N 3.05Å; W361-V370 HydrophobicContact CH2-CG1 4.31Å; W361-V370 HydrophobicContact CH2-CG2 3.64Å; W361-V370 HydrophobicContact CZ2-CG2 4.44Å; W361-V370 HydrophobicContact CZ3-CG2 4.24Å; W361-Q383 HydrophobicContact CZ2-CB 4.09Å; W361-T384 PolarHBondContact NE1-O 3.1Å; W361-L389 HydrophobicContact CH2-CD1 3.81Å; W361-L389 HydrophobicContact CZ2-CD1 3.91Å; W361-L401 HydrophobicContact CZ3-CD1 4.35Å; W361-V403 HydrophobicContact CE3-CG2 4.35Å; W361-V403 HydrophobicContact CZ3-CG2 3.81Å
362K90.3Very high92.1Very high165 Ų16542.8 Ų42.872%0.71727%0.271SS*.G310 helixtrans-52.6-23.9171.1-40.9179.3-167.5179.90113.1A359 G360 C364 D365A359-K362 WeakPolarHBondContact O-CE 3.16Å; A359-K362 WeakPolarHBondContact O-CG 3.4Å; G360-K362 PolarHBondContact O-N 2.85Å; K362-C364 PolarHBondContact O-N 2.83Å; K362-C364 VanDerWaalsContact O-N 3.1Å; K362-D365 WeakPolarHBondContact O-CB 3.26Å; K362-D365 PolarHBondContact O-N 2.76Å
363V90.9Very high92.2Very high33 Ų3340.7 Ų40.720%0.225%0.248CC..G310 helixtrans-58.2-18.6173.572.10000113L337 G360 W361 D365 V403 P405L337-V363 HydrophobicContact CD2-CG1 4.29Å; G360-V363 VanDerWaalsContact O-CG1 3.32Å; G360-V363 WeakPolarHBondContact O-CG1 3.33Å; G360-V363 PolarHBondContact O-N 2.68Å; W361-V363 PolarHBondContact O-N 2.87Å; V363-D365 VanDerWaalsContact C-N 3.28Å; V363-D365 PolarHBondContact O-N 2.67Å; V363-V403 HydrophobicContact CG1-CB 4.06Å; V363-V403 HydrophobicContact CG1-CG1 3.41Å; V363-V403 VanDerWaalsContact CG1-CG1 3.41Å; V363-P405 HydrophobicContact CG2-CB 3.83Å; V363-P405 HydrophobicContact CG2-CG 3.57Å
364C92.2Very high92.3Very high0 Ų039.8 Ų39.80%024%0.244CC..G310 helixtrans-87.917.8174.6-59.60000114.1W361 K362 P366 Q367 C368 T384 K385 V403W361-C364 WeakPolarHBondContact O-CB 3.21Å; W361-C364 PolarHBondContact O-N 3.05Å; K362-C364 PolarHBondContact O-N 2.83Å; K362-C364 VanDerWaalsContact O-N 3.1Å; C364-P366 CarbonylContact O-C 3.56Å; C364-P366 VanDerWaalsContact O-O 3.04Å; C364-Q367 PolarHBondContact O-N 2.79Å; C364-C368 HydrophobicContact CB-CB 3.8Å; C364-C368 WeakPolarHBondContact CB-SG 3.24Å; C364-C368 WeakPolarHBondContact SG-CB 3.48Å; C364-C368 CovalentContact SG-SG 2.02Å; C364-C368 PolarHBondContact SG-SG 2.98Å; C364-T384 CarbonylContact O-C 3.44Å; C364-T384 WeakPolarHBondContact O-CA 3.46Å; C364-K385 PolarHBondContact O-N 2.95Å; C364-K385 VanDerWaalsContact O-N 3.16Å; C364-V403 WeakPolarHBondContact SG-CG1 3.38Å
365D90.9Very high92.3Very high92 Ų9240 Ų4049%0.49224%0.241SC..SBendtrans-102.4113.6170.1-163.4-7.4000110.4K362 V363 K385K362-D365 WeakPolarHBondContact O-CB 3.26Å; K362-D365 PolarHBondContact O-N 2.76Å; V363-D365 VanDerWaalsContact C-N 3.28Å; V363-D365 PolarHBondContact O-N 2.67Å; D365-K385 HydrophobicContact CB-CD 4.17Å; D365-K385 IonicContact OD1-NZ 2.67Å; D365-K385 WeakPolarHBondContact OD2-CD 3.41Å; D365-K385 IonicContact OD2-NZ 3.87Å; D365-K385 PolarHBondContact OD2-NZ 3.32Å
366P92.1Very high92.6Very high63 Ų6347 Ų4741%0.40927%0.274SS..SBendcis-82.1-27.43.432-35000114.1C364C364-P366 CarbonylContact O-C 3.56Å; C364-P366 VanDerWaalsContact O-O 3.04Å
367Q95.7Very high93.3Very high85 Ų8547.3 Ų47.340%0.39726%0.262SS..  trans-150.8150.8-176.1-68.6-175.7-15.700111.8C364 V382 Q383 T384 I406C364-Q367 PolarHBondContact O-N 2.79Å; Q367-V382 HydrophobicContact CB-CG1 4Å; Q367-V382 HydrophobicContact CG-CG1 4.12Å; Q367-Q383 CarbonylContact C-O 3.53Å; Q367-Q383 VanDerWaalsContact CA-O 3.27Å; Q367-Q383 WeakPolarHBondContact CA-O 3.34Å; Q367-T384 HydrophobicContact CG-CG2 4.19Å; Q367-I406 HydrophobicContact CB-CB 4.38Å; Q367-I406 HydrophobicContact CB-CD1 4.4Å; Q367-I406 PolarHBondContact O-N 3.07Å
368C96Very high94.3Very high0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-139.5156.1171.7640000110.3C364 V370 V382 Q383 V403 T404C364-C368 HydrophobicContact CB-CB 3.8Å; C364-C368 WeakPolarHBondContact CB-SG 3.24Å; C364-C368 WeakPolarHBondContact SG-CB 3.48Å; C364-C368 CovalentContact SG-SG 2.02Å; C364-C368 PolarHBondContact SG-SG 2.98Å; C368-V370 VanDerWaalsContact SG-CG2 3.6Å; C368-V382 CarbonylContact O-C 3.01Å; C368-V382 VanDerWaalsContact O-CA 3.29Å; C368-V382 WeakPolarHBondContact O-CA 3.33Å; C368-Q383 PolarHBondContact N-O 3.29Å; C368-Q383 PolarHBondContact O-N 2.85Å; C368-V403 HydrophobicContact CB-CG1 3.59Å; C368-V403 VanDerWaalsContact SG-CG1 3.56Å; C368-T404 CarbonylContact C-O 3.57Å; C368-T404 WeakPolarHBondContact CA-O 3.36Å; C368-T404 WeakPolarHBondContact CB-O 3.49Å
369N97.2Very high94.7Very high58 Ų5857.2 Ų57.231%0.3129%0.293SS..EExtended strand (participates in β ladder)trans-93.7136163.8-168.931.3000109.6G381 T404 I406N369-G381 WeakPolarHBondContact OD1-CA 3.06Å; N369-G381 PolarHBondContact OD1-O 3.12Å; N369-T404 PolarHBondContact N-O 2.98Å; N369-T404 PolarHBondContact O-N 3.1Å; N369-I406 HydrophobicContact CB-CD1 4.36Å
370V97.3Very high95Very high1 Ų156.7 Ų56.71%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-121.5133.4-175.6-178.80000110.1W361 C368 M380 G381 Q383 L401 T402 V403W361-V370 HydrophobicContact CH2-CG1 4.31Å; W361-V370 HydrophobicContact CH2-CG2 3.64Å; W361-V370 HydrophobicContact CZ2-CG2 4.44Å; W361-V370 HydrophobicContact CZ3-CG2 4.24Å; C368-V370 VanDerWaalsContact SG-CG2 3.6Å; V370-M380 HydrophobicContact CB-CB 4.07Å; V370-M380 HydrophobicContact CG1-CB 4.1Å; V370-M380 HydrophobicContact CG1-CG 4.35Å; V370-M380 HydrophobicContact CG1-SD 3.86Å; V370-M380 WeakPolarHBondContact O-CA 3.18Å; V370-M380 WeakPolarHBondContact O-CB 3.1Å; V370-M380 PolarHBondContact O-N 2.04Å; V370-G381 PolarHBondContact N-O 3.07Å; V370-G381 PolarHBondContact O-N 3.43Å; V370-Q383 HydrophobicContact CB-CG 4.01Å; V370-Q383 HydrophobicContact CG2-CB 3.95Å; V370-Q383 HydrophobicContact CG2-CG 3.57Å; V370-L401 HydrophobicContact CG1-CD1 4.33Å; V370-T402 WeakPolarHBondContact CA-O 3.48Å; V370-V403 HydrophobicContact CG2-CG1 4.16Å; V370-V403 HydrophobicContact CG2-CG2 4.49Å
371T97.8Very high95.2Very high20 Ų2057 Ų5712%0.12329%0.285CS..EExtended strand (participates in β ladder)trans-128.8121.6176.2-59.70000109.5Y377 L401 T402T371-Y377 HydrophobicContact CG2-CD2 4.05Å; T371-Y377 HydrophobicContact CG2-CE2 3.51Å; T371-L401 CarbonylContact O-C 3.54Å; T371-L401 WeakPolarHBondContact O-CA 3.26Å; T371-L401 WeakPolarHBondContact O-CB 3.49Å; T371-T402 PolarHBondContact N-O 3.29Å; T371-T402 PolarHBondContact O-N 2.8Å
372L98.3Very high95.3Very high25 Ų2560.4 Ų60.413%0.13131%0.307CS..EExtended strand (participates in β ladder)trans-79.7131.3167.6-170.369.1000108.4L374 Y377 K378 M380 L391 A399 L401L372-L374 WeakPolarHBondContact CD1-O 3.42Å; L372-L374 WeakPolarHBondContact CG-O 3.49Å; L372-Y377 CarbonylContact O-C 3.6Å; L372-Y377 WeakPolarHBondContact O-CA 3.45Å; L372-K378 HydrophobicContact CB-CB 4.19Å; L372-K378 PolarHBondContact N-O 2.69Å; L372-K378 PolarHBondContact O-N 2.75Å; L372-M380 HydrophobicContact CB-CG 4.27Å; L372-M380 HydrophobicContact CB-SD 4.05Å; L372-L391 HydrophobicContact CD1-CD2 4.23Å; L372-A399 HydrophobicContact CD1-CB 4.28Å; L372-L401 HydrophobicContact CD1-CB 4.32Å
373I98.4Very high95.6Very high6 Ų653.8 Ų53.83%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-107.2-44.1179.4-61168.6000110.2R303 I304 I307 E376 L400 T402R303-I373 HydrophobicContact CB-CD1 3.92Å; R303-I373 HydrophobicContact CB-CG1 4.15Å; R303-I373 HydrophobicContact CB-CG2 3.99Å; I304-I373 HydrophobicContact CD1-CG2 4.26Å; I304-I373 HydrophobicContact CG1-CG2 3.64Å; I307-I373 HydrophobicContact CD1-CD1 3.6Å; I373-E376 CarbonylContact O-C 3.59Å; I373-L400 PolarHBondContact N-O 2.85Å; I373-T402 HydrophobicContact CD1-CG2 3.8Å
374L98.4Very high95.8Very high7 Ų754 Ų544%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-123.2150.3176.1-69.1172.9000110.9E269 A273 L298 I304 L372 E376 A399 L400E269-L374 HydrophobicContact CB-CD1 4.13Å; E269-L374 HydrophobicContact CB-CD2 4.39Å; E269-L374 HydrophobicContact CG-CD2 3.98Å; A273-L374 HydrophobicContact CB-CD1 3.92Å; L298-L374 HydrophobicContact CD1-CD2 4.14Å; I304-L374 HydrophobicContact CD1-CD1 3.73Å; I304-L374 HydrophobicContact CD1-CD2 4.19Å; I304-L374 HydrophobicContact CD1-CG 3.96Å; L372-L374 WeakPolarHBondContact CD1-O 3.42Å; L372-L374 WeakPolarHBondContact CG-O 3.49Å; L374-E376 VanDerWaalsContact C-N 3.29Å; L374-A399 WeakPolarHBondContact O-CA 3.45Å; L374-L400 HydrophobicContact CB-CB 3.96Å; L374-L400 HydrophobicContact CD1-CB 4.12Å; L374-L400 HydrophobicContact CD1-CD2 4.29Å; L374-L400 HydrophobicContact CG-CB 4.27Å; L374-L400 PolarHBondContact N-O 3.36Å; L374-L400 PolarHBondContact O-N 3.09Å
375P95.4Very high95.7Very high55 Ų5558.8 Ų58.836%0.35730%0.301SS..SBendcis-76.8-12.9-2.431.7-36.6000113.4E269E269-P375 WeakPolarHBondContact OE2-CB 3.3Å
376E94.2Very high95.7Very high149 Ų14960 Ų6070%0.69630%0.304SS*.SBendtrans-134.2139.2178-174.3-175.1177.800109.4I373 L374 K378I373-E376 CarbonylContact O-C 3.59Å; L374-E376 VanDerWaalsContact C-N 3.29Å; E376-K378 PolarHBondContact O-N 3.12Å
377Y97.6Very high95.7Very high97 Ų9758.1 Ų58.138%0.3829%0.292SS..  trans-67125.7175.8172.7-101.8000111R303 T371 L372 E379R303-Y377 PolarHBondContact NH2-OH 3.45Å; T371-Y377 HydrophobicContact CG2-CD2 4.05Å; T371-Y377 HydrophobicContact CG2-CE2 3.51Å; L372-Y377 CarbonylContact O-C 3.6Å; L372-Y377 WeakPolarHBondContact O-CA 3.45Å; Y377-E379 HydrophobicContact CE1-CG 4.38Å; Y377-E379 WeakPolarHBondContact OH-CG 3.37Å; Y377-E379 PolarHBondContact OH-OE1 3.33Å
378K97.6Very high95.3Very high130 Ų13063.7 Ų63.757%0.56532%0.315SS*.EExtended strand (participates in β ladder)trans-151.5123.5175.7-175.4174.3-178.8173.10111.5L372 E376 M380L372-K378 HydrophobicContact CB-CB 4.19Å; L372-K378 PolarHBondContact N-O 2.69Å; L372-K378 PolarHBondContact O-N 2.75Å; E376-K378 PolarHBondContact O-N 3.12Å; K378-M380 PolarHBondContact O-N 3.22Å
379E96.8Very high95.1Very high131 Ų13165.1 Ų65.161%0.61232%0.322SS*.EExtended strand (participates in β ladder)trans-70.7112.5164.8-60.7-166.8161.500108.8Y377 G381Y377-E379 HydrophobicContact CE1-CG 4.38Å; Y377-E379 WeakPolarHBondContact OH-CG 3.37Å; Y377-E379 PolarHBondContact OH-OE1 3.33Å; E379-G381 VanDerWaalsContact C-N 3.3Å
380M95.2Very high95Very high43 Ų4368.1 Ų68.121%0.21234%0.337CS..EExtended strand (participates in β ladder)trans-88-5.4179.8-57.4-173.672.100111.9V370 L372 K378 Q383 L389 L391V370-M380 HydrophobicContact CB-CB 4.07Å; V370-M380 HydrophobicContact CG1-CB 4.1Å; V370-M380 HydrophobicContact CG1-CG 4.35Å; V370-M380 HydrophobicContact CG1-SD 3.86Å; V370-M380 WeakPolarHBondContact O-CA 3.18Å; V370-M380 WeakPolarHBondContact O-CB 3.1Å; V370-M380 PolarHBondContact O-N 2.04Å; L372-M380 HydrophobicContact CB-CG 4.27Å; L372-M380 HydrophobicContact CB-SD 4.05Å; K378-M380 PolarHBondContact O-N 3.22Å; M380-Q383 PolarHBondContact O-NE2 2.96Å; M380-L389 HydrophobicContact CE-CB 4.37Å; M380-L389 HydrophobicContact CE-CD1 3.79Å; M380-L389 HydrophobicContact CE-CD2 3.92Å; M380-L389 HydrophobicContact CE-CG 4.25Å; M380-L391 HydrophobicContact CE-CD2 4.46Å
381G93.9Very high94.9Very high27 Ų2768.5 Ų68.528%0.27834%0.339SS..EExtended strand (participates in β ladder)trans71.8-161.317700000113.6N369 V370 E379N369-G381 WeakPolarHBondContact OD1-CA 3.06Å; N369-G381 PolarHBondContact OD1-O 3.12Å; V370-G381 PolarHBondContact N-O 3.07Å; V370-G381 PolarHBondContact O-N 3.43Å; E379-G381 VanDerWaalsContact C-N 3.3Å
382V96Very high94.8Very high81 Ų8175.2 Ų75.249%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-75.1131.7-176.5-177.70000110.9Q367 C368 I406Q367-V382 HydrophobicContact CB-CG1 4Å; Q367-V382 HydrophobicContact CG-CG1 4.12Å; C368-V382 CarbonylContact O-C 3.01Å; C368-V382 VanDerWaalsContact O-CA 3.29Å; C368-V382 WeakPolarHBondContact O-CA 3.33Å; V382-I406 HydrophobicContact CB-CD1 4.47Å; V382-I406 HydrophobicContact CG1-CD1 3.98Å; V382-I406 HydrophobicContact CG2-CD1 3.82Å
383Q95.8Very high94.8Very high26 Ų2674 Ų7412%0.12136%0.36CS..EExtended strand (participates in β ladder)trans-129158.2-178.8-56.2-62.1-30.400110.3W361 Q367 C368 V370 M380 S387 L389W361-Q383 HydrophobicContact CZ2-CB 4.09Å; Q367-Q383 CarbonylContact C-O 3.53Å; Q367-Q383 VanDerWaalsContact CA-O 3.27Å; Q367-Q383 WeakPolarHBondContact CA-O 3.34Å; C368-Q383 PolarHBondContact N-O 3.29Å; C368-Q383 PolarHBondContact O-N 2.85Å; V370-Q383 HydrophobicContact CB-CG 4.01Å; V370-Q383 HydrophobicContact CG2-CB 3.95Å; V370-Q383 HydrophobicContact CG2-CG 3.57Å; M380-Q383 PolarHBondContact O-NE2 2.96Å; Q383-S387 WeakPolarHBondContact CA-OG 3.5Å; Q383-S387 PolarHBondContact OE1-OG 3.14Å; Q383-L389 HydrophobicContact CG-CD1 3.93Å
384T94.1Very high94.8Very high38 Ų3876.1 Ų76.123%0.23337%0.371CS..  trans-119.3174.3171.876.50000110.1W361 C364 Q367 E386 S387W361-T384 PolarHBondContact NE1-O 3.1Å; C364-T384 CarbonylContact O-C 3.44Å; C364-T384 WeakPolarHBondContact O-CA 3.46Å; Q367-T384 HydrophobicContact CG-CG2 4.19Å; T384-E386 VanDerWaalsContact CB-OE2 3.3Å; T384-E386 WeakPolarHBondContact CB-OE2 3.44Å; T384-E386 PolarHBondContact O-N 2.99Å; T384-E386 PolarHBondContact OG1-N 2.87Å; T384-E386 PolarHBondContact OG1-OE2 3.27Å; T384-S387 PolarHBondContact N-OG 3.16Å; T384-S387 VanDerWaalsContact O-CB 3.29Å; T384-S387 WeakPolarHBondContact O-CB 3.45Å; T384-S387 PolarHBondContact O-N 2.76Å; T384-S387 VanDerWaalsContact O-N 3.09Å; T384-S387 PolarHBondContact O-OG 3.46Å
385K90.9Very high94.8Very high100 Ų10076.9 Ų76.944%0.43538%0.377SS..THydrogen-bonded Turntrans-60.7-22.2172.870-178.2172-164.60113.3C364 D365C364-K385 PolarHBondContact O-N 2.95Å; C364-K385 VanDerWaalsContact O-N 3.16Å; D365-K385 HydrophobicContact CB-CD 4.17Å; D365-K385 IonicContact OD1-NZ 2.67Å; D365-K385 WeakPolarHBondContact OD2-CD 3.41Å; D365-K385 IonicContact OD2-NZ 3.87Å; D365-K385 PolarHBondContact OD2-NZ 3.32Å
386E90.9Very high95Very high119 Ų11974.8 Ų74.856%0.55636%0.363SS*.THydrogen-bonded Turntrans-88.2-5.4177.1-57.577.7-165.400114T384 K388T384-E386 VanDerWaalsContact CB-OE2 3.3Å; T384-E386 WeakPolarHBondContact CB-OE2 3.44Å; T384-E386 PolarHBondContact O-N 2.99Å; T384-E386 PolarHBondContact OG1-N 2.87Å; T384-E386 PolarHBondContact OG1-OE2 3.27Å; E386-K388 PolarHBondContact O-N 2.86Å
387S91.5Very high95.2Very high22 Ų2267.7 Ų67.715%0.15433%0.331CS..  trans-58.3127179.8-76.60000112.4Q383 T384 L389Q383-S387 WeakPolarHBondContact CA-OG 3.5Å; Q383-S387 PolarHBondContact OE1-OG 3.14Å; T384-S387 PolarHBondContact N-OG 3.16Å; T384-S387 VanDerWaalsContact O-CB 3.29Å; T384-S387 WeakPolarHBondContact O-CB 3.45Å; T384-S387 PolarHBondContact O-N 2.76Å; T384-S387 VanDerWaalsContact O-N 3.09Å; T384-S387 PolarHBondContact O-OG 3.46Å; S387-L389 PolarHBondContact O-N 2.02Å
388K89.1Confident95.3Very high203 Ų20363.2 Ų63.288%0.88331%0.313SS*.  trans-95.864.6-179.7-63.9-177.3-179.5178.20111.8E386E386-K388 PolarHBondContact O-N 2.86Å
389L91.8Very high95.3Very high30 Ų3057.1 Ų57.116%0.15729%0.287CS..  trans-82.4137.4177.9-55.3175.2000111.2A354 I355 W361 M380 Q383 S387A354-L389 WeakPolarHBondContact CA-O 3.39Å; I355-L389 HydrophobicContact CB-CB 4.1Å; I355-L389 HydrophobicContact CG2-CB 3.7Å; I355-L389 HydrophobicContact CG2-CD1 4.26Å; I355-L389 HydrophobicContact CG2-CG 4.2Å; I355-L389 PolarHBondContact N-O 2.87Å; W361-L389 HydrophobicContact CH2-CD1 3.81Å; W361-L389 HydrophobicContact CZ2-CD1 3.91Å; M380-L389 HydrophobicContact CE-CB 4.37Å; M380-L389 HydrophobicContact CE-CD1 3.79Å; M380-L389 HydrophobicContact CE-CD2 3.92Å; M380-L389 HydrophobicContact CE-CG 4.25Å; Q383-L389 HydrophobicContact CG-CD1 3.93Å; S387-L389 PolarHBondContact O-N 2.02Å
390I94.9Very high95.4Very high121 Ų12150.9 Ų50.962%0.62126%0.258SS*.EExtended strand (participates in β ladder)trans-118.7117172.8-57.6176.3000108.2F353F353-I390 CarbonylContact O-C 3.58Å; F353-I390 WeakPolarHBondContact O-CA 3Å
391L95Very high95.5Very high8 Ų848.9 Ų48.94%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-85.4131172.7-56.3178000108.9V341 G352 F353 I355 L372 M380 V393 A399 L401V341-L391 HydrophobicContact CB-CD1 4.36Å; V341-L391 HydrophobicContact CG2-CD1 3.9Å; G352-L391 CarbonylContact C-O 3.59Å; G352-L391 VanDerWaalsContact CA-O 3.28Å; G352-L391 WeakPolarHBondContact CA-O 3.35Å; F353-L391 PolarHBondContact N-O 2.88Å; F353-L391 PolarHBondContact O-N 2.76Å; I355-L391 HydrophobicContact CD1-CD1 3.91Å; I355-L391 HydrophobicContact CD1-CG 4.49Å; L372-L391 HydrophobicContact CD1-CD2 4.23Å; M380-L391 HydrophobicContact CE-CD2 4.46Å; L391-V393 HydrophobicContact CB-CG2 4.21Å; L391-A399 HydrophobicContact CB-CB 4.32Å; L391-A399 HydrophobicContact CD1-CB 4.06Å; L391-L401 HydrophobicContact CD1-CD2 3.54Å; L391-L401 HydrophobicContact CD2-CD2 4.23Å
392K96.3Very high95.7Very high161 Ų16148.2 Ų48.270%0.724%0.238SC*.EExtended strand (participates in β ladder)trans-92.2120.2169.2-68.9-173.8-179.9-178.30108.3P350 R351P350-K392 HydrophobicContact CB-CB 4.32Å; R351-K392 WeakPolarHBondContact O-CA 3Å
393V98.1Very high95.8Very high1 Ų144.3 Ų44.31%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-122.9121-175.5-166.80000109.6F325 V341 N343 P350 R351 L391 G397 A399F325-V393 HydrophobicContact CE1-CB 3.99Å; F325-V393 HydrophobicContact CE1-CG2 4.06Å; V341-V393 HydrophobicContact CG1-CG2 4.19Å; V341-V393 WeakPolarHBondContact O-CG1 3.17Å; N343-V393 HydrophobicContact CB-CB 4.06Å; N343-V393 HydrophobicContact CB-CG1 3.68Å; N343-V393 PolarHBondContact ND2-O 2.86Å; P350-V393 CarbonylContact C-O 3.35Å; P350-V393 VanDerWaalsContact CA-O 3.29Å; P350-V393 WeakPolarHBondContact CA-O 3.49Å; R351-V393 PolarHBondContact N-O 2.96Å; R351-V393 PolarHBondContact O-N 3.08Å; L391-V393 HydrophobicContact CB-CG2 4.21Å; V393-G397 WeakPolarHBondContact CG1-O 3.28Å; V393-A399 HydrophobicContact CG2-CB 3.85Å
394N98.4Very high95.8Very high49 Ų4945.5 Ų45.526%0.26222%0.224SC..  trans-63.5153178.7-72.3-21.8000111.7D266 N343 P350 S396 G397D266-N394 VanDerWaalsContact OD1-CB 3.27Å; D266-N394 WeakPolarHBondContact OD1-CB 3.29Å; D266-N394 PolarHBondContact OD1-ND2 3.29Å; N343-N394 VanDerWaalsContact CB-O 3.31Å; N343-N394 WeakPolarHBondContact CB-O 3.39Å; N343-N394 PolarHBondContact ND2-O 2.74Å; P350-N394 WeakPolarHBondContact CB-OD1 3.49Å; P350-N394 VanDerWaalsContact CG-OD1 3.28Å; P350-N394 WeakPolarHBondContact CG-OD1 3.4Å; N394-S396 PolarHBondContact O-N 3.47Å; N394-G397 WeakPolarHBondContact O-CA 3.05Å; N394-G397 PolarHBondContact O-N 2.01Å
395P98.5Very high95.9Very high24 Ų2445.6 Ų45.616%0.15623%0.226CC..THydrogen-bonded Turntrans-50.1131.4169.6-27.436.3000111.4Q345 G348 G397Q345-P395 CarbonylContact O-C 3.58Å; Q345-P395 WeakPolarHBondContact O-CA 3.32Å; Q345-P395 WeakPolarHBondContact O-CB 3.17Å; G348-P395 WeakPolarHBondContact O-CG 3.46Å; P395-G397 PolarHBondContact O-N 3.21Å
396S98.4Very high96Very high10 Ų1043.8 Ų43.87%0.0722%0.22CC..THydrogen-bonded Turntrans56.87.3-172.963.20000116.5Q267 S270 N343 Q345 N394Q267-S396 WeakPolarHBondContact CG-OG 3.32Å; Q267-S396 PolarHBondContact NE2-OG 3.29Å; S270-S396 PolarHBondContact OG-O 3.37Å; N343-S396 VanDerWaalsContact O-CA 3.3Å; N343-S396 WeakPolarHBondContact O-CA 3.21Å; N343-S396 PolarHBondContact O-N 3.36Å; Q345-S396 PolarHBondContact O-N 3.09Å; N394-S396 PolarHBondContact O-N 3.47Å
397G98.5Very high95.3Very high1 Ų142 Ų421%0.0122%0.221CC..  trans-95.7166.3177.800000113S270 N343 V393 N394 P395S270-G397 VanDerWaalsContact OG-C 3.22Å; S270-G397 WeakPolarHBondContact OG-CA 2.96Å; N343-G397 PolarHBondContact N-O 2.87Å; V393-G397 WeakPolarHBondContact CG1-O 3.28Å; N394-G397 WeakPolarHBondContact O-CA 3.05Å; N394-G397 PolarHBondContact O-N 2.01Å; P395-G397 PolarHBondContact O-N 3.21Å
398T98.8Very high93.6Very high3 Ų348.4 Ų48.42%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-128129.9-179.2-65.70000111.3S270 A273 A340 V341 L342S270-T398 WeakPolarHBondContact CA-OG1 3.31Å; S270-T398 WeakPolarHBondContact CB-OG1 3.31Å; S270-T398 PolarHBondContact OG-N 3.03Å; S270-T398 PolarHBondContact OG-OG1 3.14Å; A273-T398 HydrophobicContact CB-CG2 3.73Å; A340-T398 HydrophobicContact CB-CG2 3.78Å; V341-T398 WeakPolarHBondContact O-CA 3.37Å; L342-T398 WeakPolarHBondContact CD1-OG1 3.12Å
399A98.6Very high91.8Very high1 Ų145.8 Ų45.81%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-88.9116.8162.900000109.1A340 V341 L372 L374 L391 V393A340-A399 WeakPolarHBondContact CA-O 3.41Å; V341-A399 PolarHBondContact N-O 2.91Å; V341-A399 PolarHBondContact O-N 3.34Å; L372-A399 HydrophobicContact CD1-CB 4.28Å; L374-A399 WeakPolarHBondContact O-CA 3.45Å; L391-A399 HydrophobicContact CB-CB 4.32Å; L391-A399 HydrophobicContact CD1-CB 4.06Å; V393-A399 HydrophobicContact CG2-CB 3.85Å
400L98.8Very high89.6Confident0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-108.8129.8178.3179.867.6000109.5A273 I277 I304 I307 V339 A340 I373 L374A273-L400 HydrophobicContact CB-CB 4.19Å; A273-L400 HydrophobicContact CB-CD1 4.43Å; A273-L400 HydrophobicContact CB-CD2 4.05Å; A273-L400 HydrophobicContact CB-CG 4.46Å; I277-L400 HydrophobicContact CD1-CD1 4.12Å; I277-L400 HydrophobicContact CG1-CD1 4.23Å; I304-L400 HydrophobicContact CB-CD2 4.5Å; I304-L400 HydrophobicContact CD1-CD2 4.36Å; I304-L400 HydrophobicContact CG1-CD2 3.91Å; I304-L400 HydrophobicContact CG2-CD2 4.11Å; I307-L400 HydrophobicContact CD1-CD1 4.25Å; I307-L400 HydrophobicContact CD1-CD2 3.92Å; I307-L400 HydrophobicContact CD1-CG 4.18Å; V339-L400 WeakPolarHBondContact O-CA 3.12Å; A340-L400 HydrophobicContact CB-CD1 4.06Å; I373-L400 PolarHBondContact N-O 2.85Å; L374-L400 HydrophobicContact CB-CB 3.96Å; L374-L400 HydrophobicContact CD1-CB 4.12Å; L374-L400 HydrophobicContact CD1-CD2 4.29Å; L374-L400 HydrophobicContact CG-CB 4.27Å; L374-L400 PolarHBondContact N-O 3.36Å; L374-L400 PolarHBondContact O-N 3.09Å
401L97.9Very high87Confident1 Ų150.5 Ų50.51%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-137.9155.2179.658.7105.1000112.2A338 V339 I355 W361 V370 T371 L372 L391 V403A338-L401 CarbonylContact C-O 3.44Å; A338-L401 VanDerWaalsContact CA-O 3.32Å; A338-L401 WeakPolarHBondContact CA-O 3.43Å; V339-L401 HydrophobicContact CB-CD1 3.8Å; V339-L401 HydrophobicContact CB-CD2 4.44Å; V339-L401 HydrophobicContact CB-CG 3.92Å; V339-L401 HydrophobicContact CG2-CD1 4Å; V339-L401 PolarHBondContact N-O 3.46Å; V339-L401 PolarHBondContact O-N 3.47Å; I355-L401 HydrophobicContact CD1-CD2 3.92Å; W361-L401 HydrophobicContact CZ3-CD1 4.35Å; V370-L401 HydrophobicContact CG1-CD1 4.33Å; T371-L401 CarbonylContact O-C 3.54Å; T371-L401 WeakPolarHBondContact O-CA 3.26Å; T371-L401 WeakPolarHBondContact O-CB 3.49Å; L372-L401 HydrophobicContact CD1-CB 4.32Å; L391-L401 HydrophobicContact CD1-CD2 3.54Å; L391-L401 HydrophobicContact CD2-CD2 4.23Å; L401-V403 HydrophobicContact CD1-CG2 3.44Å; L401-V403 VanDerWaalsContact CD1-CG2 3.44Å
402T98.1Very high84.4Confident13 Ų1360.9 Ų60.98%0.0831%0.312CS..EExtended strand (participates in β ladder)trans-112.7142.2168.253.60000110.3I307 L332 L337 V370 T371 I373I307-T402 HydrophobicContact CD1-CG2 3.68Å; I307-T402 HydrophobicContact CG1-CG2 3.88Å; L332-T402 HydrophobicContact CD1-CG2 4.49Å; L337-T402 CarbonylContact O-C 3.6Å; L337-T402 WeakPolarHBondContact O-CA 3.49Å; V370-T402 WeakPolarHBondContact CA-O 3.48Å; T371-T402 PolarHBondContact N-O 3.29Å; T371-T402 PolarHBondContact O-N 2.8Å; I373-T402 HydrophobicContact CD1-CG2 3.8Å
403V97.2Very high81.9Confident0 Ų059.4 Ų59.40%031%0.311CS..EExtended strand (participates in β ladder)trans-123.5122.9179.6-169.10000108.1R336 L337 V339 W361 V363 C364 C368 V370 L401R336-V403 CarbonylContact C-O 3.57Å; R336-V403 VanDerWaalsContact CA-O 3.31Å; R336-V403 WeakPolarHBondContact CA-O 3.48Å; L337-V403 HydrophobicContact CB-CB 4.24Å; L337-V403 PolarHBondContact N-O 3.45Å; L337-V403 PolarHBondContact O-N 2.96Å; V339-V403 HydrophobicContact CG2-CG2 4.49Å; W361-V403 HydrophobicContact CE3-CG2 4.35Å; W361-V403 HydrophobicContact CZ3-CG2 3.81Å; V363-V403 HydrophobicContact CG1-CB 4.06Å; V363-V403 HydrophobicContact CG1-CG1 3.41Å; V363-V403 VanDerWaalsContact CG1-CG1 3.41Å; C364-V403 WeakPolarHBondContact SG-CG1 3.38Å; C368-V403 HydrophobicContact CB-CG1 3.59Å; C368-V403 VanDerWaalsContact SG-CG1 3.56Å; V370-V403 HydrophobicContact CG2-CG1 4.16Å; V370-V403 HydrophobicContact CG2-CG2 4.49Å; L401-V403 HydrophobicContact CD1-CG2 3.44Å; L401-V403 VanDerWaalsContact CD1-CG2 3.44Å
404T96.8Very high79.1Confident50 Ų5066.6 Ų66.631%0.30734%0.344SS..EExtended strand (participates in β ladder)trans-117.5110.5-179.1-570000109R336 C368 N369R336-T404 WeakPolarHBondContact CD-OG1 3.3Å; R336-T404 HydrophobicContact CG-CG2 4.01Å; C368-T404 CarbonylContact C-O 3.57Å; C368-T404 WeakPolarHBondContact CA-O 3.36Å; C368-T404 WeakPolarHBondContact CB-O 3.49Å; N369-T404 PolarHBondContact N-O 2.98Å; N369-T404 PolarHBondContact O-N 3.1Å
405P95.1Very high76.5Confident41 Ų4174.2 Ų74.227%0.26637%0.369SS..EExtended strand (participates in β ladder)trans-59.9140.8176.117.5-23.8000111.1N335 V363N335-P405 HydrophobicContact CB-CG 4.1Å; N335-P405 VanDerWaalsContact O-CD 3.26Å; N335-P405 WeakPolarHBondContact O-CD 3.46Å; N335-P405 VanDerWaalsContact O-CG 3.23Å; N335-P405 WeakPolarHBondContact O-CG 3.36Å; V363-P405 HydrophobicContact CG2-CB 3.83Å; V363-P405 HydrophobicContact CG2-CG 3.57Å
406I93.5Very high73.7Confident62 Ų6281.8 Ų81.832%0.31840%0.399SS..  trans-99.8107.8175.8-60.3172.2000107.1Q367 N369 V382Q367-I406 HydrophobicContact CB-CB 4.38Å; Q367-I406 HydrophobicContact CB-CD1 4.4Å; Q367-I406 PolarHBondContact O-N 3.07Å; N369-I406 HydrophobicContact CB-CD1 4.36Å; V382-I406 HydrophobicContact CB-CD1 4.47Å; V382-I406 HydrophobicContact CG1-CD1 3.98Å; V382-I406 HydrophobicContact CG2-CD1 3.82Å
407S76.4Confident71.1Confident82 Ų8288.2 Ų88.257%0.57343%0.433SS*.  trans-68.7137.5170.91340000109.5D409S407-D409 PolarHBondContact O-N 2.82Å; S407-D409 VanDerWaalsContact O-N 3.16Å; S407-D409 PolarHBondContact OG-N 3.27Å; S407-D409 VanDerWaalsContact OG-N 3.07Å; S407-D409 PolarHBondContact OG-OD2 2.75Å
408K55.8Low68.6Low156 Ų15694.1 Ų94.168%0.67847%0.469SS*.  trans-82.158.3165.6-74.4-171.7178-1800110.6F410K408-F410 PolarHBondContact O-N 3.14Å
409D50.1Low66Low147 Ų147105.2 Ų105.279%0.78653%0.528SS*.  trans-87.764.7159.2-77.8-40.5000109S407 G411S407-D409 PolarHBondContact O-N 2.82Å; S407-D409 VanDerWaalsContact O-N 3.16Å; S407-D409 PolarHBondContact OG-N 3.27Å; S407-D409 VanDerWaalsContact OG-N 3.07Å; S407-D409 PolarHBondContact OG-OD2 2.75Å; D409-G411 VanDerWaalsContact C-N 3.29Å; D409-G411 PolarHBondContact O-N 3.36Å
410F46.8Very low64.4Low190 Ų190110.4 Ų110.483%0.83355%0.554SS**  trans-66.9102.9151.9-83.1-83.2000105.5K408 R412K408-F410 PolarHBondContact O-N 3.14Å; F410-R412 PolarHBondContact O-N 2.97Å
411G40.2Very low62.6Low61 Ų61116.2 Ų116.263%0.62958%0.583SS**  trans-42.3119.2170.800000109.1D409 I413D409-G411 VanDerWaalsContact C-N 3.29Å; D409-G411 PolarHBondContact O-N 3.36Å; G411-I413 PolarHBondContact O-N 3.05Å
412R40.7Very low60.6Low226 Ų226122.6 Ų122.685%0.85362%0.616SS**  trans-59.483154.3-79.5-178.8175178.2-1.1106F410 H414F410-R412 PolarHBondContact O-N 2.97Å; R412-H414 PolarHBondContact O-N 3.07Å
413I42.5Very low58.4Low130 Ų130129.1 Ų129.167%0.66765%0.647SS**  trans-68.387.8157.5-59.6174.9000103.4G411 W415G411-I413 PolarHBondContact O-N 3.05Å; I413-W415 PolarHBondContact O-N 3.23Å
414H40.5Very low56Low151 Ų151137.1 Ų137.170%0.69969%0.688SS**  trans-6297.3160.6-90.1-57.8000105.9R412 K416R412-H414 PolarHBondContact O-N 3.07Å; H414-K416 PolarHBondContact O-N 3.5Å
415W42.8Very low53.3Low210 Ų210142.9 Ų142.980%0.79571%0.713SS**  trans-58.8100.2153.7-70.292.6000105.9I413 D417I413-W415 PolarHBondContact O-N 3.23Å; W415-D417 VanDerWaalsContact C-N 3.3Å; W415-D417 PolarHBondContact O-N 2.73Å
416K39.6Very low50.3Low182 Ų182150.2 Ų150.279%0.79175%0.745SS**  trans-77.595.8157.2-87.1-173.2172.5-176.10105H414 T418H414-K416 PolarHBondContact O-N 3.5Å; K416-T418 PolarHBondContact O-N 2.6Å
417D44.3Very low47Very low145 Ų145157 Ų15778%0.77578%0.778SS**  trans-60.2114.2153.6-68.1-37.3000106.5W415W415-D417 VanDerWaalsContact C-N 3.3Å; W415-D417 PolarHBondContact O-N 2.73Å
418T46.8Very low44.5Very low125 Ų125163.3 Ų163.377%0.76780%0.795SS**  trans-96.8104.8165.647.10000106.8K416K416-T418 PolarHBondContact O-N 2.6Å
419D44.2Very low43.5Very low236 Ų236163.9 Ų163.9100%1.26281%0.805SS**  trans-66.60152.7-76.3-37.5000110.8

Retrieved 419 of 419 residues in 291.4 ms (Link to these results)

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