A0A077ZG77_TRITR Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A077ZG77, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 506 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
1M48.7Very low85.6Confident161 Ų16177.4 Ų77.479%0.79346%0.459SS*.  0128.90-71.3176-168.600106.6D488M1-D488 WeakPolarHBondContact CE-O 3.36Å
2G59.5Low86.6Confident52 Ų5275.8 Ų75.854%0.53644%0.442SS..PPolyproline II helixtrans-65.1172.2178.500000112
3A77.4Confident87.5Confident24 Ų2477.6 Ų77.620%0.19845%0.454CS..PPolyproline II helixtrans-60.9145.3174.300000111.5I34 L135A3-I34 HydrophobicContact CB-CG2 4Å; A3-I34 WeakPolarHBondContact O-CG2 3.45Å; A3-L135 HydrophobicContact CB-CD1 3.54Å; A3-L135 HydrophobicContact CB-CD2 4.14Å; A3-L135 HydrophobicContact CB-CG 4.45Å
4Y90.5Very high88.2Confident59 Ų5976.9 Ų76.923%0.23146%0.455CS..EExtended strand (participates in β ladder)trans-103.7150.9172-62-56.7000110.6W32 T485 C492Y4-W32 CarbonylContact C-O 3.54Å; Y4-W32 VanDerWaalsContact CA-O 3.28Å; Y4-W32 WeakPolarHBondContact CA-O 3.27Å; Y4-W32 HydrophobicContact CD1-CB 3.88Å; Y4-W32 HydrophobicContact CE1-CB 4.5Å; Y4-W32 HydrophobicContact CG-CB 4.5Å; Y4-T485 HydrophobicContact CD1-CG2 4.16Å; Y4-T485 HydrophobicContact CD2-CG2 3.61Å; Y4-T485 HydrophobicContact CE2-CG2 4.22Å; Y4-T485 HydrophobicContact CG-CG2 3.57Å; Y4-C492 HydrophobicContact CD1-CB 4.22Å; Y4-C492 HydrophobicContact CE1-CB 3.53Å
5L92.8Very high88.9Confident48 Ų4877 Ų7725%0.25145%0.449SS..EExtended strand (participates in β ladder)trans-64.4159.5167.5-64.3172.6000111.1S7 N9 W32 R33 I34L5-S7 WeakPolarHBondContact CB-O 3.45Å; L5-S7 PolarHBondContact O-N 3.43Å; L5-N9 HydrophobicContact CD1-CB 4.16Å; L5-W32 PolarHBondContact N-O 2.88Å; L5-R33 VanDerWaalsContact CD1-O 3.31Å; L5-R33 WeakPolarHBondContact CD1-O 3.42Å; L5-R33 WeakPolarHBondContact CG-O 3.36Å; L5-I34 HydrophobicContact CD2-CG2 4.22Å
6S91.9Very high89.5Confident128 Ų12879.3 Ų79.390%0.89545%0.454SS*.EExtended strand (participates in β ladder)trans-66.8-23172.257.80000113.3
7S93.8Very high90Very high71 Ų7175.9 Ų75.950%0.49744%0.44SS..EExtended strand (participates in β ladder)trans-150.6149.3171.559.90000109.4L5L5-S7 WeakPolarHBondContact CB-O 3.45Å; L5-S7 PolarHBondContact O-N 3.43Å
8P96.1Very high90.3Very high34 Ų3479.3 Ų79.322%0.22145%0.449CS..EExtended strand (participates in β ladder)trans-69.2141.1-17728.7-31.1000110.9T10 G31 W32 L481P8-T10 HydrophobicContact CB-CG2 4.28Å; P8-T10 HydrophobicContact CG-CG2 4.13Å; P8-T10 PolarHBondContact O-N 2.91Å; P8-G31 CarbonylContact C-O 3.56Å; P8-G31 WeakPolarHBondContact CA-O 3.21Å; P8-W32 HydrophobicContact CB-CD2 3.8Å; P8-W32 HydrophobicContact CB-CE3 4.38Å; P8-W32 HydrophobicContact CB-CG 3.93Å; P8-W32 HydrophobicContact CB-CZ2 4.43Å; P8-W32 HydrophobicContact CG-CD2 4.17Å; P8-W32 HydrophobicContact CG-CH2 4.42Å; P8-W32 HydrophobicContact CG-CZ2 3.89Å; P8-L481 HydrophobicContact CB-CD1 4.01Å; P8-L481 HydrophobicContact CB-CD2 4.36Å; P8-L481 HydrophobicContact CG-CD2 4.26Å
9N96.7Very high90.5Very high55 Ų5576.1 Ų76.129%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-79.6104.6166.1-177.2-1.1000109.3L5 E11 Q30 G31L5-N9 HydrophobicContact CD1-CB 4.16Å; N9-E11 VanDerWaalsContact OD1-CB 3.31Å; N9-E11 WeakPolarHBondContact OD1-CB 3.5Å; N9-E11 PolarHBondContact OD1-N 2.94Å; N9-E11 VanDerWaalsContact OD1-N 3.08Å; N9-Q30 HydrophobicContact CB-CB 4.07Å; N9-Q30 HydrophobicContact CB-CG 4.3Å; N9-Q30 PolarHBondContact ND2-OE1 3.22Å; N9-Q30 VanDerWaalsContact ND2-OE1 3.16Å; N9-G31 PolarHBondContact N-O 3.1Å; N9-G31 PolarHBondContact O-N 3.38Å
10T97.3Very high90.5Very high71 Ų7178.4 Ų78.444%0.43645%0.446SS..EExtended strand (participates in β ladder)trans-96.57.1-177.6640000113.8P8 K12 L481P8-T10 HydrophobicContact CB-CG2 4.28Å; P8-T10 HydrophobicContact CG-CG2 4.13Å; P8-T10 PolarHBondContact O-N 2.91Å; T10-K12 PolarHBondContact O-NZ 2.94Å; T10-L481 HydrophobicContact CG2-CD2 3.62Å
11E97.5Very high90.7Very high148 Ų14876.8 Ų76.869%0.69243%0.434SS*.EExtended strand (participates in β ladder)trans-60.9137171.3-172.3171.8-173.300109.4N9N9-E11 VanDerWaalsContact OD1-CB 3.31Å; N9-E11 WeakPolarHBondContact OD1-CB 3.5Å; N9-E11 PolarHBondContact OD1-N 2.94Å; N9-E11 VanDerWaalsContact OD1-N 3.08Å
12K97.5Very high93Very high59 Ų5969.1 Ų69.126%0.25740%0.397SS..EExtended strand (participates in β ladder)trans-114.5130.4-176.1-68.5176.2-177.460.80109.2T10 V27 S28 M29 A474 N478T10-K12 PolarHBondContact O-NZ 2.94Å; K12-V27 HydrophobicContact CB-CG1 4.07Å; K12-V27 HydrophobicContact CD-CG1 4Å; K12-V27 HydrophobicContact CG-CG1 4Å; K12-S28 WeakPolarHBondContact CA-O 3.32Å; K12-M29 HydrophobicContact CG-CB 4.35Å; K12-M29 HydrophobicContact CG-CG 4.41Å; K12-M29 HydrophobicContact CG-SD 4.33Å; K12-A474 HydrophobicContact CD-CB 3.79Å; K12-A474 WeakPolarHBondContact CE-O 3.41Å; K12-N478 VanDerWaalsContact CE-OD1 3.3Å; K12-N478 WeakPolarHBondContact CE-OD1 3.5Å; K12-N478 PolarHBondContact NZ-OD1 3.02Å
13V97.7Very high94.8Very high99 Ų9969.2 Ų69.260%0.638%0.382SS*.EExtended strand (participates in β ladder)trans-92.8121.6161.7-178.70000106.4V27 S28V13-V27 WeakPolarHBondContact O-CA 3.5Å; V13-S28 PolarHBondContact N-O 3.26Å; V13-S28 PolarHBondContact O-N 3.48Å
14S97.9Very high95.8Very high67 Ų6768.6 Ų68.647%0.46938%0.375SS..EExtended strand (participates in β ladder)trans-127.3138.5-174.1-55.70000111.1A26S14-A26 WeakPolarHBondContact CA-O 3.19Å
15E98.2Very high96.2Very high79 Ų7965.8 Ų65.837%0.36936%0.364SS..EExtended strand (participates in β ladder)trans-133.5148.5175.8-167-171.5143.800109.3Y24 G25 A26E15-Y24 HydrophobicContact CG-CE2 4.15Å; E15-Y24 PolarHBondContact OE1-OH 2.97Å; E15-G25 CarbonylContact O-C 3.44Å; E15-G25 WeakPolarHBondContact O-CA 3.45Å; E15-A26 PolarHBondContact N-O 3.23Å; E15-A26 PolarHBondContact O-N 3.13Å
16Q98.2Very high96.5Very high114 Ų11463.5 Ų63.553%0.53335%0.352SS..EExtended strand (participates in β ladder)trans-146.9154.6172.264.51777.600110.4Y24 V470Q16-Y24 VanDerWaalsContact CA-O 3.3Å; Q16-Y24 WeakPolarHBondContact CA-O 3.48Å; Q16-Y24 WeakPolarHBondContact CB-O 3.39Å; Q16-V470 HydrophobicContact CB-CB 4.15Å; Q16-V470 HydrophobicContact CB-CG1 4.41Å
17G97.6Very high96.8Very high21 Ų2157.4 Ų57.422%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-160.7163.6176.600000113.1K23 Y24G17-K23 CarbonylContact O-C 3.49Å; G17-K23 WeakPolarHBondContact O-CA 3.27Å; G17-Y24 VanDerWaalsContact N-CE1 3.35Å; G17-Y24 PolarHBondContact N-O 3.36Å; G17-Y24 WeakPolarHBondContact O-CD1 3.44Å; G17-Y24 PolarHBondContact O-N 3.47Å
18K96.7Very high97Very high138 Ų13854.5 Ų54.560%0.629%0.289SS*.EExtended strand (participates in β ladder)trans-134118.7179.2-178.7178.1-179.6-172.80110.2K23 L44K18-K23 HydrophobicContact CB-CG 4.08Å; K18-K23 HydrophobicContact CD-CG 4.22Å; K18-K23 HydrophobicContact CG-CG 3.84Å; K18-L44 VanDerWaalsContact C-CD1 3.41Å
19G92.8Very high97.1Very high18 Ų1853 Ų5319%0.18628%0.279CS..  trans-97.1-166.2169.400000111.9V22G19-V22 PolarHBondContact N-O 3.43Å
20N91.1Very high97.2Very high121 Ų12151.9 Ų51.965%0.64727%0.272SS*.SBendtrans-69.2-42.9179.8-71.9-24.6000112.5D50N20-D50 PolarHBondContact ND2-OD1 2.92Å
21F94.6Very high97.2Very high45 Ų4548.5 Ų48.520%0.19725%0.251CS..SBendtrans-110.6-14.3-177.2-176.7-117.8000113.7L321 K324 L432 F502 Q503 W504F21-L321 HydrophobicContact CD1-CD2 4.29Å; F21-K324 HydrophobicContact CE1-CG 4.16Å; F21-K324 HydrophobicContact CZ-CG 4.23Å; F21-L432 HydrophobicContact CE1-CD1 3.81Å; F21-L432 HydrophobicContact CZ-CD1 4.49Å; F21-F502 HydrophobicContact CD1-CD1 4.34Å; F21-F502 HydrophobicContact CE1-CB 4.23Å; F21-F502 AromaticContact CE1-CD1 3.76Å; F21-F502 HydrophobicContact CE1-CD1 3.76Å; F21-F502 HydrophobicContact CE1-CG 4.3Å; F21-F502 HydrophobicContact CZ-CB 4.03Å; F21-F502 HydrophobicContact CZ-CD1 4.39Å; F21-F502 HydrophobicContact CZ-CG 4.49Å; F21-Q503 VanDerWaalsContact CD2-O 3.3Å; F21-Q503 WeakPolarHBondContact CD2-O 3.48Å; F21-Q503 WeakPolarHBondContact CE2-O 3.33Å; F21-Q503 WeakPolarHBondContact O-CB 3.48Å; F21-Q503 PolarHBondContact O-N 3.24Å; F21-W504 HydrophobicContact CE2-CD2 4.31Å; F21-W504 HydrophobicContact CE2-CE3 4.32Å; F21-W504 HydrophobicContact CZ-CD2 4.27Å; F21-W504 HydrophobicContact CZ-CE3 4.38Å; F21-W504 HydrophobicContact CZ-CH2 4.13Å; F21-W504 AromaticContact CZ-CZ2 3.98Å; F21-W504 HydrophobicContact CZ-CZ2 3.98Å; F21-W504 HydrophobicContact CZ-CZ3 4.34Å
22V96.5Very high97.1Very high1 Ų142.4 Ų42.41%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-130.9152-174.8-61.80000113G19 L44 F54 L321 V500 T501 F502G19-V22 PolarHBondContact N-O 3.43Å; V22-L44 HydrophobicContact CG2-CD2 3.57Å; V22-F54 HydrophobicContact CG2-CZ 4.24Å; V22-L321 HydrophobicContact CG1-CD2 3.43Å; V22-L321 VanDerWaalsContact CG1-CD2 3.43Å; V22-V500 HydrophobicContact CB-CG1 3.93Å; V22-V500 HydrophobicContact CG1-CG1 4.02Å; V22-T501 VanDerWaalsContact CA-O 3.28Å; V22-T501 WeakPolarHBondContact CA-O 3.32Å; V22-F502 HydrophobicContact CG1-CD1 3.84Å; V22-F502 HydrophobicContact CG1-CE1 4.22Å
23K97.4Very high97Very high53 Ų5342.8 Ų42.823%0.2322%0.222CC..EExtended strand (participates in β ladder)trans-113152.9156.9-83.9164.1166.9-140.50108.3G17 K18 E468 V500 T501G17-K23 CarbonylContact O-C 3.49Å; G17-K23 WeakPolarHBondContact O-CA 3.27Å; K18-K23 HydrophobicContact CB-CG 4.08Å; K18-K23 HydrophobicContact CD-CG 4.22Å; K18-K23 HydrophobicContact CG-CG 3.84Å; K23-E468 IonicContact NZ-OE1 2.61Å; K23-E468 IonicContact NZ-OE2 3.44Å; K23-E468 PolarHBondContact NZ-OE2 2.72Å; K23-V500 CarbonylContact O-C 3.48Å; K23-V500 VanDerWaalsContact O-CA 3.31Å; K23-V500 WeakPolarHBondContact O-CA 3.41Å; K23-T501 PolarHBondContact N-O 2.97Å; K23-T501 PolarHBondContact O-N 3.05Å
24Y98.6Very high96.8Very high12 Ų1241.5 Ų41.55%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-140.1157.5167.274.6-84000112.3E15 Q16 G17 A26 C42 L44 F54 V499E15-Y24 HydrophobicContact CG-CE2 4.15Å; E15-Y24 PolarHBondContact OE1-OH 2.97Å; Q16-Y24 VanDerWaalsContact CA-O 3.3Å; Q16-Y24 WeakPolarHBondContact CA-O 3.48Å; Q16-Y24 WeakPolarHBondContact CB-O 3.39Å; G17-Y24 VanDerWaalsContact N-CE1 3.35Å; G17-Y24 PolarHBondContact N-O 3.36Å; G17-Y24 WeakPolarHBondContact O-CD1 3.44Å; G17-Y24 PolarHBondContact O-N 3.47Å; Y24-A26 HydrophobicContact CD2-CB 4.45Å; Y24-C42 HydrophobicContact CD2-CB 3.69Å; Y24-C42 HydrophobicContact CE1-CB 4.06Å; Y24-C42 HydrophobicContact CE2-CB 3.17Å; Y24-C42 VanDerWaalsContact CE2-SG 3.58Å; Y24-C42 HydrophobicContact CG-CB 4.33Å; Y24-L44 HydrophobicContact CD1-CD1 4.38Å; Y24-L44 HydrophobicContact CD1-CD2 3.82Å; Y24-L44 HydrophobicContact CD1-CG 4.15Å; Y24-L44 HydrophobicContact CE1-CD1 3.78Å; Y24-L44 HydrophobicContact CE1-CD2 3.91Å; Y24-L44 HydrophobicContact CE1-CG 3.7Å; Y24-F54 AromaticContact CD1-CE1 3.74Å; Y24-F54 HydrophobicContact CD1-CE1 3.74Å; Y24-F54 HydrophobicContact CD1-CZ 4.29Å; Y24-F54 HydrophobicContact CD2-CE1 4.39Å; Y24-F54 HydrophobicContact CE1-CE1 4.36Å; Y24-F54 AromaticContact CG-CE1 3.74Å; Y24-F54 HydrophobicContact CG-CE1 3.74Å; Y24-V499 CarbonylContact C-O 3.42Å; Y24-V499 WeakPolarHBondContact CA-O 3.36Å; Y24-V499 WeakPolarHBondContact CB-O 3.5Å
25G98.7Very high96.6Very high0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-134133.5162.500000109.2E15 E469 V499E15-G25 CarbonylContact O-C 3.44Å; E15-G25 WeakPolarHBondContact O-CA 3.45Å; G25-E469 VanDerWaalsContact N-CB 3.31Å; G25-V499 PolarHBondContact N-O 3.34Å; G25-V499 PolarHBondContact O-N 3.26Å
26A98.8Very high96.5Very high0 Ų038.4 Ų38.40%019%0.193CC..EExtended strand (participates in β ladder)trans-124.5140.2178.900000110S14 E15 Y24 V497 I498S14-A26 WeakPolarHBondContact CA-O 3.19Å; E15-A26 PolarHBondContact N-O 3.23Å; E15-A26 PolarHBondContact O-N 3.13Å; Y24-A26 HydrophobicContact CD2-CB 4.45Å; A26-V497 CarbonylContact C-O 3.54Å; A26-V497 VanDerWaalsContact CA-O 3.27Å; A26-V497 WeakPolarHBondContact CA-O 3.45Å; A26-I498 HydrophobicContact CB-CB 4.47Å; A26-I498 HydrophobicContact CB-CG1 3.99Å; A26-I498 HydrophobicContact CB-CG2 4.4Å
27V98.8Very high96.4Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-138.8133.2177.8176.30000109.8K12 V13 V470 A473 A474 T496 V497K12-V27 HydrophobicContact CB-CG1 4.07Å; K12-V27 HydrophobicContact CD-CG1 4Å; K12-V27 HydrophobicContact CG-CG1 4Å; V13-V27 WeakPolarHBondContact O-CA 3.5Å; V27-V470 HydrophobicContact CG2-CG2 4.07Å; V27-A473 HydrophobicContact CB-CB 4.04Å; V27-A473 HydrophobicContact CG2-CB 3.62Å; V27-A474 HydrophobicContact CG2-CB 4.14Å; V27-T496 VanDerWaalsContact O-CA 3.32Å; V27-T496 WeakPolarHBondContact O-CA 3.48Å; V27-V497 PolarHBondContact N-O 2.92Å; V27-V497 PolarHBondContact O-N 3.28Å
28S98.5Very high96.4Very high10 Ų1034.1 Ų34.17%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-117.7136.4166.6-68.40000110.4K12 V13 H40 M495 T496K12-S28 WeakPolarHBondContact CA-O 3.32Å; V13-S28 PolarHBondContact N-O 3.26Å; V13-S28 PolarHBondContact O-N 3.48Å; S28-H40 PolarHBondContact OG-CE1 3.41Å; S28-H40 VanDerWaalsContact OG-CE1 3.29Å; S28-H40 PolarHBondContact OG-ND1 3.23Å; S28-M495 CarbonylContact C-O 3.45Å; S28-M495 VanDerWaalsContact CA-O 3.3Å; S28-M495 WeakPolarHBondContact CA-O 3.4Å; S28-T496 WeakPolarHBondContact CB-OG1 3.37Å; S28-T496 VanDerWaalsContact OG-CG2 3.23Å; S28-T496 WeakPolarHBondContact OG-CG2 3.17Å; S28-T496 PolarHBondContact OG-OG1 3.49Å
29M98.3Very high96.5Very high1 Ų128 Ų281%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-139.6130.1178.7-174.5174.973.800109.6K12 Q36 C477 L481 M495K12-M29 HydrophobicContact CG-CB 4.35Å; K12-M29 HydrophobicContact CG-CG 4.41Å; K12-M29 HydrophobicContact CG-SD 4.33Å; M29-Q36 PolarHBondContact O-NE2 3.01Å; M29-C477 HydrophobicContact CB-CB 4.49Å; M29-C477 HydrophobicContact CE-CB 3.87Å; M29-C477 WeakPolarHBondContact CE-O 3.46Å; M29-C477 HydrophobicContact SD-CB 4.33Å; M29-L481 HydrophobicContact CE-CB 3.96Å; M29-L481 HydrophobicContact CE-CD1 4.17Å; M29-L481 HydrophobicContact CE-CD2 4.09Å; M29-L481 HydrophobicContact CE-CG 4.29Å; M29-M495 HydrophobicContact CE-CE 3.32Å; M29-M495 HydrophobicContact CE-SD 3.94Å; M29-M495 PolarHBondContact N-O 3.49Å; M29-M495 PolarHBondContact O-N 3.35Å
30Q98Very high96.7Very high33 Ų3328.9 Ų28.915%0.15414%0.142CC..EExtended strand (participates in β ladder)trans-68.6-38.3-175.7178.3176-2100112.8N9 R33 I34 Q36 N494N9-Q30 HydrophobicContact CB-CB 4.07Å; N9-Q30 HydrophobicContact CB-CG 4.3Å; N9-Q30 PolarHBondContact ND2-OE1 3.22Å; N9-Q30 VanDerWaalsContact ND2-OE1 3.16Å; Q30-R33 PolarHBondContact NE2-O 3.37Å; Q30-I34 VanDerWaalsContact NE2-C 3.31Å; Q30-I34 PolarHBondContact NE2-O 3.24Å; Q30-I34 VanDerWaalsContact NE2-O 3.13Å; Q30-Q36 HydrophobicContact CB-CB 4.1Å; Q30-Q36 HydrophobicContact CG-CB 4.13Å; Q30-N494 WeakPolarHBondContact O-CA 3.32Å; Q30-N494 PolarHBondContact O-ND2 3.26Å
31G97Very high97Very high0 Ų023.8 Ų23.80%011%0.114CC..EExtended strand (participates in β ladder)trans69-136-179.500000112P8 N9P8-G31 CarbonylContact C-O 3.56Å; P8-G31 WeakPolarHBondContact CA-O 3.21Å; N9-G31 PolarHBondContact N-O 3.1Å; N9-G31 PolarHBondContact O-N 3.38Å
32W96.9Very high97.2Very high20 Ų2022.2 Ų22.28%0.07611%0.109CC..EExtended strand (participates in β ladder)trans-88.3-13.8-171.9-72.893.7000114.8Y4 L5 P8 S482 T485 C492Y4-W32 CarbonylContact C-O 3.54Å; Y4-W32 VanDerWaalsContact CA-O 3.28Å; Y4-W32 WeakPolarHBondContact CA-O 3.27Å; Y4-W32 HydrophobicContact CD1-CB 3.88Å; Y4-W32 HydrophobicContact CE1-CB 4.5Å; Y4-W32 HydrophobicContact CG-CB 4.5Å; L5-W32 PolarHBondContact N-O 2.88Å; P8-W32 HydrophobicContact CB-CD2 3.8Å; P8-W32 HydrophobicContact CB-CE3 4.38Å; P8-W32 HydrophobicContact CB-CG 3.93Å; P8-W32 HydrophobicContact CB-CZ2 4.43Å; P8-W32 HydrophobicContact CG-CD2 4.17Å; P8-W32 HydrophobicContact CG-CH2 4.42Å; P8-W32 HydrophobicContact CG-CZ2 3.89Å; W32-S482 PolarHBondContact NE1-O 3.29Å; W32-T485 HydrophobicContact CB-CG2 4.08Å; W32-T485 HydrophobicContact CD2-CG2 3.4Å; W32-T485 VanDerWaalsContact CD2-CG2 3.4Å; W32-T485 HydrophobicContact CE3-CG2 3.26Å; W32-T485 HydrophobicContact CG-CG2 3.81Å; W32-T485 HydrophobicContact CH2-CG2 4.32Å; W32-T485 HydrophobicContact CZ2-CG2 4.46Å; W32-T485 HydrophobicContact CZ3-CG2 3.75Å; W32-C492 HydrophobicContact CB-CB 3.97Å; W32-C492 HydrophobicContact CG-CB 4.24Å
33R94.5Very high97.2Very high66 Ų6624.7 Ų24.725%0.24912%0.122CC..EExtended strand (participates in β ladder)trans-67.1150.9180-60.1-62-172.282-7.4111.3L5 Q30 S35 C492 D493L5-R33 VanDerWaalsContact CD1-O 3.31Å; L5-R33 WeakPolarHBondContact CD1-O 3.42Å; L5-R33 WeakPolarHBondContact CG-O 3.36Å; Q30-R33 PolarHBondContact NE2-O 3.37Å; R33-S35 VanDerWaalsContact C-N 3.26Å; R33-S35 WeakPolarHBondContact CB-O 3.5Å; R33-S35 PolarHBondContact O-N 3.1Å; R33-C492 PolarHBondContact NE-O 3.11Å; R33-D493 IonicContact CZ-OD1 3.55Å; R33-D493 IonicContact CZ-OD2 3.52Å; R33-D493 IonicContact NE-OD1 3.45Å; R33-D493 PolarHBondContact NE-OD1 2.84Å; R33-D493 IonicContact NH1-OD1 3.63Å; R33-D493 PolarHBondContact NH1-OD1 3.43Å; R33-D493 IonicContact NH1-OD2 3.96Å; R33-D493 IonicContact NH2-OD1 2.67Å; R33-D493 PolarHBondContact NH2-OD1 2.86Å; R33-D493 IonicContact NH2-OD2 3.76Å; R33-D493 PolarHBondContact NH2-OD2 2.92Å
34I93.4Very high97.2Very high73 Ų7324 Ų2437%0.37412%0.121SC..SBendtrans-67.4-25.6178.356.4168.6000113.4A3 L5 Q30 I127A3-I34 HydrophobicContact CB-CG2 4Å; A3-I34 WeakPolarHBondContact O-CG2 3.45Å; L5-I34 HydrophobicContact CD2-CG2 4.22Å; Q30-I34 VanDerWaalsContact NE2-C 3.31Å; Q30-I34 PolarHBondContact NE2-O 3.24Å; Q30-I34 VanDerWaalsContact NE2-O 3.13Å; I34-I127 HydrophobicContact CB-CD1 4.21Å; I34-I127 HydrophobicContact CD1-CD1 4.03Å; I34-I127 HydrophobicContact CG2-CD1 3.84Å
35S93.9Very high97Very high32 Ų3228.1 Ų28.122%0.22414%0.143CC..SBendtrans-127.9157.9178.845.30000110.3R33 E37 N494R33-S35 VanDerWaalsContact C-N 3.26Å; R33-S35 WeakPolarHBondContact CB-O 3.5Å; R33-S35 PolarHBondContact O-N 3.1Å; S35-E37 PolarHBondContact OG-OE1 3.49Å; S35-N494 PolarHBondContact O-ND2 3.43Å; S35-N494 PolarHBondContact O-OD1 3.49Å
36Q96.1Very high96.8Very high49 Ų4928.4 Ų28.423%0.22914%0.144CC..  trans-98.8108.4163172.456.2-68.100107.9M29 Q30 D38 N494M29-Q36 PolarHBondContact O-NE2 3.01Å; Q30-Q36 HydrophobicContact CB-CB 4.1Å; Q30-Q36 HydrophobicContact CG-CB 4.13Å; Q36-D38 VanDerWaalsContact OE1-CB 3.28Å; Q36-N494 PolarHBondContact OE1-ND2 3.36Å; Q36-N494 PolarHBondContact OE1-OD1 2.81Å; Q36-N494 VanDerWaalsContact OE1-OD1 3.11Å
37E95.5Very high96.6Very high34 Ų3430.3 Ų30.316%0.15916%0.155CC..  trans-101.3-11.4-179-55.6-169.2166.700112.5S35 G59 H60 G61 A63 A66 N494S35-E37 PolarHBondContact OG-OE1 3.49Å; E37-G59 WeakPolarHBondContact O-CA 3.45Å; E37-G59 PolarHBondContact O-N 2.67Å; E37-H60 VanDerWaalsContact OE2-CA 3.29Å; E37-H60 WeakPolarHBondContact OE2-CA 3.25Å; E37-G61 PolarHBondContact OE2-N 3.25Å; E37-A63 HydrophobicContact CB-CB 4.41Å; E37-A63 HydrophobicContact CG-CB 4.5Å; E37-A66 VanDerWaalsContact O-CB 3.24Å; E37-A66 WeakPolarHBondContact O-CB 3.47Å; E37-N494 PolarHBondContact N-OD1 3.36Å
38D98.2Very high96Very high10 Ų1032.7 Ų32.75%0.05318%0.179CC..  trans-68.9148.6173.7-68.4-9.4000112.3Q36 Y57 C443 T496Q36-D38 VanDerWaalsContact OE1-CB 3.28Å; D38-Y57 CarbonylContact C-O 3.59Å; D38-Y57 VanDerWaalsContact CA-O 3.28Å; D38-Y57 WeakPolarHBondContact CA-O 3.37Å; D38-C443 PolarHBondContact OD2-SG 3.45Å; D38-T496 WeakPolarHBondContact CB-OG1 3.39Å; D38-T496 VanDerWaalsContact OD2-CB 3.24Å; D38-T496 WeakPolarHBondContact OD2-CB 3.48Å; D38-T496 PolarHBondContact OD2-N 3.27Å; D38-T496 PolarHBondContact OD2-OG1 3.47Å
39A98.2Very high95.3Very high11 Ų1137.1 Ų37.19%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-137.2164.4163.700000111Y57 A66 Q67 A70A39-Y57 HydrophobicContact CB-CD2 4.44Å; A39-Y57 PolarHBondContact N-O 2.89Å; A39-Y57 PolarHBondContact O-N 3.38Å; A39-A66 HydrophobicContact CB-CB 4.01Å; A39-A66 WeakPolarHBondContact CB-O 3.29Å; A39-Q67 HydrophobicContact CB-CG 4.43Å; A39-A70 HydrophobicContact CB-CB 3.77Å
40H98.6Very high94.7Very high35 Ų3541.7 Ų41.716%0.16223%0.226CC..EExtended strand (participates in β ladder)trans-152165.8174.764-88000111.6S28 A55 T496 I498S28-H40 PolarHBondContact OG-CE1 3.41Å; S28-H40 VanDerWaalsContact OG-CE1 3.29Å; S28-H40 PolarHBondContact OG-ND1 3.23Å; H40-A55 WeakPolarHBondContact CA-O 2.86Å; H40-A55 WeakPolarHBondContact CB-O 3.27Å; H40-T496 HydrophobicContact CB-CG2 3.9Å; H40-I498 HydrophobicContact CB-CD1 4.32Å
41N96.8Very high94.6Very high14 Ų1440.1 Ų40.18%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-142.8149.816557.250.2000111.4F53 F54 A55 Y57 A70 P74N41-F53 WeakPolarHBondContact OD1-CD1 3.42Å; N41-F53 WeakPolarHBondContact OD1-CE1 3.25Å; N41-F54 WeakPolarHBondContact O-CA 3.21Å; N41-A55 PolarHBondContact N-O 2.8Å; N41-A55 VanDerWaalsContact N-O 3.07Å; N41-A55 PolarHBondContact O-N 3.4Å; N41-A55 PolarHBondContact OD1-N 2.75Å; N41-Y57 WeakPolarHBondContact ND2-CE2 3.37Å; N41-Y57 PolarHBondContact ND2-OH 3.13Å; N41-A70 PolarHBondContact ND2-O 3.02Å; N41-A70 VanDerWaalsContact ND2-O 3.08Å; N41-P74 WeakPolarHBondContact ND2-CG 3.44Å
42C98.2Very high94.7Very high12 Ų1240.5 Ų40.58%0.08122%0.222CC..EExtended strand (participates in β ladder)trans-135.499.1178.2-61.40000110Y24 F54Y24-C42 HydrophobicContact CD2-CB 3.69Å; Y24-C42 HydrophobicContact CE1-CB 4.06Å; Y24-C42 HydrophobicContact CE2-CB 3.17Å; Y24-C42 VanDerWaalsContact CE2-SG 3.58Å; Y24-C42 HydrophobicContact CG-CB 4.33Å; C42-F54 HydrophobicContact CB-CD1 3.83Å; C42-F54 HydrophobicContact CB-CE1 4.03Å
43I97.8Very high94.7Very high53 Ų5339.6 Ų39.627%0.27222%0.218SC..EExtended strand (participates in β ladder)trans-116.5105.2-173-46.5173.6000109.8N45 F46 C52 F53 P74I43-N45 PolarHBondContact O-N 2.72Å; I43-F46 HydrophobicContact CD1-CD2 4.09Å; I43-F46 HydrophobicContact CD1-CE2 4.5Å; I43-F46 HydrophobicContact CG2-CB 4.19Å; I43-F46 HydrophobicContact CG2-CD2 4.36Å; I43-C52 CarbonylContact O-C 3.54Å; I43-C52 VanDerWaalsContact O-CA 3.23Å; I43-C52 WeakPolarHBondContact O-CA 3.36Å; I43-F53 HydrophobicContact CB-CB 4.22Å; I43-F53 HydrophobicContact CD1-CD1 4.33Å; I43-F53 PolarHBondContact N-O 2.94Å; I43-F53 PolarHBondContact O-N 2.81Å; I43-P74 HydrophobicContact CD1-CB 3.69Å; I43-P74 HydrophobicContact CD1-CG 3.9Å
44L96.4Very high94.9Very high40 Ų4036.5 Ų36.521%0.20921%0.206CC..THydrogen-bonded Turntrans-74-23.6-176.1-71.7170.7000115.6K18 V22 Y24 C52 F54K18-L44 VanDerWaalsContact C-CD1 3.41Å; V22-L44 HydrophobicContact CG2-CD2 3.57Å; Y24-L44 HydrophobicContact CD1-CD1 4.38Å; Y24-L44 HydrophobicContact CD1-CD2 3.82Å; Y24-L44 HydrophobicContact CD1-CG 4.15Å; Y24-L44 HydrophobicContact CE1-CD1 3.78Å; Y24-L44 HydrophobicContact CE1-CD2 3.91Å; Y24-L44 HydrophobicContact CE1-CG 3.7Å; L44-C52 PolarHBondContact O-SG 3.4Å; L44-F54 HydrophobicContact CD2-CZ 4.17Å
45N93.7Very high95.2Very high97 Ų9733 Ų3352%0.51919%0.188SC..THydrogen-bonded Turntrans-134.263.9179.9-172.627.1000109.7I43 D47 G48 C51I43-N45 PolarHBondContact O-N 2.72Å; N45-D47 VanDerWaalsContact C-N 3.33Å; N45-D47 PolarHBondContact O-N 3.49Å; N45-G48 VanDerWaalsContact OD1-C 3.26Å; N45-G48 WeakPolarHBondContact OD1-CA 2.95Å; N45-G48 PolarHBondContact OD1-N 3.34Å; N45-G48 VanDerWaalsContact OD1-N 3.14Å; N45-C51 CarbonylContact C-O 3.47Å; N45-C51 WeakPolarHBondContact CA-O 3.29Å
46F96.2Very high95.4Very high6 Ų631.5 Ų31.53%0.02618%0.178CC..SBendtrans-57.3-42.7-169.6177.6-131.8000113.4I43 C51 F53 P74 L77 K78 W83I43-F46 HydrophobicContact CD1-CD2 4.09Å; I43-F46 HydrophobicContact CD1-CE2 4.5Å; I43-F46 HydrophobicContact CG2-CB 4.19Å; I43-F46 HydrophobicContact CG2-CD2 4.36Å; F46-C51 HydrophobicContact CB-CB 4.48Å; F46-C51 VanDerWaalsContact CB-O 3.29Å; F46-C51 WeakPolarHBondContact CB-O 3.35Å; F46-C51 PolarHBondContact N-O 3.46Å; F46-F53 HydrophobicContact CB-CB 3.87Å; F46-F53 HydrophobicContact CD1-CB 3.97Å; F46-F53 HydrophobicContact CD1-CD2 4.06Å; F46-F53 HydrophobicContact CD1-CG 4.43Å; F46-F53 HydrophobicContact CD2-CB 3.87Å; F46-F53 HydrophobicContact CD2-CD2 4.41Å; F46-F53 HydrophobicContact CD2-CG 4.26Å; F46-F53 HydrophobicContact CE1-CB 4.46Å; F46-F53 AromaticContact CE1-CD2 3.73Å; F46-F53 HydrophobicContact CE1-CD2 3.73Å; F46-F53 HydrophobicContact CE1-CE2 4.47Å; F46-F53 HydrophobicContact CE1-CG 4.45Å; F46-F53 HydrophobicContact CE2-CB 4.42Å; F46-F53 HydrophobicContact CE2-CD2 4.16Å; F46-F53 HydrophobicContact CE2-CG 4.34Å; F46-F53 HydrophobicContact CG-CB 3.63Å; F46-F53 HydrophobicContact CG-CD2 4.38Å; F46-F53 HydrophobicContact CG-CG 4.33Å; F46-F53 AromaticContact CZ-CD2 3.76Å; F46-F53 HydrophobicContact CZ-CD2 3.76Å; F46-F53 HydrophobicContact CZ-CE2 4.27Å; F46-F53 HydrophobicContact CZ-CG 4.38Å; F46-P74 HydrophobicContact CD2-CB 4.29Å; F46-P74 HydrophobicContact CE2-CB 3.45Å; F46-P74 VanDerWaalsContact CE2-CB 3.45Å; F46-P74 WeakPolarHBondContact CE2-O 3.32Å; F46-P74 HydrophobicContact CZ-CB 4.15Å; F46-P74 WeakPolarHBondContact CZ-O 3.4Å; F46-L77 HydrophobicContact CE1-CD2 4.33Å; F46-L77 HydrophobicContact CZ-CD2 4.35Å; F46-K78 HydrophobicContact CD2-CD 4.11Å; F46-K78 HydrophobicContact CE1-CD 4.35Å; F46-K78 HydrophobicContact CE1-CG 3.88Å; F46-K78 HydrophobicContact CE2-CD 3.7Å; F46-K78 HydrophobicContact CE2-CG 3.84Å; F46-K78 HydrophobicContact CZ-CD 3.88Å; F46-K78 HydrophobicContact CZ-CG 3.47Å; F46-K78 VanDerWaalsContact CZ-CG 3.47Å; F46-K78 WeakPolarHBondContact O-CD 3.35Å; F46-K78 PolarHBondContact O-NZ 3.28Å; F46-W83 AromaticContact CD1-CH2 3.71Å; F46-W83 HydrophobicContact CD1-CH2 3.71Å; F46-W83 AromaticContact CD1-CZ2 3.55Å; F46-W83 HydrophobicContact CD1-CZ2 3.55Å; F46-W83 AromaticContact CE1-CH2 3.39Å; F46-W83 HydrophobicContact CE1-CH2 3.39Å; F46-W83 AromaticContact CE1-CZ2 3.34Å; F46-W83 HydrophobicContact CE1-CZ2 3.34Å; F46-W83 HydrophobicContact CE1-CZ3 4.11Å
47D93.2Very high95.5Very high41 Ų4129.1 Ų29.122%0.21917%0.167CC..SBendtrans-131.512.4-175.984.4-24.8000114.9N45 N49 C51 K78 W83 R322N45-D47 VanDerWaalsContact C-N 3.33Å; N45-D47 PolarHBondContact O-N 3.49Å; D47-N49 PolarHBondContact OD1-N 2.88Å; D47-C51 WeakPolarHBondContact OD1-CB 3.41Å; D47-K78 HydrophobicContact CB-CD 4.35Å; D47-W83 HydrophobicContact CB-CZ2 4.34Å; D47-R322 IonicContact OD1-NH2 3.61Å; D47-R322 IonicContact OD2-CZ 2.76Å; D47-R322 IonicContact OD2-NH1 2.62Å; D47-R322 IonicContact OD2-NH2 3.28Å; D47-R322 PolarHBondContact OD2-NH2 2.9Å
48G86.7Confident95.6Very high49 Ų4928.2 Ų28.251%0.50516%0.163SC..SBendtrans90.5-7.4177.200000115.8N45N45-G48 VanDerWaalsContact OD1-C 3.26Å; N45-G48 WeakPolarHBondContact OD1-CA 2.95Å; N45-G48 PolarHBondContact OD1-N 3.34Å; N45-G48 VanDerWaalsContact OD1-N 3.14Å
49N83.1Confident95.5Very high103 Ų10328 Ų2855%0.55116%0.163SC*.SBendtrans-115.946.5-173.5-58.3-56.4000113D47 C51D47-N49 PolarHBondContact OD1-N 2.88Å; N49-C51 PolarHBondContact O-N 2.9Å
50D87.2Confident95Very high98 Ų9828.9 Ų28.952%0.52417%0.165SC..SBendtrans5323.1-174-72.7-32.3000113.5N20N20-D50 PolarHBondContact ND2-OD1 2.92Å
51C95.7Very high94.4Very high0 Ų029.9 Ų29.90%019%0.185CC..  trans-82.8123.7175.7-168.90000108.8N45 F46 D47 N49 L321N45-C51 CarbonylContact C-O 3.47Å; N45-C51 WeakPolarHBondContact CA-O 3.29Å; F46-C51 HydrophobicContact CB-CB 4.48Å; F46-C51 VanDerWaalsContact CB-O 3.29Å; F46-C51 WeakPolarHBondContact CB-O 3.35Å; F46-C51 PolarHBondContact N-O 3.46Å; D47-C51 WeakPolarHBondContact OD1-CB 3.41Å; N49-C51 PolarHBondContact O-N 2.9Å; C51-L321 CarbonylContact C-O 3.52Å; C51-L321 VanDerWaalsContact CA-O 3.28Å; C51-L321 WeakPolarHBondContact CA-O 3.38Å
52C97.9Very high93.9Very high8 Ų829.8 Ų29.85%0.05419%0.187CC..EExtended strand (participates in β ladder)trans-100.3150.4172.2-52.60000110.5I43 L44 F54 V320 L321I43-C52 CarbonylContact O-C 3.54Å; I43-C52 VanDerWaalsContact O-CA 3.23Å; I43-C52 WeakPolarHBondContact O-CA 3.36Å; L44-C52 PolarHBondContact O-SG 3.4Å; C52-F54 HydrophobicContact CB-CD2 4.24Å; C52-F54 HydrophobicContact CB-CE2 3.48Å; C52-F54 VanDerWaalsContact CB-CE2 3.48Å; C52-F54 HydrophobicContact CB-CZ 3.99Å; C52-V320 WeakPolarHBondContact O-CA 3.27Å; C52-L321 HydrophobicContact CB-CB 4.19Å; C52-L321 PolarHBondContact N-O 3.18Å; C52-L321 PolarHBondContact O-N 2.93Å
53F98.3Very high93.6Very high0 Ų029.6 Ų29.60%019%0.186CC..EExtended strand (participates in β ladder)trans-132.3122.4174.9-175.1-74.8000108.6N41 I43 F46 A55 F73 P74 L77 V318 V319 V320N41-F53 WeakPolarHBondContact OD1-CD1 3.42Å; N41-F53 WeakPolarHBondContact OD1-CE1 3.25Å; I43-F53 HydrophobicContact CB-CB 4.22Å; I43-F53 HydrophobicContact CD1-CD1 4.33Å; I43-F53 PolarHBondContact N-O 2.94Å; I43-F53 PolarHBondContact O-N 2.81Å; F46-F53 HydrophobicContact CB-CB 3.87Å; F46-F53 HydrophobicContact CD1-CB 3.97Å; F46-F53 HydrophobicContact CD1-CD2 4.06Å; F46-F53 HydrophobicContact CD1-CG 4.43Å; F46-F53 HydrophobicContact CD2-CB 3.87Å; F46-F53 HydrophobicContact CD2-CD2 4.41Å; F46-F53 HydrophobicContact CD2-CG 4.26Å; F46-F53 HydrophobicContact CE1-CB 4.46Å; F46-F53 AromaticContact CE1-CD2 3.73Å; F46-F53 HydrophobicContact CE1-CD2 3.73Å; F46-F53 HydrophobicContact CE1-CE2 4.47Å; F46-F53 HydrophobicContact CE1-CG 4.45Å; F46-F53 HydrophobicContact CE2-CB 4.42Å; F46-F53 HydrophobicContact CE2-CD2 4.16Å; F46-F53 HydrophobicContact CE2-CG 4.34Å; F46-F53 HydrophobicContact CG-CB 3.63Å; F46-F53 HydrophobicContact CG-CD2 4.38Å; F46-F53 HydrophobicContact CG-CG 4.33Å; F46-F53 AromaticContact CZ-CD2 3.76Å; F46-F53 HydrophobicContact CZ-CD2 3.76Å; F46-F53 HydrophobicContact CZ-CE2 4.27Å; F46-F53 HydrophobicContact CZ-CG 4.38Å; F53-A55 HydrophobicContact CE1-CB 3.78Å; F53-A55 HydrophobicContact CZ-CB 4.42Å; F53-F73 AromaticContact CZ-CD1 3.94Å; F53-F73 HydrophobicContact CZ-CD1 3.94Å; F53-F73 HydrophobicContact CZ-CE1 4.2Å; F53-P74 HydrophobicContact CD1-CG 4.3Å; F53-P74 HydrophobicContact CE1-CB 4.44Å; F53-P74 HydrophobicContact CE1-CG 3.92Å; F53-P74 HydrophobicContact CZ-CG 4.31Å; F53-L77 HydrophobicContact CD2-CD2 4.35Å; F53-L77 HydrophobicContact CE2-CD2 3.73Å; F53-V318 HydrophobicContact CD2-CG1 4.31Å; F53-V318 HydrophobicContact CE1-CG1 4.17Å; F53-V318 HydrophobicContact CE2-CG1 3.48Å; F53-V318 VanDerWaalsContact CE2-CG1 3.48Å; F53-V318 HydrophobicContact CZ-CB 4.44Å; F53-V318 HydrophobicContact CZ-CG1 3.39Å; F53-V318 HydrophobicContact CZ-CG2 4.2Å; F53-V319 CarbonylContact C-O 3.56Å; F53-V319 WeakPolarHBondContact CA-O 3.29Å; F53-V320 HydrophobicContact CD2-CG2 3.81Å; F53-V320 HydrophobicContact CE2-CG2 4.18Å
54F98.7Very high93.3Very high1 Ų128.1 Ų28.10%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-129.1138.8176.1-56.5-82.6000108.9V22 Y24 N41 C42 L44 C52 V319 I441 I498 V500V22-F54 HydrophobicContact CG2-CZ 4.24Å; Y24-F54 AromaticContact CD1-CE1 3.74Å; Y24-F54 HydrophobicContact CD1-CE1 3.74Å; Y24-F54 HydrophobicContact CD1-CZ 4.29Å; Y24-F54 HydrophobicContact CD2-CE1 4.39Å; Y24-F54 HydrophobicContact CE1-CE1 4.36Å; Y24-F54 AromaticContact CG-CE1 3.74Å; Y24-F54 HydrophobicContact CG-CE1 3.74Å; N41-F54 WeakPolarHBondContact O-CA 3.21Å; C42-F54 HydrophobicContact CB-CD1 3.83Å; C42-F54 HydrophobicContact CB-CE1 4.03Å; L44-F54 HydrophobicContact CD2-CZ 4.17Å; C52-F54 HydrophobicContact CB-CD2 4.24Å; C52-F54 HydrophobicContact CB-CE2 3.48Å; C52-F54 VanDerWaalsContact CB-CE2 3.48Å; C52-F54 HydrophobicContact CB-CZ 3.99Å; F54-V319 HydrophobicContact CB-CB 4.42Å; F54-V319 PolarHBondContact N-O 3.23Å; F54-V319 PolarHBondContact O-N 2.92Å; F54-I441 HydrophobicContact CB-CD1 3.48Å; F54-I441 VanDerWaalsContact CB-CD1 3.48Å; F54-I441 HydrophobicContact CG-CD1 4.49Å; F54-I498 HydrophobicContact CB-CD1 4.29Å; F54-I498 HydrophobicContact CD1-CG2 4.12Å; F54-V500 HydrophobicContact CD1-CG2 4.09Å; F54-V500 HydrophobicContact CD2-CG2 4.12Å; F54-V500 HydrophobicContact CE1-CG2 4.06Å; F54-V500 HydrophobicContact CE2-CG1 3.94Å; F54-V500 HydrophobicContact CE2-CG2 4.07Å; F54-V500 HydrophobicContact CG-CG2 4.12Å; F54-V500 HydrophobicContact CZ-CG1 3.99Å; F54-V500 HydrophobicContact CZ-CG2 4.04Å
55A98.8Very high93.1Very high0 Ų026.2 Ų26.20%017%0.168CC..EExtended strand (participates in β ladder)trans-151.2145177.600000112.4H40 N41 F53 Y57 C317 V318H40-A55 WeakPolarHBondContact CA-O 2.86Å; H40-A55 WeakPolarHBondContact CB-O 3.27Å; N41-A55 PolarHBondContact N-O 2.8Å; N41-A55 VanDerWaalsContact N-O 3.07Å; N41-A55 PolarHBondContact O-N 3.4Å; N41-A55 PolarHBondContact OD1-N 2.75Å; F53-A55 HydrophobicContact CE1-CB 3.78Å; F53-A55 HydrophobicContact CZ-CB 4.42Å; A55-Y57 HydrophobicContact CB-CD2 4.38Å; A55-Y57 HydrophobicContact CB-CE1 4.31Å; A55-Y57 HydrophobicContact CB-CE2 3.51Å; A55-Y57 VanDerWaalsContact CB-CZ 3.48Å; A55-Y57 WeakPolarHBondContact CB-OH 3.36Å; A55-C317 WeakPolarHBondContact CA-O 2.94Å; A55-V318 HydrophobicContact CB-CB 4.41Å; A55-V318 HydrophobicContact CB-CG2 3.82Å
56V98.8Very high93.2Very high0 Ų021.6 Ų21.60%014%0.143CC..EExtended strand (participates in β ladder)trans-114.9135166.1176.40000108.4C317 I441 C443 T496 I498V56-C317 PolarHBondContact N-O 3.14Å; V56-C317 PolarHBondContact O-N 3.45Å; V56-I441 HydrophobicContact CB-CG2 4.04Å; V56-I441 HydrophobicContact CG2-CB 4.2Å; V56-I441 HydrophobicContact CG2-CG2 3.71Å; V56-C443 HydrophobicContact CG1-CB 4.02Å; V56-T496 HydrophobicContact CG1-CG2 3.99Å; V56-T496 HydrophobicContact CG2-CG2 4.04Å; V56-I498 HydrophobicContact CG2-CD1 3.76Å; V56-I498 HydrophobicContact CG2-CG1 3.92Å
57Y98.5Very high93.2Very high0 Ų024.1 Ų24.10%016%0.156CC..EExtended strand (participates in β ladder)trans-124110.1179.3-53-85000108D38 A39 N41 A55 A69 A70 T314 T315 A316D38-Y57 CarbonylContact C-O 3.59Å; D38-Y57 VanDerWaalsContact CA-O 3.28Å; D38-Y57 WeakPolarHBondContact CA-O 3.37Å; A39-Y57 HydrophobicContact CB-CD2 4.44Å; A39-Y57 PolarHBondContact N-O 2.89Å; A39-Y57 PolarHBondContact O-N 3.38Å; N41-Y57 WeakPolarHBondContact ND2-CE2 3.37Å; N41-Y57 PolarHBondContact ND2-OH 3.13Å; A55-Y57 HydrophobicContact CB-CD2 4.38Å; A55-Y57 HydrophobicContact CB-CE1 4.31Å; A55-Y57 HydrophobicContact CB-CE2 3.51Å; A55-Y57 VanDerWaalsContact CB-CZ 3.48Å; A55-Y57 WeakPolarHBondContact CB-OH 3.36Å; Y57-A69 HydrophobicContact CD1-CB 3.61Å; Y57-A69 HydrophobicContact CE1-CB 3.59Å; Y57-A69 HydrophobicContact CG-CB 4.21Å; Y57-A70 HydrophobicContact CD2-CB 3.87Å; Y57-A70 HydrophobicContact CE2-CB 3.83Å; Y57-T314 WeakPolarHBondContact CB-OG1 3.15Å; Y57-T315 WeakPolarHBondContact CA-O 3.48Å; Y57-A316 HydrophobicContact CD1-CB 3.78Å; Y57-A316 HydrophobicContact CE1-CB 3.92Å
58D97.7Very high93.2Very high15 Ų1522.2 Ų22.28%0.0815%0.145CC..  trans-93.3107.4177.6-171.5-27.5000108.3T314 T315 C443D58-T314 VanDerWaalsContact C-OG1 3.26Å; D58-T314 PolarHBondContact N-OG1 3.09Å; D58-T314 CarbonylContact O-C 3.55Å; D58-T314 WeakPolarHBondContact O-CA 3.18Å; D58-T314 PolarHBondContact O-OG1 2.84Å; D58-T315 HydrophobicContact CB-CG2 4Å; D58-T315 WeakPolarHBondContact CB-OG1 3.26Å; D58-T315 PolarHBondContact N-OG1 2.78Å; D58-T315 VanDerWaalsContact N-OG1 3.1Å; D58-T315 PolarHBondContact O-N 3.08Å; D58-C443 HydrophobicContact CB-CB 3.98Å; D58-C443 WeakPolarHBondContact OD2-CB 3.41Å
59G94.3Very high93.7Very high4 Ų419.9 Ų19.94%0.04112%0.121CC..EExtended strand (participates in β ladder)trans-79.4149.9-176.400000112.4E37 G313E37-G59 WeakPolarHBondContact O-CA 3.45Å; E37-G59 PolarHBondContact O-N 2.67Å; G59-G313 WeakPolarHBondContact CA-O 3.11Å
60H89.4Confident94.4Very high31 Ų3115.8 Ų15.814%0.14410%0.102CC..EExtended strand (participates in β ladder)trans-140.8144169.655-92.5000110.6E37 G62 S312 G313 L381 T387E37-H60 VanDerWaalsContact OE2-CA 3.29Å; E37-H60 WeakPolarHBondContact OE2-CA 3.25Å; H60-G62 PolarHBondContact O-N 3.07Å; H60-S312 CarbonylContact O-C 3.57Å; H60-S312 WeakPolarHBondContact O-CA 3.1Å; H60-G313 PolarHBondContact N-O 3.26Å; H60-G313 WeakPolarHBondContact NE2-CA 3.41Å; H60-G313 PolarHBondContact O-N 3.21Å; H60-L381 VanDerWaalsContact CE1-CD1 3.5Å; H60-L381 WeakPolarHBondContact CE1-CD1 3.48Å; H60-L381 WeakPolarHBondContact ND1-CD1 3.45Å; H60-T387 WeakPolarHBondContact NE2-CG2 3.34Å
61G84.5Confident94.8Very high56 Ų5615.2 Ų15.258%0.57710%0.096SC*.SBendtrans71.710.2-179.900000113.5E37E37-G61 PolarHBondContact OE2-N 3.25Å
62G86.6Confident94.8Very high11 Ų1118.3 Ų18.311%0.11311%0.11CC..  trans142.7146.3-174.900000112.3H60 E64H60-G62 PolarHBondContact O-N 3.07Å; G62-E64 VanDerWaalsContact C-N 3.34Å; G62-E64 VanDerWaalsContact C-OE2 3.22Å; G62-E64 WeakPolarHBondContact CA-OE2 3.3Å
63A91.6Very high94.8Very high9 Ų918 Ų187%0.07411%0.108CC..SBendtrans-80.9-12.6-178.100000113.5E37 V65 A66 Q67E37-A63 HydrophobicContact CB-CB 4.41Å; E37-A63 HydrophobicContact CG-CB 4.5Å; A63-V65 PolarHBondContact O-N 2.74Å; A63-A66 PolarHBondContact O-N 3.26Å; A63-Q67 HydrophobicContact CB-CG 4.47Å; A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 WeakPolarHBondContact O-CG 3.45Å; A63-Q67 PolarHBondContact O-N 3.42Å
64E91.4Very high94.7Very high21 Ų2118.2 Ų18.210%0.09811%0.109CC..Hα-helixtrans-59.8-40-169.553.6-102.8-13100114.7G62 F68 L112 I115 A116 P308 S312G62-E64 VanDerWaalsContact C-N 3.34Å; G62-E64 VanDerWaalsContact C-OE2 3.22Å; G62-E64 WeakPolarHBondContact CA-OE2 3.3Å; E64-F68 WeakPolarHBondContact O-CB 3.44Å; E64-F68 PolarHBondContact O-N 3.12Å; E64-L112 HydrophobicContact CB-CD2 4.42Å; E64-I115 HydrophobicContact CB-CG2 4.12Å; E64-A116 HydrophobicContact CB-CB 4.08Å; E64-A116 HydrophobicContact CG-CB 4.49Å; E64-P308 HydrophobicContact CB-CB 4.45Å; E64-P308 HydrophobicContact CG-CB 3.88Å; E64-P308 WeakPolarHBondContact OE1-CA 3.26Å; E64-S312 WeakPolarHBondContact CG-OG 3.33Å; E64-S312 PolarHBondContact OE1-OG 3.11Å
65V92.8Very high94.6Very high0 Ų022.4 Ų22.40%013%0.132CC..Hα-helixtrans-76.2-39.7-176.2-1760000109.3A63 F68 A69 L103 L112 S312 T314 I385A63-V65 PolarHBondContact O-N 2.74Å; V65-F68 PolarHBondContact O-N 2.76Å; V65-A69 WeakPolarHBondContact O-CB 3.38Å; V65-A69 PolarHBondContact O-N 2.62Å; V65-L103 HydrophobicContact CG1-CD1 4.11Å; V65-L112 HydrophobicContact CG2-CD2 4.26Å; V65-S312 VanDerWaalsContact CG2-OG 3.27Å; V65-S312 WeakPolarHBondContact CG2-OG 3.48Å; V65-T314 HydrophobicContact CB-CG2 4.34Å; V65-T314 HydrophobicContact CG1-CG2 3.72Å; V65-I385 HydrophobicContact CG1-CG2 4.07Å
66A95.7Very high94.5Very high0 Ų024.4 Ų24.40%014%0.141CC..Hα-helixtrans-61.7-49.717400000111.1E37 A39 A63 A69 A70 T314E37-A66 VanDerWaalsContact O-CB 3.24Å; E37-A66 WeakPolarHBondContact O-CB 3.47Å; A39-A66 HydrophobicContact CB-CB 4.01Å; A39-A66 WeakPolarHBondContact CB-O 3.29Å; A63-A66 PolarHBondContact O-N 3.26Å; A66-A69 PolarHBondContact O-N 2.85Å; A66-A70 WeakPolarHBondContact O-CB 3.47Å; A66-A70 PolarHBondContact O-N 2.8Å; A66-T314 WeakPolarHBondContact CB-OG1 3.43Å
67Q95.9Very high94.4Very high60 Ų6024.4 Ų24.428%0.2814%0.141SC..Hα-helixtrans-62.4-44.9177-71.9178.117.800111.8A39 A63 A69 A70 E71 I115 S119A39-Q67 HydrophobicContact CB-CG 4.43Å; A63-Q67 HydrophobicContact CB-CG 4.47Å; A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 WeakPolarHBondContact O-CG 3.45Å; A63-Q67 PolarHBondContact O-N 3.42Å; Q67-A69 PolarHBondContact O-N 3.47Å; Q67-A70 PolarHBondContact O-N 3.23Å; Q67-E71 WeakPolarHBondContact O-CG 3.28Å; Q67-E71 PolarHBondContact O-N 3.1Å; Q67-I115 HydrophobicContact CB-CG2 3.82Å; Q67-S119 PolarHBondContact OE1-OG 3.05Å
68F94.8Very high94.3Very high1 Ų127.5 Ų27.50%0.00415%0.154CC..Hα-helixtrans-62.2-42176.6-178-102.2000112.2E64 V65 E71 E72 F99 L103 F108 R111 L112 I115E64-F68 WeakPolarHBondContact O-CB 3.44Å; E64-F68 PolarHBondContact O-N 3.12Å; V65-F68 PolarHBondContact O-N 2.76Å; F68-E71 PolarHBondContact O-N 2.97Å; F68-E72 HydrophobicContact CD2-CG 3.9Å; F68-E72 HydrophobicContact CE1-CB 4.33Å; F68-E72 HydrophobicContact CE2-CB 4.1Å; F68-E72 HydrophobicContact CE2-CG 3.48Å; F68-E72 VanDerWaalsContact CE2-CG 3.48Å; F68-E72 HydrophobicContact CZ-CB 3.98Å; F68-E72 HydrophobicContact CZ-CG 3.85Å; F68-E72 WeakPolarHBondContact O-CB 3.49Å; F68-E72 PolarHBondContact O-N 3.28Å; F68-F99 AromaticContact CD1-CE1 3.98Å; F68-F99 HydrophobicContact CD1-CE1 3.98Å; F68-F99 HydrophobicContact CD1-CE2 4.33Å; F68-F99 AromaticContact CD1-CZ 3.46Å; F68-F99 HydrophobicContact CD1-CZ 3.46Å; F68-F99 VanDerWaalsContact CD1-CZ 3.46Å; F68-F99 HydrophobicContact CE1-CE1 4.04Å; F68-F99 AromaticContact CE1-CE2 3.74Å; F68-F99 HydrophobicContact CE1-CE2 3.74Å; F68-F99 AromaticContact CE1-CZ 3.3Å; F68-F99 HydrophobicContact CE1-CZ 3.3Å; F68-F99 HydrophobicContact CZ-CE2 4.47Å; F68-F99 HydrophobicContact CZ-CZ 4.34Å; F68-L103 HydrophobicContact CD1-CD2 3.59Å; F68-L103 HydrophobicContact CE1-CD2 3.6Å; F68-F108 HydrophobicContact CE1-CB 4.07Å; F68-F108 HydrophobicContact CE1-CD1 4.43Å; F68-F108 AromaticContact CE1-CD2 3.7Å; F68-F108 HydrophobicContact CE1-CD2 3.7Å; F68-F108 HydrophobicContact CE1-CE2 4.14Å; F68-F108 AromaticContact CE1-CG 3.85Å; F68-F108 HydrophobicContact CE1-CG 3.85Å; F68-F108 HydrophobicContact CE2-CB 4.44Å; F68-F108 HydrophobicContact CZ-CB 3.62Å; F68-F108 AromaticContact CZ-CD1 3.65Å; F68-F108 HydrophobicContact CZ-CD1 3.65Å; F68-F108 AromaticContact CZ-CD2 3.75Å; F68-F108 HydrophobicContact CZ-CD2 3.75Å; F68-F108 HydrophobicContact CZ-CE1 4.15Å; F68-F108 HydrophobicContact CZ-CE2 4.25Å; F68-F108 AromaticContact CZ-CG 3.41Å; F68-F108 HydrophobicContact CZ-CG 3.41Å; F68-F108 VanDerWaalsContact CZ-CG 3.41Å; F68-F108 HydrophobicContact CZ-CZ 4.42Å; F68-R111 HydrophobicContact CD2-CB 4.15Å; F68-R111 HydrophobicContact CD2-CG 3.69Å; F68-R111 HydrophobicContact CE2-CB 3.7Å; F68-R111 HydrophobicContact CE2-CG 3.57Å; F68-L112 HydrophobicContact CB-CD2 3.47Å; F68-L112 VanDerWaalsContact CB-CD2 3.47Å; F68-L112 HydrophobicContact CB-CG 4.32Å; F68-L112 HydrophobicContact CD1-CD2 3.94Å; F68-L112 HydrophobicContact CD1-CG 4.19Å; F68-L112 HydrophobicContact CD2-CD2 4.23Å; F68-L112 HydrophobicContact CD2-CG 4.18Å; F68-L112 HydrophobicContact CG-CD2 3.61Å; F68-L112 HydrophobicContact CG-CG 3.96Å; F68-I115 HydrophobicContact CB-CD1 3.79Å; F68-I115 HydrophobicContact CD2-CD1 3.91Å; F68-I115 HydrophobicContact CG-CD1 4.37Å
69A96.5Very high94.2Very high0 Ų029.5 Ų29.50%017%0.17CC..Hα-helixtrans-62.3-43.9174.600000111.1Y57 V65 A66 Q67 E71 F73 F99 T314Y57-A69 HydrophobicContact CD1-CB 3.61Å; Y57-A69 HydrophobicContact CE1-CB 3.59Å; Y57-A69 HydrophobicContact CG-CB 4.21Å; V65-A69 WeakPolarHBondContact O-CB 3.38Å; V65-A69 PolarHBondContact O-N 2.62Å; A66-A69 PolarHBondContact O-N 2.85Å; Q67-A69 PolarHBondContact O-N 3.47Å; A69-E71 VanDerWaalsContact C-N 3.32Å; A69-E71 PolarHBondContact O-N 3.24Å; A69-F73 WeakPolarHBondContact O-CB 3.26Å; A69-F73 PolarHBondContact O-N 2.69Å; A69-F73 VanDerWaalsContact O-N 3.08Å; A69-F99 HydrophobicContact CB-CE1 4.06Å; A69-F99 HydrophobicContact CB-CZ 4.45Å; A69-T314 HydrophobicContact CB-CG2 4.41Å
70A97.4Very high94.3Very high17 Ų1730.4 Ų30.414%0.1417%0.173CC..Hα-helixtrans-61.3-38.417700000113.1A39 N41 Y57 A66 Q67A39-A70 HydrophobicContact CB-CB 3.77Å; N41-A70 PolarHBondContact ND2-O 3.02Å; N41-A70 VanDerWaalsContact ND2-O 3.08Å; Y57-A70 HydrophobicContact CD2-CB 3.87Å; Y57-A70 HydrophobicContact CE2-CB 3.83Å; A66-A70 WeakPolarHBondContact O-CB 3.47Å; A66-A70 PolarHBondContact O-N 2.8Å; Q67-A70 PolarHBondContact O-N 3.23Å
71E95.8Very high94.7Very high85 Ų8532.8 Ų32.840%0.39719%0.191SC..Hα-helixtrans-77.1-48.9-179.9-71.5-178-17900113.4Q67 F68 A69 R111Q67-E71 WeakPolarHBondContact O-CG 3.28Å; Q67-E71 PolarHBondContact O-N 3.1Å; F68-E71 PolarHBondContact O-N 2.97Å; A69-E71 VanDerWaalsContact C-N 3.32Å; A69-E71 PolarHBondContact O-N 3.24Å; E71-R111 IonicContact OE1-NH2 3.66Å; E71-R111 IonicContact OE2-CZ 3.94Å; E71-R111 IonicContact OE2-NE 2.67Å; E71-R111 PolarHBondContact OE2-NE 3.1Å; E71-R111 IonicContact OE2-NH2 2.72Å; E71-R111 PolarHBondContact OE2-NH2 3.33Å
72E95.6Very high95.3Very high66 Ų6630.4 Ų30.431%0.30817%0.166SC..Hα-helixtrans-104.9-31.4-163.9-66-62.4156.800113.9F68 P74 N75 F76 F99F68-E72 HydrophobicContact CD2-CG 3.9Å; F68-E72 HydrophobicContact CE1-CB 4.33Å; F68-E72 HydrophobicContact CE2-CB 4.1Å; F68-E72 HydrophobicContact CE2-CG 3.48Å; F68-E72 VanDerWaalsContact CE2-CG 3.48Å; F68-E72 HydrophobicContact CZ-CB 3.98Å; F68-E72 HydrophobicContact CZ-CG 3.85Å; F68-E72 WeakPolarHBondContact O-CB 3.49Å; F68-E72 PolarHBondContact O-N 3.28Å; E72-P74 VanDerWaalsContact C-CD 3.45Å; E72-N75 PolarHBondContact O-N 2.6Å; E72-N75 VanDerWaalsContact O-N 3.17Å; E72-F76 WeakPolarHBondContact O-CB 3.45Å; E72-F76 PolarHBondContact O-N 3.46Å; E72-F99 HydrophobicContact CB-CE2 4.08Å; E72-F99 HydrophobicContact CB-CZ 4.34Å
73F97.1Very high95.8Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-57-41.5-175.5-172.9-113.4000113.4F53 A69 N75 F76 L77 F96 F99 V318F53-F73 AromaticContact CZ-CD1 3.94Å; F53-F73 HydrophobicContact CZ-CD1 3.94Å; F53-F73 HydrophobicContact CZ-CE1 4.2Å; A69-F73 WeakPolarHBondContact O-CB 3.26Å; A69-F73 PolarHBondContact O-N 2.69Å; A69-F73 VanDerWaalsContact O-N 3.08Å; F73-N75 PolarHBondContact O-N 2.71Å; F73-F76 HydrophobicContact CD2-CD1 4.44Å; F73-F76 PolarHBondContact O-N 3.24Å; F73-L77 HydrophobicContact CE1-CD2 4.5Å; F73-L77 HydrophobicContact CZ-CD1 4.38Å; F73-L77 WeakPolarHBondContact O-CB 3.39Å; F73-L77 PolarHBondContact O-N 2.99Å; F73-F96 HydrophobicContact CE1-CD2 4.09Å; F73-F96 AromaticContact CE1-CE2 3.73Å; F73-F96 HydrophobicContact CE1-CE2 3.73Å; F73-F96 HydrophobicContact CE1-CZ 4.33Å; F73-F96 HydrophobicContact CE2-CD2 4.2Å; F73-F96 AromaticContact CZ-CD2 3.39Å; F73-F96 HydrophobicContact CZ-CD2 3.39Å; F73-F96 AromaticContact CZ-CE2 3.53Å; F73-F96 HydrophobicContact CZ-CE2 3.53Å; F73-F96 HydrophobicContact CZ-CG 4.12Å; F73-F96 HydrophobicContact CZ-CZ 4.37Å; F73-F99 HydrophobicContact CB-CD2 4.45Å; F73-F99 HydrophobicContact CB-CE1 4.36Å; F73-F99 HydrophobicContact CB-CE2 4.06Å; F73-F99 HydrophobicContact CB-CZ 4.01Å; F73-F99 HydrophobicContact CD2-CB 3.86Å; F73-F99 AromaticContact CD2-CD1 3.93Å; F73-F99 HydrophobicContact CD2-CD1 3.93Å; F73-F99 AromaticContact CD2-CD2 3.72Å; F73-F99 HydrophobicContact CD2-CD2 3.72Å; F73-F99 HydrophobicContact CD2-CE1 4.38Å; F73-F99 HydrophobicContact CD2-CE2 4.18Å; F73-F99 AromaticContact CD2-CG 3.57Å; F73-F99 HydrophobicContact CD2-CG 3.57Å; F73-F99 HydrophobicContact CD2-CZ 4.48Å; F73-F99 HydrophobicContact CE2-CB 3.94Å; F73-F99 HydrophobicContact CE2-CG 4.17Å; F73-V318 HydrophobicContact CD1-CG2 4.45Å; F73-V318 HydrophobicContact CE1-CG2 4.11Å
74P97.7Very high96Very high5 Ų537.2 Ų37.23%0.03219%0.19CC..Hα-helixtrans-60.6-42.6178.3-22.633.6000112.7N41 I43 F46 F53 E72 K78N41-P74 WeakPolarHBondContact ND2-CG 3.44Å; I43-P74 HydrophobicContact CD1-CB 3.69Å; I43-P74 HydrophobicContact CD1-CG 3.9Å; F46-P74 HydrophobicContact CD2-CB 4.29Å; F46-P74 HydrophobicContact CE2-CB 3.45Å; F46-P74 VanDerWaalsContact CE2-CB 3.45Å; F46-P74 WeakPolarHBondContact CE2-O 3.32Å; F46-P74 HydrophobicContact CZ-CB 4.15Å; F46-P74 WeakPolarHBondContact CZ-O 3.4Å; F53-P74 HydrophobicContact CD1-CG 4.3Å; F53-P74 HydrophobicContact CE1-CB 4.44Å; F53-P74 HydrophobicContact CE1-CG 3.92Å; F53-P74 HydrophobicContact CZ-CG 4.31Å; E72-P74 VanDerWaalsContact C-CD 3.45Å; P74-K78 PolarHBondContact O-N 2.8Å
75N95.8Very high96.2Very high90 Ų9043.1 Ų43.148%0.48122%0.218SC..Hα-helixtrans-73.6-37.2178.4-71.5-38.9000112E72 F73 K78 S79E72-N75 PolarHBondContact O-N 2.6Å; E72-N75 VanDerWaalsContact O-N 3.17Å; F73-N75 PolarHBondContact O-N 2.71Å; N75-K78 PolarHBondContact O-N 2.87Å; N75-K78 VanDerWaalsContact OD1-CE 3.23Å; N75-K78 WeakPolarHBondContact OD1-CE 3.31Å; N75-K78 PolarHBondContact OD1-NZ 2.85Å; N75-S79 PolarHBondContact O-N 3.32Å
76F96.2Very high96.3Very high41 Ų4146.9 Ų46.918%0.1824%0.244CC..Hα-helixtrans-58-48173-177.6-98.2000111.4E72 F73 K78 S79 M80 G95 A98 F99 F108E72-F76 WeakPolarHBondContact O-CB 3.45Å; E72-F76 PolarHBondContact O-N 3.46Å; F73-F76 HydrophobicContact CD2-CD1 4.44Å; F73-F76 PolarHBondContact O-N 3.24Å; F76-K78 VanDerWaalsContact C-N 3.34Å; F76-K78 PolarHBondContact O-N 2.82Å; F76-S79 WeakPolarHBondContact O-CA 3.44Å; F76-S79 VanDerWaalsContact O-CB 3.28Å; F76-S79 WeakPolarHBondContact O-CB 3.12Å; F76-S79 PolarHBondContact O-N 2.87Å; F76-S79 PolarHBondContact O-OG 2.78Å; F76-M80 HydrophobicContact CD1-SD 4.41Å; F76-M80 HydrophobicContact CE1-SD 3.77Å; F76-M80 HydrophobicContact CZ-SD 4.03Å; F76-M80 PolarHBondContact O-N 2.84Å; F76-G95 WeakPolarHBondContact CE1-O 3.47Å; F76-A98 HydrophobicContact CE1-CB 4.06Å; F76-A98 HydrophobicContact CZ-CB 3.8Å; F76-F99 HydrophobicContact CB-CD2 3.99Å; F76-F99 HydrophobicContact CB-CE2 4.29Å; F76-F99 HydrophobicContact CD1-CB 3.9Å; F76-F99 AromaticContact CD1-CD2 3.74Å; F76-F99 HydrophobicContact CD1-CD2 3.74Å; F76-F99 HydrophobicContact CD1-CG 4.3Å; F76-F99 HydrophobicContact CD2-CD2 4.32Å; F76-F99 HydrophobicContact CE1-CB 3.75Å; F76-F99 HydrophobicContact CE1-CD2 4.28Å; F76-F99 AromaticContact CG-CD2 3.75Å; F76-F99 HydrophobicContact CG-CD2 3.75Å; F76-F99 HydrophobicContact CG-CE2 4.47Å; F76-F99 HydrophobicContact CZ-CB 4.41Å; F76-F108 HydrophobicContact CD2-CE2 4.31Å; F76-F108 AromaticContact CD2-CZ 3.59Å; F76-F108 HydrophobicContact CD2-CZ 3.59Å; F76-F108 HydrophobicContact CE2-CE2 4.32Å; F76-F108 AromaticContact CE2-CZ 3.9Å; F76-F108 HydrophobicContact CE2-CZ 3.9Å; F76-F108 HydrophobicContact CG-CZ 4.34Å
77L97.4Very high96.4Very high0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-58.8-43.6179.7-174.466.6000112F46 F53 F73 S79 M80 W83 A91 L92F46-L77 HydrophobicContact CE1-CD2 4.33Å; F46-L77 HydrophobicContact CZ-CD2 4.35Å; F53-L77 HydrophobicContact CD2-CD2 4.35Å; F53-L77 HydrophobicContact CE2-CD2 3.73Å; F73-L77 HydrophobicContact CE1-CD2 4.5Å; F73-L77 HydrophobicContact CZ-CD1 4.38Å; F73-L77 WeakPolarHBondContact O-CB 3.39Å; F73-L77 PolarHBondContact O-N 2.99Å; L77-S79 PolarHBondContact O-N 2.77Å; L77-M80 VanDerWaalsContact O-CB 3.29Å; L77-M80 WeakPolarHBondContact O-CB 3.08Å; L77-M80 WeakPolarHBondContact O-CG 3.44Å; L77-M80 PolarHBondContact O-N 3.05Å; L77-M80 VanDerWaalsContact O-N 3.13Å; L77-W83 HydrophobicContact CD1-CE3 4.47Å; L77-W83 HydrophobicContact CD2-CE3 4.05Å; L77-W83 HydrophobicContact CD2-CZ3 3.84Å; L77-W83 HydrophobicContact CG-CE3 3.88Å; L77-W83 HydrophobicContact CG-CZ3 4.21Å; L77-W83 VanDerWaalsContact O-CB 3.31Å; L77-W83 WeakPolarHBondContact O-CB 3.45Å; L77-A91 HydrophobicContact CD1-CB 4.22Å; L77-A91 WeakPolarHBondContact CD1-O 3.35Å; L77-L92 HydrophobicContact CD1-CD2 4.34Å; L77-L92 HydrophobicContact CD2-CD2 3.79Å
78K96.2Very high96.4Very high65 Ų6547.4 Ų47.428%0.28325%0.249SC..Hα-helixtrans-61.9-25.3175.2-72.1-178.7-64.1-172.50113.5F46 D47 P74 N75 F76 M80F46-K78 HydrophobicContact CD2-CD 4.11Å; F46-K78 HydrophobicContact CE1-CD 4.35Å; F46-K78 HydrophobicContact CE1-CG 3.88Å; F46-K78 HydrophobicContact CE2-CD 3.7Å; F46-K78 HydrophobicContact CE2-CG 3.84Å; F46-K78 HydrophobicContact CZ-CD 3.88Å; F46-K78 HydrophobicContact CZ-CG 3.47Å; F46-K78 VanDerWaalsContact CZ-CG 3.47Å; F46-K78 WeakPolarHBondContact O-CD 3.35Å; F46-K78 PolarHBondContact O-NZ 3.28Å; D47-K78 HydrophobicContact CB-CD 4.35Å; P74-K78 PolarHBondContact O-N 2.8Å; N75-K78 PolarHBondContact O-N 2.87Å; N75-K78 VanDerWaalsContact OD1-CE 3.23Å; N75-K78 WeakPolarHBondContact OD1-CE 3.31Å; N75-K78 PolarHBondContact OD1-NZ 2.85Å; F76-K78 VanDerWaalsContact C-N 3.34Å; F76-K78 PolarHBondContact O-N 2.82Å; K78-M80 VanDerWaalsContact C-N 3.32Å
79S96Very high96.6Very high58 Ų5849.1 Ų49.141%0.40626%0.26SS..Hα-helixtrans-76.6-21.7179.486.10000112.9N75 F76 L77 K84N75-S79 PolarHBondContact O-N 3.32Å; F76-S79 WeakPolarHBondContact O-CA 3.44Å; F76-S79 VanDerWaalsContact O-CB 3.28Å; F76-S79 WeakPolarHBondContact O-CB 3.12Å; F76-S79 PolarHBondContact O-N 2.87Å; F76-S79 PolarHBondContact O-OG 2.78Å; L77-S79 PolarHBondContact O-N 2.77Å; S79-K84 WeakPolarHBondContact O-CE 3.28Å; S79-K84 PolarHBondContact O-NZ 3.48Å
80M96.9Very high96.7Very high22 Ų2252.6 Ų52.611%0.10828%0.278CS..SBendtrans-60.4138.3-175.9-63.7-59.7-71.400111.9F76 L77 K78 A82 W83 K84 S94 A98F76-M80 HydrophobicContact CD1-SD 4.41Å; F76-M80 HydrophobicContact CE1-SD 3.77Å; F76-M80 HydrophobicContact CZ-SD 4.03Å; F76-M80 PolarHBondContact O-N 2.84Å; L77-M80 VanDerWaalsContact O-CB 3.29Å; L77-M80 WeakPolarHBondContact O-CB 3.08Å; L77-M80 WeakPolarHBondContact O-CG 3.44Å; L77-M80 PolarHBondContact O-N 3.05Å; L77-M80 VanDerWaalsContact O-N 3.13Å; K78-M80 VanDerWaalsContact C-N 3.32Å; M80-A82 VanDerWaalsContact C-N 3.31Å; M80-A82 PolarHBondContact O-N 2.94Å; M80-W83 HydrophobicContact CB-CB 4.3Å; M80-W83 WeakPolarHBondContact O-CB 3.5Å; M80-W83 PolarHBondContact O-N 2.67Å; M80-W83 VanDerWaalsContact O-N 3.12Å; M80-K84 PolarHBondContact O-N 3.27Å; M80-S94 WeakPolarHBondContact CE-OG 3.2Å; M80-A98 HydrophobicContact CE-CB 4.24Å
81P97.5Very high96.7Very high81 Ų8151.8 Ų51.853%0.52627%0.272SS..Hα-helixtrans-54.9-45.2176-26.735.1000112.9W83 K84 E85P81-W83 VanDerWaalsContact C-N 3.26Å; P81-W83 PolarHBondContact O-N 3.06Å; P81-K84 WeakPolarHBondContact O-CB 3.43Å; P81-K84 PolarHBondContact O-N 2.99Å; P81-K84 VanDerWaalsContact O-N 3.07Å; P81-E85 WeakPolarHBondContact O-CG 3.46Å; P81-E85 PolarHBondContact O-N 3.46Å
82A97.5Very high96.8Very high6 Ų647.7 Ų47.75%0.0525%0.253CS..Hα-helixtrans-60.7-33.117900000113M80 E85 S86 N87 L90 A91M80-A82 VanDerWaalsContact C-N 3.31Å; M80-A82 PolarHBondContact O-N 2.94Å; A82-E85 PolarHBondContact O-N 3.29Å; A82-S86 PolarHBondContact O-N 3.41Å; A82-N87 PolarHBondContact O-N 3.24Å; A82-L90 HydrophobicContact CB-CB 4.03Å; A82-L90 HydrophobicContact CB-CD2 3.96Å; A82-L90 HydrophobicContact CB-CG 3.81Å; A82-A91 HydrophobicContact CB-CB 3.93Å
83W97Very high96.9Very high15 Ų1548.9 Ų48.96%0.05726%0.258CS..Hα-helixtrans-66.4-44.3175-172.6-88.7000111.2F46 D47 L77 M80 P81 E85 S86 I88 A91 V320F46-W83 AromaticContact CD1-CH2 3.71Å; F46-W83 HydrophobicContact CD1-CH2 3.71Å; F46-W83 AromaticContact CD1-CZ2 3.55Å; F46-W83 HydrophobicContact CD1-CZ2 3.55Å; F46-W83 AromaticContact CE1-CH2 3.39Å; F46-W83 HydrophobicContact CE1-CH2 3.39Å; F46-W83 AromaticContact CE1-CZ2 3.34Å; F46-W83 HydrophobicContact CE1-CZ2 3.34Å; F46-W83 HydrophobicContact CE1-CZ3 4.11Å; D47-W83 HydrophobicContact CB-CZ2 4.34Å; L77-W83 HydrophobicContact CD1-CE3 4.47Å; L77-W83 HydrophobicContact CD2-CE3 4.05Å; L77-W83 HydrophobicContact CD2-CZ3 3.84Å; L77-W83 HydrophobicContact CG-CE3 3.88Å; L77-W83 HydrophobicContact CG-CZ3 4.21Å; L77-W83 VanDerWaalsContact O-CB 3.31Å; L77-W83 WeakPolarHBondContact O-CB 3.45Å; M80-W83 HydrophobicContact CB-CB 4.3Å; M80-W83 WeakPolarHBondContact O-CB 3.5Å; M80-W83 PolarHBondContact O-N 2.67Å; M80-W83 VanDerWaalsContact O-N 3.12Å; P81-W83 VanDerWaalsContact C-N 3.26Å; P81-W83 PolarHBondContact O-N 3.06Å; W83-E85 PolarHBondContact O-N 3Å; W83-S86 WeakPolarHBondContact O-CA 3.39Å; W83-S86 PolarHBondContact O-N 3.43Å; W83-I88 HydrophobicContact CZ3-CG1 4.22Å; W83-I88 HydrophobicContact CZ3-CG2 4.1Å; W83-A91 HydrophobicContact CB-CB 3.92Å; W83-A91 HydrophobicContact CE3-CB 3.92Å; W83-V320 HydrophobicContact CH2-CG1 3.81Å; W83-V320 HydrophobicContact CH2-CG2 4.36Å; W83-V320 HydrophobicContact CZ3-CG1 4.31Å; W83-V320 HydrophobicContact CZ3-CG2 4.35Å
84K95.2Very high96.9Very high148 Ų14850.5 Ų50.564%0.64327%0.27SS*.Hα-helixtrans-64.2-29.5177.4-66167178.2155.30112.4S79 M80 P81 S86S79-K84 WeakPolarHBondContact O-CE 3.28Å; S79-K84 PolarHBondContact O-NZ 3.48Å; M80-K84 PolarHBondContact O-N 3.27Å; P81-K84 WeakPolarHBondContact O-CB 3.43Å; P81-K84 PolarHBondContact O-N 2.99Å; P81-K84 VanDerWaalsContact O-N 3.07Å; K84-S86 PolarHBondContact O-N 2.9Å
85E95.8Very high96.9Very high145 Ų14550.3 Ų50.368%0.67827%0.268SS*.THydrogen-bonded Turntrans-81.92.6173.6-67.3169.9-169.900113.1P81 A82 W83 N87P81-E85 WeakPolarHBondContact O-CG 3.46Å; P81-E85 PolarHBondContact O-N 3.46Å; A82-E85 PolarHBondContact O-N 3.29Å; W83-E85 PolarHBondContact O-N 3Å; E85-N87 PolarHBondContact O-N 3.29Å
86S94.3Very high96.9Very high80 Ų8046 Ų4656%0.55925%0.245SC*.THydrogen-bonded Turntrans60.220.8-175.8-55.10000114.6A82 W83 K84 I88A82-S86 PolarHBondContact O-N 3.41Å; W83-S86 WeakPolarHBondContact O-CA 3.39Å; W83-S86 PolarHBondContact O-N 3.43Å; K84-S86 PolarHBondContact O-N 2.9Å; S86-I88 PolarHBondContact O-N 3.49Å
87N97.2Very high96.7Very high68 Ų6845.6 Ų45.636%0.36425%0.245SC..  trans-89.776.5171-170.5-15.1000109.7A82 E85 L90 A91A82-N87 PolarHBondContact O-N 3.24Å; E85-N87 PolarHBondContact O-N 3.29Å; N87-L90 HydrophobicContact CB-CB 4.26Å; N87-L90 VanDerWaalsContact CG-CB 3.43Å; N87-L90 WeakPolarHBondContact ND2-CB 3.43Å; N87-L90 PolarHBondContact O-N 3.14Å; N87-L90 WeakPolarHBondContact OD1-CB 3.23Å; N87-L90 PolarHBondContact OD1-N 3.36Å; N87-A91 WeakPolarHBondContact O-CB 3.3Å; N87-A91 PolarHBondContact O-N 2.77Å
88I97.2Very high96.5Very high3 Ų347.1 Ų47.12%0.01526%0.257CS..Hα-helixtrans-57-45.7-176-61.9171000112.7W83 S86 L90 A91 L92 V320 R322 Y327W83-I88 HydrophobicContact CZ3-CG1 4.22Å; W83-I88 HydrophobicContact CZ3-CG2 4.1Å; S86-I88 PolarHBondContact O-N 3.49Å; I88-L90 PolarHBondContact O-N 3.03Å; I88-A91 WeakPolarHBondContact O-CB 3.32Å; I88-A91 PolarHBondContact O-N 2.94Å; I88-L92 HydrophobicContact CG2-CD1 3.86Å; I88-L92 HydrophobicContact CG2-CG 4.37Å; I88-L92 WeakPolarHBondContact O-CG 3.17Å; I88-L92 PolarHBondContact O-N 3.45Å; I88-V320 HydrophobicContact CG2-CB 4.46Å; I88-V320 HydrophobicContact CG2-CG1 4.27Å; I88-R322 HydrophobicContact CD1-CB 4.3Å; I88-Y327 HydrophobicContact CB-CD1 4.14Å; I88-Y327 HydrophobicContact CB-CD2 4.5Å; I88-Y327 HydrophobicContact CB-CE1 4.04Å; I88-Y327 HydrophobicContact CB-CE2 4.41Å; I88-Y327 HydrophobicContact CB-CG 4.38Å; I88-Y327 HydrophobicContact CD1-CD2 4.13Å; I88-Y327 HydrophobicContact CD1-CE2 3.62Å; I88-Y327 HydrophobicContact CG2-CD1 3.78Å; I88-Y327 HydrophobicContact CG2-CD2 3.89Å; I88-Y327 HydrophobicContact CG2-CE1 4.18Å; I88-Y327 HydrophobicContact CG2-CE2 4.27Å; I88-Y327 HydrophobicContact CG2-CG 3.63Å
89P98.2Very high96.3Very high37 Ų3744 Ų4424%0.2424%0.244CC..Hα-helixtrans-58.7-46.8178.4-26.136.2000112.9A91 L92 E93 Y327 I427 I429P89-A91 VanDerWaalsContact C-N 3.32Å; P89-A91 PolarHBondContact O-N 3.47Å; P89-L92 PolarHBondContact O-N 2.93Å; P89-E93 PolarHBondContact O-N 3.41Å; P89-Y327 HydrophobicContact CG-CD1 4.05Å; P89-Y327 HydrophobicContact CG-CE1 3.94Å; P89-I427 HydrophobicContact CB-CG2 4.26Å; P89-I429 HydrophobicContact CB-CD1 4.41Å; P89-I429 HydrophobicContact CG-CD1 3.57Å; P89-I429 HydrophobicContact CG-CG1 4.43Å
90L98.1Very high96.1Very high72 Ų7241.2 Ų41.238%0.37723%0.225SC..Hα-helixtrans-67.5-35.3177.7-178.361.9000111.8A82 N87 I88 L92 S94A82-L90 HydrophobicContact CB-CB 4.03Å; A82-L90 HydrophobicContact CB-CD2 3.96Å; A82-L90 HydrophobicContact CB-CG 3.81Å; N87-L90 HydrophobicContact CB-CB 4.26Å; N87-L90 VanDerWaalsContact CG-CB 3.43Å; N87-L90 WeakPolarHBondContact ND2-CB 3.43Å; N87-L90 PolarHBondContact O-N 3.14Å; N87-L90 WeakPolarHBondContact OD1-CB 3.23Å; N87-L90 PolarHBondContact OD1-N 3.36Å; I88-L90 PolarHBondContact O-N 3.03Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L90-S94 WeakPolarHBondContact O-CB 3.08Å; L90-S94 PolarHBondContact O-N 3.45Å; L90-S94 PolarHBondContact O-OG 3.1Å
91A98.3Very high95.5Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-63-41.9175.700000111.7L77 A82 W83 N87 I88 P89 G95L77-A91 HydrophobicContact CD1-CB 4.22Å; L77-A91 WeakPolarHBondContact CD1-O 3.35Å; A82-A91 HydrophobicContact CB-CB 3.93Å; W83-A91 HydrophobicContact CB-CB 3.92Å; W83-A91 HydrophobicContact CE3-CB 3.92Å; N87-A91 WeakPolarHBondContact O-CB 3.3Å; N87-A91 PolarHBondContact O-N 2.77Å; I88-A91 WeakPolarHBondContact O-CB 3.32Å; I88-A91 PolarHBondContact O-N 2.94Å; P89-A91 VanDerWaalsContact C-N 3.32Å; P89-A91 PolarHBondContact O-N 3.47Å; A91-G95 WeakPolarHBondContact O-CA 3.36Å; A91-G95 PolarHBondContact O-N 3.37Å
92L98.3Very high94.9Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-65.4-53.3174.6-69.8164.8000110.4L77 I88 P89 L90 S94 G95 F96 V318 V320 A329 I427L77-L92 HydrophobicContact CD1-CD2 4.34Å; L77-L92 HydrophobicContact CD2-CD2 3.79Å; I88-L92 HydrophobicContact CG2-CD1 3.86Å; I88-L92 HydrophobicContact CG2-CG 4.37Å; I88-L92 WeakPolarHBondContact O-CG 3.17Å; I88-L92 PolarHBondContact O-N 3.45Å; P89-L92 PolarHBondContact O-N 2.93Å; L90-L92 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 3.04Å; L92-G95 PolarHBondContact O-N 3.01Å; L92-F96 HydrophobicContact CD2-CE2 4.34Å; L92-F96 WeakPolarHBondContact O-CD2 3.27Å; L92-F96 PolarHBondContact O-N 2.67Å; L92-V318 HydrophobicContact CD2-CG1 4.14Å; L92-V320 HydrophobicContact CD2-CG2 4.23Å; L92-A329 HydrophobicContact CB-CB 4.14Å; L92-A329 HydrophobicContact CD1-CB 4.17Å; L92-A329 HydrophobicContact CD2-CB 4.12Å; L92-A329 HydrophobicContact CG-CB 4.37Å; L92-I427 HydrophobicContact CB-CD1 3.7Å; L92-I427 HydrophobicContact CD1-CD1 4.35Å
93E97.5Very high94.2Very high90 Ų9040.6 Ų40.642%0.42122%0.217SC..Hα-helixtrans-56.1-54.8-179.6-172.4-173.5117.900112.5P89 G95 L97 L424P89-E93 PolarHBondContact O-N 3.41Å; E93-G95 VanDerWaalsContact C-N 3.35Å; E93-L97 WeakPolarHBondContact O-CG 3Å; E93-L97 PolarHBondContact O-N 3.05Å; E93-L424 HydrophobicContact CG-CD1 3.66Å
94S96.4Very high93Very high35 Ų3541 Ų4125%0.24522%0.22CC..Hα-helixtrans-70.9-31.1-179.862.50000112.8M80 L90 L92 A98M80-S94 WeakPolarHBondContact CE-OG 3.2Å; L90-S94 WeakPolarHBondContact O-CB 3.08Å; L90-S94 PolarHBondContact O-N 3.45Å; L90-S94 PolarHBondContact O-OG 3.1Å; L92-S94 PolarHBondContact O-N 3.04Å; S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 2.94Å
95G97Very high92.1Very high0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-66.3-45.8179.100000111.8F76 A91 L92 E93 F99F76-G95 WeakPolarHBondContact CE1-O 3.47Å; A91-G95 WeakPolarHBondContact O-CA 3.36Å; A91-G95 PolarHBondContact O-N 3.37Å; L92-G95 PolarHBondContact O-N 3.01Å; E93-G95 VanDerWaalsContact C-N 3.35Å; G95-F99 WeakPolarHBondContact O-CB 3.25Å; G95-F99 PolarHBondContact O-N 2.81Å
96F97Very high91.3Very high0 Ų039.4 Ų39.40%021%0.209CC..Hα-helixtrans-59.8-50175.9-90.2-110.2000111.9F73 L92 A98 F99 D100 A316 V318 A329 V331 I385 P425F73-F96 HydrophobicContact CE1-CD2 4.09Å; F73-F96 AromaticContact CE1-CE2 3.73Å; F73-F96 HydrophobicContact CE1-CE2 3.73Å; F73-F96 HydrophobicContact CE1-CZ 4.33Å; F73-F96 HydrophobicContact CE2-CD2 4.2Å; F73-F96 AromaticContact CZ-CD2 3.39Å; F73-F96 HydrophobicContact CZ-CD2 3.39Å; F73-F96 AromaticContact CZ-CE2 3.53Å; F73-F96 HydrophobicContact CZ-CE2 3.53Å; F73-F96 HydrophobicContact CZ-CG 4.12Å; F73-F96 HydrophobicContact CZ-CZ 4.37Å; L92-F96 HydrophobicContact CD2-CE2 4.34Å; L92-F96 WeakPolarHBondContact O-CD2 3.27Å; L92-F96 PolarHBondContact O-N 2.67Å; F96-A98 PolarHBondContact O-N 3.49Å; F96-F99 PolarHBondContact O-N 2.81Å; F96-D100 WeakPolarHBondContact O-CB 3.17Å; F96-D100 PolarHBondContact O-N 2.86Å; F96-A316 HydrophobicContact CE1-CB 3.59Å; F96-A316 HydrophobicContact CZ-CB 4.05Å; F96-V318 HydrophobicContact CE2-CB 4.34Å; F96-V318 HydrophobicContact CE2-CG2 4.08Å; F96-V318 HydrophobicContact CZ-CB 4.11Å; F96-V318 HydrophobicContact CZ-CG2 3.63Å; F96-A329 HydrophobicContact CE2-CB 3.68Å; F96-A329 HydrophobicContact CZ-CB 3.9Å; F96-V331 HydrophobicContact CD1-CB 4.3Å; F96-V331 HydrophobicContact CD1-CG2 3.5Å; F96-V331 HydrophobicContact CE1-CB 4.03Å; F96-V331 HydrophobicContact CE1-CG2 3.56Å; F96-I385 HydrophobicContact CD1-CD1 3.81Å; F96-I385 HydrophobicContact CD1-CG1 4.26Å; F96-I385 HydrophobicContact CE1-CD1 4.02Å; F96-P425 HydrophobicContact CB-CG 3.92Å; F96-P425 HydrophobicContact CD1-CB 4.15Å; F96-P425 HydrophobicContact CD1-CG 4.28Å; F96-P425 HydrophobicContact CD2-CB 4.29Å; F96-P425 HydrophobicContact CD2-CG 3.94Å; F96-P425 HydrophobicContact CE1-CB 4.25Å; F96-P425 HydrophobicContact CE2-CB 4.42Å; F96-P425 HydrophobicContact CE2-CG 4.5Å; F96-P425 HydrophobicContact CG-CB 4.14Å; F96-P425 HydrophobicContact CG-CG 3.81Å; F96-P425 HydrophobicContact CZ-CB 4.39Å
97L92.7Very high90.9Very high32 Ų3240.2 Ų40.217%0.16821%0.212CC..Hα-helixtrans-63.3-43.9-179.6-64178.4000112.5E93 E101 I416 K417 A423 L424E93-L97 WeakPolarHBondContact O-CG 3Å; E93-L97 PolarHBondContact O-N 3.05Å; L97-E101 WeakPolarHBondContact O-CB 3.36Å; L97-E101 PolarHBondContact O-N 3.5Å; L97-I416 HydrophobicContact CD2-CG2 3.97Å; L97-K417 HydrophobicContact CD2-CB 4.25Å; L97-A423 HydrophobicContact CD2-CB 4.45Å; L97-L424 HydrophobicContact CD1-CD1 3.97Å; L97-L424 HydrophobicContact CD2-CB 4.09Å; L97-L424 HydrophobicContact CD2-CD1 4.32Å; L97-L424 HydrophobicContact CG-CD1 4.33Å
98A92Very high90.3Very high32 Ų3238.4 Ų38.426%0.26420%0.201SC..Hα-helixtrans-71.4-32.9179.800000112.3F76 M80 S94 F96 G102F76-A98 HydrophobicContact CE1-CB 4.06Å; F76-A98 HydrophobicContact CZ-CB 3.8Å; M80-A98 HydrophobicContact CE-CB 4.24Å; S94-A98 WeakPolarHBondContact O-CB 3.4Å; S94-A98 PolarHBondContact O-N 2.94Å; F96-A98 PolarHBondContact O-N 3.49Å; A98-G102 PolarHBondContact O-N 2.8Å
99F92.5Very high89.4Confident0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-66.7-46174.8-171.4-100.4000110.9F68 A69 E72 F73 F76 G95 F96 G102 L103 F108 I385F68-F99 AromaticContact CD1-CE1 3.98Å; F68-F99 HydrophobicContact CD1-CE1 3.98Å; F68-F99 HydrophobicContact CD1-CE2 4.33Å; F68-F99 AromaticContact CD1-CZ 3.46Å; F68-F99 HydrophobicContact CD1-CZ 3.46Å; F68-F99 VanDerWaalsContact CD1-CZ 3.46Å; F68-F99 HydrophobicContact CE1-CE1 4.04Å; F68-F99 AromaticContact CE1-CE2 3.74Å; F68-F99 HydrophobicContact CE1-CE2 3.74Å; F68-F99 AromaticContact CE1-CZ 3.3Å; F68-F99 HydrophobicContact CE1-CZ 3.3Å; F68-F99 HydrophobicContact CZ-CE2 4.47Å; F68-F99 HydrophobicContact CZ-CZ 4.34Å; A69-F99 HydrophobicContact CB-CE1 4.06Å; A69-F99 HydrophobicContact CB-CZ 4.45Å; E72-F99 HydrophobicContact CB-CE2 4.08Å; E72-F99 HydrophobicContact CB-CZ 4.34Å; F73-F99 HydrophobicContact CB-CD2 4.45Å; F73-F99 HydrophobicContact CB-CE1 4.36Å; F73-F99 HydrophobicContact CB-CE2 4.06Å; F73-F99 HydrophobicContact CB-CZ 4.01Å; F73-F99 HydrophobicContact CD2-CB 3.86Å; F73-F99 AromaticContact CD2-CD1 3.93Å; F73-F99 HydrophobicContact CD2-CD1 3.93Å; F73-F99 AromaticContact CD2-CD2 3.72Å; F73-F99 HydrophobicContact CD2-CD2 3.72Å; F73-F99 HydrophobicContact CD2-CE1 4.38Å; F73-F99 HydrophobicContact CD2-CE2 4.18Å; F73-F99 AromaticContact CD2-CG 3.57Å; F73-F99 HydrophobicContact CD2-CG 3.57Å; F73-F99 HydrophobicContact CD2-CZ 4.48Å; F73-F99 HydrophobicContact CE2-CB 3.94Å; F73-F99 HydrophobicContact CE2-CG 4.17Å; F76-F99 HydrophobicContact CB-CD2 3.99Å; F76-F99 HydrophobicContact CB-CE2 4.29Å; F76-F99 HydrophobicContact CD1-CB 3.9Å; F76-F99 AromaticContact CD1-CD2 3.74Å; F76-F99 HydrophobicContact CD1-CD2 3.74Å; F76-F99 HydrophobicContact CD1-CG 4.3Å; F76-F99 HydrophobicContact CD2-CD2 4.32Å; F76-F99 HydrophobicContact CE1-CB 3.75Å; F76-F99 HydrophobicContact CE1-CD2 4.28Å; F76-F99 AromaticContact CG-CD2 3.75Å; F76-F99 HydrophobicContact CG-CD2 3.75Å; F76-F99 HydrophobicContact CG-CE2 4.47Å; F76-F99 HydrophobicContact CZ-CB 4.41Å; G95-F99 WeakPolarHBondContact O-CB 3.25Å; G95-F99 PolarHBondContact O-N 2.81Å; F96-F99 PolarHBondContact O-N 2.81Å; F99-G102 PolarHBondContact O-N 2.81Å; F99-G102 VanDerWaalsContact O-N 3.13Å; F99-L103 HydrophobicContact CD1-CD2 4.44Å; F99-L103 HydrophobicContact CE1-CD2 4.08Å; F99-L103 PolarHBondContact O-N 2.83Å; F99-F108 AromaticContact CD2-CE2 3.6Å; F99-F108 HydrophobicContact CD2-CE2 3.6Å; F99-F108 HydrophobicContact CD2-CZ 4.02Å; F99-F108 AromaticContact CE2-CE2 3.77Å; F99-F108 HydrophobicContact CE2-CE2 3.77Å; F99-F108 HydrophobicContact CE2-CZ 4.05Å; F99-F108 HydrophobicContact CG-CE2 4.34Å; F99-I385 HydrophobicContact CD1-CG2 4.12Å; F99-I385 HydrophobicContact CE1-CG2 4.4Å
100D90.8Very high88.7Confident0 Ų042.9 Ų42.90%022%0.218CC..Hα-helixtrans-56.8-54174.8-170.356.4000111F96 G102 L103 I385 G386 L388 K409 A423F96-D100 WeakPolarHBondContact O-CB 3.17Å; F96-D100 PolarHBondContact O-N 2.86Å; D100-G102 PolarHBondContact O-N 2.96Å; D100-G102 VanDerWaalsContact O-N 3.11Å; D100-L103 WeakPolarHBondContact O-CB 3.44Å; D100-L103 WeakPolarHBondContact O-CG 3.43Å; D100-L103 PolarHBondContact O-N 2.88Å; D100-L103 VanDerWaalsContact O-N 3.07Å; D100-I385 WeakPolarHBondContact OD1-CA 3.49Å; D100-G386 PolarHBondContact OD1-N 2.89Å; D100-L388 WeakPolarHBondContact O-CD1 3.26Å; D100-K409 IonicContact OD1-NZ 3.56Å; D100-K409 PolarHBondContact OD1-NZ 3.02Å; D100-K409 IonicContact OD2-NZ 2.81Å; D100-K409 PolarHBondContact OD2-NZ 3.07Å; D100-A423 HydrophobicContact CB-CB 3.57Å; D100-A423 VanDerWaalsContact CG-CB 3.43Å; D100-A423 WeakPolarHBondContact OD2-CB 3.45Å
101E85.6Confident88.2Confident81 Ų8143.4 Ų43.438%0.37922%0.215SC..Hα-helixtrans-56.8-31.3176.9-164.6-168.1177.400112.7L97 R105 I416L97-E101 WeakPolarHBondContact O-CB 3.36Å; L97-E101 PolarHBondContact O-N 3.5Å; E101-R105 VanDerWaalsContact CD-NH1 3.26Å; E101-R105 IonicContact OE1-CZ 2.89Å; E101-R105 IonicContact OE1-NH1 2.85Å; E101-R105 PolarHBondContact OE1-NH1 2.88Å; E101-R105 IonicContact OE1-NH2 3.77Å; E101-R105 PolarHBondContact OE1-NH2 2.99Å; E101-R105 IonicContact OE2-NH1 3.88Å; E101-I416 HydrophobicContact CB-CD1 3.99Å; E101-I416 HydrophobicContact CG-CD1 4.11Å
102G84.9Confident87.5Confident14 Ų1443.4 Ų43.414%0.14422%0.215CC..Hα-helixtrans-69.5-25.7179.400000114.6A98 F99 D100 L104 R105 F108A98-G102 PolarHBondContact O-N 2.8Å; F99-G102 PolarHBondContact O-N 2.81Å; F99-G102 VanDerWaalsContact O-N 3.13Å; D100-G102 PolarHBondContact O-N 2.96Å; D100-G102 VanDerWaalsContact O-N 3.11Å; G102-L104 PolarHBondContact O-N 3.44Å; G102-L104 VanDerWaalsContact O-N 3.09Å; G102-R105 PolarHBondContact O-N 2.9Å; G102-F108 VanDerWaalsContact C-CD2 3.48Å; G102-F108 WeakPolarHBondContact O-CB 3.49Å
103L81.6Confident86.7Confident0 Ų046.7 Ų46.70%023%0.23CC..THydrogen-bonded Turntrans-59-29.5-170.5-64.3174.6000113.8V65 F68 F99 D100 L112 I385V65-L103 HydrophobicContact CG1-CD1 4.11Å; F68-L103 HydrophobicContact CD1-CD2 3.59Å; F68-L103 HydrophobicContact CE1-CD2 3.6Å; F99-L103 HydrophobicContact CD1-CD2 4.44Å; F99-L103 HydrophobicContact CE1-CD2 4.08Å; F99-L103 PolarHBondContact O-N 2.83Å; D100-L103 WeakPolarHBondContact O-CB 3.44Å; D100-L103 WeakPolarHBondContact O-CG 3.43Å; D100-L103 PolarHBondContact O-N 2.88Å; D100-L103 VanDerWaalsContact O-N 3.07Å; L103-L112 HydrophobicContact CB-CD1 3.97Å; L103-L112 HydrophobicContact CD2-CD1 3.85Å; L103-L112 HydrophobicContact CG-CD1 4.47Å; L103-L112 WeakPolarHBondContact O-CD1 3.48Å; L103-I385 HydrophobicContact CD1-CG2 3.73Å
104L71.9Confident86.3Confident23 Ų2346 Ų4612%0.1223%0.227CC..THydrogen-bonded Turntrans-94.37.7179.4-62179.6000113.6G102 V310 L388 T390G102-L104 PolarHBondContact O-N 3.44Å; G102-L104 VanDerWaalsContact O-N 3.09Å; L104-V310 HydrophobicContact CD2-CG2 4.45Å; L104-L388 HydrophobicContact CD1-CB 3.59Å; L104-L388 HydrophobicContact CG-CB 4.13Å; L104-T390 VanDerWaalsContact CD1-OG1 3.25Å; L104-T390 WeakPolarHBondContact CD1-OG1 3.3Å
105R76.2Confident85.8Confident134 Ų13444.6 Ų44.651%0.50622%0.216SC..SBendtrans-118.5151.8-178.6-62.3179179.1156.65.6110.4E101 G102 F108 F109E101-R105 VanDerWaalsContact CD-NH1 3.26Å; E101-R105 IonicContact OE1-CZ 2.89Å; E101-R105 IonicContact OE1-NH1 2.85Å; E101-R105 PolarHBondContact OE1-NH1 2.88Å; E101-R105 IonicContact OE1-NH2 3.77Å; E101-R105 PolarHBondContact OE1-NH2 2.99Å; E101-R105 IonicContact OE2-NH1 3.88Å; G102-R105 PolarHBondContact O-N 2.9Å; R105-F108 PolarHBondContact O-N 2.8Å; R105-F109 PolarHBondContact O-N 3.09Å
106E79.1Confident85.1Confident127 Ų12745.5 Ų45.559%0.59322%0.223SC*.THydrogen-bonded Turntrans-67.9141.9168.3-69.2-62.2164.200110H110E106-H110 WeakPolarHBondContact OE2-CB 2.77Å
107P85.8Confident84.4Confident96 Ų9652.7 Ų52.762%0.62326%0.255SS*.THydrogen-bonded Turncis-88.9-3.5634.9-35.1000115.5F109 H110 R111P107-F109 PolarHBondContact O-N 2.82Å; P107-H110 PolarHBondContact O-N 2.85Å; P107-R111 PolarHBondContact O-N 2.97Å
108F85.2Confident83.7Confident30 Ų3055.2 Ų55.213%0.13227%0.274CS..Hα-helixtrans-65.2-42.9-172.1-72.39.1000111.8F68 F76 F99 G102 R105 H110 R111 L112F68-F108 HydrophobicContact CE1-CB 4.07Å; F68-F108 HydrophobicContact CE1-CD1 4.43Å; F68-F108 AromaticContact CE1-CD2 3.7Å; F68-F108 HydrophobicContact CE1-CD2 3.7Å; F68-F108 HydrophobicContact CE1-CE2 4.14Å; F68-F108 AromaticContact CE1-CG 3.85Å; F68-F108 HydrophobicContact CE1-CG 3.85Å; F68-F108 HydrophobicContact CE2-CB 4.44Å; F68-F108 HydrophobicContact CZ-CB 3.62Å; F68-F108 AromaticContact CZ-CD1 3.65Å; F68-F108 HydrophobicContact CZ-CD1 3.65Å; F68-F108 AromaticContact CZ-CD2 3.75Å; F68-F108 HydrophobicContact CZ-CD2 3.75Å; F68-F108 HydrophobicContact CZ-CE1 4.15Å; F68-F108 HydrophobicContact CZ-CE2 4.25Å; F68-F108 AromaticContact CZ-CG 3.41Å; F68-F108 HydrophobicContact CZ-CG 3.41Å; F68-F108 VanDerWaalsContact CZ-CG 3.41Å; F68-F108 HydrophobicContact CZ-CZ 4.42Å; F76-F108 HydrophobicContact CD2-CE2 4.31Å; F76-F108 AromaticContact CD2-CZ 3.59Å; F76-F108 HydrophobicContact CD2-CZ 3.59Å; F76-F108 HydrophobicContact CE2-CE2 4.32Å; F76-F108 AromaticContact CE2-CZ 3.9Å; F76-F108 HydrophobicContact CE2-CZ 3.9Å; F76-F108 HydrophobicContact CG-CZ 4.34Å; F99-F108 AromaticContact CD2-CE2 3.6Å; F99-F108 HydrophobicContact CD2-CE2 3.6Å; F99-F108 HydrophobicContact CD2-CZ 4.02Å; F99-F108 AromaticContact CE2-CE2 3.77Å; F99-F108 HydrophobicContact CE2-CE2 3.77Å; F99-F108 HydrophobicContact CE2-CZ 4.05Å; F99-F108 HydrophobicContact CG-CE2 4.34Å; G102-F108 VanDerWaalsContact C-CD2 3.48Å; G102-F108 WeakPolarHBondContact O-CB 3.49Å; R105-F108 PolarHBondContact O-N 2.8Å; F108-H110 VanDerWaalsContact C-N 3.31Å; F108-H110 PolarHBondContact O-N 2.82Å; F108-R111 PolarHBondContact O-N 2.78Å; F108-R111 VanDerWaalsContact O-N 3.09Å; F108-L112 PolarHBondContact O-N 2.89Å
109F79.1Confident82.5Confident34 Ų3455 Ų5515%0.14927%0.271CS..Hα-helixtrans-59.6-40.2-179.6-176.1-120.5000113.1R105 P107 K113 M307R105-F109 PolarHBondContact O-N 3.09Å; P107-F109 PolarHBondContact O-N 2.82Å; F109-K113 HydrophobicContact CE1-CD 4.22Å; F109-K113 HydrophobicContact CZ-CD 4.34Å; F109-K113 WeakPolarHBondContact O-CG 3.47Å; F109-K113 PolarHBondContact O-N 3.25Å; F109-M307 HydrophobicContact CE2-SD 4.33Å; F109-M307 HydrophobicContact CZ-CE 4.05Å; F109-M307 HydrophobicContact CZ-CG 4.47Å; F109-M307 HydrophobicContact CZ-SD 3.9Å
110H82.8Confident80.9Confident101 Ų10157.3 Ų57.347%0.46829%0.287SS..Hα-helixtrans-62.9-45.5174.5-173.277000111.5E106 P107 F108 K113 E114E106-H110 WeakPolarHBondContact OE2-CB 2.77Å; P107-H110 PolarHBondContact O-N 2.85Å; F108-H110 VanDerWaalsContact C-N 3.31Å; F108-H110 PolarHBondContact O-N 2.82Å; H110-K113 WeakPolarHBondContact O-CB 3.44Å; H110-K113 PolarHBondContact O-N 2.7Å; H110-E114 IonicContact CD2-OE1 3.77Å; H110-E114 IonicContact NE2-OE1 3.43Å; H110-E114 PolarHBondContact NE2-OE1 2.95Å; H110-E114 PolarHBondContact O-N 3.49Å; H110-E114 VanDerWaalsContact O-N 3.12Å
111R87.1Confident78.9Confident82 Ų8261.6 Ų61.631%0.30932%0.317SS..Hα-helixtrans-65-42.6-179.5-176.160.5-173.6153.76.6112.4F68 E71 P107 F108 K113 E114 I115F68-R111 HydrophobicContact CD2-CB 4.15Å; F68-R111 HydrophobicContact CD2-CG 3.69Å; F68-R111 HydrophobicContact CE2-CB 3.7Å; F68-R111 HydrophobicContact CE2-CG 3.57Å; E71-R111 IonicContact OE1-NH2 3.66Å; E71-R111 IonicContact OE2-CZ 3.94Å; E71-R111 IonicContact OE2-NE 2.67Å; E71-R111 PolarHBondContact OE2-NE 3.1Å; E71-R111 IonicContact OE2-NH2 2.72Å; E71-R111 PolarHBondContact OE2-NH2 3.33Å; P107-R111 PolarHBondContact O-N 2.97Å; F108-R111 PolarHBondContact O-N 2.78Å; F108-R111 VanDerWaalsContact O-N 3.09Å; R111-K113 VanDerWaalsContact C-N 3.27Å; R111-K113 PolarHBondContact O-N 3.19Å; R111-E114 WeakPolarHBondContact CD-OE2 2.99Å; R111-E114 IonicContact CZ-OE2 3.15Å; R111-E114 IonicContact NH1-OE2 3.78Å; R111-E114 PolarHBondContact NH1-OE2 3.33Å; R111-E114 WeakPolarHBondContact O-CB 3.29Å; R111-E114 PolarHBondContact O-N 2.83Å; R111-I115 HydrophobicContact CG-CD1 4.17Å; R111-I115 WeakPolarHBondContact O-CG1 3.44Å; R111-I115 PolarHBondContact O-N 3.09Å
112L83.8Confident77.2Confident0 Ų061.8 Ų61.80%033%0.332CS..Hα-helixtrans-56.3-41.3173.3-77.4165.3000112E64 V65 F68 L103 F108 E114 I115 A116 P308E64-L112 HydrophobicContact CB-CD2 4.42Å; V65-L112 HydrophobicContact CG2-CD2 4.26Å; F68-L112 HydrophobicContact CB-CD2 3.47Å; F68-L112 VanDerWaalsContact CB-CD2 3.47Å; F68-L112 HydrophobicContact CB-CG 4.32Å; F68-L112 HydrophobicContact CD1-CD2 3.94Å; F68-L112 HydrophobicContact CD1-CG 4.19Å; F68-L112 HydrophobicContact CD2-CD2 4.23Å; F68-L112 HydrophobicContact CD2-CG 4.18Å; F68-L112 HydrophobicContact CG-CD2 3.61Å; F68-L112 HydrophobicContact CG-CG 3.96Å; L103-L112 HydrophobicContact CB-CD1 3.97Å; L103-L112 HydrophobicContact CD2-CD1 3.85Å; L103-L112 HydrophobicContact CG-CD1 4.47Å; L103-L112 WeakPolarHBondContact O-CD1 3.48Å; F108-L112 PolarHBondContact O-N 2.89Å; L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 3.4Å; L112-I115 PolarHBondContact O-N 3.35Å; L112-A116 WeakPolarHBondContact O-CB 3.36Å; L112-A116 PolarHBondContact O-N 3.22Å; L112-P308 HydrophobicContact CB-CB 3.97Å
113K82Confident75.4Confident69 Ų6963.6 Ų63.630%0.334%0.342SS..Hα-helixtrans-65.2-33.5174.9-76.5179.4174.9173.80113.9F109 H110 R111 K117 P308F109-K113 HydrophobicContact CE1-CD 4.22Å; F109-K113 HydrophobicContact CZ-CD 4.34Å; F109-K113 WeakPolarHBondContact O-CG 3.47Å; F109-K113 PolarHBondContact O-N 3.25Å; H110-K113 WeakPolarHBondContact O-CB 3.44Å; H110-K113 PolarHBondContact O-N 2.7Å; R111-K113 VanDerWaalsContact C-N 3.27Å; R111-K113 PolarHBondContact O-N 3.19Å; K113-K117 WeakPolarHBondContact O-CD 3.46Å; K113-K117 VanDerWaalsContact O-CG 3.28Å; K113-K117 WeakPolarHBondContact O-CG 3.45Å; K113-K117 PolarHBondContact O-N 2.76Å; K113-P308 HydrophobicContact CG-CG 4.29Å
114E88.1Confident73.5Confident77 Ų7768.1 Ų68.136%0.3637%0.367SS..Hα-helixtrans-66.6-46.2173.9-66.2-178.7149.400110.7H110 R111 L112 K117 C118H110-E114 IonicContact CD2-OE1 3.77Å; H110-E114 IonicContact NE2-OE1 3.43Å; H110-E114 PolarHBondContact NE2-OE1 2.95Å; H110-E114 PolarHBondContact O-N 3.49Å; H110-E114 VanDerWaalsContact O-N 3.12Å; R111-E114 WeakPolarHBondContact CD-OE2 2.99Å; R111-E114 IonicContact CZ-OE2 3.15Å; R111-E114 IonicContact NH1-OE2 3.78Å; R111-E114 PolarHBondContact NH1-OE2 3.33Å; R111-E114 WeakPolarHBondContact O-CB 3.29Å; R111-E114 PolarHBondContact O-N 2.83Å; L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 3.4Å; E114-K117 PolarHBondContact O-N 3.25Å; E114-C118 PolarHBondContact O-N 3.35Å; E114-C118 PolarHBondContact O-SG 3.34Å
115I87.5Confident72.1Confident5 Ų571.8 Ų71.83%0.02640%0.4CS..Hα-helixtrans-63.3-46-179.4-65170.6000111.3E64 Q67 F68 R111 L112 K117 C118 S119E64-I115 HydrophobicContact CB-CG2 4.12Å; Q67-I115 HydrophobicContact CB-CG2 3.82Å; F68-I115 HydrophobicContact CB-CD1 3.79Å; F68-I115 HydrophobicContact CD2-CD1 3.91Å; F68-I115 HydrophobicContact CG-CD1 4.37Å; R111-I115 HydrophobicContact CG-CD1 4.17Å; R111-I115 WeakPolarHBondContact O-CG1 3.44Å; R111-I115 PolarHBondContact O-N 3.09Å; L112-I115 PolarHBondContact O-N 3.35Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.31Å; I115-C118 PolarHBondContact O-N 2.96Å; I115-C118 VanDerWaalsContact O-N 3.15Å; I115-S119 PolarHBondContact O-N 3.37Å; I115-S119 PolarHBondContact O-OG 2.95Å; I115-S119 VanDerWaalsContact O-OG 3.07Å
116A82.3Confident70.7Confident18 Ų1869.2 Ų69.215%0.14941%0.408CS..Hα-helixtrans-60.8-38.9179.800000112.8E64 L112 C118 S119 S120 P308E64-A116 HydrophobicContact CB-CB 4.08Å; E64-A116 HydrophobicContact CG-CB 4.49Å; L112-A116 WeakPolarHBondContact O-CB 3.36Å; L112-A116 PolarHBondContact O-N 3.22Å; A116-C118 PolarHBondContact O-N 3.02Å; A116-S119 PolarHBondContact O-N 3.46Å; A116-S120 PolarHBondContact O-N 2.86Å; A116-P308 HydrophobicContact CB-CB 4.1Å; A116-P308 HydrophobicContact CB-CG 3.3Å
117K80.8Confident69.3Low151 Ų15166.2 Ų66.266%0.65740%0.395SS*.Hα-helixtrans-65.6-36.7175.9-74173.1-177.4177.20113K113 E114 I115 S120 S121K113-K117 WeakPolarHBondContact O-CD 3.46Å; K113-K117 VanDerWaalsContact O-CG 3.28Å; K113-K117 WeakPolarHBondContact O-CG 3.45Å; K113-K117 PolarHBondContact O-N 2.76Å; E114-K117 PolarHBondContact O-N 3.25Å; I115-K117 VanDerWaalsContact C-N 3.32Å; I115-K117 PolarHBondContact O-N 3.31Å; K117-S120 PolarHBondContact O-OG 3.24Å; K117-S121 PolarHBondContact O-N 3.04Å
118C78Confident67.2Low85 Ų8566.7 Ų66.757%0.57439%0.392SS*.Hα-helixtrans-69.2-39.2176.3-69.30000110.9E114 I115 A116 S121E114-C118 PolarHBondContact O-N 3.35Å; E114-C118 PolarHBondContact O-SG 3.34Å; I115-C118 PolarHBondContact O-N 2.96Å; I115-C118 VanDerWaalsContact O-N 3.15Å; A116-C118 PolarHBondContact O-N 3.02Å; C118-S121 PolarHBondContact O-OG 3.24Å
119S66.9Low65.1Low28 Ų2870.9 Ų70.920%0.19642%0.416CS..Hα-helixtrans-67.6-43.5-179.6-59.70000112.3Q67 I115 A116 S121 A122 S123Q67-S119 PolarHBondContact OE1-OG 3.05Å; I115-S119 PolarHBondContact O-N 3.37Å; I115-S119 PolarHBondContact O-OG 2.95Å; I115-S119 VanDerWaalsContact O-OG 3.07Å; A116-S119 PolarHBondContact O-N 3.46Å; S119-S121 VanDerWaalsContact C-N 3.34Å; S119-S121 PolarHBondContact O-N 3.16Å; S119-A122 PolarHBondContact O-N 3.11Å; S119-S123 PolarHBondContact O-N 2.93Å; S119-S123 PolarHBondContact O-OG 2.66Å
120S60.1Low63.3Low48 Ų4875 Ų7534%0.33644%0.44SS..Hα-helixtrans-63.7-38.2178.967.20000112.5A116 K117 A122 S123 D124A116-S120 PolarHBondContact O-N 2.86Å; K117-S120 PolarHBondContact O-OG 3.24Å; S120-A122 PolarHBondContact O-N 2.91Å; S120-A122 VanDerWaalsContact O-N 3.12Å; S120-S123 PolarHBondContact O-N 2.8Å; S120-S123 VanDerWaalsContact O-N 3.13Å; S120-S123 PolarHBondContact O-OG 2.97Å; S120-D124 WeakPolarHBondContact O-CB 3.49Å; S120-D124 PolarHBondContact O-N 2.79Å
121S48.4Very low61.8Low91 Ų9176 Ų7664%0.63645%0.445SS*.Hα-helixtrans-63.6-19.817869.80000114.5K117 C118 S119K117-S121 PolarHBondContact O-N 3.04Å; C118-S121 PolarHBondContact O-OG 3.24Å; S119-S121 VanDerWaalsContact C-N 3.34Å; S119-S121 PolarHBondContact O-N 3.16Å
122A49.7Very low59.8Low84 Ų8476.6 Ų76.669%0.69445%0.447SS*.Hα-helixtrans-89.4-30176.300000112.5S119 S120S119-A122 PolarHBondContact O-N 3.11Å; S120-A122 PolarHBondContact O-N 2.91Å; S120-A122 VanDerWaalsContact O-N 3.12Å
123S48Very low57.9Low52 Ų5281 Ų8136%0.36447%0.47SS..Hα-helixtrans-90.8-26.9-17758.30000114.8S119 S120 A125S119-S123 PolarHBondContact O-N 2.93Å; S119-S123 PolarHBondContact O-OG 2.66Å; S120-S123 PolarHBondContact O-N 2.8Å; S120-S123 VanDerWaalsContact O-N 3.13Å; S120-S123 PolarHBondContact O-OG 2.97Å; S123-A125 PolarHBondContact O-N 2.84Å
124D41.8Very low56.3Low96 Ų9678.9 Ų78.951%0.51347%0.467SS..THydrogen-bonded Turntrans-74.33.5-171.3-64.9-16.5000114.2S120 A126S120-D124 WeakPolarHBondContact O-CB 3.49Å; S120-D124 PolarHBondContact O-N 2.79Å; D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 3.07Å
125A41.6Very low54.7Low99 Ų9978.6 Ų78.682%0.81847%0.468SS*.THydrogen-bonded Turntrans-82.51.4179.600000114.6S123S123-A125 PolarHBondContact O-N 2.84Å
126A47.8Very low52.8Low81 Ų8185 Ų8567%0.66949%0.493SS*.SBendtrans-135.3-7-165.800000118.4D124D124-A126 VanDerWaalsContact C-N 3.31Å; D124-A126 PolarHBondContact O-N 3.07Å
127I49.1Very low51.3Low63 Ų6388.7 Ų88.732%0.32351%0.507SS..  trans-138.9130.3-176.9-54.9178000109.9I34 E131 R132I34-I127 HydrophobicContact CB-CD1 4.21Å; I34-I127 HydrophobicContact CD1-CD1 4.03Å; I34-I127 HydrophobicContact CG2-CD1 3.84Å; I127-E131 HydrophobicContact CG2-CB 3.95Å; I127-E131 HydrophobicContact CG2-CG 4.32Å; I127-R132 HydrophobicContact CG2-CB 4.49Å
128D42.1Very low50.6Low106 Ų10682.4 Ų82.457%0.56748%0.48SS*.  trans-66.5138.1174-171.312.8000109.9D130 E131 R132D128-D130 PolarHBondContact O-N 3.07Å; D128-D130 VanDerWaalsContact O-N 3.1Å; D128-E131 WeakPolarHBondContact O-CB 3.35Å; D128-E131 PolarHBondContact O-N 3.1Å; D128-R132 PolarHBondContact O-N 3.35Å
129D40.1Very low49.5Very low118 Ų11882.6 Ų82.663%0.63148%0.483SS*.Hα-helixtrans-56.1-32.3-176.5-80.8-32.4000111.6R132 I133D129-R132 PolarHBondContact O-N 3.45Å; D129-I133 VanDerWaalsContact O-CG1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.37Å; D129-I133 PolarHBondContact O-N 3.36Å
130D42.3Very low49Very low121 Ų12186.3 Ų86.365%0.64750%0.504SS*.Hα-helixtrans-64.9-36.2175.9-74.5-20.3000112.8D128 G134D128-D130 PolarHBondContact O-N 3.07Å; D128-D130 VanDerWaalsContact O-N 3.1Å; D130-G134 PolarHBondContact O-N 2.89Å; D130-G134 VanDerWaalsContact O-N 3.12Å
131E50.8Low49.4Very low123 Ų12385.7 Ų85.758%0.57550%0.497SS*.Hα-helixtrans-74.6-36.9178.5-167.6172.6-157.500110.8I127 D128 G134 L135I127-E131 HydrophobicContact CG2-CB 3.95Å; I127-E131 HydrophobicContact CG2-CG 4.32Å; D128-E131 WeakPolarHBondContact O-CB 3.35Å; D128-E131 PolarHBondContact O-N 3.1Å; E131-G134 PolarHBondContact O-N 2.93Å; E131-L135 HydrophobicContact CG-CD1 4.46Å; E131-L135 WeakPolarHBondContact O-CD1 3.38Å; E131-L135 WeakPolarHBondContact O-CG 2.89Å; E131-L135 PolarHBondContact O-N 3.43Å; E131-L135 VanDerWaalsContact O-N 3.11Å
132R44.1Very low50.4Low94 Ų9484.2 Ų84.236%0.35549%0.49SS..Hα-helixtrans-61-47172.9-175.2176.4176.2151.34.2111I127 D128 D129 G134 L135 Y136I127-R132 HydrophobicContact CG2-CB 4.49Å; D128-R132 PolarHBondContact O-N 3.35Å; D129-R132 PolarHBondContact O-N 3.45Å; R132-G134 VanDerWaalsContact C-N 3.35Å; R132-G134 PolarHBondContact O-N 2.99Å; R132-L135 PolarHBondContact O-N 3.47Å; R132-Y136 HydrophobicContact CG-CD2 3.95Å; R132-Y136 HydrophobicContact CG-CE2 3.68Å; R132-Y136 WeakPolarHBondContact O-CD2 3.3Å; R132-Y136 PolarHBondContact O-N 2.74Å
133I43.4Very low51.3Low93 Ų9384.4 Ų84.448%0.47748%0.483SS..Hα-helixtrans-60.4-44.8177.5-68.8164.5000110.8D129 L135 Y136 E137D129-I133 VanDerWaalsContact O-CG1 3.29Å; D129-I133 WeakPolarHBondContact O-CG1 3.37Å; D129-I133 PolarHBondContact O-N 3.36Å; I133-L135 VanDerWaalsContact C-N 3.33Å; I133-L135 PolarHBondContact O-N 2.86Å; I133-Y136 PolarHBondContact O-N 3.07Å; I133-E137 WeakPolarHBondContact O-CG 3.28Å; I133-E137 PolarHBondContact O-N 2.82Å
134G48.5Very low52.4Low24 Ų2487.8 Ų87.825%0.24749%0.492CS..Hα-helixtrans-58.1-42.3177.900000113.4D130 E131 R132 E137 D138D130-G134 PolarHBondContact O-N 2.89Å; D130-G134 VanDerWaalsContact O-N 3.12Å; E131-G134 PolarHBondContact O-N 2.93Å; R132-G134 VanDerWaalsContact C-N 3.35Å; R132-G134 PolarHBondContact O-N 2.99Å; G134-E137 PolarHBondContact O-N 3.09Å; G134-D138 WeakPolarHBondContact O-CB 3.5Å; G134-D138 PolarHBondContact O-N 3.14Å
135L54.8Low53.9Low70 Ų7088.5 Ų88.537%0.36649%0.493SS..Hα-helixtrans-67.8-37.9179.2-70.8161.1000113.1A3 E131 R132 I133 D138 S139A3-L135 HydrophobicContact CB-CD1 3.54Å; A3-L135 HydrophobicContact CB-CD2 4.14Å; A3-L135 HydrophobicContact CB-CG 4.45Å; E131-L135 HydrophobicContact CG-CD1 4.46Å; E131-L135 WeakPolarHBondContact O-CD1 3.38Å; E131-L135 WeakPolarHBondContact O-CG 2.89Å; E131-L135 PolarHBondContact O-N 3.43Å; E131-L135 VanDerWaalsContact O-N 3.11Å; R132-L135 PolarHBondContact O-N 3.47Å; I133-L135 VanDerWaalsContact C-N 3.33Å; I133-L135 PolarHBondContact O-N 2.86Å; L135-D138 PolarHBondContact O-N 3.19Å; L135-S139 PolarHBondContact O-N 2.67Å
136Y48.5Very low55.1Low140 Ų14085.7 Ų85.755%0.54946%0.464SS..Hα-helixtrans-67-44.7174.3-82.7-73.6000111.5R132 I133 D138 S139R132-Y136 HydrophobicContact CG-CD2 3.95Å; R132-Y136 HydrophobicContact CG-CE2 3.68Å; R132-Y136 WeakPolarHBondContact O-CD2 3.3Å; R132-Y136 PolarHBondContact O-N 2.74Å; I133-Y136 PolarHBondContact O-N 3.07Å; Y136-D138 VanDerWaalsContact C-N 3.27Å; Y136-D138 PolarHBondContact O-N 3.04Å; Y136-S139 PolarHBondContact O-N 2.86Å; Y136-S139 PolarHBondContact O-OG 3.41Å
137E50.4Low56.2Low96 Ų9688.1 Ų88.145%0.44946%0.456SS..Hα-helixtrans-57.3-44.8174.3-72-174.1178.300111.1I133 G134 S139 T140 I141 R149I133-E137 WeakPolarHBondContact O-CG 3.28Å; I133-E137 PolarHBondContact O-N 2.82Å; G134-E137 PolarHBondContact O-N 3.09Å; E137-S139 VanDerWaalsContact C-N 3.3Å; E137-S139 PolarHBondContact O-N 3.31Å; E137-T140 PolarHBondContact O-N 2.77Å; E137-T140 VanDerWaalsContact O-N 3.12Å; E137-T140 PolarHBondContact O-OG1 2.97Å; E137-I141 VanDerWaalsContact O-CD1 3.29Å; E137-I141 WeakPolarHBondContact O-CD1 3.49Å; E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.25Å; E137-R149 IonicContact OE2-NH1 2.66Å; E137-R149 IonicContact OE2-NH2 3.95Å
138D66.9Low57.4Low19 Ų1993 Ų9310%0.10247%0.474CS..Hα-helixtrans-65-32.2179.8-75.1-13.2000113.5G134 L135 Y136 T140 I141 L146 R149 Y150G134-D138 WeakPolarHBondContact O-CB 3.5Å; G134-D138 PolarHBondContact O-N 3.14Å; L135-D138 PolarHBondContact O-N 3.19Å; Y136-D138 VanDerWaalsContact C-N 3.27Å; Y136-D138 PolarHBondContact O-N 3.04Å; D138-T140 PolarHBondContact O-N 3.3Å; D138-I141 PolarHBondContact O-N 3.21Å; D138-L146 HydrophobicContact CB-CD2 3.55Å; D138-L146 WeakPolarHBondContact OD1-CD2 3.42Å; D138-R149 VanDerWaalsContact OD1-CD 3.32Å; D138-R149 WeakPolarHBondContact OD1-CD 3.37Å; D138-R149 IonicContact OD1-CZ 3.85Å; D138-R149 IonicContact OD1-NE 3.41Å; D138-R149 IonicContact OD1-NH1 2.77Å; D138-R149 PolarHBondContact OD1-NH1 2.72Å; D138-Y150 WeakPolarHBondContact OD2-CE2 3.29Å; D138-Y150 PolarHBondContact OD2-OH 3.18Å
139S54.8Low59Low89 Ų8993.5 Ų93.562%0.62247%0.468SS*.Hα-helixtrans-66.9-18176.275.40000113.7L135 Y136 E137L135-S139 PolarHBondContact O-N 2.67Å; Y136-S139 PolarHBondContact O-N 2.86Å; Y136-S139 PolarHBondContact O-OG 3.41Å; E137-S139 VanDerWaalsContact C-N 3.3Å; E137-S139 PolarHBondContact O-N 3.31Å
140T56.2Low60.8Low105 Ų10594.6 Ų94.664%0.64447%0.465SS*.THydrogen-bonded Turntrans-102-2.2-176.662.50000114E137 D138E137-T140 PolarHBondContact O-N 2.77Å; E137-T140 VanDerWaalsContact O-N 3.12Å; E137-T140 PolarHBondContact O-OG1 2.97Å; D138-T140 PolarHBondContact O-N 3.3Å
141I67.1Low61.6Low36 Ų3691.7 Ų91.719%0.18546%0.464CS..SBendtrans-108.2141.7-171.6-67.6167.1000110.4E137 D138 E145 L146E137-I141 VanDerWaalsContact O-CD1 3.29Å; E137-I141 WeakPolarHBondContact O-CD1 3.49Å; E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.25Å; D138-I141 PolarHBondContact O-N 3.21Å; I141-E145 HydrophobicContact CG2-CB 3.41Å; I141-E145 VanDerWaalsContact CG2-CB 3.41Å; I141-E145 HydrophobicContact CG2-CG 3.51Å; I141-L146 HydrophobicContact CB-CG 4.44Å; I141-L146 HydrophobicContact CG2-CG 4.35Å
142A70.2Confident61.9Low60 Ų6091.2 Ų91.250%0.49646%0.464SS..  trans-57.9145176.900000111.7E144 E145 L146A142-E144 PolarHBondContact O-N 3.44Å; A142-E144 VanDerWaalsContact O-N 3.14Å; A142-E145 WeakPolarHBondContact O-CA 3.33Å; A142-E145 PolarHBondContact O-N 3.12Å; A142-L146 PolarHBondContact O-N 2.97Å
143V68.1Low61.9Low88 Ų8891 Ų9153%0.53348%0.477SS..Hα-helixtrans-53.7-38.5-177.7176.50000112.7E145 L146 R147V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 2.98Å; V143-L146 PolarHBondContact O-N 3.37Å; V143-R147 WeakPolarHBondContact O-CB 3.4Å; V143-R147 WeakPolarHBondContact O-CG 3.23Å; V143-R147 PolarHBondContact O-N 2.83Å
144E72.7Confident61.7Low122 Ų12292.9 Ų92.957%0.5750%0.498SS*.Hα-helixtrans-59-34.5173.9-89.158.5-134.600113.6A142 R147 K148A142-E144 PolarHBondContact O-N 3.44Å; A142-E144 VanDerWaalsContact O-N 3.14Å; E144-R147 IonicContact OE1-NH1 3.01Å; E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 2.87Å
145E71.9Confident61.1Low111 Ų11195.9 Ų95.952%0.51952%0.515SS..Hα-helixtrans-87.4-31.5-177.4-172.7157.7-145.600111.5I141 A142 V143 R147 K148 R149I141-E145 HydrophobicContact CG2-CB 3.41Å; I141-E145 VanDerWaalsContact CG2-CB 3.41Å; I141-E145 HydrophobicContact CG2-CG 3.51Å; A142-E145 WeakPolarHBondContact O-CA 3.33Å; A142-E145 PolarHBondContact O-N 3.12Å; V143-E145 VanDerWaalsContact C-N 3.26Å; V143-E145 PolarHBondContact O-N 2.98Å; E145-R147 VanDerWaalsContact C-N 3.34Å; E145-R147 PolarHBondContact O-N 2.83Å; E145-K148 PolarHBondContact O-N 2.94Å; E145-R149 WeakPolarHBondContact O-CB 3.34Å; E145-R149 PolarHBondContact O-N 2.82Å
146L66.4Low60.2Low41 Ų41101.2 Ų101.222%0.21554%0.538CS..Hα-helixtrans-57-46.2161.7-74.8172.3000111.6D138 I141 A142 V143 K148 R149 Y150D138-L146 HydrophobicContact CB-CD2 3.55Å; D138-L146 WeakPolarHBondContact OD1-CD2 3.42Å; I141-L146 HydrophobicContact CB-CG 4.44Å; I141-L146 HydrophobicContact CG2-CG 4.35Å; A142-L146 PolarHBondContact O-N 2.97Å; V143-L146 PolarHBondContact O-N 3.37Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 2.82Å; L146-R149 PolarHBondContact O-N 2.74Å; L146-Y150 HydrophobicContact CD2-CD2 4.41Å; L146-Y150 HydrophobicContact CD2-CE2 4.06Å; L146-Y150 VanDerWaalsContact O-CD2 3.31Å; L146-Y150 WeakPolarHBondContact O-CD2 3.5Å; L146-Y150 PolarHBondContact O-N 2.77Å
147R71.7Confident59.4Low132 Ų132102.7 Ų102.750%0.49855%0.552SS.*Hα-helixtrans-60-36.2177-78.3173.5164.5176.2-3.3112.9V143 E144 E145 G151 I152V143-R147 WeakPolarHBondContact O-CB 3.4Å; V143-R147 WeakPolarHBondContact O-CG 3.23Å; V143-R147 PolarHBondContact O-N 2.83Å; E144-R147 IonicContact OE1-NH1 3.01Å; E145-R147 VanDerWaalsContact C-N 3.34Å; E145-R147 PolarHBondContact O-N 2.83Å; R147-G151 PolarHBondContact O-N 2.85Å; R147-I152 HydrophobicContact CG-CD1 4.45Å; R147-I152 PolarHBondContact O-N 2.72Å; R147-I152 VanDerWaalsContact O-N 3.08Å
148K75.4Confident58.5Low164 Ų164103.6 Ų103.671%0.71357%0.566SS**Hα-helixtrans-69.8-46173.8-73.6175.1-174.5170.10111.6E144 E145 L146 Y150 G151E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 2.87Å; E145-K148 PolarHBondContact O-N 2.94Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 2.82Å; K148-Y150 VanDerWaalsContact C-N 3.28Å; K148-Y150 PolarHBondContact O-N 3.29Å; K148-G151 PolarHBondContact O-N 3.25Å
149R74.6Confident56.8Low118 Ų118110.8 Ų110.845%0.44561%0.605SS.*Hα-helixtrans-59.2-39.8179.9-173.8176.5-77.9-159.9-14.2111.7E137 D138 E145 L146E137-R149 IonicContact OE2-NH1 2.66Å; E137-R149 IonicContact OE2-NH2 3.95Å; D138-R149 VanDerWaalsContact OD1-CD 3.32Å; D138-R149 WeakPolarHBondContact OD1-CD 3.37Å; D138-R149 IonicContact OD1-CZ 3.85Å; D138-R149 IonicContact OD1-NE 3.41Å; D138-R149 IonicContact OD1-NH1 2.77Å; D138-R149 PolarHBondContact OD1-NH1 2.72Å; E145-R149 WeakPolarHBondContact O-CB 3.34Å; E145-R149 PolarHBondContact O-N 2.82Å; L146-R149 PolarHBondContact O-N 2.74Å
150Y77.7Confident55.9Low140 Ų140112.2 Ų112.255%0.54962%0.615SS.*THydrogen-bonded Turntrans-95.97.9-179.3-70.5-71.5000115.3D138 L146 K148 I152D138-Y150 WeakPolarHBondContact OD2-CE2 3.29Å; D138-Y150 PolarHBondContact OD2-OH 3.18Å; L146-Y150 HydrophobicContact CD2-CD2 4.41Å; L146-Y150 HydrophobicContact CD2-CE2 4.06Å; L146-Y150 VanDerWaalsContact O-CD2 3.31Å; L146-Y150 WeakPolarHBondContact O-CD2 3.5Å; L146-Y150 PolarHBondContact O-N 2.77Å; K148-Y150 VanDerWaalsContact C-N 3.28Å; K148-Y150 PolarHBondContact O-N 3.29Å; Y150-I152 VanDerWaalsContact C-N 3.28Å; Y150-I152 PolarHBondContact O-N 2.89Å
151G58.8Low54.9Low61 Ų61116.6 Ų116.663%0.62963%0.625SS**THydrogen-bonded Turntrans63.127.6171.800000115.2R147 K148 S153R147-G151 PolarHBondContact O-N 2.85Å; K148-G151 PolarHBondContact O-N 3.25Å; G151-S153 PolarHBondContact O-N 2.97Å
152I57.6Low53.1Low113 Ų113126.4 Ų126.458%0.57966%0.66SS**  trans-74.393.5-179.6-55.7177.7000108.7R147 Y150R147-I152 HydrophobicContact CG-CD1 4.45Å; R147-I152 PolarHBondContact O-N 2.72Å; R147-I152 VanDerWaalsContact O-N 3.08Å; Y150-I152 VanDerWaalsContact C-N 3.28Å; Y150-I152 PolarHBondContact O-N 2.89Å
153S44.8Very low51Low90 Ų90135.7 Ų135.763%0.62968%0.682SS**  trans-73.1132179.579.50000111.7G151 S155G151-S153 PolarHBondContact O-N 2.97Å; S153-S155 PolarHBondContact O-N 3.27Å; S153-S155 VanDerWaalsContact O-N 3.17Å
154S38.9Very low49.1Very low131 Ų131136.4 Ų136.492%0.91669%0.691SS**  trans-80.391.2173-5.90000110.4
155S36.4Very low47Very low88 Ų88136.5 Ų136.562%0.61570%0.7SS**  trans-151.5114.2163.956.80000106.5S153S153-S155 PolarHBondContact O-N 3.27Å; S153-S155 VanDerWaalsContact O-N 3.17Å
156E35.2Very low44.8Very low181 Ų181139.8 Ų139.885%0.84672%0.715SS**  -169.5120.275.3-81.5179.8158.500106.7
157M31.7Very low42.9Very low172 Ų172145.3 Ų145.385%0.84774%0.742SS**  137.4157.891.4-91.7-111.2-81.400107.6
158P32.3Very low40.8Very low114 Ų114145.9 Ų145.974%0.7475%0.754SS**  -129.6161.5-52.231.1-11.6000113.3
159N29.6Very low38.3Very low171 Ų171143.2 Ų143.291%0.91476%0.756SS**  trans-44.6131.8179.8-84.3-49.6000118.1
160S37.2Very low36.2Very low119 Ų119146.5 Ų146.583%0.83277%0.774SS**  trans-124.7100.3151171.10000111
161K35.1Very low33.6Very low196 Ų196148.1 Ų148.185%0.85279%0.787SS**  trans9.1110.8157.9-68.9174.2177.9173.10120.2
162R28Very low32.2Very low243 Ų243153.4 Ų153.492%0.91780%0.795SS**  14.4126.3127.9-64.1-178.8179.1-179.4-1.2118.5
163R27.9Very low30.9Very low255 Ų255152.5 Ų152.596%0.96280%0.799SS**  -153.6129.6116.8-112.6178.2-178.1-174.3-0.5110.5
164S27.9Very low30Very low102 Ų102155.6 Ų155.671%0.71381%0.808SS**  trans-91.3159.7-176.552.80000112.2
165T27.1Very low29.7Very low124 Ų124159.6 Ų159.676%0.76181%0.805SS**  trans78.4125.9143.335.20000120.6
166E26.9Very low29.5Very low180 Ų180163.3 Ų163.384%0.84181%0.812SS**  trans97.4125145.6-77.3-179.5170.500119.4
167M25.2Very low29.1Very low157 Ų157164.6 Ų164.677%0.77382%0.815SS**  trans85114.5139.7-125.2172.769.800116.8
168L29.3Very low29.1Very low145 Ų145164.7 Ų164.776%0.75981%0.813SS**  151.9125112.8-79.3160.7000111.6
169S22.3Very low29Very low108 Ų108169.1 Ų169.176%0.75582%0.821SS**  trans-61132.5156.950.40000110.3
170F29.9Very low28.8Very low186 Ų186165.3 Ų165.382%0.81681%0.814SS**  trans-153.6124.1161.1-144.9-102.7000110.1
171E23.8Very low28.6Very low175 Ų175168 Ų16882%0.81881%0.813SS**  trans-78.3179.1165.7-66176.7141.300110.3
172E30Very low28.4Very low172 Ų172166.5 Ų166.580%0.80481%0.814SS**  trans82.3138.2176.2-59-176.2149.300115.4
173S28.6Very low28.5Very low94 Ų94158 Ų15866%0.65780%0.803SS**  cis178.5149.5-5.749.10000107.2
174D27.4Very low28.5Very low154 Ų154153.3 Ų153.382%0.82480%0.795SS**  trans53.1103.6147-63.1-16.1000121.5
175Y31.6Very low28.9Very low216 Ų216157 Ų15785%0.84780%0.801SS**  trans-116.7100.8144.1-104.9-91.2000109.8
176Q31.9Very low29.2Very low165 Ų165158.5 Ų158.577%0.77180%0.799SS**  trans44.797.6137.2-56.9-177.9-23.500117.1
177K28.3Very low29.5Very low208 Ų208156.9 Ų156.990%0.90480%0.801SS**  47.294.371.4-83.3-168.9-177.9177.60117.1
178E30.9Very low29.9Very low175 Ų175157.4 Ų157.482%0.81880%0.802SS**  trans169.2105.7137.1-98.2176.317100104.4
179F29.4Very low30.2Very low207 Ų207160.9 Ų160.991%0.90881%0.805SS**  -159126.577.7-89.9-95.4000108.9
180A26.2Very low30.8Very low91 Ų91163.4 Ų163.475%0.75281%0.809SS**  trans-117.3128.4161.500000106.8
181E32.1Very low31Very low175 Ų175162.2 Ų162.282%0.81881%0.806SS**  trans163.1133.7137.9-91.1173.2-177.200110.3
182N32.1Very low31.7Very low165 Ų165160.6 Ų160.688%0.88281%0.808SS**  trans79.7126.8175-43.8-42.1000114.1
183G29.2Very low31.9Very low65 Ų65158 Ų15867%0.6781%0.806SS**  cis165.3143.711.300000106.8H185G183-H185 PolarHBondContact O-N 3.33Å
184I29.4Very low32.3Very low155 Ų155159.3 Ų159.380%0.79582%0.815SS**  trans-44.5127176.2-64.1150.3000111.2Q186I184-Q186 HydrophobicContact CG2-CG 4.25Å
185H34.8Very low32.8Very low181 Ų181160.4 Ų160.484%0.83882%0.815SS**  trans-121.8103159-103-74.2000110.4G183G183-H185 PolarHBondContact O-N 3.33Å
186Q34.2Very low33Very low155 Ų155156.7 Ų156.772%0.72481%0.81SS**  trans-60.7143.1161.8-71.5172.4-16.300109.4I184 E188I184-Q186 HydrophobicContact CG2-CG 4.25Å; Q186-E188 PolarHBondContact O-N 3.44Å; Q186-E188 VanDerWaalsContact O-N 3.11Å
187T33.7Very low33.3Very low146 Ų146157.3 Ų157.390%0.89682%0.818SS**  trans-61.8104.4162.848.90000109R189T187-R189 PolarHBondContact O-N 2.96Å
188E33.6Very low33.8Very low168 Ų168153.9 Ų153.979%0.78581%0.808SS**  trans-76115.8170.9-82.1-174.3157.200110.2Q186Q186-E188 PolarHBondContact O-N 3.44Å; Q186-E188 VanDerWaalsContact O-N 3.11Å
189R35Very low34.2Very low217 Ų217153 Ų15382%0.81981%0.809SS**  trans-78.4109.8159.2-178.8-178.6-76.8-131.5-2.7106.6T187 E191T187-R189 PolarHBondContact O-N 2.96Å; R189-E191 PolarHBondContact O-N 3.33Å; R189-E191 VanDerWaalsContact O-N 3.12Å
190L34.5Very low34.5Very low161 Ų161146.6 Ų146.684%0.84380%0.802SS**  trans-71100.3173.4-81160.3000109.7
191E34.8Very low35.1Very low161 Ų161148.3 Ų148.375%0.75281%0.805SS**PPolyproline II helixtrans-87.5127.7159.4-72.2-174.3169.600109.1R189R189-E191 PolarHBondContact O-N 3.33Å; R189-E191 VanDerWaalsContact O-N 3.12Å
192V37.6Very low35.5Very low141 Ų141145.4 Ų145.486%0.85580%0.802SS**PPolyproline II helixtrans-79.6123.8177.9-171.30000108.9
193P34.8Very low35.9Very low118 Ų118145 Ų14577%0.76680%0.799SS**PPolyproline II helixtrans-90.8133.3175.26.911.3000111
194S36Very low36.4Very low121 Ų121147.1 Ų147.185%0.84680%0.804SS**  trans-121.7104.2161.460.80000109.2
195E38.6Very low36.8Very low178 Ų178143.3 Ų143.383%0.83280%0.803SS**  trans-117.5122.1163.6-77-161167.200110.3
196D35Very low37Very low138 Ų138141.9 Ų141.974%0.73880%0.801SS**  trans50.1103.9133.1-63.2-15.8000120.5
197L38.3Very low37.1Very low177 Ų177140.8 Ų140.893%0.92781%0.806SS**  trans-125.6120.6144.3-77.7175.3000111.5
198L39.9Very low37.2Very low136 Ų136138 Ų13871%0.71280%0.797SS**  trans-55.4143.6178.8-75.384000115.3
199N38.1Very low37.4Very low157 Ų157138.1 Ų138.184%0.8480%0.801SS**  139.7121.3114-85.7-37.2000115
200G36.6Very low37.5Very low72 Ų72133.1 Ų133.174%0.74280%0.8SS**  trans128.5133.814000000116.6
201P38.9Very low37.7Very low128 Ų128131.2 Ų131.283%0.83180%0.797SS**  trans-127-158-138.143.7-24.2000113.4
202P40.8Very low37.8Very low114 Ų114133.8 Ų133.874%0.7481%0.806SS**  -120.4169.7-100.834.1-14.4000113.7
203N39Very low37.4Very low156 Ų156137.4 Ų137.483%0.83480%0.804SS**  trans-155.9110.9152.4-123.1-3000115.6
204S41.4Very low37.5Very low109 Ų109136.8 Ų136.876%0.76281%0.809SS**  trans36.4126.3138.266.50000122.5
205G37.2Very low37.3Very low75 Ų75138.7 Ų138.777%0.77380%0.802SS**  trans161.777.2148.400000117.4
206N38.5Very low37.2Very low152 Ų152136.8 Ų136.881%0.81380%0.802SS**  trans9.5139.7143.8-72.2-7.9000118.7
207T37.6Very low37.2Very low132 Ų132138.5 Ų138.581%0.8181%0.806SS**  cis-175.1148.937.6-00000111.8
208A34.7Very low36.9Very low87 Ų87137.5 Ų137.572%0.71980%0.801SS**  trans-10.9149160.300000119.9
209I37.6Very low36.8Very low171 Ų171140.4 Ų140.488%0.87781%0.811SS**  -160141.872.9-78.6157.3000112.2
210S37.1Very low36.5Very low112 Ų112138 Ų13878%0.78381%0.807SS**  trans-87.2173.7-174.6-77.30000115.9
211P38.3Very low36.5Very low121 Ų121143.5 Ų143.579%0.78681%0.813SS**  trans-108.8179.4-153.941.3-32.8000115
212K37.2Very low36.1Very low214 Ų214143.5 Ų143.593%0.9381%0.811SS**  trans-138.5136.3161.4-81-169.5177.7179.20113.5
213R30.4Very low35.8Very low217 Ų217147.7 Ų147.782%0.81982%0.818SS**  trans-91.4149.1-179.8-178.8-175.8-166.51806.2110.3
214A36.8Very low35.5Very low106 Ų106145.6 Ų145.688%0.87681%0.811SS**  trans-149.6128.515300000110.5
215K30.8Very low35.2Very low161 Ų161148.1 Ų148.170%0.781%0.81SS**  trans-100.4147.5166-77.1-179.7164.3-166.80107.9
216V37.1Very low34.9Very low137 Ų137150.5 Ų150.583%0.8381%0.805SS**  trans-161.6110.7148.7-174.20000104.8
217E35.6Very low34.8Very low175 Ų175151.1 Ų151.182%0.81881%0.808SS**  70.3100.375.2-73.9-177.4-168.400115.5
218D31.3Very low34.5Very low155 Ų155153.3 Ų153.383%0.82981%0.809SS**  trans5.6130.7139.9-144.211.5000120
219E37.4Very low34.6Very low198 Ų198161 Ų16193%0.92582%0.82SS**  trans-157.6132.7143.1-73.5-158.9154.200111.4
220S31.3Very low34.3Very low106 Ų106160.5 Ų160.574%0.74182%0.819SS**  trans-91.2141.1175.9540000112.3
221E38.1Very low34.3Very low188 Ų188161.1 Ų161.188%0.87982%0.822SS**  trans-151.1131.2151.2-77-158.6157.800113
222T30.4Very low34.2Very low128 Ų128160 Ų16079%0.78582%0.817SS**  trans-80.4144169.344.10000111.8
223F34.4Very low34.1Very low201 Ų201158.2 Ų158.288%0.88282%0.818SS**  trans-146.3141.6155.5-114.9-86.7000112.9
224V31.7Very low34.3Very low113 Ų113151.2 Ų151.269%0.68581%0.813SS**  trans-112.7150.8-167.4167.90000110.4
225E34.8Very low34.3Very low161 Ų161154.1 Ų154.175%0.75281%0.814SS**  trans82.4127.5151.6-90.1175.7-174.800125
226N32.2Very low34.6Very low126 Ų126150.9 Ų150.967%0.67482%0.817SS**  trans65.5117.2134.4-73.9-25.8000121.2
227N35.9Very low34.7Very low164 Ų164150.3 Ų150.388%0.87782%0.819SS**  -170.4133.5109.5-102-43.5000114.4
228Q31.9Very low35.3Very low178 Ų178148 Ų14883%0.83282%0.819SS**  trans-62.3153.1165.2-66.1169.7-23.600112.2
229R36.2Very low35.6Very low248 Ų248145.4 Ų145.494%0.93682%0.819SS**  trans-166.3122.1141.7-104.9166.4-151.5-174.86.9113
230N32.2Very low35.6Very low162 Ų162143.3 Ų143.387%0.86682%0.815SS**  trans-65.3159.4165.9-86.7-23.5000113.6
231C35.8Very low35.8Very low124 Ų124149 Ų14984%0.83882%0.821SS**  trans178.8103.7141.4-88.40000107.8
232S37.4Very low35.8Very low99 Ų99144.4 Ų144.469%0.69281%0.81SS**  81109.174.6700000117.4
233N33.9Very low36.3Very low176 Ų176145.1 Ų145.194%0.94181%0.809SS**  trans57.3140.5134.3-60.7-8.4000125.1
234G35.6Very low36.4Very low70 Ų70139.6 Ų139.672%0.72280%0.795SS**  trans155.289154.500000112
235D36.3Very low36.6Very low167 Ų167140.2 Ų140.289%0.89380%0.8SS**  69.412189.8-84.4-23.8000117.2
236A37.8Very low36.5Very low92 Ų92136.7 Ų136.776%0.7680%0.798SS**  15496.7117.800000115.9
237S38.7Very low36.7Very low125 Ų125139.3 Ų139.387%0.87481%0.807SS**  58.7154.6122.6-63.10000126.9
238P48.6Very low36.5Very low126 Ų126139.5 Ų139.582%0.81880%0.802SS**  trans-123.3-177-15738.9-19.1000115.4
239A38.1Very low36.5Very low101 Ų101138 Ų13884%0.83580%0.8SS**  trans-152.7140.4166.300000114.8
240N36.1Very low36.3Very low155 Ų155131 Ų13183%0.82979%0.789SS**  trans-77.8166.3-173.6-62.7-43.3000115.6
241Y36.8Very low36.2Very low224 Ų224132.9 Ų132.988%0.87879%0.792SS**  -164.8143.3113.1-124.6-96.5000113.7
242S37.5Very low36Very low92 Ų92130.8 Ų130.864%0.64379%0.792SS**  trans-67.7164.8-179.750.10000114.1
243D40.1Very low35.5Very low144 Ų144137.2 Ų137.277%0.7780%0.803SS**  -175.5156.173.1-164.57000113
244S36.1Very low35.3Very low84 Ų84135.3 Ų135.359%0.58780%0.797SS**  trans-40.8168.7177.863.90000119.2
245T36.8Very low34.9Very low126 Ų126136.2 Ų136.277%0.77380%0.798SS**  cis-168.1134.736.926.10000107
246A33.1Very low34.6Very low88 Ų88134.5 Ų134.573%0.72779%0.793SS**  86.7130.791.900000117.6
247E36.1Very low34.1Very low181 Ų181135.5 Ų135.585%0.84680%0.795SS**  trans96.5103.3153-50-154.9174.100121.8
248E31.8Very low33.7Very low168 Ų168134.7 Ų134.779%0.78579%0.789SS**  25.6118.9125.6-61.8-179.7173.400119.8
249D32.5Very low33Very low145 Ų145136.9 Ų136.978%0.77579%0.794SS**  164.6136.4106.5-91.3-27000114.8
250S31.8Very low32.6Very low102 Ų102136.1 Ų136.171%0.71380%0.796SS**  trans47.8121.8147.471.90000123.4
251E29.4Very low32.7Very low201 Ų201131.1 Ų131.194%0.93978%0.777SS**  trans57.4112136.9-58.8-164.5175.200120.5
252G30.8Very low33.3Very low80 Ų80123.5 Ų123.583%0.82576%0.756SS**  trans178.999.6166.300000113.9V254G252-V254 PolarHBondContact O-N 3.47Å
253Y26.8Very low33.6Very low234 Ų234129.9 Ų129.992%0.91877%0.766SS**  trans-62.8113.1178.2-162.3-89.3000112.9
254V30.3Very low33.7Very low137 Ų137129.8 Ų129.883%0.8376%0.759SS**  trans-153.3125.2153.3-174.20000110.2G252G252-V254 PolarHBondContact O-N 3.47Å
255A27.4Very low34.2Very low88 Ų88130.6 Ų130.673%0.72775%0.753SS**  trans-77.8135.3177.300000113
256T29.6Very low34.8Very low131 Ų131128.9 Ų128.980%0.80474%0.739SS**  trans-153119.6151.652.40000111.8
257S28.7Very low35.4Very low113 Ų113125.9 Ų125.979%0.7971%0.714SS**  trans1.1124154.261.80000120.7
258S29.4Very low35.9Very low109 Ų109119.3 Ų119.376%0.76269%0.688SS**  174.9102.212857.80000109.4
259D33Very low36.8Very low171 Ų171119.7 Ų119.791%0.91468%0.683SS**  trans-159.280.3159.7-93.4-28.6000109.5A261D259-A261 VanDerWaalsContact C-N 3.25Å; D259-A261 PolarHBondContact O-N 2.92Å
260G31.5Very low37.5Very low86 Ų86115.3 Ų115.389%0.88766%0.659SS**  trans-86.151.5176.100000112.4S262G260-S262 PolarHBondContact O-N 3.2Å
261A37.2Very low38.3Very low50 Ų50110.6 Ų110.641%0.41363%0.626SS.*  trans-70.5119.3166.300000108D259 R263D259-A261 VanDerWaalsContact C-N 3.25Å; D259-A261 PolarHBondContact O-N 2.92Å; A261-R263 PolarHBondContact O-N 2.61Å
262S48.8Very low39.2Very low64 Ų64104.5 Ų104.545%0.44861%0.606SS.*  trans-59.9141.2177.7760000109.2G260 F264 E265 L266G260-S262 PolarHBondContact O-N 3.2Å; S262-F264 PolarHBondContact O-N 3.25Å; S262-E265 WeakPolarHBondContact O-CA 3.29Å; S262-E265 VanDerWaalsContact O-CB 3.32Å; S262-E265 WeakPolarHBondContact O-CB 3.28Å; S262-E265 PolarHBondContact O-N 3.24Å; S262-E265 PolarHBondContact OG-N 3.17Å; S262-L266 PolarHBondContact O-N 2.94Å
263R44.9Very low39.8Very low225 Ų225107.4 Ų107.485%0.84960%0.596SS**Hα-helixtrans-52.6-24.3176-74.8-178.9169.3-179.9-5.2113.1A261 L266 A267A261-R263 PolarHBondContact O-N 2.61Å; R263-L266 PolarHBondContact O-N 2.88Å; R263-A267 PolarHBondContact O-N 3.41Å; R263-A267 VanDerWaalsContact O-N 3.09Å
264F42.7Very low40.4Very low142 Ų14298 Ų9862%0.62356%0.561SS**Hα-helixtrans-65.1-38.2172.8-167.4-96.4000113S262 S268S262-F264 PolarHBondContact O-N 3.25Å; F264-S268 WeakPolarHBondContact O-CB 3Å; F264-S268 PolarHBondContact O-N 2.78Å; F264-S268 VanDerWaalsContact O-N 3.11Å
265E46.4Very low40.8Very low101 Ų10194.8 Ų94.847%0.47254%0.539SS..Hα-helixtrans-72-33.5177.7-161.8169.5-177.900111.8S262 R269S262-E265 WeakPolarHBondContact O-CA 3.29Å; S262-E265 VanDerWaalsContact O-CB 3.32Å; S262-E265 WeakPolarHBondContact O-CB 3.28Å; S262-E265 PolarHBondContact O-N 3.24Å; S262-E265 PolarHBondContact OG-N 3.17Å; E265-R269 WeakPolarHBondContact O-CB 3.46Å; E265-R269 WeakPolarHBondContact O-CG 3.36Å; E265-R269 PolarHBondContact O-N 2.96Å
266L47.7Very low41.4Very low91 Ų9193.5 Ų93.548%0.47653%0.528SS..Hα-helixtrans-65.2-46.6171.4-96.4149.3000112.4S262 R263 S268 R269 L270S262-L266 PolarHBondContact O-N 2.94Å; R263-L266 PolarHBondContact O-N 2.88Å; L266-S268 VanDerWaalsContact C-N 3.32Å; L266-S268 PolarHBondContact O-N 3.44Å; L266-R269 PolarHBondContact O-N 2.89Å; L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 2.9Å
267A45.8Very low41.9Very low24 Ų2496.1 Ų96.120%0.19852%0.523CS..Hα-helixtrans-61.4-39.9176.200000112.2R263 L270 G271 V303R263-A267 PolarHBondContact O-N 3.41Å; R263-A267 VanDerWaalsContact O-N 3.09Å; A267-L270 PolarHBondContact O-N 3.27Å; A267-G271 PolarHBondContact O-N 3.15Å; A267-V303 HydrophobicContact CB-CG1 3.79Å
268S48.1Very low42.6Very low43 Ų4397.5 Ų97.530%0.30152%0.517SS..Hα-helixtrans-66.4-39.8175.5-1710000112.9F264 L266 G271 S272F264-S268 WeakPolarHBondContact O-CB 3Å; F264-S268 PolarHBondContact O-N 2.78Å; F264-S268 VanDerWaalsContact O-N 3.11Å; L266-S268 VanDerWaalsContact C-N 3.32Å; L266-S268 PolarHBondContact O-N 3.44Å; S268-G271 PolarHBondContact O-N 3.26Å; S268-S272 PolarHBondContact O-N 2.7Å; S268-S272 PolarHBondContact O-OG 3.23Å
269R49.4Very low43.3Very low177 Ų17797.5 Ų97.567%0.66851%0.512SS*.Hα-helixtrans-65.3-40.6173.9-82.5-178.6163.5-170-2.3112.5E265 L266 S272 F273E265-R269 WeakPolarHBondContact O-CB 3.46Å; E265-R269 WeakPolarHBondContact O-CG 3.36Å; E265-R269 PolarHBondContact O-N 2.96Å; L266-R269 PolarHBondContact O-N 2.89Å; R269-S272 PolarHBondContact O-N 2.78Å; R269-F273 WeakPolarHBondContact O-CB 3.44Å; R269-F273 PolarHBondContact O-N 3.29Å
270L48.7Very low43.5Very low53 Ų5399.3 Ų99.328%0.27751%0.507SS..Hα-helixtrans-65.6-42.9176.5-74168000111.5L266 A267 S272 F273 L274 V303L266-L270 WeakPolarHBondContact O-CG 3.49Å; L266-L270 PolarHBondContact O-N 2.9Å; A267-L270 PolarHBondContact O-N 3.27Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 2.62Å; L270-F273 PolarHBondContact O-N 3.02Å; L270-L274 WeakPolarHBondContact O-CD1 3.44Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 2.96Å; L270-L274 VanDerWaalsContact O-N 3.09Å; L270-V303 HydrophobicContact CD1-CG1 4.45Å; L270-V303 HydrophobicContact CD1-CG2 3.46Å; L270-V303 VanDerWaalsContact CD1-CG2 3.46Å
271G46.9Very low43.9Very low3 Ų399.6 Ų99.63%0.03150%0.496CS..Hα-helixtrans-56.9-43.9172.200000112.7A267 S268 I275 N396A267-G271 PolarHBondContact O-N 3.15Å; S268-G271 PolarHBondContact O-N 3.26Å; G271-I275 WeakPolarHBondContact O-CD1 3.28Å; G271-I275 VanDerWaalsContact O-CG1 3.28Å; G271-I275 WeakPolarHBondContact O-CG1 3.46Å; G271-I275 PolarHBondContact O-N 2.82Å; G271-N396 WeakPolarHBondContact CA-O 3.44Å
272S49.4Very low43.9Very low73 Ų73104.3 Ų104.351%0.5151%0.514SS..Hα-helixtrans-67.8-38.2177.8-57.40000113.4S268 R269 L270 A276S268-S272 PolarHBondContact O-N 2.7Å; S268-S272 PolarHBondContact O-OG 3.23Å; R269-S272 PolarHBondContact O-N 2.78Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 2.62Å; S272-A276 PolarHBondContact O-N 2.93Å
273F42.8Very low43.1Very low140 Ų140105.6 Ų105.661%0.61452%0.523SS*.Hα-helixtrans-66.4-37.7179.1-174.9-101.2000112.1R269 L270 A276 R277R269-F273 WeakPolarHBondContact O-CB 3.44Å; R269-F273 PolarHBondContact O-N 3.29Å; L270-F273 PolarHBondContact O-N 3.02Å; F273-A276 PolarHBondContact O-N 3.35Å; F273-R277 PolarHBondContact O-N 3.28Å
274L39.3Very low42.6Very low36 Ų36100.7 Ų100.719%0.18852%0.523CS..Hα-helixtrans-74.4-34.9-179.9-72.5158000112.5L270 A276 R277 H278 A296 I399L270-L274 WeakPolarHBondContact O-CD1 3.44Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 2.96Å; L270-L274 VanDerWaalsContact O-N 3.09Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3.01Å; L274-R277 PolarHBondContact O-N 2.91Å; L274-H278 PolarHBondContact O-N 2.93Å; L274-A296 HydrophobicContact CD2-CB 4.46Å; L274-I399 HydrophobicContact CB-CD1 3.38Å; L274-I399 HydrophobicContact CD1-CD1 3.41Å; L274-I399 VanDerWaalsContact CD1-CD1 3.41Å; L274-I399 HydrophobicContact CD2-CD1 3.59Å; L274-I399 HydrophobicContact CG-CD1 3.58Å
275I39.8Very low42.3Very low71 Ų7199.5 Ų99.536%0.36453%0.527SS..Hα-helixtrans-61.4-41.9172-67.8165.1000110.9G271 R277 H278 V279G271-I275 WeakPolarHBondContact O-CD1 3.28Å; G271-I275 VanDerWaalsContact O-CG1 3.28Å; G271-I275 WeakPolarHBondContact O-CG1 3.46Å; G271-I275 PolarHBondContact O-N 2.82Å; I275-R277 PolarHBondContact O-N 2.94Å; I275-H278 PolarHBondContact O-N 3.15Å; I275-V279 HydrophobicContact CG2-CG2 4.34Å; I275-V279 WeakPolarHBondContact O-CG2 3.24Å; I275-V279 PolarHBondContact O-N 3.48Å
276A39Very low41.7Very low60 Ų60104.2 Ų104.250%0.49655%0.549SS..Hα-helixtrans-63.8-28.3-179.900000113.3S272 F273 L274S272-A276 PolarHBondContact O-N 2.93Å; F273-A276 PolarHBondContact O-N 3.35Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 3.01Å
277R40.7Very low40.9Very low187 Ų187107.9 Ų107.971%0.70656%0.562SS**Hα-helixtrans-80.1-24.5-179.5-160.7172.4163.9163-8.1113F273 L274 I275F273-R277 PolarHBondContact O-N 3.28Å; L274-R277 PolarHBondContact O-N 2.91Å; I275-R277 PolarHBondContact O-N 2.94Å
278H42.3Very low40.2Very low142 Ų142113.7 Ų113.766%0.65759%0.59SS**Hα-helixtrans-89.2-16.7178.2-110.878.5000114.4L274 I275 Y280L274-H278 PolarHBondContact O-N 2.93Å; I275-H278 PolarHBondContact O-N 3.15Å; H278-Y280 VanDerWaalsContact C-N 3.31Å; H278-Y280 PolarHBondContact O-N 3Å
279V44.8Very low39.6Very low108 Ų108118.9 Ų118.966%0.65561%0.614SS**SBendtrans-85.1-1.4-177.8175.60000113I275I275-V279 HydrophobicContact CG2-CG2 4.34Å; I275-V279 WeakPolarHBondContact O-CG2 3.24Å; I275-V279 PolarHBondContact O-N 3.48Å
280Y37.8Very low39.1Very low210 Ų210118.9 Ų118.982%0.82462%0.621SS**  trans-115.468.3175.6-77.3-83.3000112.3H278H278-Y280 VanDerWaalsContact C-N 3.31Å; H278-Y280 PolarHBondContact O-N 3Å
281S38.6Very low38.6Very low92 Ų92121.4 Ų121.464%0.64364%0.642SS**  trans-143.5102.415467.70000109.7
282D37Very low38.4Very low149 Ų149124.1 Ų124.180%0.79766%0.658SS**  trans-66.2143.5176.8-155.4-17.9000110.8
283S33.3Very low38.3Very low90 Ų90124.5 Ų124.563%0.62965%0.654SS**SBendtrans4.4133.6166.749.60000120.8
284S33.3Very low38.6Very low123 Ų123126.2 Ų126.286%0.8666%0.658SS**  trans98.435.4149.376.40000121.9
285V38Very low38.9Very low117 Ų117130.2 Ų130.271%0.70968%0.679SS**  trans-124.4126.2171.2-103.60000112.1F287V285-F287 PolarHBondContact O-N 3.06Å
286E32Very low39.2Very low199 Ų199127.2 Ų127.293%0.9367%0.665SS**PPolyproline II helixtrans-59.5122.3170.3-65.8-174168.400108.8
287F31.9Very low39.4Very low169 Ų169125.2 Ų125.274%0.74165%0.647SS**PPolyproline II helixtrans-83.1120.9-179-95.6-99.7000110.4V285V285-F287 PolarHBondContact O-N 3.06Å
288D31.2Very low39.7Very low146 Ų146118.9 Ų118.978%0.78164%0.635SS**PPolyproline II helixtrans-85.1125.5167.1-146.9-0.4000108.1H290D288-H290 VanDerWaalsContact C-N 3.29Å; D288-H290 PolarHBondContact O-N 3.4Å
289D35.9Very low39.9Very low152 Ų152116.7 Ų116.781%0.81363%0.625SS**SBendtrans-79.256.5-164.9-168.625.8000113.4
290H38.1Very low39.9Very low176 Ų176113.1 Ų113.182%0.81560%0.601SS**  trans-150.517.6-174.9-95-43.9000119.3D288 V292D288-H290 VanDerWaalsContact C-N 3.29Å; D288-H290 PolarHBondContact O-N 3.4Å; H290-V292 PolarHBondContact O-N 3.1Å
291C39.3Very low40.3Very low107 Ų107110.3 Ų110.372%0.72359%0.588SS**  trans-97.58117464.10000113.1D293C291-D293 PolarHBondContact O-N 2.86Å
292V42.2Very low40.8Very low59 Ų59113.8 Ų113.836%0.35859%0.594SS.*  trans-76.9116.3161-172.90000107.6H290 Y294 V297H290-V292 PolarHBondContact O-N 3.1Å; V292-Y294 VanDerWaalsContact C-N 3.31Å; V292-Y294 HydrophobicContact CB-CD2 4.4Å; V292-Y294 HydrophobicContact CB-CE2 4.14Å; V292-Y294 WeakPolarHBondContact O-CD2 3.12Å; V292-Y294 PolarHBondContact O-N 2.81Å; V292-V297 HydrophobicContact CG1-CG2 3.94Å
293D47.6Very low41.2Very low81 Ų81109.5 Ų109.543%0.43357%0.574SS.*  trans-7686172.3-173.9-14.4000109C291 D295 A296 V297C291-D293 PolarHBondContact O-N 2.86Å; D293-D295 PolarHBondContact O-N 2.57Å; D293-D295 PolarHBondContact OD1-N 3.44Å; D293-A296 HydrophobicContact CB-CB 3.98Å; D293-A296 WeakPolarHBondContact O-CB 3.3Å; D293-A296 PolarHBondContact O-N 3.29Å; D293-A296 PolarHBondContact OD1-N 3.21Å; D293-V297 WeakPolarHBondContact O-CG2 3.3Å; D293-V297 PolarHBondContact O-N 2.79Å
294Y47.4Very low42Very low176 Ų176105.9 Ų105.969%0.6955%0.548SS*.Hα-helixtrans-56.1-28.7-179.7-77.2-83.6000113.1V292 V297 A298V292-Y294 VanDerWaalsContact C-N 3.31Å; V292-Y294 HydrophobicContact CB-CD2 4.4Å; V292-Y294 HydrophobicContact CB-CE2 4.14Å; V292-Y294 WeakPolarHBondContact O-CD2 3.12Å; V292-Y294 PolarHBondContact O-N 2.81Å; Y294-V297 PolarHBondContact O-N 3.47Å; Y294-A298 WeakPolarHBondContact O-CB 3.23Å; Y294-A298 PolarHBondContact O-N 3.02Å
295D47Very low42.6Very low120 Ų120101.2 Ų101.264%0.64252%0.519SS*.Hα-helixtrans-71.4-38.2176.8-69.6-23.6000111D293 A298 Q299D293-D295 PolarHBondContact O-N 2.57Å; D293-D295 PolarHBondContact OD1-N 3.44Å; D295-A298 PolarHBondContact O-N 2.75Å; D295-Q299 WeakPolarHBondContact O-CB 3.46Å; D295-Q299 WeakPolarHBondContact O-CG 3.24Å; D295-Q299 PolarHBondContact O-N 3Å
296A46Very low43.3Very low9 Ų9102 Ų1027%0.07452%0.52CS..Hα-helixtrans-67.7-35.617300000112L274 D293 F300L274-A296 HydrophobicContact CD2-CB 4.46Å; D293-A296 HydrophobicContact CB-CB 3.98Å; D293-A296 WeakPolarHBondContact O-CB 3.3Å; D293-A296 PolarHBondContact O-N 3.29Å; D293-A296 PolarHBondContact OD1-N 3.21Å; A296-F300 WeakPolarHBondContact O-CB 3.32Å; A296-F300 PolarHBondContact O-N 3.07Å
297V43.8Very low44.4Very low18 Ų1894.8 Ų94.811%0.10949%0.486CS..Hα-helixtrans-64.8-45.2172.6178.30000111.2V292 D293 Y294 F300 R301 L403V292-V297 HydrophobicContact CG1-CG2 3.94Å; D293-V297 WeakPolarHBondContact O-CG2 3.3Å; D293-V297 PolarHBondContact O-N 2.79Å; Y294-V297 PolarHBondContact O-N 3.47Å; V297-F300 PolarHBondContact O-N 3.22Å; V297-R301 WeakPolarHBondContact O-CB 3.37Å; V297-R301 WeakPolarHBondContact O-CG 3.24Å; V297-R301 PolarHBondContact O-N 2.89Å; V297-L403 HydrophobicContact CB-CD2 3.73Å; V297-L403 HydrophobicContact CG1-CD2 3.36Å; V297-L403 HydrophobicContact CG2-CD2 3.26Å
298A46.6Very low45.6Very low54 Ų5487 Ų8745%0.44645%0.453SS..Hα-helixtrans-63.3-46.1177.800000111.2Y294 D295 F300 R301 E302Y294-A298 WeakPolarHBondContact O-CB 3.23Å; Y294-A298 PolarHBondContact O-N 3.02Å; D295-A298 PolarHBondContact O-N 2.75Å; A298-F300 VanDerWaalsContact C-N 3.35Å; A298-F300 PolarHBondContact O-N 2.89Å; A298-R301 CarbonylContact O-C 3.54Å; A298-R301 PolarHBondContact O-N 3.35Å; A298-E302 WeakPolarHBondContact O-CB 3.47Å; A298-E302 PolarHBondContact O-N 2.91Å
299Q46.8Very low46.8Very low96 Ų9680 Ų8045%0.44942%0.416SS..Hα-helixtrans-64.4-38174.8-74.5174.315.800112.3D295 E302 V303D295-Q299 WeakPolarHBondContact O-CB 3.46Å; D295-Q299 WeakPolarHBondContact O-CG 3.24Å; D295-Q299 PolarHBondContact O-N 3Å; Q299-E302 PolarHBondContact O-N 3.47Å; Q299-V303 WeakPolarHBondContact O-CB 3.36Å; Q299-V303 WeakPolarHBondContact O-CG2 3.33Å; Q299-V303 PolarHBondContact O-N 3.35Å
300F43.8Very low47.9Very low33 Ų3373.8 Ų73.815%0.14538%0.383CS..Hα-helixtrans-63.7-46.7174.9-175.6-98.5000110.7A296 V297 A298 E302 V303 T304 W389 L400 L403A296-F300 WeakPolarHBondContact O-CB 3.32Å; A296-F300 PolarHBondContact O-N 3.07Å; V297-F300 PolarHBondContact O-N 3.22Å; A298-F300 VanDerWaalsContact C-N 3.35Å; A298-F300 PolarHBondContact O-N 2.89Å; F300-E302 VanDerWaalsContact C-N 3.29Å; F300-E302 PolarHBondContact O-N 3.11Å; F300-V303 CarbonylContact O-C 3.6Å; F300-V303 PolarHBondContact O-N 2.75Å; F300-V303 VanDerWaalsContact O-N 3.08Å; F300-T304 HydrophobicContact CD1-CG2 4.14Å; F300-T304 HydrophobicContact CD2-CG2 4.16Å; F300-T304 HydrophobicContact CE1-CG2 3.75Å; F300-T304 HydrophobicContact CE2-CG2 3.78Å; F300-T304 HydrophobicContact CG-CG2 4.34Å; F300-T304 HydrophobicContact CZ-CG2 3.56Å; F300-T304 WeakPolarHBondContact O-CB 3.47Å; F300-T304 WeakPolarHBondContact O-CG2 3.3Å; F300-T304 PolarHBondContact O-N 3.19Å; F300-T304 PolarHBondContact O-OG1 2.98Å; F300-W389 HydrophobicContact CE1-CH2 4.38Å; F300-W389 HydrophobicContact CE1-CZ2 4.44Å; F300-W389 AromaticContact CZ-CH2 3.92Å; F300-W389 HydrophobicContact CZ-CH2 3.92Å; F300-W389 AromaticContact CZ-CZ2 3.78Å; F300-W389 HydrophobicContact CZ-CZ2 3.78Å; F300-L400 HydrophobicContact CE1-CD2 4.04Å; F300-L400 HydrophobicContact CE2-CG 4.48Å; F300-L400 HydrophobicContact CZ-CD1 4.31Å; F300-L400 HydrophobicContact CZ-CD2 3.71Å; F300-L400 HydrophobicContact CZ-CG 4.05Å; F300-L403 HydrophobicContact CD1-CD1 3.49Å; F300-L403 VanDerWaalsContact CD1-CD1 3.49Å; F300-L403 HydrophobicContact CE1-CD1 3.71Å; F300-L403 HydrophobicContact CG-CD1 4.1Å; F300-L403 HydrophobicContact CZ-CD1 4.47Å
301R47.3Very low49.4Very low150 Ų15070.2 Ų70.257%0.56637%0.37SS*.Hα-helixtrans-63.4-30.8172.5-76-178.8171.7172.8-1.7112.8V297 A298 V303 G305V297-R301 WeakPolarHBondContact O-CB 3.37Å; V297-R301 WeakPolarHBondContact O-CG 3.24Å; V297-R301 PolarHBondContact O-N 2.89Å; A298-R301 CarbonylContact O-C 3.54Å; A298-R301 PolarHBondContact O-N 3.35Å; R301-V303 VanDerWaalsContact C-N 3.27Å; R301-V303 PolarHBondContact O-N 3.5Å; R301-G305 WeakPolarHBondContact O-CA 3.22Å; R301-G305 PolarHBondContact O-N 3.04Å
302E47.6Very low51.5Low165 Ų16565.2 Ų65.277%0.77134%0.336SS*.Hα-helixtrans-69.9-30.3173.9-163.4178.8178.100111.3A298 Q299 F300A298-E302 WeakPolarHBondContact O-CB 3.47Å; A298-E302 PolarHBondContact O-N 2.91Å; Q299-E302 PolarHBondContact O-N 3.47Å; F300-E302 VanDerWaalsContact C-N 3.29Å; F300-E302 PolarHBondContact O-N 3.11Å
303V46.5Very low53.8Low60 Ų6062.4 Ų62.436%0.36432%0.319SS..Hα-helixtrans-87.7-33.8-178.81760000112.5A267 L270 Q299 F300 R301A267-V303 HydrophobicContact CB-CG1 3.79Å; L270-V303 HydrophobicContact CD1-CG1 4.45Å; L270-V303 HydrophobicContact CD1-CG2 3.46Å; L270-V303 VanDerWaalsContact CD1-CG2 3.46Å; Q299-V303 WeakPolarHBondContact O-CB 3.36Å; Q299-V303 WeakPolarHBondContact O-CG2 3.33Å; Q299-V303 PolarHBondContact O-N 3.35Å; F300-V303 CarbonylContact O-C 3.6Å; F300-V303 PolarHBondContact O-N 2.75Å; F300-V303 VanDerWaalsContact O-N 3.08Å; R301-V303 VanDerWaalsContact C-N 3.27Å; R301-V303 PolarHBondContact O-N 3.5Å
304T49.4Very low56.1Low13 Ų1358.5 Ų58.58%0.0830%0.298CS..Hα-helixtrans-104.1-27.9-178.963.30000113.8F300 N306 M307 W389F300-T304 HydrophobicContact CD1-CG2 4.14Å; F300-T304 HydrophobicContact CD2-CG2 4.16Å; F300-T304 HydrophobicContact CE1-CG2 3.75Å; F300-T304 HydrophobicContact CE2-CG2 3.78Å; F300-T304 HydrophobicContact CG-CG2 4.34Å; F300-T304 HydrophobicContact CZ-CG2 3.56Å; F300-T304 WeakPolarHBondContact O-CB 3.47Å; F300-T304 WeakPolarHBondContact O-CG2 3.3Å; F300-T304 PolarHBondContact O-N 3.19Å; F300-T304 PolarHBondContact O-OG1 2.98Å; T304-N306 PolarHBondContact O-N 3.07Å; T304-M307 PolarHBondContact O-N 3.27Å; T304-M307 VanDerWaalsContact O-N 3.07Å; T304-W389 HydrophobicContact CG2-CH2 3.86Å
305G46.3Very low58.5Low26 Ų2650.1 Ų50.127%0.26827%0.265SS..THydrogen-bonded Turntrans-81.962.6-161.500000114R301R301-G305 WeakPolarHBondContact O-CA 3.22Å; R301-G305 PolarHBondContact O-N 3.04Å
306N53.5Low61Low134 Ų13444.4 Ų44.472%0.71724%0.235SC*.THydrogen-bonded Turntrans-173.735.9148.9-86.2-25.8000107.9T304 P308T304-N306 PolarHBondContact O-N 3.07Å; N306-P308 VanDerWaalsContact O-CD 3.26Å; N306-P308 WeakPolarHBondContact O-CD 3.45Å
307M55.1Low63.5Low46 Ų4644 Ų4423%0.22723%0.231CC..  trans-80.8118.4178.1-106.6-172.1-167.300110F109 T304 G309 V310 F393F109-M307 HydrophobicContact CE2-SD 4.33Å; F109-M307 HydrophobicContact CZ-CE 4.05Å; F109-M307 HydrophobicContact CZ-CG 4.47Å; F109-M307 HydrophobicContact CZ-SD 3.9Å; T304-M307 PolarHBondContact O-N 3.27Å; T304-M307 VanDerWaalsContact O-N 3.07Å; M307-G309 PolarHBondContact O-N 3.33Å; M307-V310 HydrophobicContact CB-CB 4.22Å; M307-V310 HydrophobicContact CB-CG2 3.84Å; M307-V310 WeakPolarHBondContact O-CB 3.42Å; M307-V310 PolarHBondContact O-N 2.74Å; M307-V310 VanDerWaalsContact O-N 3.15Å; M307-F393 HydrophobicContact CE-CZ 4.11Å; M307-F393 HydrophobicContact SD-CE2 4.05Å; M307-F393 HydrophobicContact SD-CZ 4.08Å
308P56.9Low66.1Low6 Ų643.1 Ų43.14%0.03923%0.226CC..THydrogen-bonded Turntrans-55.5134.5176.7-30.942.3000111.5E64 L112 K113 A116 N306 V310E64-P308 HydrophobicContact CB-CB 4.45Å; E64-P308 HydrophobicContact CG-CB 3.88Å; E64-P308 WeakPolarHBondContact OE1-CA 3.26Å; L112-P308 HydrophobicContact CB-CB 3.97Å; K113-P308 HydrophobicContact CG-CG 4.29Å; A116-P308 HydrophobicContact CB-CB 4.1Å; A116-P308 HydrophobicContact CB-CG 3.3Å; N306-P308 VanDerWaalsContact O-CD 3.26Å; N306-P308 WeakPolarHBondContact O-CD 3.45Å; P308-V310 VanDerWaalsContact C-N 3.29Å; P308-V310 PolarHBondContact O-N 3Å
309G55Low68.6Low0 Ų040.6 Ų40.60%021%0.205CC..THydrogen-bonded Turntrans83.7-8.7-179.900000115.8M307 S312 T387 L388M307-G309 PolarHBondContact O-N 3.33Å; G309-S312 CarbonylContact C-O 3.59Å; G309-S312 WeakPolarHBondContact CA-OG 3.5Å; G309-S312 PolarHBondContact N-OG 3.17Å; G309-T387 PolarHBondContact O-N 2.91Å; G309-L388 PolarHBondContact O-N 2.92Å
310V59.9Low71Confident21 Ų2136 Ų3613%0.12718%0.184CC..THydrogen-bonded Turntrans-86.9-59.2174.1169.70000110.5L104 M307 P308 W389L104-V310 HydrophobicContact CD2-CG2 4.45Å; M307-V310 HydrophobicContact CB-CB 4.22Å; M307-V310 HydrophobicContact CB-CG2 3.84Å; M307-V310 WeakPolarHBondContact O-CB 3.42Å; M307-V310 PolarHBondContact O-N 2.74Å; M307-V310 VanDerWaalsContact O-N 3.15Å; P308-V310 VanDerWaalsContact C-N 3.29Å; P308-V310 PolarHBondContact O-N 3Å; V310-W389 HydrophobicContact CB-CE3 4.19Å; V310-W389 HydrophobicContact CB-CZ3 4.41Å; V310-W389 HydrophobicContact CG1-CE3 3.37Å; V310-W389 HydrophobicContact CG1-CZ3 3.66Å; V310-W389 HydrophobicContact CG2-CE3 3.74Å; V310-W389 HydrophobicContact CG2-CZ3 3.9Å
311D70.1Confident73.6Confident101 Ų10134.9 Ų34.954%0.5418%0.179SC..SBendtrans-96.7-11.1-179.3-61.9-40.8000112.2
312S83.7Confident75.9Confident1 Ų129.1 Ų29.11%0.00716%0.157CC..  trans-105.6146.9177.6690000111.6H60 E64 V65 G309 T387H60-S312 CarbonylContact O-C 3.57Å; H60-S312 WeakPolarHBondContact O-CA 3.1Å; E64-S312 WeakPolarHBondContact CG-OG 3.33Å; E64-S312 PolarHBondContact OE1-OG 3.11Å; V65-S312 VanDerWaalsContact CG2-OG 3.27Å; V65-S312 WeakPolarHBondContact CG2-OG 3.48Å; G309-S312 CarbonylContact C-O 3.59Å; G309-S312 WeakPolarHBondContact CA-OG 3.5Å; G309-S312 PolarHBondContact N-OG 3.17Å; S312-T387 PolarHBondContact O-N 3.36Å; S312-T387 VanDerWaalsContact O-N 3.14Å
313G90.6Very high78.1Confident0 Ų027.3 Ų27.30%015%0.153CC..EExtended strand (participates in β ladder)trans-151.4-176.4173.100000111.5G59 H60 I385G59-G313 WeakPolarHBondContact CA-O 3.11Å; H60-G313 PolarHBondContact N-O 3.26Å; H60-G313 WeakPolarHBondContact NE2-CA 3.41Å; H60-G313 PolarHBondContact O-N 3.21Å; G313-I385 CarbonylContact C-O 3.53Å; G313-I385 WeakPolarHBondContact CA-O 3.08Å
314T95.5Very high80.4Confident0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-151.4148.2175.6-166.60000111.9Y57 D58 V65 A66 A69 A384 I385Y57-T314 WeakPolarHBondContact CB-OG1 3.15Å; D58-T314 VanDerWaalsContact C-OG1 3.26Å; D58-T314 PolarHBondContact N-OG1 3.09Å; D58-T314 CarbonylContact O-C 3.55Å; D58-T314 WeakPolarHBondContact O-CA 3.18Å; D58-T314 PolarHBondContact O-OG1 2.84Å; V65-T314 HydrophobicContact CB-CG2 4.34Å; V65-T314 HydrophobicContact CG1-CG2 3.72Å; A66-T314 WeakPolarHBondContact CB-OG1 3.43Å; A69-T314 HydrophobicContact CB-CG2 4.41Å; T314-A384 WeakPolarHBondContact O-CA 3.21Å; T314-I385 HydrophobicContact CG2-CB 4.07Å; T314-I385 PolarHBondContact N-O 2.96Å; T314-I385 PolarHBondContact O-N 3.28Å
315T97.7Very high82.7Confident0 Ų031 Ų310%017%0.165CC..  trans-72.5167160.378.20000109.6Y57 D58 V331 S334 L381Y57-T315 WeakPolarHBondContact CA-O 3.48Å; D58-T315 HydrophobicContact CB-CG2 4Å; D58-T315 WeakPolarHBondContact CB-OG1 3.26Å; D58-T315 PolarHBondContact N-OG1 2.78Å; D58-T315 VanDerWaalsContact N-OG1 3.1Å; D58-T315 PolarHBondContact O-N 3.08Å; T315-V331 CarbonylContact C-O 3.54Å; T315-V331 VanDerWaalsContact CA-O 3.28Å; T315-V331 WeakPolarHBondContact CA-O 3.31Å; T315-V331 VanDerWaalsContact CB-O 3.27Å; T315-V331 WeakPolarHBondContact CB-O 3.2Å; T315-S334 PolarHBondContact OG1-OG 2.92Å; T315-S334 VanDerWaalsContact OG1-OG 3.06Å; T315-L381 HydrophobicContact CG2-CD1 3.97Å; T315-L381 HydrophobicContact CG2-CD2 4.08Å
316A98.4Very high85.2Confident0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-152.9111.3173.400000109.6Y57 F96 N330 V331 I385Y57-A316 HydrophobicContact CD1-CB 3.78Å; Y57-A316 HydrophobicContact CE1-CB 3.92Å; F96-A316 HydrophobicContact CE1-CB 3.59Å; F96-A316 HydrophobicContact CZ-CB 4.05Å; A316-N330 CarbonylContact O-C 3.54Å; A316-N330 WeakPolarHBondContact O-CA 3.33Å; A316-V331 PolarHBondContact N-O 2.95Å; A316-V331 PolarHBondContact O-N 3.28Å; A316-I385 HydrophobicContact CB-CD1 3.82Å
317C98.7Very high87.3Confident0 Ų024.9 Ų24.90%012%0.124CC..EExtended strand (participates in β ladder)trans-108.298.8169.6-176.50000108.9A55 V56 N330 C336 I441A55-C317 WeakPolarHBondContact CA-O 2.94Å; V56-C317 PolarHBondContact N-O 3.14Å; V56-C317 PolarHBondContact O-N 3.45Å; C317-N330 WeakPolarHBondContact CB-OD1 3.45Å; C317-C336 VanDerWaalsContact SG-CB 3.59Å; C317-I441 HydrophobicContact CB-CG2 4.11Å
318V98.8Very high89.4Confident0 Ų022.7 Ų22.70%011%0.113CC..EExtended strand (participates in β ladder)trans-104134.4-173.1173.70000110.3F53 A55 F73 L92 F96 V320 V328 A329F53-V318 HydrophobicContact CD2-CG1 4.31Å; F53-V318 HydrophobicContact CE1-CG1 4.17Å; F53-V318 HydrophobicContact CE2-CG1 3.48Å; F53-V318 VanDerWaalsContact CE2-CG1 3.48Å; F53-V318 HydrophobicContact CZ-CB 4.44Å; F53-V318 HydrophobicContact CZ-CG1 3.39Å; F53-V318 HydrophobicContact CZ-CG2 4.2Å; A55-V318 HydrophobicContact CB-CB 4.41Å; A55-V318 HydrophobicContact CB-CG2 3.82Å; F73-V318 HydrophobicContact CD1-CG2 4.45Å; F73-V318 HydrophobicContact CE1-CG2 4.11Å; L92-V318 HydrophobicContact CD2-CG1 4.14Å; F96-V318 HydrophobicContact CE2-CB 4.34Å; F96-V318 HydrophobicContact CE2-CG2 4.08Å; F96-V318 HydrophobicContact CZ-CB 4.11Å; F96-V318 HydrophobicContact CZ-CG2 3.63Å; V318-V320 HydrophobicContact CG1-CG2 4.43Å; V318-V328 CarbonylContact O-C 3.48Å; V318-V328 WeakPolarHBondContact O-CA 3.46Å; V318-A329 HydrophobicContact CB-CB 4.35Å; V318-A329 PolarHBondContact N-O 3.46Å; V318-A329 PolarHBondContact O-N 3.38Å
319V98.8Very high91.4Very high1 Ų122.4 Ų22.41%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-120.6121.3174.3176.50000110F53 F54 V326 Y327 V328 C336 L439 I441F53-V319 CarbonylContact C-O 3.56Å; F53-V319 WeakPolarHBondContact CA-O 3.29Å; F54-V319 HydrophobicContact CB-CB 4.42Å; F54-V319 PolarHBondContact N-O 3.23Å; F54-V319 PolarHBondContact O-N 2.92Å; V319-V326 HydrophobicContact CG1-CG1 3.94Å; V319-Y327 CarbonylContact C-O 3.6Å; V319-Y327 WeakPolarHBondContact CA-O 3.4Å; V319-V328 HydrophobicContact CG2-CG1 4.44Å; V319-V328 HydrophobicContact CG2-CG2 4.18Å; V319-C336 HydrophobicContact CG2-CB 4.45Å; V319-C336 VanDerWaalsContact CG2-SG 3.58Å; V319-L439 HydrophobicContact CB-CD2 4.35Å; V319-L439 HydrophobicContact CG1-CD2 3.7Å; V319-L439 HydrophobicContact CG2-CD2 3.98Å; V319-I441 HydrophobicContact CB-CD1 3.73Å; V319-I441 HydrophobicContact CG2-CD1 3.37Å; V319-I441 HydrophobicContact CG2-CG1 3.77Å
320V98.5Very high93.5Very high0 Ų022.5 Ų22.50%011%0.112CC..EExtended strand (participates in β ladder)trans-107122.8167.51770000108.3C52 F53 W83 I88 L92 V318 Y327C52-V320 WeakPolarHBondContact O-CA 3.27Å; F53-V320 HydrophobicContact CD2-CG2 3.81Å; F53-V320 HydrophobicContact CE2-CG2 4.18Å; W83-V320 HydrophobicContact CH2-CG1 3.81Å; W83-V320 HydrophobicContact CH2-CG2 4.36Å; W83-V320 HydrophobicContact CZ3-CG1 4.31Å; W83-V320 HydrophobicContact CZ3-CG2 4.35Å; I88-V320 HydrophobicContact CG2-CB 4.46Å; I88-V320 HydrophobicContact CG2-CG1 4.27Å; L92-V320 HydrophobicContact CD2-CG2 4.23Å; V318-V320 HydrophobicContact CG1-CG2 4.43Å; V320-Y327 HydrophobicContact CG1-CD2 4.46Å; V320-Y327 PolarHBondContact N-O 3.29Å; V320-Y327 WeakPolarHBondContact O-CD2 3.49Å; V320-Y327 PolarHBondContact O-N 3.12Å
321L97.9Very high95.3Very high9 Ų921.5 Ų21.55%0.04711%0.106CC..EExtended strand (participates in β ladder)trans-110.2118.4173.7170.463.8000109.1F21 V22 C51 C52 I325 V326 L432 F502F21-L321 HydrophobicContact CD1-CD2 4.29Å; V22-L321 HydrophobicContact CG1-CD2 3.43Å; V22-L321 VanDerWaalsContact CG1-CD2 3.43Å; C51-L321 CarbonylContact C-O 3.52Å; C51-L321 VanDerWaalsContact CA-O 3.28Å; C51-L321 WeakPolarHBondContact CA-O 3.38Å; C52-L321 HydrophobicContact CB-CB 4.19Å; C52-L321 PolarHBondContact N-O 3.18Å; C52-L321 PolarHBondContact O-N 2.93Å; L321-I325 WeakPolarHBondContact CA-O 3.28Å; L321-V326 HydrophobicContact CD1-CG2 3.84Å; L321-L432 HydrophobicContact CD1-CD1 3.68Å; L321-F502 HydrophobicContact CD2-CE1 4.09Å
322R95.6Very high96.6Very high28 Ų2816.7 Ų16.711%0.1068%0.08CC..EExtended strand (participates in β ladder)trans-138.6132.1175.7178.1-179.1-60.1-149.9-0.4109.7D47 I88 K324 I325D47-R322 IonicContact OD1-NH2 3.61Å; D47-R322 IonicContact OD2-CZ 2.76Å; D47-R322 IonicContact OD2-NH1 2.62Å; D47-R322 IonicContact OD2-NH2 3.28Å; D47-R322 PolarHBondContact OD2-NH2 2.9Å; I88-R322 HydrophobicContact CD1-CB 4.3Å; R322-K324 PolarHBondContact O-N 2.9Å; R322-K324 VanDerWaalsContact O-N 3.1Å; R322-I325 PolarHBondContact N-O 3.26Å; R322-I325 WeakPolarHBondContact O-CA 3.06Å; R322-I325 WeakPolarHBondContact O-CB 3.08Å; R322-I325 PolarHBondContact O-N 2.65Å
323D93Very high97.2Very high128 Ų12816.8 Ų16.868%0.6848%0.081SC*.THydrogen-bonded Turntrans50.339.5173.9-59.6-43.1000113.7I325D323-I325 PolarHBondContact O-N 2.83Å
324K94.8Very high97.6Very high100 Ų10016.8 Ų16.844%0.4358%0.081SC..THydrogen-bonded Turntrans65.511.9-174.7-55.7177.3-180175.10115.4F21 R322 L432 W504F21-K324 HydrophobicContact CE1-CG 4.16Å; F21-K324 HydrophobicContact CZ-CG 4.23Å; R322-K324 PolarHBondContact O-N 2.9Å; R322-K324 VanDerWaalsContact O-N 3.1Å; K324-L432 HydrophobicContact CB-CB 4.24Å; K324-L432 VanDerWaalsContact O-CB 3.26Å; K324-L432 WeakPolarHBondContact O-CB 3.39Å; K324-L432 WeakPolarHBondContact O-CG 3.43Å; K324-L432 PolarHBondContact O-N 2.76Å; K324-W504 HydrophobicContact CD-CH2 4.36Å; K324-W504 HydrophobicContact CD-CZ3 4.18Å
325I97.5Very high97.7Very high50 Ų5019.1 Ų19.126%0.2569%0.089SC..EExtended strand (participates in β ladder)trans-100123.8170.8-52.6175.2000108.4L321 R322 D323 Y327 I429L321-I325 WeakPolarHBondContact CA-O 3.28Å; R322-I325 PolarHBondContact N-O 3.26Å; R322-I325 WeakPolarHBondContact O-CA 3.06Å; R322-I325 WeakPolarHBondContact O-CB 3.08Å; R322-I325 PolarHBondContact O-N 2.65Å; D323-I325 PolarHBondContact O-N 2.83Å; I325-Y327 HydrophobicContact CB-CE2 3.78Å; I325-Y327 HydrophobicContact CG2-CD2 4.08Å; I325-Y327 HydrophobicContact CG2-CE1 4.12Å; I325-Y327 HydrophobicContact CG2-CE2 3.47Å; I325-Y327 VanDerWaalsContact CG2-CE2 3.47Å; I325-Y327 VanDerWaalsContact CG2-CZ 3.49Å; I325-I429 HydrophobicContact CG2-CG2 3.57Å
326V98.4Very high97.8Very high1 Ų119.1 Ų19.11%0.0069%0.089CC..EExtended strand (participates in β ladder)trans-95.3120.9173.6175.80000108.5V319 L321 V328 L347 I429 H430 L432 L439V319-V326 HydrophobicContact CG1-CG1 3.94Å; L321-V326 HydrophobicContact CD1-CG2 3.84Å; V326-V328 HydrophobicContact CG1-CG2 3.78Å; V326-L347 HydrophobicContact CG1-CD1 4.01Å; V326-I429 WeakPolarHBondContact O-CA 3.49Å; V326-H430 PolarHBondContact N-O 3.19Å; V326-H430 PolarHBondContact O-N 3.41Å; V326-L432 HydrophobicContact CG2-CD1 3.87Å; V326-L432 HydrophobicContact CG2-CD2 3.79Å; V326-L432 HydrophobicContact CG2-CG 3.77Å; V326-L439 HydrophobicContact CG1-CD2 4.49Å
327Y98.7Very high97.8Very high30 Ų3019.1 Ų19.112%0.1189%0.089CC..EExtended strand (participates in β ladder)trans-106.8119.5170.1-55.6-98.2000107.8I88 P89 V319 V320 I325 K428 I429I88-Y327 HydrophobicContact CB-CD1 4.14Å; I88-Y327 HydrophobicContact CB-CD2 4.5Å; I88-Y327 HydrophobicContact CB-CE1 4.04Å; I88-Y327 HydrophobicContact CB-CE2 4.41Å; I88-Y327 HydrophobicContact CB-CG 4.38Å; I88-Y327 HydrophobicContact CD1-CD2 4.13Å; I88-Y327 HydrophobicContact CD1-CE2 3.62Å; I88-Y327 HydrophobicContact CG2-CD1 3.78Å; I88-Y327 HydrophobicContact CG2-CD2 3.89Å; I88-Y327 HydrophobicContact CG2-CE1 4.18Å; I88-Y327 HydrophobicContact CG2-CE2 4.27Å; I88-Y327 HydrophobicContact CG2-CG 3.63Å; P89-Y327 HydrophobicContact CG-CD1 4.05Å; P89-Y327 HydrophobicContact CG-CE1 3.94Å; V319-Y327 CarbonylContact C-O 3.6Å; V319-Y327 WeakPolarHBondContact CA-O 3.4Å; V320-Y327 HydrophobicContact CG1-CD2 4.46Å; V320-Y327 PolarHBondContact N-O 3.29Å; V320-Y327 WeakPolarHBondContact O-CD2 3.49Å; V320-Y327 PolarHBondContact O-N 3.12Å; I325-Y327 HydrophobicContact CB-CE2 3.78Å; I325-Y327 HydrophobicContact CG2-CD2 4.08Å; I325-Y327 HydrophobicContact CG2-CE1 4.12Å; I325-Y327 HydrophobicContact CG2-CE2 3.47Å; I325-Y327 VanDerWaalsContact CG2-CE2 3.47Å; I325-Y327 VanDerWaalsContact CG2-CZ 3.49Å; Y327-K428 CarbonylContact C-O 3.56Å; Y327-K428 WeakPolarHBondContact CA-O 3.21Å; Y327-I429 HydrophobicContact CD1-CD1 4.2Å; Y327-I429 HydrophobicContact CD1-CG1 3.87Å; Y327-I429 HydrophobicContact CD1-CG2 4.1Å; Y327-I429 HydrophobicContact CE1-CD1 4.09Å; Y327-I429 HydrophobicContact CE1-CG1 4.17Å; Y327-I429 HydrophobicContact CE1-CG2 3.91Å
328V98.8Very high97.8Very high1 Ų119.1 Ų19.11%0.0069%0.089CC..EExtended strand (participates in β ladder)trans-108.5127.9175.3-173.20000108.4V318 V319 V326 C336 L347 I427 K428V318-V328 CarbonylContact O-C 3.48Å; V318-V328 WeakPolarHBondContact O-CA 3.46Å; V319-V328 HydrophobicContact CG2-CG1 4.44Å; V319-V328 HydrophobicContact CG2-CG2 4.18Å; V326-V328 HydrophobicContact CG1-CG2 3.78Å; V328-C336 HydrophobicContact CG1-CB 3.71Å; V328-C336 HydrophobicContact CG2-CB 4.45Å; V328-L347 HydrophobicContact CB-CB 4.48Å; V328-L347 HydrophobicContact CG2-CB 3.73Å; V328-L347 HydrophobicContact CG2-CD1 4.03Å; V328-I427 CarbonylContact O-C 3.5Å; V328-I427 VanDerWaalsContact O-CA 3.29Å; V328-I427 WeakPolarHBondContact O-CA 3.44Å; V328-K428 HydrophobicContact CB-CB 4.28Å; V328-K428 PolarHBondContact N-O 3.37Å; V328-K428 PolarHBondContact O-N 3.48Å
329A98.8Very high97.8Very high0 Ų019.1 Ų19.10%09%0.089CC..EExtended strand (participates in β ladder)trans-117.5118.1170.800000108.7L92 F96 V318 P425 D426 I427L92-A329 HydrophobicContact CB-CB 4.14Å; L92-A329 HydrophobicContact CD1-CB 4.17Å; L92-A329 HydrophobicContact CD2-CB 4.12Å; L92-A329 HydrophobicContact CG-CB 4.37Å; F96-A329 HydrophobicContact CE2-CB 3.68Å; F96-A329 HydrophobicContact CZ-CB 3.9Å; V318-A329 HydrophobicContact CB-CB 4.35Å; V318-A329 PolarHBondContact N-O 3.46Å; V318-A329 PolarHBondContact O-N 3.38Å; A329-P425 HydrophobicContact CB-CB 3.97Å; A329-D426 WeakPolarHBondContact CA-O 3.46Å; A329-I427 HydrophobicContact CB-CD1 3.39Å
330N98.7Very high97.8Very high1 Ų121.7 Ų21.71%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-117133.1-178.4-16946000112.2A316 C317 G332 S334 V349 H351 P425 D426A316-N330 CarbonylContact O-C 3.54Å; A316-N330 WeakPolarHBondContact O-CA 3.33Å; C317-N330 WeakPolarHBondContact CB-OD1 3.45Å; N330-G332 PolarHBondContact ND2-O 3.23Å; N330-G332 VanDerWaalsContact ND2-O 3.09Å; N330-S334 PolarHBondContact ND2-O 3.35Å; N330-S334 PolarHBondContact OD1-O 3.31Å; N330-V349 PolarHBondContact ND2-O 3.01Å; N330-H351 PolarHBondContact ND2-ND1 3.07Å; N330-H351 PolarHBondContact O-CE1 3.31Å; N330-P425 VanDerWaalsContact O-CA 3.25Å; N330-P425 WeakPolarHBondContact O-CA 3.29Å; N330-D426 PolarHBondContact N-O 2.94Å; N330-D426 PolarHBondContact O-N 3.33Å
331V98Very high97.7Very high0 Ų029.1 Ų29.10%013%0.134CC..EExtended strand (participates in β ladder)trans-133.2117.3168.8169.50000106.9F96 T315 A316 R383 P425F96-V331 HydrophobicContact CD1-CB 4.3Å; F96-V331 HydrophobicContact CD1-CG2 3.5Å; F96-V331 HydrophobicContact CE1-CB 4.03Å; F96-V331 HydrophobicContact CE1-CG2 3.56Å; T315-V331 CarbonylContact C-O 3.54Å; T315-V331 VanDerWaalsContact CA-O 3.28Å; T315-V331 WeakPolarHBondContact CA-O 3.31Å; T315-V331 VanDerWaalsContact CB-O 3.27Å; T315-V331 WeakPolarHBondContact CB-O 3.2Å; A316-V331 PolarHBondContact N-O 2.95Å; A316-V331 PolarHBondContact O-N 3.28Å; V331-R383 HydrophobicContact CG1-CB 3.9Å; V331-P425 VanDerWaalsContact CG2-CA 3.47Å; V331-P425 HydrophobicContact CG2-CB 3.77Å
332G97.3Very high97.7Very high0 Ų029.7 Ų29.70%014%0.141CC..SBendtrans97.1-154.6-176.500000113.2N330 H351 R383N330-G332 PolarHBondContact ND2-O 3.23Å; N330-G332 VanDerWaalsContact ND2-O 3.09Å; G332-H351 PolarHBondContact N-ND1 3.08Å; G332-H351 PolarHBondContact O-N 3.47Å; G332-H351 PolarHBondContact O-ND1 3.19Å; G332-R383 VanDerWaalsContact CA-O 3.29Å; G332-R383 WeakPolarHBondContact CA-O 3.37Å; G332-R383 PolarHBondContact N-O 3.02Å
333D97.4Very high97.8Very high4 Ų433.4 Ų33.42%0.02116%0.162CC..SBendtrans-118.216.5-170.460-4.4000114.3D350 K352 L381D333-D350 HydrophobicContact CB-CB 4Å; D333-K352 HydrophobicContact CB-CD 4.27Å; D333-K352 VanDerWaalsContact CB-NZ 3.34Å; D333-K352 IonicContact OD2-NZ 3.07Å; D333-K352 PolarHBondContact OD2-NZ 2.85Å; D333-L381 HydrophobicContact CB-CD2 4.19Å; D333-L381 VanDerWaalsContact OD1-CD2 3.22Å; D333-L381 WeakPolarHBondContact OD1-CD2 3.5Å; D333-L381 VanDerWaalsContact OD2-CD2 3.29Å; D333-L381 WeakPolarHBondContact OD2-CD2 3.08Å
334S98.2Very high98.1Very high0 Ų028.4 Ų28.40%014%0.139CC..  trans-65.7157152.2-73.30000110.2T315 N330 A442 C443T315-S334 PolarHBondContact OG1-OG 2.92Å; T315-S334 VanDerWaalsContact OG1-OG 3.06Å; N330-S334 PolarHBondContact ND2-O 3.35Å; N330-S334 PolarHBondContact OD1-O 3.31Å; S334-A442 WeakPolarHBondContact CA-O 3.48Å; S334-A442 WeakPolarHBondContact CB-O 3.27Å; S334-C443 WeakPolarHBondContact OG-CA 3.06Å
335R98.7Very high98.2Very high48 Ų4827.4 Ų27.418%0.18113%0.134CC..EExtended strand (participates in β ladder)trans-139.4147.3-175.1-161.1-174-63.8163.54.9113.8V337 S348 D350 I441 A442 W447 S452R335-V337 HydrophobicContact CG-CG2 4.13Å; R335-S348 WeakPolarHBondContact CA-OG 3.2Å; R335-S348 WeakPolarHBondContact CG-OG 3.43Å; R335-D350 IonicContact CZ-OD1 3.31Å; R335-D350 IonicContact CZ-OD2 3.82Å; R335-D350 IonicContact NE-OD1 3.74Å; R335-D350 PolarHBondContact NE-OD1 3.35Å; R335-D350 IonicContact NE-OD2 3.27Å; R335-D350 IonicContact NH2-OD1 2.67Å; R335-D350 PolarHBondContact NH2-OD1 2.82Å; R335-D350 IonicContact NH2-OD2 3.74Å; R335-D350 PolarHBondContact NH2-OD2 2.97Å; R335-I441 WeakPolarHBondContact O-CA 3.21Å; R335-A442 PolarHBondContact N-O 3.15Å; R335-A442 PolarHBondContact O-N 3.49Å; R335-W447 HydrophobicContact CB-CD2 4.13Å; R335-W447 HydrophobicContact CB-CG 4.11Å; R335-W447 HydrophobicContact CB-CZ2 4.27Å; R335-W447 WeakPolarHBondContact O-CZ2 2.86Å; R335-W447 PolarHBondContact O-NE1 3.09Å; R335-S452 PolarHBondContact NH1-OG 2.79Å
336C98.8Very high98.3Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-117.2124.3173.8-177.10000110.7C317 V319 V328 L347 S348 V440C317-C336 VanDerWaalsContact SG-CB 3.59Å; V319-C336 HydrophobicContact CG2-CB 4.45Å; V319-C336 VanDerWaalsContact CG2-SG 3.58Å; V328-C336 HydrophobicContact CG1-CB 3.71Å; V328-C336 HydrophobicContact CG2-CB 4.45Å; C336-L347 PolarHBondContact O-N 3.03Å; C336-S348 PolarHBondContact N-OG 2.81Å; C336-S348 PolarHBondContact O-N 3.14Å; C336-V440 CarbonylContact C-O 3.59Å; C336-V440 VanDerWaalsContact CA-O 3.28Å; C336-V440 WeakPolarHBondContact CA-O 3.15Å
337V98.9Very high98.3Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-129.1131.8-175.8-173.40000110.2R335 A344 D346 L439 V440 W447 I456R335-V337 HydrophobicContact CG-CG2 4.13Å; V337-A344 HydrophobicContact CG1-CB 3.92Å; V337-D346 WeakPolarHBondContact CG2-OD1 3.44Å; V337-L439 CarbonylContact O-C 3.5Å; V337-L439 WeakPolarHBondContact O-CA 3.48Å; V337-V440 PolarHBondContact N-O 3Å; V337-V440 PolarHBondContact O-N 3.35Å; V337-W447 HydrophobicContact CB-CH2 4.14Å; V337-W447 HydrophobicContact CG2-CH2 3.54Å; V337-W447 HydrophobicContact CG2-CZ2 4.07Å; V337-W447 HydrophobicContact CG2-CZ3 3.89Å; V337-I456 HydrophobicContact CG1-CD1 4Å; V337-I456 HydrophobicContact CG1-CG1 4.01Å
338L98.8Very high98.3Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-99.8136.3175.5-178.172.9000110.7K345 L347 H430 L432 D436 L439 F502L338-K345 HydrophobicContact CB-CB 4.37Å; L338-K345 HydrophobicContact CD2-CD 4.35Å; L338-K345 PolarHBondContact N-O 2.94Å; L338-K345 PolarHBondContact O-N 3.3Å; L338-L347 HydrophobicContact CB-CD1 3.93Å; L338-L347 HydrophobicContact CB-CD2 4.4Å; L338-L347 HydrophobicContact CB-CG 3.96Å; L338-L347 HydrophobicContact CD2-CD1 4.42Å; L338-H430 VanDerWaalsContact CD2-NE2 3.29Å; L338-H430 WeakPolarHBondContact CD2-NE2 3.32Å; L338-L432 HydrophobicContact CD1-CD2 4.1Å; L338-D436 HydrophobicContact CD1-CB 4.22Å; L338-D436 WeakPolarHBondContact CD2-OD1 3.2Å; L338-L439 HydrophobicContact CB-CD1 3.89Å; L338-L439 HydrophobicContact CD1-CB 4.45Å; L338-L439 HydrophobicContact CD1-CD1 3.85Å; L338-F502 HydrophobicContact CD1-CE2 3.66Å; L338-F502 HydrophobicContact CD1-CZ 4.18Å
339C98.7Very high98.2Very high0 Ų032.9 Ų32.90%017%0.17CC..EExtended strand (participates in β ladder)trans-89.4119.8165-176.90000110D436 E437 F438 I456C339-D436 WeakPolarHBondContact O-CA 3.42Å; C339-E437 HydrophobicContact CB-CB 4.44Å; C339-E437 PolarHBondContact O-N 3.44Å; C339-F438 HydrophobicContact CB-CD1 3.76Å; C339-F438 HydrophobicContact CB-CD2 3.97Å; C339-F438 HydrophobicContact CB-CE1 3.51Å; C339-F438 HydrophobicContact CB-CE2 3.74Å; C339-F438 HydrophobicContact CB-CG 3.98Å; C339-F438 HydrophobicContact CB-CZ 3.49Å; C339-F438 VanDerWaalsContact CB-CZ 3.49Å; C339-F438 PolarHBondContact N-O 3.32Å; C339-F438 VanDerWaalsContact SG-CE1 3.56Å; C339-I456 HydrophobicContact CB-CD1 3.94Å; C339-I456 HydrophobicContact CB-CG1 4.45Å; C339-I456 HydrophobicContact CB-CG2 3.91Å; C339-I456 WeakPolarHBondContact SG-CG2 3.42Å
340R97.9Very high98.2Very high56 Ų5633.9 Ų33.921%0.21118%0.176CC..EExtended strand (participates in β ladder)trans-119.7113.4167179171.2-70.8-163.8-7.4109.8G342 I343 H430 E433 G435 D436R340-G342 PolarHBondContact O-N 3.16Å; R340-I343 PolarHBondContact N-O 3.48Å; R340-I343 WeakPolarHBondContact O-CB 3.35Å; R340-I343 PolarHBondContact O-N 2.88Å; R340-H430 PolarHBondContact NH2-CE1 3.43Å; R340-H430 PolarHBondContact NH2-NE2 3.04Å; R340-E433 IonicContact CZ-OE1 3.47Å; R340-E433 VanDerWaalsContact CZ-OE1 3.31Å; R340-E433 IonicContact CZ-OE2 3.09Å; R340-E433 IonicContact NH1-OE1 3.87Å; R340-E433 PolarHBondContact NH1-OE1 2.84Å; R340-E433 IonicContact NH1-OE2 3.28Å; R340-E433 PolarHBondContact NH1-OE2 3.4Å; R340-E433 VanDerWaalsContact NH2-CD 3.31Å; R340-E433 IonicContact NH2-OE1 3.73Å; R340-E433 PolarHBondContact NH2-OE1 2.8Å; R340-E433 IonicContact NH2-OE2 2.78Å; R340-G435 CarbonylContact C-O 3.58Å; R340-G435 WeakPolarHBondContact CA-O 3.38Å; R340-D436 WeakPolarHBondContact CB-OD1 3.13Å; R340-D436 IonicContact CZ-OD1 3.83Å; R340-D436 VanDerWaalsContact CZ-OD1 3.28Å; R340-D436 IonicContact CZ-OD2 3.45Å; R340-D436 IonicContact NE-OD1 3.41Å; R340-D436 PolarHBondContact NE-OD1 3.28Å; R340-D436 IonicContact NE-OD2 3.3Å; R340-D436 VanDerWaalsContact NH2-CG 3.32Å; R340-D436 IonicContact NH2-OD1 3.44Å; R340-D436 PolarHBondContact NH2-OD1 3.17Å; R340-D436 VanDerWaalsContact NH2-OD1 3.08Å; R340-D436 IonicContact NH2-OD2 2.77Å; R340-D436 PolarHBondContact NH2-OD2 3.16Å
341E96.9Very high98.1Very high156 Ų15634 Ų3473%0.72918%0.177SC*.THydrogen-bonded Turntrans50.642179.4-55-176.1155.500112.7I343 G435 E437E341-I343 VanDerWaalsContact C-N 3.3Å; E341-I343 PolarHBondContact O-N 2.84Å; E341-G435 PolarHBondContact N-O 2.78Å; E341-E437 WeakPolarHBondContact CA-OE1 3.34Å; E341-E437 PolarHBondContact N-OE1 3.5Å
342G97Very high98Very high20 Ų2036.3 Ų36.321%0.20619%0.186CC..THydrogen-bonded Turntrans76.72.1-175.700000116.3R340 E437 Q453R340-G342 PolarHBondContact O-N 3.16Å; G342-E437 PolarHBondContact N-OE1 3.08Å; G342-Q453 PolarHBondContact O-NE2 3.28Å
343I98.5Very high97.9Very high107 Ų10736.3 Ų36.355%0.54919%0.187SC..EExtended strand (participates in β ladder)trans-103.1131.4178.9-54.9-59.1000110.4R340 E341R340-I343 PolarHBondContact N-O 3.48Å; R340-I343 WeakPolarHBondContact O-CB 3.35Å; R340-I343 PolarHBondContact O-N 2.88Å; E341-I343 VanDerWaalsContact C-N 3.3Å; E341-I343 PolarHBondContact O-N 2.84Å
344A98.7Very high97.7Very high23 Ų2340.7 Ų40.719%0.1921%0.207CC..EExtended strand (participates in β ladder)trans-70.4132.1174.700000111.5V337 Q453 I456V337-A344 HydrophobicContact CG1-CB 3.92Å; A344-Q453 HydrophobicContact CB-CB 4.25Å; A344-I456 HydrophobicContact CB-CB 4.25Å; A344-I456 HydrophobicContact CB-CG1 3.59Å
345K98.6Very high97.6Very high78 Ų7843.9 Ų43.934%0.33922%0.224SC..EExtended strand (participates in β ladder)trans-127.4106.9171.4-178.6-175.9-177.4-177.20108.6L338 L347 H430L338-K345 HydrophobicContact CB-CB 4.37Å; L338-K345 HydrophobicContact CD2-CD 4.35Å; L338-K345 PolarHBondContact N-O 2.94Å; L338-K345 PolarHBondContact O-N 3.3Å; K345-L347 HydrophobicContact CD-CD2 4.17Å; K345-L347 HydrophobicContact CG-CD2 4.18Å; K345-L347 PolarHBondContact O-N 3.26Å; K345-H430 PolarHBondContact NZ-CE1 3.11Å; K345-H430 PolarHBondContact NZ-ND1 2.9Å
346D98.5Very high97.4Very high81 Ų8150 Ų5043%0.43326%0.255SS..EExtended strand (participates in β ladder)trans-64.2125.3175.3-58.8-52000110V337 S452V337-D346 WeakPolarHBondContact CG2-OD1 3.44Å; D346-S452 WeakPolarHBondContact OD1-CB 3.23Å; D346-S452 PolarHBondContact OD1-OG 3.47Å
347L98.6Very high97.3Very high2 Ų256.4 Ų56.41%0.0129%0.287CS..SBendtrans-102.6-1.5175.5-60.9-169000112.4V326 V328 C336 L338 K345 K428 H430 L439V326-L347 HydrophobicContact CG1-CD1 4.01Å; V328-L347 HydrophobicContact CB-CB 4.48Å; V328-L347 HydrophobicContact CG2-CB 3.73Å; V328-L347 HydrophobicContact CG2-CD1 4.03Å; C336-L347 PolarHBondContact O-N 3.03Å; L338-L347 HydrophobicContact CB-CD1 3.93Å; L338-L347 HydrophobicContact CB-CD2 4.4Å; L338-L347 HydrophobicContact CB-CG 3.96Å; L338-L347 HydrophobicContact CD2-CD1 4.42Å; K345-L347 HydrophobicContact CD-CD2 4.17Å; K345-L347 HydrophobicContact CG-CD2 4.18Å; K345-L347 PolarHBondContact O-N 3.26Å; L347-K428 WeakPolarHBondContact O-CB 3.48Å; L347-K428 WeakPolarHBondContact O-CG 3.31Å; L347-H430 HydrophobicContact CD1-CB 4.33Å; L347-H430 HydrophobicContact CD2-CB 4.19Å; L347-L439 HydrophobicContact CD1-CD1 3.73Å
348S98.5Very high97.2Very high11 Ų1156.7 Ų56.78%0.07729%0.289CS..  trans-136.2161.6169.463.80000110.4R335 C336R335-S348 WeakPolarHBondContact CA-OG 3.2Å; R335-S348 WeakPolarHBondContact CG-OG 3.43Å; C336-S348 PolarHBondContact N-OG 2.81Å; C336-S348 PolarHBondContact O-N 3.14Å
349V97.7Very high97.1Very high103 Ų10361 Ų6162%0.62431%0.307SS*.  trans-119.2134.4169.4-178.10000107N330N330-V349 PolarHBondContact ND2-O 3.01Å
350D97.8Very high97Very high22 Ų2263.7 Ų63.712%0.11833%0.33CS..  trans-67.7143.1177.4-57.510000109.6D333 R335D333-D350 HydrophobicContact CB-CB 4Å; R335-D350 IonicContact CZ-OD1 3.31Å; R335-D350 IonicContact CZ-OD2 3.82Å; R335-D350 IonicContact NE-OD1 3.74Å; R335-D350 PolarHBondContact NE-OD1 3.35Å; R335-D350 IonicContact NE-OD2 3.27Å; R335-D350 IonicContact NH2-OD1 2.67Å; R335-D350 PolarHBondContact NH2-OD1 2.82Å; R335-D350 IonicContact NH2-OD2 3.74Å; R335-D350 PolarHBondContact NH2-OD2 2.97Å
351H97.2Very high96.9Very high4 Ų462.2 Ų62.22%0.01932%0.324CS..  trans-10190.9-179.2-58101000111.5N330 G332 S382 R383 D426N330-H351 PolarHBondContact ND2-ND1 3.07Å; N330-H351 PolarHBondContact O-CE1 3.31Å; G332-H351 PolarHBondContact N-ND1 3.08Å; G332-H351 PolarHBondContact O-N 3.47Å; G332-H351 PolarHBondContact O-ND1 3.19Å; H351-S382 VanDerWaalsContact C-OG 3.24Å; H351-S382 WeakPolarHBondContact CB-OG 3.13Å; H351-S382 PolarHBondContact O-N 3.03Å; H351-S382 PolarHBondContact O-OG 2.91Å; H351-R383 HydrophobicContact CB-CB 4.01Å; H351-R383 HydrophobicContact CB-CG 3.83Å; H351-R383 PolarHBondContact CD2-NE 3.28Å; H351-R383 VanDerWaalsContact NE2-CZ 3.28Å; H351-R383 PolarHBondContact NE2-NH1 2.83Å; H351-D426 IonicContact NE2-OD1 2.74Å; H351-D426 IonicContact NE2-OD2 3.26Å; H351-D426 PolarHBondContact NE2-OD2 2.94Å
352K95.2Very high96.7Very high47 Ų4754.8 Ų54.820%0.20429%0.289CS..  trans-97.2142.1-179.9-59.5-63-175.3174.60110.7D333 E354 D355 E358D333-K352 HydrophobicContact CB-CD 4.27Å; D333-K352 VanDerWaalsContact CB-NZ 3.34Å; D333-K352 IonicContact OD2-NZ 3.07Å; D333-K352 PolarHBondContact OD2-NZ 2.85Å; K352-E354 WeakPolarHBondContact CB-OE2 3.37Å; K352-E354 PolarHBondContact O-N 3.32Å; K352-E354 VanDerWaalsContact O-N 3.1Å; K352-D355 PolarHBondContact N-OD2 3.23Å; K352-D355 WeakPolarHBondContact O-CB 3.1Å; K352-D355 PolarHBondContact O-N 2.83Å; K352-D355 VanDerWaalsContact O-N 3.07Å; K352-E358 WeakPolarHBondContact O-CB 3.04Å
353P94.8Very high96.6Very high1 Ų158.9 Ų58.91%0.00630%0.303CS..THydrogen-bonded Turntrans-53.9-31.6179.8-27.436.8000113.7D355 K359 I362 I369 G373 V375P353-D355 VanDerWaalsContact C-N 3.26Å; P353-D355 PolarHBondContact O-N 3.08Å; P353-K359 WeakPolarHBondContact O-CB 3.48Å; P353-K359 PolarHBondContact O-N 2.78Å; P353-I362 HydrophobicContact CB-CD1 4Å; P353-I369 HydrophobicContact CB-CD1 4.06Å; P353-I369 HydrophobicContact CB-CG1 4.03Å; P353-I369 HydrophobicContact CB-CG2 4.21Å; P353-I369 WeakPolarHBondContact O-CD1 3.2Å; P353-G373 WeakPolarHBondContact CG-O 3.48Å; P353-V375 HydrophobicContact CB-CG2 3.91Å; P353-V375 HydrophobicContact CG-CG2 3.83Å
354E94Very high96.4Very high96 Ų9660 Ų6045%0.44930%0.304SS..THydrogen-bonded Turntrans-73-16.5-177.6-53.369.5-120.900113.6K352 E356 G373K352-E354 WeakPolarHBondContact CB-OE2 3.37Å; K352-E354 PolarHBondContact O-N 3.32Å; K352-E354 VanDerWaalsContact O-N 3.1Å; E354-E356 PolarHBondContact O-N 2.85Å; E354-G373 VanDerWaalsContact OE1-C 3.22Å; E354-G373 WeakPolarHBondContact OE1-CA 3.33Å; E354-G373 VanDerWaalsContact OE1-O 3.05Å
355D95.2Very high96Very high67 Ų6759.1 Ų59.136%0.35830%0.297SS..SBendtrans-62.6135.4178.8-65.5-36.6000110.2K352 P353 I357 E358 K359K352-D355 PolarHBondContact N-OD2 3.23Å; K352-D355 WeakPolarHBondContact O-CB 3.1Å; K352-D355 PolarHBondContact O-N 2.83Å; K352-D355 VanDerWaalsContact O-N 3.07Å; P353-D355 VanDerWaalsContact C-N 3.26Å; P353-D355 PolarHBondContact O-N 3.08Å; D355-I357 VanDerWaalsContact C-N 3.26Å; D355-I357 PolarHBondContact O-N 2.9Å; D355-I357 VanDerWaalsContact O-N 3.09Å; D355-E358 HydrophobicContact CB-CB 4.2Å; D355-E358 HydrophobicContact CB-CG 3.84Å; D355-E358 PolarHBondContact O-N 3.08Å; D355-K359 WeakPolarHBondContact O-CB 3.34Å; D355-K359 PolarHBondContact O-N 2.71Å
356E96Very high95.6Very high177 Ų17758.6 Ų58.683%0.82731%0.313SS*.Hα-helixtrans-54.2-40.3-169.4-65.1-176.7166.200113.4E354 A360E354-E356 PolarHBondContact O-N 2.85Å; E356-A360 VanDerWaalsContact O-CB 3.3Å; E356-A360 WeakPolarHBondContact O-CB 3.31Å; E356-A360 PolarHBondContact O-N 3.17Å; E356-A360 VanDerWaalsContact O-N 3.07Å
357I95.7Very high95.2Very high134 Ų13455.1 Ų55.169%0.68730%0.297SS*.Hα-helixtrans-70.8-40.6180-62.3173.4000111D355 R361D355-I357 VanDerWaalsContact C-N 3.26Å; D355-I357 PolarHBondContact O-N 2.9Å; D355-I357 VanDerWaalsContact O-N 3.09Å; I357-R361 PolarHBondContact O-N 3.39Å
358E96.9Very high94.8Very high6 Ų657.7 Ų57.73%0.02832%0.318CS..Hα-helixtrans-71.5-46.8-178.3-54.9-56.1111.200110.2K352 D355 A360 R361 I362 S382 R383K352-E358 WeakPolarHBondContact O-CB 3.04Å; D355-E358 HydrophobicContact CB-CB 4.2Å; D355-E358 HydrophobicContact CB-CG 3.84Å; D355-E358 PolarHBondContact O-N 3.08Å; E358-A360 VanDerWaalsContact C-N 3.35Å; E358-A360 PolarHBondContact O-N 3.39Å; E358-R361 VanDerWaalsContact CD-NH1 3.27Å; E358-R361 WeakPolarHBondContact O-CB 3.45Å; E358-R361 PolarHBondContact O-N 3.22Å; E358-R361 VanDerWaalsContact O-N 3.11Å; E358-R361 IonicContact OE1-NH1 2.8Å; E358-R361 PolarHBondContact OE1-NH1 2.92Å; E358-R361 IonicContact OE2-CZ 3.9Å; E358-R361 IonicContact OE2-NH1 2.96Å; E358-R361 PolarHBondContact OE2-NH1 3.5Å; E358-R361 IonicContact OE2-NH2 3.02Å; E358-R361 PolarHBondContact OE2-NH2 3.19Å; E358-I362 WeakPolarHBondContact O-CD1 3.31Å; E358-I362 WeakPolarHBondContact O-CG1 3.31Å; E358-I362 PolarHBondContact O-N 3.44Å; E358-S382 WeakPolarHBondContact CG-OG 3.21Å; E358-S382 PolarHBondContact OE2-OG 3.35Å; E358-S382 VanDerWaalsContact OE2-OG 3.04Å; E358-R383 IonicContact OE1-CZ 3.28Å; E358-R383 IonicContact OE1-NE 2.75Å; E358-R383 PolarHBondContact OE1-NE 3.29Å; E358-R383 IonicContact OE1-NH2 2.94Å; E358-R383 PolarHBondContact OE1-NH2 3.14Å; E358-R383 VanDerWaalsContact OE2-CG 3.28Å; E358-R383 WeakPolarHBondContact OE2-CG 3.17Å; E358-R383 IonicContact OE2-CZ 3.82Å; E358-R383 IonicContact OE2-NE 3.33Å; E358-R383 PolarHBondContact OE2-NE 2.88Å; E358-R383 IonicContact OE2-NH2 2.93Å
359K96.3Very high94.5Very high90 Ų9059 Ų5939%0.39132%0.324SS..Hα-helixtrans-54.2-48.3172.6174.2163-176.4-179.90112.3P353 D355 R361 I362 E363 I369P353-K359 WeakPolarHBondContact O-CB 3.48Å; P353-K359 PolarHBondContact O-N 2.78Å; D355-K359 WeakPolarHBondContact O-CB 3.34Å; D355-K359 PolarHBondContact O-N 2.71Å; K359-R361 VanDerWaalsContact C-N 3.29Å; K359-R361 PolarHBondContact O-N 2.94Å; K359-I362 PolarHBondContact O-N 2.75Å; K359-E363 WeakPolarHBondContact CE-OE1 3.42Å; K359-E363 HydrophobicContact CG-CG 4.37Å; K359-E363 IonicContact NZ-OE1 3.89Å; K359-E363 WeakPolarHBondContact O-CB 3.28Å; K359-E363 WeakPolarHBondContact O-CG 3.3Å; K359-E363 PolarHBondContact O-N 2.86Å; K359-I369 HydrophobicContact CB-CD1 3.7Å; K359-I369 HydrophobicContact CD-CD1 4.12Å; K359-I369 HydrophobicContact CG-CD1 3.72Å
360A96.4Very high94.1Very high56 Ų5656.4 Ų56.446%0.46331%0.309SS..Hα-helixtrans-60.8-37.7178.300000112.3E356 E358 K364E356-A360 VanDerWaalsContact O-CB 3.3Å; E356-A360 WeakPolarHBondContact O-CB 3.31Å; E356-A360 PolarHBondContact O-N 3.17Å; E356-A360 VanDerWaalsContact O-N 3.07Å; E358-A360 VanDerWaalsContact C-N 3.35Å; E358-A360 PolarHBondContact O-N 3.39Å; A360-K364 WeakPolarHBondContact O-CB 3.46Å; A360-K364 PolarHBondContact O-N 2.84Å; A360-K364 VanDerWaalsContact O-N 3.07Å
361R96.2Very high93.7Very high25 Ų2560 Ų609%0.09435%0.35CS..Hα-helixtrans-66.5-48.1174-176.8-171.864-113.1-6111.3I357 E358 K359 E363 K364 A365 S382 D418 Q419I357-R361 PolarHBondContact O-N 3.39Å; E358-R361 VanDerWaalsContact CD-NH1 3.27Å; E358-R361 WeakPolarHBondContact O-CB 3.45Å; E358-R361 PolarHBondContact O-N 3.22Å; E358-R361 VanDerWaalsContact O-N 3.11Å; E358-R361 IonicContact OE1-NH1 2.8Å; E358-R361 PolarHBondContact OE1-NH1 2.92Å; E358-R361 IonicContact OE2-CZ 3.9Å; E358-R361 IonicContact OE2-NH1 2.96Å; E358-R361 PolarHBondContact OE2-NH1 3.5Å; E358-R361 IonicContact OE2-NH2 3.02Å; E358-R361 PolarHBondContact OE2-NH2 3.19Å; K359-R361 VanDerWaalsContact C-N 3.29Å; K359-R361 PolarHBondContact O-N 2.94Å; R361-E363 PolarHBondContact O-N 3.36Å; R361-K364 PolarHBondContact O-N 3.31Å; R361-A365 WeakPolarHBondContact O-CB 3.5Å; R361-A365 PolarHBondContact O-N 3.44Å; R361-S382 PolarHBondContact NH2-O 3.36Å; R361-D418 WeakPolarHBondContact CG-O 3.48Å; R361-Q419 WeakPolarHBondContact CD-O 3.47Å; R361-Q419 WeakPolarHBondContact CG-O 3.28Å; R361-Q419 PolarHBondContact NE-O 2.92Å
362I93.8Very high93.2Very high0 Ų065.1 Ų65.10%038%0.378CS..Hα-helixtrans-58.2-49.3-179.2-70.2157.3000110.6P353 E358 K359 K364 A365 G366 G367 I369 V375 M420P353-I362 HydrophobicContact CB-CD1 4Å; E358-I362 WeakPolarHBondContact O-CD1 3.31Å; E358-I362 WeakPolarHBondContact O-CG1 3.31Å; E358-I362 PolarHBondContact O-N 3.44Å; K359-I362 PolarHBondContact O-N 2.75Å; I362-K364 PolarHBondContact O-N 2.97Å; I362-A365 PolarHBondContact O-N 3.49Å; I362-A365 VanDerWaalsContact O-N 3.14Å; I362-G366 PolarHBondContact O-N 3.37Å; I362-G367 WeakPolarHBondContact O-CA 3.39Å; I362-G367 PolarHBondContact O-N 3.01Å; I362-I369 HydrophobicContact CD1-CD1 3.99Å; I362-I369 HydrophobicContact CD1-CG1 4.19Å; I362-I369 HydrophobicContact CG2-CG1 4.16Å; I362-V375 HydrophobicContact CD1-CG2 3.66Å; I362-V375 HydrophobicContact CG1-CG2 4.29Å; I362-V375 HydrophobicContact CG2-CG1 3.89Å; I362-M420 VanDerWaalsContact CG1-O 3.29Å; I362-M420 WeakPolarHBondContact CG1-O 3.48Å; I362-M420 HydrophobicContact CG2-CG 4.48Å
363E94.3Very high92.9Very high107 Ų10763.2 Ų63.250%0.537%0.372SS..Hα-helixtrans-63.9-41.5178.5-69.8177.817000111.8K359 R361 A365 G366 G367K359-E363 WeakPolarHBondContact CE-OE1 3.42Å; K359-E363 HydrophobicContact CG-CG 4.37Å; K359-E363 IonicContact NZ-OE1 3.89Å; K359-E363 WeakPolarHBondContact O-CB 3.28Å; K359-E363 WeakPolarHBondContact O-CG 3.3Å; K359-E363 PolarHBondContact O-N 2.86Å; R361-E363 PolarHBondContact O-N 3.36Å; E363-A365 PolarHBondContact O-N 3.39Å; E363-G366 PolarHBondContact O-N 3.3Å; E363-G367 WeakPolarHBondContact CA-O 3.37Å
364K93.3Very high92.7Very high129 Ų12966.3 Ų66.356%0.56138%0.383SS*.Hα-helixtrans-60.9-33.7174.2-178.8-171.2173.7-162.20112.1A360 R361 I362 G366 D418A360-K364 WeakPolarHBondContact O-CB 3.46Å; A360-K364 PolarHBondContact O-N 2.84Å; A360-K364 VanDerWaalsContact O-N 3.07Å; R361-K364 PolarHBondContact O-N 3.31Å; I362-K364 PolarHBondContact O-N 2.97Å; K364-G366 PolarHBondContact O-N 2.88Å; K364-D418 IonicContact NZ-OD2 3.54Å; K364-D418 PolarHBondContact NZ-OD2 3.06Å
365A91.7Very high92.4Very high5 Ų561.8 Ų61.84%0.04136%0.362CS..THydrogen-bonded Turntrans-79.1-2.117700000114.2R361 I362 E363 N411 L414 M420R361-A365 WeakPolarHBondContact O-CB 3.5Å; R361-A365 PolarHBondContact O-N 3.44Å; I362-A365 PolarHBondContact O-N 3.49Å; I362-A365 VanDerWaalsContact O-N 3.14Å; E363-A365 PolarHBondContact O-N 3.39Å; A365-N411 PolarHBondContact O-ND2 3.3Å; A365-L414 VanDerWaalsContact CA-CD1 3.46Å; A365-L414 HydrophobicContact CB-CD1 3.68Å; A365-M420 HydrophobicContact CB-CB 4.35Å; A365-M420 HydrophobicContact CB-CG 3.54Å
366G90.2Very high92Very high67 Ų6760.4 Ų60.469%0.69136%0.355SS*.THydrogen-bonded Turntrans89.98179.700000114.1I362 E363 K364I362-G366 PolarHBondContact O-N 3.37Å; E363-G366 PolarHBondContact O-N 3.3Å; K364-G366 PolarHBondContact O-N 2.88Å
367G88.9Confident91.4Very high9 Ų953.8 Ų53.89%0.09333%0.334CS..  trans-86.1168.8173.800000112.9I362 E363 N376 M420I362-G367 WeakPolarHBondContact O-CA 3.39Å; I362-G367 PolarHBondContact O-N 3.01Å; E363-G367 WeakPolarHBondContact CA-O 3.37Å; G367-N376 WeakPolarHBondContact CA-OD1 3.48Å; G367-M420 WeakPolarHBondContact CA-SD 3.18Å
368A90.4Very high90.6Very high55 Ų5548.8 Ų48.846%0.45532%0.316SS..  trans-130.3156172.500000109.9V375 N376A368-V375 WeakPolarHBondContact O-CA 3.24Å; A368-N376 PolarHBondContact N-OD1 2.81Å; A368-N376 PolarHBondContact O-N 2.96Å; A368-N376 PolarHBondContact O-OD1 3.13Å
369I91.6Very high90Very high40 Ų4049.4 Ų49.421%0.20532%0.319CS..BIsolated β-bridgetrans-110.4126.4173.6-61.6155.6000108.2P353 K359 I362 R374P353-I369 HydrophobicContact CB-CD1 4.06Å; P353-I369 HydrophobicContact CB-CG1 4.03Å; P353-I369 HydrophobicContact CB-CG2 4.21Å; P353-I369 WeakPolarHBondContact O-CD1 3.2Å; K359-I369 HydrophobicContact CB-CD1 3.7Å; K359-I369 HydrophobicContact CD-CD1 4.12Å; K359-I369 HydrophobicContact CG-CD1 3.72Å; I362-I369 HydrophobicContact CD1-CD1 3.99Å; I362-I369 HydrophobicContact CD1-CG1 4.19Å; I362-I369 HydrophobicContact CG2-CG1 4.16Å; I369-R374 WeakPolarHBondContact CA-O 3.43Å
370T90.2Very high89.6Confident48 Ų4848.2 Ų48.229%0.29432%0.317SS..  trans-72.8161.8176.3490000111.3D372 G373 R374T370-D372 VanDerWaalsContact CB-OD1 3.24Å; T370-D372 WeakPolarHBondContact CB-OD1 3.34Å; T370-D372 PolarHBondContact O-N 3.36Å; T370-D372 VanDerWaalsContact O-N 3.15Å; T370-D372 PolarHBondContact OG1-OD1 3.27Å; T370-G373 PolarHBondContact O-N 2.87Å; T370-R374 PolarHBondContact N-O 3.18Å; T370-R374 WeakPolarHBondContact OG1-CA 3.4Å; T370-R374 VanDerWaalsContact OG1-CB 3.3Å; T370-R374 WeakPolarHBondContact OG1-CB 3.42Å; T370-R374 PolarHBondContact OG1-N 3.21Å; T370-R374 PolarHBondContact OG1-O 3.39Å
371G88.6Confident89.4Confident96 Ų9645.9 Ų45.999%0.9930%0.297SS*.THydrogen-bonded Turntrans-63.9-18.4-176.700000114.7
372D87.9Confident89.2Confident113 Ų11344.7 Ų44.760%0.60429%0.293SS*.THydrogen-bonded Turntrans-95.37.5173.766.3-50000113.4T370 R374T370-D372 VanDerWaalsContact CB-OD1 3.24Å; T370-D372 WeakPolarHBondContact CB-OD1 3.34Å; T370-D372 PolarHBondContact O-N 3.36Å; T370-D372 VanDerWaalsContact O-N 3.15Å; T370-D372 PolarHBondContact OG1-OD1 3.27Å; D372-R374 VanDerWaalsContact OD2-CD 3.3Å; D372-R374 WeakPolarHBondContact OD2-CD 2.94Å; D372-R374 IonicContact OD2-NE 3.88Å; D372-R374 PolarHBondContact OD2-NE 3.31Å
373G89.4Confident89.3Confident7 Ų745.4 Ų45.47%0.07230%0.295CS..SBendtrans87.129170.200000115.9P353 E354 T370P353-G373 WeakPolarHBondContact CG-O 3.48Å; E354-G373 VanDerWaalsContact OE1-C 3.22Å; E354-G373 WeakPolarHBondContact OE1-CA 3.33Å; E354-G373 VanDerWaalsContact OE1-O 3.05Å; T370-G373 PolarHBondContact O-N 2.87Å
374R89.8Confident89.2Confident66 Ų6640.3 Ų40.325%0.24927%0.271CS..  trans-109.8134.4178.5-57.8178.3175.1-78.8-16.4112.3I369 T370 D372 N376 G377 G378 L379 N380I369-R374 WeakPolarHBondContact CA-O 3.43Å; T370-R374 PolarHBondContact N-O 3.18Å; T370-R374 WeakPolarHBondContact OG1-CA 3.4Å; T370-R374 VanDerWaalsContact OG1-CB 3.3Å; T370-R374 WeakPolarHBondContact OG1-CB 3.42Å; T370-R374 PolarHBondContact OG1-N 3.21Å; T370-R374 PolarHBondContact OG1-O 3.39Å; D372-R374 VanDerWaalsContact OD2-CD 3.3Å; D372-R374 WeakPolarHBondContact OD2-CD 2.94Å; D372-R374 IonicContact OD2-NE 3.88Å; D372-R374 PolarHBondContact OD2-NE 3.31Å; R374-N376 PolarHBondContact O-N 3.24Å; R374-G377 WeakPolarHBondContact CD-O 3.44Å; R374-G377 PolarHBondContact O-N 3.25Å; R374-G378 PolarHBondContact NH1-O 2.92Å; R374-L379 CarbonylContact C-O 3.57Å; R374-L379 VanDerWaalsContact CA-O 3.24Å; R374-L379 WeakPolarHBondContact CA-O 3.24Å; R374-N380 HydrophobicContact CG-CB 4.29Å
375V87.9Confident89Confident0 Ų034.1 Ų34.10%025%0.245CC..BIsolated β-bridgetrans-66117.1170.2-172.80000108.6P353 I362 A368 G377 G378 L379 Y408 M420 I421P353-V375 HydrophobicContact CB-CG2 3.91Å; P353-V375 HydrophobicContact CG-CG2 3.83Å; I362-V375 HydrophobicContact CD1-CG2 3.66Å; I362-V375 HydrophobicContact CG1-CG2 4.29Å; I362-V375 HydrophobicContact CG2-CG1 3.89Å; A368-V375 WeakPolarHBondContact O-CA 3.24Å; V375-G377 PolarHBondContact O-N 3.13Å; V375-G378 PolarHBondContact O-N 3.43Å; V375-L379 PolarHBondContact N-O 3.01Å; V375-L379 PolarHBondContact O-N 3.25Å; V375-Y408 HydrophobicContact CB-CD1 4.35Å; V375-Y408 HydrophobicContact CB-CE1 3.81Å; V375-Y408 HydrophobicContact CG1-CD1 3.84Å; V375-Y408 HydrophobicContact CG1-CE1 3.66Å; V375-Y408 PolarHBondContact O-OH 2.46Å; V375-M420 HydrophobicContact CG1-CB 4.17Å; V375-M420 HydrophobicContact CG1-SD 4.37Å; V375-I421 HydrophobicContact CB-CD1 4.41Å; V375-I421 HydrophobicContact CG2-CD1 3.99Å
376N87.3Confident88.5Confident38 Ų3833.9 Ų33.920%0.20324%0.243CC..THydrogen-bonded Turntrans47.330.7-174-61.2-11.2000114.3G367 A368 R374 G378 D405G367-N376 WeakPolarHBondContact CA-OD1 3.48Å; A368-N376 PolarHBondContact N-OD1 2.81Å; A368-N376 PolarHBondContact O-N 2.96Å; A368-N376 PolarHBondContact O-OD1 3.13Å; R374-N376 PolarHBondContact O-N 3.24Å; N376-G378 PolarHBondContact O-N 2.98Å; N376-D405 WeakPolarHBondContact CB-O 3.36Å; N376-D405 VanDerWaalsContact CG-O 3.28Å; N376-D405 PolarHBondContact ND2-O 2.9Å
377G82Confident87.6Confident38 Ų3831.2 Ų31.239%0.39221%0.213SC..THydrogen-bonded Turntrans77-4.6-179.900000115.5R374 V375R374-G377 WeakPolarHBondContact CD-O 3.44Å; R374-G377 PolarHBondContact O-N 3.25Å; V375-G377 PolarHBondContact O-N 3.13Å
378G79.9Confident86.1Confident30 Ų3030.9 Ų30.931%0.30921%0.209SC..THydrogen-bonded Turntrans-95.8-67.6-178.900000113.2R374 V375 N376 Y408R374-G378 PolarHBondContact NH1-O 2.92Å; V375-G378 PolarHBondContact O-N 3.43Å; N376-G378 PolarHBondContact O-N 2.98Å; G378-Y408 VanDerWaalsContact CA-OH 3.3Å; G378-Y408 WeakPolarHBondContact CA-OH 3.21Å
379L83.8Confident84.3Confident18 Ų1830 Ų309%0.09419%0.194CC..BIsolated β-bridgetrans-101.8131.7-166.9-165.765.4000112.3R374 V375 L381 T387 Y408 I421R374-L379 CarbonylContact C-O 3.57Å; R374-L379 VanDerWaalsContact CA-O 3.24Å; R374-L379 WeakPolarHBondContact CA-O 3.24Å; V375-L379 PolarHBondContact N-O 3.01Å; V375-L379 PolarHBondContact O-N 3.25Å; L379-L381 VanDerWaalsContact C-N 3.27Å; L379-L381 HydrophobicContact CD1-CD1 4.4Å; L379-L381 HydrophobicContact CD2-CB 4Å; L379-L381 HydrophobicContact CG-CB 3.94Å; L379-L381 PolarHBondContact O-N 3.21Å; L379-T387 HydrophobicContact CD2-CG2 4.35Å; L379-Y408 HydrophobicContact CB-CE1 4.12Å; L379-Y408 HydrophobicContact CB-CE2 4.06Å; L379-Y408 WeakPolarHBondContact CB-OH 3.47Å; L379-Y408 HydrophobicContact CD2-CE2 4.49Å; L379-Y408 PolarHBondContact N-OH 3.12Å; L379-I421 HydrophobicContact CD2-CD1 3.84Å; L379-I421 HydrophobicContact CD2-CG1 3.96Å
380N88.9Confident82.1Confident66 Ų6630.9 Ų30.935%0.35320%0.201SC..SBendtrans-90.318.2175.364.1-46.1000113.2R374R374-N380 HydrophobicContact CG-CB 4.29Å
381L90.4Very high79.8Confident7 Ų734 Ų344%0.03721%0.213CC..  trans-117.1148.6174.9-66.5168.4000108.2H60 T315 D333 L379 I421H60-L381 VanDerWaalsContact CE1-CD1 3.5Å; H60-L381 WeakPolarHBondContact CE1-CD1 3.48Å; H60-L381 WeakPolarHBondContact ND1-CD1 3.45Å; T315-L381 HydrophobicContact CG2-CD1 3.97Å; T315-L381 HydrophobicContact CG2-CD2 4.08Å; D333-L381 HydrophobicContact CB-CD2 4.19Å; D333-L381 VanDerWaalsContact OD1-CD2 3.22Å; D333-L381 WeakPolarHBondContact OD1-CD2 3.5Å; D333-L381 VanDerWaalsContact OD2-CD2 3.29Å; D333-L381 WeakPolarHBondContact OD2-CD2 3.08Å; L379-L381 VanDerWaalsContact C-N 3.27Å; L379-L381 HydrophobicContact CD1-CD1 4.4Å; L379-L381 HydrophobicContact CD2-CB 4Å; L379-L381 HydrophobicContact CG-CB 3.94Å; L379-L381 PolarHBondContact O-N 3.21Å; L381-I421 WeakPolarHBondContact O-CD1 3.01Å
382S93.3Very high77.7Confident0 Ų034.5 Ų34.50%019%0.191CC..SBendtrans-104.5-17.9170.966.90000112.5H351 E358 R361 I421 S422H351-S382 VanDerWaalsContact C-OG 3.24Å; H351-S382 WeakPolarHBondContact CB-OG 3.13Å; H351-S382 PolarHBondContact O-N 3.03Å; H351-S382 PolarHBondContact O-OG 2.91Å; E358-S382 WeakPolarHBondContact CG-OG 3.21Å; E358-S382 PolarHBondContact OE2-OG 3.35Å; E358-S382 VanDerWaalsContact OE2-OG 3.04Å; R361-S382 PolarHBondContact NH2-O 3.36Å; S382-I421 VanDerWaalsContact O-CA 3.31Å; S382-I421 WeakPolarHBondContact O-CA 3.44Å; S382-S422 PolarHBondContact O-N 3.45Å
383R94.9Very high75.6Confident14 Ų1431.1 Ų31.15%0.05317%0.171CC..BIsolated β-bridgetrans-135.1134.1178.4-59.6-161.4-165.7177.416.2110.8V331 G332 H351 E358 S422 L424 D426V331-R383 HydrophobicContact CG1-CB 3.9Å; G332-R383 VanDerWaalsContact CA-O 3.29Å; G332-R383 WeakPolarHBondContact CA-O 3.37Å; G332-R383 PolarHBondContact N-O 3.02Å; H351-R383 HydrophobicContact CB-CB 4.01Å; H351-R383 HydrophobicContact CB-CG 3.83Å; H351-R383 PolarHBondContact CD2-NE 3.28Å; H351-R383 VanDerWaalsContact NE2-CZ 3.28Å; H351-R383 PolarHBondContact NE2-NH1 2.83Å; E358-R383 IonicContact OE1-CZ 3.28Å; E358-R383 IonicContact OE1-NE 2.75Å; E358-R383 PolarHBondContact OE1-NE 3.29Å; E358-R383 IonicContact OE1-NH2 2.94Å; E358-R383 PolarHBondContact OE1-NH2 3.14Å; E358-R383 VanDerWaalsContact OE2-CG 3.28Å; E358-R383 WeakPolarHBondContact OE2-CG 3.17Å; E358-R383 IonicContact OE2-CZ 3.82Å; E358-R383 IonicContact OE2-NE 3.33Å; E358-R383 PolarHBondContact OE2-NE 2.88Å; E358-R383 IonicContact OE2-NH2 2.93Å; R383-S422 CarbonylContact C-O 3.58Å; R383-S422 WeakPolarHBondContact CA-O 3.4Å; R383-S422 WeakPolarHBondContact CB-O 3.29Å; R383-L424 WeakPolarHBondContact CD-O 3.23Å; R383-L424 PolarHBondContact NH1-O 3.29Å; R383-D426 IonicContact CZ-OD1 3.75Å; R383-D426 IonicContact NH1-OD1 3.92Å; R383-D426 PolarHBondContact NH1-OD1 3.43Å; R383-D426 IonicContact NH2-OD1 2.81Å; R383-D426 PolarHBondContact NH2-OD1 3.12Å; R383-D426 IonicContact NH2-OD2 2.62Å
384A92.5Very high73.4Confident0 Ų038.3 Ų38.30%020%0.196CC..  trans-162.8151.4178.700000111.3T314 K409 I421 S422T314-A384 WeakPolarHBondContact O-CA 3.21Å; A384-K409 PolarHBondContact O-NZ 3.11Å; A384-I421 HydrophobicContact CB-CG2 3.83Å; A384-S422 PolarHBondContact N-O 3.11Å
385I89.7Confident71.3Confident0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-82.9143.1162.1-63173.8000108V65 F96 F99 D100 L103 G313 T314 A316 A423V65-I385 HydrophobicContact CG1-CG2 4.07Å; F96-I385 HydrophobicContact CD1-CD1 3.81Å; F96-I385 HydrophobicContact CD1-CG1 4.26Å; F96-I385 HydrophobicContact CE1-CD1 4.02Å; F99-I385 HydrophobicContact CD1-CG2 4.12Å; F99-I385 HydrophobicContact CE1-CG2 4.4Å; D100-I385 WeakPolarHBondContact OD1-CA 3.49Å; L103-I385 HydrophobicContact CD1-CG2 3.73Å; G313-I385 CarbonylContact C-O 3.53Å; G313-I385 WeakPolarHBondContact CA-O 3.08Å; T314-I385 HydrophobicContact CG2-CB 4.07Å; T314-I385 PolarHBondContact N-O 2.96Å; T314-I385 PolarHBondContact O-N 3.28Å; A316-I385 HydrophobicContact CB-CD1 3.82Å; I385-A423 HydrophobicContact CG1-CB 4.48Å
386G82.1Confident69.2Low0 Ų046.7 Ų46.70%024%0.241CC..EExtended strand (participates in β ladder)trans81.8-152.3-171.200000111.5D100 L388 K409D100-G386 PolarHBondContact OD1-N 2.89Å; G386-L388 PolarHBondContact O-N 3.33Å; G386-K409 VanDerWaalsContact O-CE 3.26Å; G386-K409 WeakPolarHBondContact O-CE 3.29Å; G386-K409 PolarHBondContact O-NZ 3.36Å
387T69.4Low67.1Low10 Ų1045.9 Ų45.96%0.06124%0.237CC..  trans57.225-172.669.60000113.6H60 G309 S312 L379H60-T387 WeakPolarHBondContact NE2-CG2 3.34Å; G309-T387 PolarHBondContact O-N 2.91Å; S312-T387 PolarHBondContact O-N 3.36Å; S312-T387 VanDerWaalsContact O-N 3.14Å; L379-T387 HydrophobicContact CD2-CG2 4.35Å
388L58.5Low65.3Low2 Ų250.6 Ų50.61%0.0125%0.251CS..  trans-90.9130.7-173.8-81.3162.2000110.6D100 L104 G309 G386 T390 K409D100-L388 WeakPolarHBondContact O-CD1 3.26Å; L104-L388 HydrophobicContact CD1-CB 3.59Å; L104-L388 HydrophobicContact CG-CB 4.13Å; G309-L388 PolarHBondContact O-N 2.92Å; G386-L388 PolarHBondContact O-N 3.33Å; L388-T390 HydrophobicContact CD2-CG2 4.24Å; L388-K409 HydrophobicContact CD2-CB 3.77Å; L388-K409 HydrophobicContact CD2-CD 3.34Å; L388-K409 HydrophobicContact CD2-CG 4.18Å; L388-K409 HydrophobicContact CG-CD 3.63Å
389W52Low63.5Low37 Ų3750.5 Ų50.514%0.1424%0.243CC..  trans-127.492.7157.3-171-87.7000109.3F300 T304 V310 F393 L400F300-W389 HydrophobicContact CE1-CH2 4.38Å; F300-W389 HydrophobicContact CE1-CZ2 4.44Å; F300-W389 AromaticContact CZ-CH2 3.92Å; F300-W389 HydrophobicContact CZ-CH2 3.92Å; F300-W389 AromaticContact CZ-CZ2 3.78Å; F300-W389 HydrophobicContact CZ-CZ2 3.78Å; T304-W389 HydrophobicContact CG2-CH2 3.86Å; V310-W389 HydrophobicContact CB-CE3 4.19Å; V310-W389 HydrophobicContact CB-CZ3 4.41Å; V310-W389 HydrophobicContact CG1-CE3 3.37Å; V310-W389 HydrophobicContact CG1-CZ3 3.66Å; V310-W389 HydrophobicContact CG2-CE3 3.74Å; V310-W389 HydrophobicContact CG2-CZ3 3.9Å; W389-F393 HydrophobicContact CH2-CB 4.05Å; W389-F393 HydrophobicContact CH2-CD1 4.17Å; W389-F393 AromaticContact CH2-CD2 3.47Å; W389-F393 HydrophobicContact CH2-CD2 3.47Å; W389-F393 VanDerWaalsContact CH2-CD2 3.47Å; W389-F393 AromaticContact CH2-CE2 3.88Å; W389-F393 HydrophobicContact CH2-CE2 3.88Å; W389-F393 AromaticContact CH2-CG 3.63Å; W389-F393 HydrophobicContact CH2-CG 3.63Å; W389-F393 HydrophobicContact CH2-CZ 4.39Å; W389-F393 HydrophobicContact CZ2-CB 3.25Å; W389-F393 HydrophobicContact CZ2-CD1 4.14Å; W389-F393 AromaticContact CZ2-CD2 3.54Å; W389-F393 HydrophobicContact CZ2-CD2 3.54Å; W389-F393 HydrophobicContact CZ2-CE2 4.4Å; W389-F393 AromaticContact CZ2-CG 3.38Å; W389-F393 HydrophobicContact CZ2-CG 3.38Å; W389-F393 HydrophobicContact CZ3-CD2 4.1Å; W389-F393 HydrophobicContact CZ3-CE2 4.31Å; W389-L400 HydrophobicContact CZ2-CD1 4.33Å; W389-L400 HydrophobicContact CZ2-CD2 4.07Å
390T44.9Very low61.7Low59 Ų5950.6 Ų50.636%0.36224%0.243SC..  trans-113.7124.4176.542.20000111.7L104 L388 I392L104-T390 VanDerWaalsContact CD1-OG1 3.25Å; L104-T390 WeakPolarHBondContact CD1-OG1 3.3Å; L388-T390 HydrophobicContact CD2-CG2 4.24Å; T390-I392 VanDerWaalsContact C-N 3.29Å; T390-I392 PolarHBondContact O-N 3.15Å
391E43.3Very low59.3Low114 Ų11452.6 Ų52.653%0.53326%0.263SS..SBendtrans45.3-31.2157.8-138.8131.1-149.700122.7F393 R394E391-F393 PolarHBondContact O-N 2.79Å; E391-F393 VanDerWaalsContact O-N 3.09Å; E391-R394 PolarHBondContact O-N 3.14Å
392I43.6Very low56.9Low105 Ų10556.1 Ų56.154%0.53829%0.285SS..THydrogen-bonded Turntrans-60.4-28.3-175.7-67175.2000111.8T390T390-I392 VanDerWaalsContact C-N 3.29Å; T390-I392 PolarHBondContact O-N 3.15Å
393F43.7Very low54.4Low42 Ų4257.9 Ų57.918%0.18429%0.294CS..THydrogen-bonded Turntrans-97.5-16.1175.8-77.8-85.2000114.7M307 W389 E391 Q395 N396 C397 L400M307-F393 HydrophobicContact CE-CZ 4.11Å; M307-F393 HydrophobicContact SD-CE2 4.05Å; M307-F393 HydrophobicContact SD-CZ 4.08Å; W389-F393 HydrophobicContact CH2-CB 4.05Å; W389-F393 HydrophobicContact CH2-CD1 4.17Å; W389-F393 AromaticContact CH2-CD2 3.47Å; W389-F393 HydrophobicContact CH2-CD2 3.47Å; W389-F393 VanDerWaalsContact CH2-CD2 3.47Å; W389-F393 AromaticContact CH2-CE2 3.88Å; W389-F393 HydrophobicContact CH2-CE2 3.88Å; W389-F393 AromaticContact CH2-CG 3.63Å; W389-F393 HydrophobicContact CH2-CG 3.63Å; W389-F393 HydrophobicContact CH2-CZ 4.39Å; W389-F393 HydrophobicContact CZ2-CB 3.25Å; W389-F393 HydrophobicContact CZ2-CD1 4.14Å; W389-F393 AromaticContact CZ2-CD2 3.54Å; W389-F393 HydrophobicContact CZ2-CD2 3.54Å; W389-F393 HydrophobicContact CZ2-CE2 4.4Å; W389-F393 AromaticContact CZ2-CG 3.38Å; W389-F393 HydrophobicContact CZ2-CG 3.38Å; W389-F393 HydrophobicContact CZ3-CD2 4.1Å; W389-F393 HydrophobicContact CZ3-CE2 4.31Å; E391-F393 PolarHBondContact O-N 2.79Å; E391-F393 VanDerWaalsContact O-N 3.09Å; F393-Q395 PolarHBondContact O-N 3.32Å; F393-N396 PolarHBondContact O-N 3.33Å; F393-C397 PolarHBondContact O-N 3.47Å; F393-L400 HydrophobicContact CB-CD1 4.17Å
394R44.7Very low51.5Low159 Ų15959.2 Ų59.260%0.631%0.312SS*.THydrogen-bonded Turntrans-67.2-26.3-177.4-165.9-178.4155.494.53.9111.8E391 N396 D412E391-R394 PolarHBondContact O-N 3.14Å; R394-N396 VanDerWaalsContact C-N 3.28Å; R394-N396 PolarHBondContact O-N 2.83Å; R394-D412 IonicContact CZ-OD2 2.71Å; R394-D412 IonicContact NE-OD2 4Å; R394-D412 IonicContact NH1-OD2 3.83Å; R394-D412 IonicContact NH2-OD2 3.2Å
395Q44.5Very low49Very low165 Ų16564.2 Ų64.277%0.77134%0.339SS*.THydrogen-bonded Turntrans-72.3-17177.9-67.5-174.314.400114.1F393F393-Q395 PolarHBondContact O-N 3.32Å
396N43.6Very low47.2Very low77 Ų7768.5 Ų68.541%0.41236%0.359SS..THydrogen-bonded Turntrans-125-1.2-171.7-74.6-21.6000116G271 F393 R394G271-N396 WeakPolarHBondContact CA-O 3.44Å; F393-N396 PolarHBondContact O-N 3.33Å; R394-N396 VanDerWaalsContact C-N 3.28Å; R394-N396 PolarHBondContact O-N 2.83Å
397C44.2Very low46.6Very low20 Ų2071.2 Ų71.214%0.13537%0.37CS..  trans-135.999.5179.5-122.20000112.1F393 I399 L400F393-C397 PolarHBondContact O-N 3.47Å; C397-I399 PolarHBondContact O-N 3.48Å; C397-I399 VanDerWaalsContact O-N 3.14Å; C397-L400 HydrophobicContact CB-CD1 3.68Å; C397-L400 HydrophobicContact CB-CG 4.21Å; C397-L400 PolarHBondContact O-N 2.86Å
398M43.5Very low47Very low137 Ų13772 Ų7268%0.67537%0.372SS*.THydrogen-bonded Turntrans-64.3-7.3168.2-115.9171.967.100113.2
399I42.6Very low48Very low28 Ų2872.1 Ų72.114%0.14437%0.373CS..THydrogen-bonded Turntrans-84.1-14-179.2-77.5169.4000113.3L274 C397 S401 T402L274-I399 HydrophobicContact CB-CD1 3.38Å; L274-I399 HydrophobicContact CD1-CD1 3.41Å; L274-I399 VanDerWaalsContact CD1-CD1 3.41Å; L274-I399 HydrophobicContact CD2-CD1 3.59Å; L274-I399 HydrophobicContact CG-CD1 3.58Å; C397-I399 PolarHBondContact O-N 3.48Å; C397-I399 VanDerWaalsContact O-N 3.14Å; I399-S401 PolarHBondContact O-N 3.35Å; I399-T402 PolarHBondContact O-N 2.98Å; I399-T402 PolarHBondContact O-OG1 3.2Å
400L45.1Very low49Very low20 Ų2072.1 Ų72.111%0.10538%0.381CS..G310 helixtrans-66.3-24.1-176.6-87.3151.9000113.5F300 W389 F393 C397 T402 L403 F407F300-L400 HydrophobicContact CE1-CD2 4.04Å; F300-L400 HydrophobicContact CE2-CG 4.48Å; F300-L400 HydrophobicContact CZ-CD1 4.31Å; F300-L400 HydrophobicContact CZ-CD2 3.71Å; F300-L400 HydrophobicContact CZ-CG 4.05Å; W389-L400 HydrophobicContact CZ2-CD1 4.33Å; W389-L400 HydrophobicContact CZ2-CD2 4.07Å; F393-L400 HydrophobicContact CB-CD1 4.17Å; C397-L400 HydrophobicContact CB-CD1 3.68Å; C397-L400 HydrophobicContact CB-CG 4.21Å; C397-L400 PolarHBondContact O-N 2.86Å; L400-T402 VanDerWaalsContact C-N 3.25Å; L400-T402 PolarHBondContact O-N 2.87Å; L400-L403 HydrophobicContact CD2-CD1 4.27Å; L400-L403 PolarHBondContact O-N 3.1Å; L400-F407 HydrophobicContact CD2-CE1 4.11Å; L400-F407 HydrophobicContact CD2-CZ 4.12Å
401S39.8Very low50.7Low108 Ų10871.2 Ų71.276%0.75537%0.374SS*.G310 helixtrans-70.2-18.9178.759.90000114.1I399I399-S401 PolarHBondContact O-N 3.35Å
402T39.8Very low52.4Low82 Ų8270.6 Ų70.650%0.50337%0.374SS..G310 helixtrans-96.3-4.2178.735.50000113.9I399 L400 G404I399-T402 PolarHBondContact O-N 2.98Å; I399-T402 PolarHBondContact O-OG1 3.2Å; L400-T402 VanDerWaalsContact C-N 3.25Å; L400-T402 PolarHBondContact O-N 2.87Å; T402-G404 PolarHBondContact O-N 3.18Å
403L40.1Very low54.3Low37 Ų3773.1 Ų73.119%0.19439%0.388CS..SBendtrans-852.5177.1-71174.8000113.4V297 F300 L400 D405 F407V297-L403 HydrophobicContact CB-CD2 3.73Å; V297-L403 HydrophobicContact CG1-CD2 3.36Å; V297-L403 HydrophobicContact CG2-CD2 3.26Å; F300-L403 HydrophobicContact CD1-CD1 3.49Å; F300-L403 VanDerWaalsContact CD1-CD1 3.49Å; F300-L403 HydrophobicContact CE1-CD1 3.71Å; F300-L403 HydrophobicContact CG-CD1 4.1Å; F300-L403 HydrophobicContact CZ-CD1 4.47Å; L400-L403 HydrophobicContact CD2-CD1 4.27Å; L400-L403 PolarHBondContact O-N 3.1Å; L403-D405 PolarHBondContact O-N 2.74Å; L403-F407 HydrophobicContact CB-CE2 4.22Å; L403-F407 HydrophobicContact CB-CZ 3.76Å
404G33.4Very low56.4Low41 Ų4172.6 Ų72.642%0.42339%0.387SS..THydrogen-bonded Turntrans78.8-78144.500000116.9T402T402-G404 PolarHBondContact O-N 3.18Å
405D39.5Very low58.4Low106 Ų10668.2 Ų68.257%0.56738%0.379SS*.THydrogen-bonded Turntrans-127.8-13.3-141.2-56-31.8000115.3N376 L403N376-D405 WeakPolarHBondContact CB-O 3.36Å; N376-D405 VanDerWaalsContact CG-O 3.28Å; N376-D405 PolarHBondContact ND2-O 2.9Å; L403-D405 PolarHBondContact O-N 2.74Å
406H53.5Low60.3Low90 Ų9062.8 Ų62.842%0.41736%0.355SS..  trans-112.421.6-172.4-58.8121.9000115.4Y408H406-Y408 WeakPolarHBondContact O-CD2 3.43Å; H406-Y408 PolarHBondContact O-N 2.95Å; H406-Y408 VanDerWaalsContact O-N 3.15Å
407F69.3Low62.4Low57 Ų5763.7 Ų63.725%0.2536%0.355CS..  trans-87.576.5-173.3-60.6-63.5000114.5L400 L403 K409 A410 M420L400-F407 HydrophobicContact CD2-CE1 4.11Å; L400-F407 HydrophobicContact CD2-CZ 4.12Å; L403-F407 HydrophobicContact CB-CE2 4.22Å; L403-F407 HydrophobicContact CB-CZ 3.76Å; F407-K409 PolarHBondContact O-N 2.98Å; F407-A410 HydrophobicContact CB-CB 3.89Å; F407-M420 WeakPolarHBondContact O-CE 3.33Å
408Y77.2Confident64.7Low26 Ų2664.6 Ų64.610%0.10236%0.358CS..THydrogen-bonded Turntrans-64.6-25.6-168.4-65.6-56.6000117.7V375 G378 L379 H406 M420 I421V375-Y408 HydrophobicContact CB-CD1 4.35Å; V375-Y408 HydrophobicContact CB-CE1 3.81Å; V375-Y408 HydrophobicContact CG1-CD1 3.84Å; V375-Y408 HydrophobicContact CG1-CE1 3.66Å; V375-Y408 PolarHBondContact O-OH 2.46Å; G378-Y408 VanDerWaalsContact CA-OH 3.3Å; G378-Y408 WeakPolarHBondContact CA-OH 3.21Å; L379-Y408 HydrophobicContact CB-CE1 4.12Å; L379-Y408 HydrophobicContact CB-CE2 4.06Å; L379-Y408 WeakPolarHBondContact CB-OH 3.47Å; L379-Y408 HydrophobicContact CD2-CE2 4.49Å; L379-Y408 PolarHBondContact N-OH 3.12Å; H406-Y408 WeakPolarHBondContact O-CD2 3.43Å; H406-Y408 PolarHBondContact O-N 2.95Å; H406-Y408 VanDerWaalsContact O-N 3.15Å; Y408-M420 WeakPolarHBondContact O-CB 3.38Å; Y408-M420 PolarHBondContact O-N 2.9Å; Y408-M420 VanDerWaalsContact O-N 3.1Å; Y408-I421 VanDerWaalsContact CB-CG1 3.43Å; Y408-I421 HydrophobicContact CD1-CD1 4.16Å; Y408-I421 HydrophobicContact CD1-CG1 3.48Å; Y408-I421 VanDerWaalsContact CD1-CG1 3.48Å; Y408-I421 HydrophobicContact CD2-CG1 4.29Å; Y408-I421 HydrophobicContact CE1-CG1 4.36Å; Y408-I421 HydrophobicContact CG-CB 4.38Å; Y408-I421 HydrophobicContact CG-CG1 3.45Å; Y408-I421 VanDerWaalsContact CG-CG1 3.45Å; Y408-I421 PolarHBondContact O-N 3.37Å
409K80.1Confident66.9Low4 Ų458.4 Ų58.42%0.01733%0.328CS..THydrogen-bonded Turntrans-131.135.5-173.9-64.5-179.4179-178.10113.9D100 A384 G386 L388 F407 Q419 I421D100-K409 IonicContact OD1-NZ 3.56Å; D100-K409 PolarHBondContact OD1-NZ 3.02Å; D100-K409 IonicContact OD2-NZ 2.81Å; D100-K409 PolarHBondContact OD2-NZ 3.07Å; A384-K409 PolarHBondContact O-NZ 3.11Å; G386-K409 VanDerWaalsContact O-CE 3.26Å; G386-K409 WeakPolarHBondContact O-CE 3.29Å; G386-K409 PolarHBondContact O-NZ 3.36Å; L388-K409 HydrophobicContact CD2-CB 3.77Å; L388-K409 HydrophobicContact CD2-CD 3.34Å; L388-K409 HydrophobicContact CD2-CG 4.18Å; L388-K409 HydrophobicContact CG-CD 3.63Å; F407-K409 PolarHBondContact O-N 2.98Å; K409-Q419 HydrophobicContact CB-CB 4.29Å; K409-Q419 HydrophobicContact CB-CG 4.21Å; K409-Q419 HydrophobicContact CG-CB 4.04Å; K409-Q419 HydrophobicContact CG-CG 4.39Å; K409-I421 WeakPolarHBondContact CE-O 3.2Å; K409-I421 VanDerWaalsContact CG-O 3.23Å; K409-I421 WeakPolarHBondContact CG-O 3.35Å
410A73.4Confident69.2Low38 Ų3857.8 Ų57.831%0.31432%0.324SS..  trans-116.213.3-170.700000115F407 D412F407-A410 HydrophobicContact CB-CB 3.89Å; A410-D412 PolarHBondContact O-N 3.13Å
411N80.4Confident71.4Confident40 Ų4056.8 Ų56.821%0.21432%0.319CS..  trans-83.299.9178.2-169.6-35000110.5A365 L413 L414 Q419A365-N411 PolarHBondContact O-ND2 3.3Å; N411-L413 PolarHBondContact O-N 3.05Å; N411-L413 WeakPolarHBondContact OD1-CB 3.36Å; N411-L413 PolarHBondContact OD1-N 2.65Å; N411-L414 HydrophobicContact CB-CB 4.39Å; N411-L414 HydrophobicContact CB-CD1 4.24Å; N411-L414 HydrophobicContact CB-CG 4.41Å; N411-L414 PolarHBondContact O-N 3.45Å; N411-Q419 PolarHBondContact O-NE2 3.06Å
412D78.3Confident74Confident100 Ų10051.7 Ų51.754%0.53528%0.284SS..THydrogen-bonded Turntrans-60.3-16.8-177.9-60.4-25000114R394 A410R394-D412 IonicContact CZ-OD2 2.71Å; R394-D412 IonicContact NE-OD2 4Å; R394-D412 IonicContact NH1-OD2 3.83Å; R394-D412 IonicContact NH2-OD2 3.2Å; A410-D412 PolarHBondContact O-N 3.13Å
413L84.4Confident76.5Confident159 Ų15947.8 Ų47.883%0.83226%0.26SS*.THydrogen-bonded Turntrans-89.1-8.1-179.8-56.7178.6000112.9N411N411-L413 PolarHBondContact O-N 3.05Å; N411-L413 WeakPolarHBondContact OD1-CB 3.36Å; N411-L413 PolarHBondContact OD1-N 2.65Å
414L86.5Confident79.2Confident31 Ų3147.9 Ų47.916%0.16226%0.26CS..SBendtrans-117.6141.5-174.5-64.8-179.5000111.4A365 N411 D418 Q419A365-L414 VanDerWaalsContact CA-CD1 3.46Å; A365-L414 HydrophobicContact CB-CD1 3.68Å; N411-L414 HydrophobicContact CB-CB 4.39Å; N411-L414 HydrophobicContact CB-CD1 4.24Å; N411-L414 HydrophobicContact CB-CG 4.41Å; N411-L414 PolarHBondContact O-N 3.45Å; L414-D418 HydrophobicContact CB-CB 4.08Å; L414-D418 WeakPolarHBondContact CD1-O 3.4Å; L414-D418 HydrophobicContact CD2-CB 4.43Å; L414-Q419 PolarHBondContact O-NE2 2.84Å
415P86.8Confident82.3Confident67 Ų6746.2 Ų46.244%0.43524%0.242SC..  trans-61.9158.6170.328.7-35000110.5K417 D418P415-K417 HydrophobicContact CB-CG 4.2Å; P415-K417 HydrophobicContact CG-CG 4.13Å; P415-K417 PolarHBondContact O-N 2.95Å; P415-D418 HydrophobicContact CG-CB 3.83Å; P415-D418 PolarHBondContact O-N 3.06Å
416I84.4Confident85.1Confident50 Ų5044.5 Ų44.526%0.25623%0.233SC..G310 helixtrans-55.9-29.4-174.3-143.7170.3000113.5L97 E101 Q419L97-I416 HydrophobicContact CD2-CG2 3.97Å; E101-I416 HydrophobicContact CB-CD1 3.99Å; E101-I416 HydrophobicContact CG-CD1 4.11Å; I416-Q419 VanDerWaalsContact O-CG 3.29Å; I416-Q419 WeakPolarHBondContact O-CG 3.12Å
417K89Confident87.2Confident97 Ų9742.8 Ų42.842%0.42223%0.226SC..G310 helixtrans-75.9-19.4178.260.5166.4-169.7174.60114.7L97 P415 S422 L424L97-K417 HydrophobicContact CD2-CB 4.25Å; P415-K417 HydrophobicContact CB-CG 4.2Å; P415-K417 HydrophobicContact CG-CG 4.13Å; P415-K417 PolarHBondContact O-N 2.95Å; K417-S422 WeakPolarHBondContact CA-OG 3.45Å; K417-S422 WeakPolarHBondContact O-CB 3.19Å; K417-S422 PolarHBondContact O-OG 3.27Å; K417-L424 HydrophobicContact CB-CB 4.1Å; K417-L424 HydrophobicContact CB-CD2 4.28Å; K417-L424 HydrophobicContact CD-CD2 4.48Å
418D91.6Very high88.6Confident38 Ų3845 Ų4520%0.20324%0.236CC..G310 helixtrans-101.77.7-176.2-76.619.4000111.8R361 K364 L414 P415R361-D418 WeakPolarHBondContact CG-O 3.48Å; K364-D418 IonicContact NZ-OD2 3.54Å; K364-D418 PolarHBondContact NZ-OD2 3.06Å; L414-D418 HydrophobicContact CB-CB 4.08Å; L414-D418 WeakPolarHBondContact CD1-O 3.4Å; L414-D418 HydrophobicContact CD2-CB 4.43Å; P415-D418 HydrophobicContact CG-CB 3.83Å; P415-D418 PolarHBondContact O-N 3.06Å
419Q90.7Very high89.6Confident7 Ų748 Ų483%0.03325%0.253CS..SBendtrans-67.1167.3177.2-63.2-62.7-38.200111.9R361 K409 N411 L414 I416 I421R361-Q419 WeakPolarHBondContact CD-O 3.47Å; R361-Q419 WeakPolarHBondContact CG-O 3.28Å; R361-Q419 PolarHBondContact NE-O 2.92Å; K409-Q419 HydrophobicContact CB-CB 4.29Å; K409-Q419 HydrophobicContact CB-CG 4.21Å; K409-Q419 HydrophobicContact CG-CB 4.04Å; K409-Q419 HydrophobicContact CG-CG 4.39Å; N411-Q419 PolarHBondContact O-NE2 3.06Å; L414-Q419 PolarHBondContact O-NE2 2.84Å; I416-Q419 VanDerWaalsContact O-CG 3.29Å; I416-Q419 WeakPolarHBondContact O-CG 3.12Å; Q419-I421 VanDerWaalsContact C-N 3.28Å; Q419-I421 WeakPolarHBondContact CB-O 3.41Å; Q419-I421 PolarHBondContact O-N 3.33Å
420M90.4Very high90.5Very high15 Ų1548.6 Ų48.67%0.07426%0.255CS..SBendtrans-56-48.1178.7-68.7176.2-10100110.5I362 A365 G367 V375 F407 Y408I362-M420 VanDerWaalsContact CG1-O 3.29Å; I362-M420 WeakPolarHBondContact CG1-O 3.48Å; I362-M420 HydrophobicContact CG2-CG 4.48Å; A365-M420 HydrophobicContact CB-CB 4.35Å; A365-M420 HydrophobicContact CB-CG 3.54Å; G367-M420 WeakPolarHBondContact CA-SD 3.18Å; V375-M420 HydrophobicContact CG1-CB 4.17Å; V375-M420 HydrophobicContact CG1-SD 4.37Å; F407-M420 WeakPolarHBondContact O-CE 3.33Å; Y408-M420 WeakPolarHBondContact O-CB 3.38Å; Y408-M420 PolarHBondContact O-N 2.9Å; Y408-M420 VanDerWaalsContact O-N 3.1Å
421I90.9Very high91.7Very high0 Ų053.7 Ų53.70%027%0.272CS..SBendtrans-104123169.3-55.3-59000109.1V375 L379 L381 S382 A384 Y408 K409 Q419V375-I421 HydrophobicContact CB-CD1 4.41Å; V375-I421 HydrophobicContact CG2-CD1 3.99Å; L379-I421 HydrophobicContact CD2-CD1 3.84Å; L379-I421 HydrophobicContact CD2-CG1 3.96Å; L381-I421 WeakPolarHBondContact O-CD1 3.01Å; S382-I421 VanDerWaalsContact O-CA 3.31Å; S382-I421 WeakPolarHBondContact O-CA 3.44Å; A384-I421 HydrophobicContact CB-CG2 3.83Å; Y408-I421 VanDerWaalsContact CB-CG1 3.43Å; Y408-I421 HydrophobicContact CD1-CD1 4.16Å; Y408-I421 HydrophobicContact CD1-CG1 3.48Å; Y408-I421 VanDerWaalsContact CD1-CG1 3.48Å; Y408-I421 HydrophobicContact CD2-CG1 4.29Å; Y408-I421 HydrophobicContact CE1-CG1 4.36Å; Y408-I421 HydrophobicContact CG-CB 4.38Å; Y408-I421 HydrophobicContact CG-CG1 3.45Å; Y408-I421 VanDerWaalsContact CG-CG1 3.45Å; Y408-I421 PolarHBondContact O-N 3.37Å; K409-I421 WeakPolarHBondContact CE-O 3.2Å; K409-I421 VanDerWaalsContact CG-O 3.23Å; K409-I421 WeakPolarHBondContact CG-O 3.35Å; Q419-I421 VanDerWaalsContact C-N 3.28Å; Q419-I421 WeakPolarHBondContact CB-O 3.41Å; Q419-I421 PolarHBondContact O-N 3.33Å
422S93.3Very high92.5Very high1 Ų152.2 Ų52.21%0.00727%0.265CS..BIsolated β-bridgetrans-107.4142.2-177.4-171.20000111.9S382 R383 A384 K417 L424S382-S422 PolarHBondContact O-N 3.45Å; R383-S422 CarbonylContact C-O 3.58Å; R383-S422 WeakPolarHBondContact CA-O 3.4Å; R383-S422 WeakPolarHBondContact CB-O 3.29Å; A384-S422 PolarHBondContact N-O 3.11Å; K417-S422 WeakPolarHBondContact CA-OG 3.45Å; K417-S422 WeakPolarHBondContact O-CB 3.19Å; K417-S422 PolarHBondContact O-OG 3.27Å; S422-L424 WeakPolarHBondContact OG-CB 3.31Å; S422-L424 PolarHBondContact OG-N 2.96Å; S422-L424 VanDerWaalsContact OG-N 3.17Å
423A94.2Very high93.4Very high0 Ų052.4 Ų52.40%026%0.262CS..  trans-94.37.416800000112.6L97 D100 I385 P425L97-A423 HydrophobicContact CD2-CB 4.45Å; D100-A423 HydrophobicContact CB-CB 3.57Å; D100-A423 VanDerWaalsContact CG-CB 3.43Å; D100-A423 WeakPolarHBondContact OD2-CB 3.45Å; I385-A423 HydrophobicContact CG1-CB 4.48Å; A423-P425 VanDerWaalsContact O-CD 3.31Å; A423-P425 WeakPolarHBondContact O-CD 3.37Å
424L95.8Very high93.9Very high39 Ų3953.4 Ų53.420%0.20426%0.26CS..PPolyproline II helixtrans-70.5119.3177.9-177.172.3000110E93 L97 R383 K417 S422E93-L424 HydrophobicContact CG-CD1 3.66Å; L97-L424 HydrophobicContact CD1-CD1 3.97Å; L97-L424 HydrophobicContact CD2-CB 4.09Å; L97-L424 HydrophobicContact CD2-CD1 4.32Å; L97-L424 HydrophobicContact CG-CD1 4.33Å; R383-L424 WeakPolarHBondContact CD-O 3.23Å; R383-L424 PolarHBondContact NH1-O 3.29Å; K417-L424 HydrophobicContact CB-CB 4.1Å; K417-L424 HydrophobicContact CB-CD2 4.28Å; K417-L424 HydrophobicContact CD-CD2 4.48Å; S422-L424 WeakPolarHBondContact OG-CB 3.31Å; S422-L424 PolarHBondContact OG-N 2.96Å; S422-L424 VanDerWaalsContact OG-N 3.17Å
425P97.9Very high94.4Very high5 Ų552.6 Ų52.63%0.03226%0.259CS..PPolyproline II helixtrans-78143.9177.431.6-34.5000111.6F96 A329 N330 V331 A423 I427F96-P425 HydrophobicContact CB-CG 3.92Å; F96-P425 HydrophobicContact CD1-CB 4.15Å; F96-P425 HydrophobicContact CD1-CG 4.28Å; F96-P425 HydrophobicContact CD2-CB 4.29Å; F96-P425 HydrophobicContact CD2-CG 3.94Å; F96-P425 HydrophobicContact CE1-CB 4.25Å; F96-P425 HydrophobicContact CE2-CB 4.42Å; F96-P425 HydrophobicContact CE2-CG 4.5Å; F96-P425 HydrophobicContact CG-CB 4.14Å; F96-P425 HydrophobicContact CG-CG 3.81Å; F96-P425 HydrophobicContact CZ-CB 4.39Å; A329-P425 HydrophobicContact CB-CB 3.97Å; N330-P425 VanDerWaalsContact O-CA 3.25Å; N330-P425 WeakPolarHBondContact O-CA 3.29Å; V331-P425 VanDerWaalsContact CG2-CA 3.47Å; V331-P425 HydrophobicContact CG2-CB 3.77Å; A423-P425 VanDerWaalsContact O-CD 3.31Å; A423-P425 WeakPolarHBondContact O-CD 3.37Å; P425-I427 HydrophobicContact CB-CD1 3.95Å; P425-I427 HydrophobicContact CG-CD1 3.84Å
426D98.2Very high94.9Very high71 Ų7149.4 Ų49.438%0.3824%0.239SC..EExtended strand (participates in β ladder)trans-78.5129.9158.1-83.410.2000108.8A329 N330 H351 R383A329-D426 WeakPolarHBondContact CA-O 3.46Å; N330-D426 PolarHBondContact N-O 2.94Å; N330-D426 PolarHBondContact O-N 3.33Å; H351-D426 IonicContact NE2-OD1 2.74Å; H351-D426 IonicContact NE2-OD2 3.26Å; H351-D426 PolarHBondContact NE2-OD2 2.94Å; R383-D426 IonicContact CZ-OD1 3.75Å; R383-D426 IonicContact NH1-OD1 3.92Å; R383-D426 PolarHBondContact NH1-OD1 3.43Å; R383-D426 IonicContact NH2-OD1 2.81Å; R383-D426 PolarHBondContact NH2-OD1 3.12Å; R383-D426 IonicContact NH2-OD2 2.62Å
427I98.4Very high95.5Very high53 Ų5350.9 Ų50.927%0.27225%0.245SC..EExtended strand (participates in β ladder)trans-107.9123.3-177.7-53-61.4000110.9P89 L92 V328 A329 P425 I429P89-I427 HydrophobicContact CB-CG2 4.26Å; L92-I427 HydrophobicContact CB-CD1 3.7Å; L92-I427 HydrophobicContact CD1-CD1 4.35Å; V328-I427 CarbonylContact O-C 3.5Å; V328-I427 VanDerWaalsContact O-CA 3.29Å; V328-I427 WeakPolarHBondContact O-CA 3.44Å; A329-I427 HydrophobicContact CB-CD1 3.39Å; P425-I427 HydrophobicContact CB-CD1 3.95Å; P425-I427 HydrophobicContact CG-CD1 3.84Å; I427-I429 HydrophobicContact CG2-CG1 4.35Å
428K98.5Very high96Very high104 Ų10446.6 Ų46.645%0.45223%0.226SC..EExtended strand (participates in β ladder)trans-113.2133170.2-169.971.9171.5-1690110.4Y327 V328 L347Y327-K428 CarbonylContact C-O 3.56Å; Y327-K428 WeakPolarHBondContact CA-O 3.21Å; V328-K428 HydrophobicContact CB-CB 4.28Å; V328-K428 PolarHBondContact N-O 3.37Å; V328-K428 PolarHBondContact O-N 3.48Å; L347-K428 WeakPolarHBondContact O-CB 3.48Å; L347-K428 WeakPolarHBondContact O-CG 3.31Å
429I98.6Very high96.3Very high90 Ų9045 Ų4546%0.46222%0.217SC..EExtended strand (participates in β ladder)trans-113.9129.9174.5-49.2176.7000108.1P89 I325 V326 Y327 I427P89-I429 HydrophobicContact CB-CD1 4.41Å; P89-I429 HydrophobicContact CG-CD1 3.57Å; P89-I429 HydrophobicContact CG-CG1 4.43Å; I325-I429 HydrophobicContact CG2-CG2 3.57Å; V326-I429 WeakPolarHBondContact O-CA 3.49Å; Y327-I429 HydrophobicContact CD1-CD1 4.2Å; Y327-I429 HydrophobicContact CD1-CG1 3.87Å; Y327-I429 HydrophobicContact CD1-CG2 4.1Å; Y327-I429 HydrophobicContact CE1-CD1 4.09Å; Y327-I429 HydrophobicContact CE1-CG1 4.17Å; Y327-I429 HydrophobicContact CE1-CG2 3.91Å; I427-I429 HydrophobicContact CG2-CG1 4.35Å
430H98.5Very high96.7Very high15 Ų1544.6 Ų44.67%0.06922%0.215CC..EExtended strand (participates in β ladder)trans-137.2126.5179.9178.877.8000110.4V326 L338 R340 K345 L347 D436V326-H430 PolarHBondContact N-O 3.19Å; V326-H430 PolarHBondContact O-N 3.41Å; L338-H430 VanDerWaalsContact CD2-NE2 3.29Å; L338-H430 WeakPolarHBondContact CD2-NE2 3.32Å; R340-H430 PolarHBondContact NH2-CE1 3.43Å; R340-H430 PolarHBondContact NH2-NE2 3.04Å; K345-H430 PolarHBondContact NZ-CE1 3.11Å; K345-H430 PolarHBondContact NZ-ND1 2.9Å; L347-H430 HydrophobicContact CD1-CB 4.33Å; L347-H430 HydrophobicContact CD2-CB 4.19Å; H430-D436 IonicContact NE2-OD2 3.31Å; H430-D436 PolarHBondContact NE2-OD2 3.47Å; H430-D436 VanDerWaalsContact NE2-OD2 3.09Å
431E98.2Very high97.1Very high145 Ų14543.9 Ų43.968%0.67821%0.212SC*.EExtended strand (participates in β ladder)trans-86.6124.7173.1-173.3176.8175.500109.4
432L98.1Very high97.5Very high9 Ų943.9 Ų43.95%0.04721%0.212CC..  trans-72.3137.9-178.4-66.2172.7000111.6F21 L321 K324 V326 L338 D436 F502 W504F21-L432 HydrophobicContact CE1-CD1 3.81Å; F21-L432 HydrophobicContact CZ-CD1 4.49Å; L321-L432 HydrophobicContact CD1-CD1 3.68Å; K324-L432 HydrophobicContact CB-CB 4.24Å; K324-L432 VanDerWaalsContact O-CB 3.26Å; K324-L432 WeakPolarHBondContact O-CB 3.39Å; K324-L432 WeakPolarHBondContact O-CG 3.43Å; K324-L432 PolarHBondContact O-N 2.76Å; V326-L432 HydrophobicContact CG2-CD1 3.87Å; V326-L432 HydrophobicContact CG2-CD2 3.79Å; V326-L432 HydrophobicContact CG2-CG 3.77Å; L338-L432 HydrophobicContact CD1-CD2 4.1Å; L432-D436 VanDerWaalsContact CA-OD2 3.25Å; L432-D436 WeakPolarHBondContact CA-OD2 3.2Å; L432-D436 HydrophobicContact CD2-CB 3.86Å; L432-F502 HydrophobicContact CD1-CD1 3.77Å; L432-F502 HydrophobicContact CD1-CE1 3.49Å; L432-F502 VanDerWaalsContact CD1-CE1 3.49Å; L432-F502 HydrophobicContact CD1-CE2 4.34Å; L432-F502 HydrophobicContact CD1-CG 4.32Å; L432-F502 HydrophobicContact CD1-CZ 3.81Å; L432-F502 HydrophobicContact CD2-CD2 4.35Å; L432-F502 HydrophobicContact CD2-CE1 4.25Å; L432-F502 HydrophobicContact CD2-CE2 3.73Å; L432-F502 HydrophobicContact CD2-CZ 3.67Å; L432-F502 HydrophobicContact CG-CZ 4.43Å; L432-W504 HydrophobicContact CB-CH2 3.96Å; L432-W504 HydrophobicContact CB-CZ2 3.95Å
433E96.9Very high97.7Very high104 Ų10443.9 Ų43.949%0.48621%0.212SC..  trans-120161.6176.1-65.4168.6-129.600110.6R340 G435 D436 W504R340-E433 IonicContact CZ-OE1 3.47Å; R340-E433 VanDerWaalsContact CZ-OE1 3.31Å; R340-E433 IonicContact CZ-OE2 3.09Å; R340-E433 IonicContact NH1-OE1 3.87Å; R340-E433 PolarHBondContact NH1-OE1 2.84Å; R340-E433 IonicContact NH1-OE2 3.28Å; R340-E433 PolarHBondContact NH1-OE2 3.4Å; R340-E433 VanDerWaalsContact NH2-CD 3.31Å; R340-E433 IonicContact NH2-OE1 3.73Å; R340-E433 PolarHBondContact NH2-OE1 2.8Å; R340-E433 IonicContact NH2-OE2 2.78Å; E433-G435 PolarHBondContact O-N 3.38Å; E433-D436 PolarHBondContact N-OD2 3.13Å; E433-D436 VanDerWaalsContact O-CB 3.27Å; E433-D436 WeakPolarHBondContact O-CB 3.29Å; E433-D436 PolarHBondContact O-N 3.01Å; E433-W504 WeakPolarHBondContact O-CH2 3.33Å; E433-W504 WeakPolarHBondContact O-CZ2 3.39Å
434K95.2Very high97.9Very high180 Ų18044.5 Ų44.578%0.78322%0.215SC*.THydrogen-bonded Turntrans-55.7-21.8-176.5-68.9-173.9177.5-175.10115.4D436 W504K434-D436 VanDerWaalsContact C-N 3.34Å; K434-W504 HydrophobicContact CG-CD2 4.37Å; K434-W504 HydrophobicContact CG-CE3 3.9Å; K434-W504 HydrophobicContact CG-CZ3 4.15Å
435G96.4Very high97.9Very high15 Ų1542.7 Ų42.716%0.15521%0.206CC..THydrogen-bonded Turntrans-81.1-11175.400000114.1R340 E341 E433 E437R340-G435 CarbonylContact C-O 3.58Å; R340-G435 WeakPolarHBondContact CA-O 3.38Å; E341-G435 PolarHBondContact N-O 2.78Å; E433-G435 PolarHBondContact O-N 3.38Å; G435-E437 PolarHBondContact O-N 3.35Å
436D98.1Very high98Very high0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-76.1114.3175.5-66.2-31000109.6L338 C339 R340 H430 L432 E433 K434 F502 W504L338-D436 HydrophobicContact CD1-CB 4.22Å; L338-D436 WeakPolarHBondContact CD2-OD1 3.2Å; C339-D436 WeakPolarHBondContact O-CA 3.42Å; R340-D436 WeakPolarHBondContact CB-OD1 3.13Å; R340-D436 IonicContact CZ-OD1 3.83Å; R340-D436 VanDerWaalsContact CZ-OD1 3.28Å; R340-D436 IonicContact CZ-OD2 3.45Å; R340-D436 IonicContact NE-OD1 3.41Å; R340-D436 PolarHBondContact NE-OD1 3.28Å; R340-D436 IonicContact NE-OD2 3.3Å; R340-D436 VanDerWaalsContact NH2-CG 3.32Å; R340-D436 IonicContact NH2-OD1 3.44Å; R340-D436 PolarHBondContact NH2-OD1 3.17Å; R340-D436 VanDerWaalsContact NH2-OD1 3.08Å; R340-D436 IonicContact NH2-OD2 2.77Å; R340-D436 PolarHBondContact NH2-OD2 3.16Å; H430-D436 IonicContact NE2-OD2 3.31Å; H430-D436 PolarHBondContact NE2-OD2 3.47Å; H430-D436 VanDerWaalsContact NE2-OD2 3.09Å; L432-D436 VanDerWaalsContact CA-OD2 3.25Å; L432-D436 WeakPolarHBondContact CA-OD2 3.2Å; L432-D436 HydrophobicContact CD2-CB 3.86Å; E433-D436 PolarHBondContact N-OD2 3.13Å; E433-D436 VanDerWaalsContact O-CB 3.27Å; E433-D436 WeakPolarHBondContact O-CB 3.29Å; E433-D436 PolarHBondContact O-N 3.01Å; K434-D436 VanDerWaalsContact C-N 3.34Å; D436-F502 HydrophobicContact CB-CD2 4.21Å; D436-F502 HydrophobicContact CB-CE2 4.31Å; D436-F502 WeakPolarHBondContact O-CD2 3.29Å; D436-W504 HydrophobicContact CB-CZ2 4.49Å; D436-W504 PolarHBondContact O-NE1 2.67Å
437E97.4Very high98Very high81 Ų8139.8 Ų39.838%0.37919%0.189SC..EExtended strand (participates in β ladder)trans-94.4-50.5-170.7-63.4179.3-105.900111.7C339 E341 G342 G435 F502C339-E437 HydrophobicContact CB-CB 4.44Å; C339-E437 PolarHBondContact O-N 3.44Å; E341-E437 WeakPolarHBondContact CA-OE1 3.34Å; E341-E437 PolarHBondContact N-OE1 3.5Å; G342-E437 PolarHBondContact N-OE1 3.08Å; G435-E437 PolarHBondContact O-N 3.35Å; E437-F502 PolarHBondContact O-N 3.07Å
438F98.5Very high97.8Very high7 Ų741.1 Ų41.13%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-156.9165.4-179.161.2-91.4000111.5C339 V440 I456 I459 S460 V499 V500C339-F438 HydrophobicContact CB-CD1 3.76Å; C339-F438 HydrophobicContact CB-CD2 3.97Å; C339-F438 HydrophobicContact CB-CE1 3.51Å; C339-F438 HydrophobicContact CB-CE2 3.74Å; C339-F438 HydrophobicContact CB-CG 3.98Å; C339-F438 HydrophobicContact CB-CZ 3.49Å; C339-F438 VanDerWaalsContact CB-CZ 3.49Å; C339-F438 PolarHBondContact N-O 3.32Å; C339-F438 VanDerWaalsContact SG-CE1 3.56Å; F438-V440 HydrophobicContact CD2-CG2 3.88Å; F438-V440 HydrophobicContact CE2-CG2 3.84Å; F438-I456 HydrophobicContact CD2-CD1 4.4Å; F438-I456 HydrophobicContact CE2-CD1 3.49Å; F438-I456 VanDerWaalsContact CE2-CD1 3.49Å; F438-I456 HydrophobicContact CZ-CD1 3.97Å; F438-I456 HydrophobicContact CZ-CG2 4.1Å; F438-I459 HydrophobicContact CD1-CG2 4.29Å; F438-I459 HydrophobicContact CD2-CG2 3.85Å; F438-I459 HydrophobicContact CE1-CG2 3.89Å; F438-I459 HydrophobicContact CE2-CB 3.72Å; F438-I459 HydrophobicContact CE2-CD1 3.88Å; F438-I459 HydrophobicContact CE2-CG1 4.43Å; F438-I459 HydrophobicContact CE2-CG2 3.38Å; F438-I459 HydrophobicContact CG-CG2 4.28Å; F438-I459 HydrophobicContact CZ-CB 3.69Å; F438-I459 HydrophobicContact CZ-CG2 3.42Å; F438-I459 VanDerWaalsContact CZ-CG2 3.42Å; F438-S460 WeakPolarHBondContact CE1-OG 3.2Å; F438-V499 HydrophobicContact CD2-CG1 4.49Å; F438-V500 CarbonylContact C-O 3.48Å; F438-V500 WeakPolarHBondContact CA-O 3.41Å; F438-V500 VanDerWaalsContact CB-O 3.26Å; F438-V500 WeakPolarHBondContact CB-O 3.42Å
439L98.3Very high97.8Very high3 Ų337.9 Ų37.92%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-122.7146.8176.8-171.680.8000109.5V319 V326 V337 L338 L347 I441 V500 F502V319-L439 HydrophobicContact CB-CD2 4.35Å; V319-L439 HydrophobicContact CG1-CD2 3.7Å; V319-L439 HydrophobicContact CG2-CD2 3.98Å; V326-L439 HydrophobicContact CG1-CD2 4.49Å; V337-L439 CarbonylContact O-C 3.5Å; V337-L439 WeakPolarHBondContact O-CA 3.48Å; L338-L439 HydrophobicContact CB-CD1 3.89Å; L338-L439 HydrophobicContact CD1-CB 4.45Å; L338-L439 HydrophobicContact CD1-CD1 3.85Å; L347-L439 HydrophobicContact CD1-CD1 3.73Å; L439-I441 HydrophobicContact CD2-CG1 4.43Å; L439-V500 HydrophobicContact CB-CB 4.35Å; L439-V500 PolarHBondContact N-O 2.99Å; L439-V500 PolarHBondContact O-N 3.24Å; L439-F502 HydrophobicContact CB-CE2 4.36Å; L439-F502 HydrophobicContact CB-CZ 3.96Å
440V98.8Very high97.7Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-125.6132.8177.2-168.90000109.4C336 V337 F438 W447 V455 I456 I459 V497 I498C336-V440 CarbonylContact C-O 3.59Å; C336-V440 VanDerWaalsContact CA-O 3.28Å; C336-V440 WeakPolarHBondContact CA-O 3.15Å; V337-V440 PolarHBondContact N-O 3Å; V337-V440 PolarHBondContact O-N 3.35Å; F438-V440 HydrophobicContact CD2-CG2 3.88Å; F438-V440 HydrophobicContact CE2-CG2 3.84Å; V440-W447 HydrophobicContact CB-CH2 4.25Å; V440-W447 HydrophobicContact CG1-CH2 3.95Å; V440-W447 HydrophobicContact CG1-CZ2 4.2Å; V440-V455 HydrophobicContact CG1-CG1 4.17Å; V440-V455 HydrophobicContact CG2-CG1 4.4Å; V440-I456 HydrophobicContact CG2-CD1 4.05Å; V440-I459 HydrophobicContact CB-CD1 4.45Å; V440-I459 HydrophobicContact CG1-CD1 4.25Å; V440-I459 HydrophobicContact CG2-CD1 3.33Å; V440-V497 HydrophobicContact CG1-CG2 3.7Å; V440-I498 CarbonylContact C-O 3.58Å; V440-I498 WeakPolarHBondContact CA-O 3.28Å
441I98.9Very high97.7Very high0 Ų036.9 Ų36.90%019%0.187CC..EExtended strand (participates in β ladder)trans-124.4125.1172.8-47.1164.1000106.8F54 V56 C317 V319 R335 L439 V497 I498F54-I441 HydrophobicContact CB-CD1 3.48Å; F54-I441 VanDerWaalsContact CB-CD1 3.48Å; F54-I441 HydrophobicContact CG-CD1 4.49Å; V56-I441 HydrophobicContact CB-CG2 4.04Å; V56-I441 HydrophobicContact CG2-CB 4.2Å; V56-I441 HydrophobicContact CG2-CG2 3.71Å; C317-I441 HydrophobicContact CB-CG2 4.11Å; V319-I441 HydrophobicContact CB-CD1 3.73Å; V319-I441 HydrophobicContact CG2-CD1 3.37Å; V319-I441 HydrophobicContact CG2-CG1 3.77Å; R335-I441 WeakPolarHBondContact O-CA 3.21Å; L439-I441 HydrophobicContact CD2-CG1 4.43Å; I441-V497 CarbonylContact O-C 3.46Å; I441-V497 WeakPolarHBondContact O-CA 3.38Å; I441-I498 HydrophobicContact CB-CB 4.34Å; I441-I498 HydrophobicContact CD1-CD1 4.43Å; I441-I498 PolarHBondContact N-O 2.94Å; I441-I498 PolarHBondContact O-N 3.47Å
442A98.8Very high97.7Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-149.5161.917800000112.7S334 R335 I446 W447 T496 V497S334-A442 WeakPolarHBondContact CA-O 3.48Å; S334-A442 WeakPolarHBondContact CB-O 3.27Å; R335-A442 PolarHBondContact N-O 3.15Å; R335-A442 PolarHBondContact O-N 3.49Å; A442-I446 HydrophobicContact CB-CB 3.9Å; A442-I446 HydrophobicContact CB-CG1 3.84Å; A442-I446 HydrophobicContact CB-CG2 4.3Å; A442-W447 VanDerWaalsContact C-NE1 3.31Å; A442-W447 HydrophobicContact CB-CZ2 3.73Å; A442-W447 PolarHBondContact O-NE1 3.24Å; A442-T496 WeakPolarHBondContact CA-O 3.08Å; A442-T496 VanDerWaalsContact CB-O 3.25Å; A442-T496 WeakPolarHBondContact CB-O 3.45Å; A442-V497 HydrophobicContact CB-CB 3.88Å; A442-V497 HydrophobicContact CB-CG2 3.94Å
443C98.4Very high97.8Very high0 Ų033 Ų330%017%0.17CC..  trans-77.4171.6168.9660000111.7D38 V56 D58 S334 G445 I446 T496D38-C443 PolarHBondContact OD2-SG 3.45Å; V56-C443 HydrophobicContact CG1-CB 4.02Å; D58-C443 HydrophobicContact CB-CB 3.98Å; D58-C443 WeakPolarHBondContact OD2-CB 3.41Å; S334-C443 WeakPolarHBondContact OG-CA 3.06Å; C443-G445 PolarHBondContact O-N 2.86Å; C443-I446 PolarHBondContact O-N 3.4Å; C443-I446 VanDerWaalsContact O-N 3.16Å; C443-T496 PolarHBondContact N-O 3.26Å; C443-T496 VanDerWaalsContact N-O 3.11Å; C443-T496 PolarHBondContact SG-N 3.19Å
444D97.3Very high97.8Very high13 Ų1332.9 Ų32.97%0.0717%0.17CC..Hα-helixtrans-66.9-20.8-175.584.6-23.5000112.7I446 W447 N448D444-I446 CarbonylContact O-C 3.54Å; D444-I446 PolarHBondContact O-N 2.77Å; D444-W447 PolarHBondContact O-N 3.41Å; D444-N448 VanDerWaalsContact CG-ND2 3.27Å; D444-N448 WeakPolarHBondContact O-CB 2.92Å; D444-N448 PolarHBondContact O-N 2.91Å; D444-N448 PolarHBondContact O-ND2 2.89Å; D444-N448 PolarHBondContact OD2-ND2 2.91Å
445G97.3Very high98Very high2 Ų224.3 Ų24.32%0.02113%0.132CC..Hα-helixtrans-54.9-26.4172.100000113.8C443 S449 N494C443-G445 PolarHBondContact O-N 2.86Å; G445-S449 PolarHBondContact O-OG 3.04Å; G445-N494 WeakPolarHBondContact CA-O 3.43Å
446I98.5Very high98.1Very high0 Ų023.6 Ų23.60%013%0.125CC..Hα-helixtrans-86.3-51.5169.9-58.4-59.1000111A442 C443 D444 N448 S449 M450 V455 L476 C480 M495 V497A442-I446 HydrophobicContact CB-CB 3.9Å; A442-I446 HydrophobicContact CB-CG1 3.84Å; A442-I446 HydrophobicContact CB-CG2 4.3Å; C443-I446 PolarHBondContact O-N 3.4Å; C443-I446 VanDerWaalsContact O-N 3.16Å; D444-I446 CarbonylContact O-C 3.54Å; D444-I446 PolarHBondContact O-N 2.77Å; I446-N448 VanDerWaalsContact C-N 3.33Å; I446-N448 PolarHBondContact O-N 2.71Å; I446-S449 WeakPolarHBondContact O-CB 3.44Å; I446-S449 PolarHBondContact O-N 3.1Å; I446-M450 PolarHBondContact O-N 3.02Å; I446-V455 HydrophobicContact CG2-CG2 4.19Å; I446-L476 HydrophobicContact CG2-CD2 4.24Å; I446-L476 HydrophobicContact CG2-CG 4.41Å; I446-C480 HydrophobicContact CD1-CB 4.09Å; I446-M495 HydrophobicContact CD1-CB 4Å; I446-M495 HydrophobicContact CD1-CG 3.9Å; I446-M495 HydrophobicContact CD1-SD 4.15Å; I446-V497 HydrophobicContact CG1-CB 4.32Å
447W98.1Very high98.2Very high15 Ų1527.6 Ų27.66%0.05715%0.146CC..Hα-helixtrans-72.2-22-170.3-53.2119.6000114.7R335 V337 V440 A442 D444 V455R335-W447 HydrophobicContact CB-CD2 4.13Å; R335-W447 HydrophobicContact CB-CG 4.11Å; R335-W447 HydrophobicContact CB-CZ2 4.27Å; R335-W447 WeakPolarHBondContact O-CZ2 2.86Å; R335-W447 PolarHBondContact O-NE1 3.09Å; V337-W447 HydrophobicContact CB-CH2 4.14Å; V337-W447 HydrophobicContact CG2-CH2 3.54Å; V337-W447 HydrophobicContact CG2-CZ2 4.07Å; V337-W447 HydrophobicContact CG2-CZ3 3.89Å; V440-W447 HydrophobicContact CB-CH2 4.25Å; V440-W447 HydrophobicContact CG1-CH2 3.95Å; V440-W447 HydrophobicContact CG1-CZ2 4.2Å; A442-W447 VanDerWaalsContact C-NE1 3.31Å; A442-W447 HydrophobicContact CB-CZ2 3.73Å; A442-W447 PolarHBondContact O-NE1 3.24Å; D444-W447 PolarHBondContact O-N 3.41Å; W447-V455 HydrophobicContact CE3-CG2 4.1Å; W447-V455 HydrophobicContact CH2-CB 4.45Å; W447-V455 HydrophobicContact CH2-CG1 4.12Å; W447-V455 HydrophobicContact CH2-CG2 4.49Å; W447-V455 HydrophobicContact CZ3-CB 3.85Å; W447-V455 HydrophobicContact CZ3-CG1 4.01Å; W447-V455 HydrophobicContact CZ3-CG2 3.64Å
448N95.9Very high98.2Very high80 Ų8024.7 Ų24.743%0.42813%0.132SC..THydrogen-bonded Turntrans-71.3-24.2170.2-69.3-25.5000111.4D444 I446 T490D444-N448 VanDerWaalsContact CG-ND2 3.27Å; D444-N448 WeakPolarHBondContact O-CB 2.92Å; D444-N448 PolarHBondContact O-N 2.91Å; D444-N448 PolarHBondContact O-ND2 2.89Å; D444-N448 PolarHBondContact OD2-ND2 2.91Å; I446-N448 VanDerWaalsContact C-N 3.33Å; I446-N448 PolarHBondContact O-N 2.71Å; N448-T490 WeakPolarHBondContact O-CG2 3.46Å
449S96.6Very high98.2Very high36 Ų3624.5 Ų24.525%0.25213%0.131SC..THydrogen-bonded Turntrans-95.9-32.6-177.1-54.90000113.2G445 I446 C480G445-S449 PolarHBondContact O-OG 3.04Å; I446-S449 WeakPolarHBondContact O-CB 3.44Å; I446-S449 PolarHBondContact O-N 3.1Å; S449-C480 PolarHBondContact OG-O 3.14Å
450M97.9Very high98.2Very high30 Ų3024.9 Ų24.915%0.14813%0.134CC..SBendtrans-140137.9-177.2-66.1-179.867.600110.9I446 E454 V455 F458 L476I446-M450 PolarHBondContact O-N 3.02Å; M450-E454 HydrophobicContact CB-CB 4.23Å; M450-E454 HydrophobicContact CE-CB 3.77Å; M450-E454 WeakPolarHBondContact CE-O 3.4Å; M450-V455 HydrophobicContact CB-CG2 3.66Å; M450-V455 HydrophobicContact CE-CG2 4.43Å; M450-F458 HydrophobicContact CE-CB 3.98Å; M450-F458 HydrophobicContact CE-CD2 4.19Å; M450-F458 HydrophobicContact CE-CG 4.35Å; M450-L476 HydrophobicContact CE-CD1 4.37Å; M450-L476 HydrophobicContact SD-CD1 3.66Å
451S98.4Very high98.2Very high55 Ų5529.7 Ų29.739%0.38516%0.157SC..  trans-67.1161.7172.466.20000112.1Q453 E454 V455S451-Q453 VanDerWaalsContact C-N 3.27Å; S451-Q453 PolarHBondContact O-N 3.12Å; S451-E454 VanDerWaalsContact CB-OE2 3.29Å; S451-E454 WeakPolarHBondContact CB-OE2 3.28Å; S451-E454 PolarHBondContact N-OE2 3.25Å; S451-E454 PolarHBondContact O-N 3.02Å; S451-E454 VanDerWaalsContact O-N 3.1Å; S451-E454 VanDerWaalsContact OG-CD 3.3Å; S451-E454 VanDerWaalsContact OG-CG 3.27Å; S451-E454 WeakPolarHBondContact OG-CG 3.48Å; S451-E454 PolarHBondContact OG-N 3.5Å; S451-E454 PolarHBondContact OG-OE2 3.15Å; S451-V455 PolarHBondContact O-N 3.17Å
452S98.6Very high98.2Very high11 Ų1131.8 Ų31.88%0.07717%0.165CC..Hα-helixtrans-52-44.6177.4-57.80000112.3R335 D346 V455 I456R335-S452 PolarHBondContact NH1-OG 2.79Å; D346-S452 WeakPolarHBondContact OD1-CB 3.23Å; D346-S452 PolarHBondContact OD1-OG 3.47Å; S452-V455 PolarHBondContact O-N 3.41Å; S452-I456 WeakPolarHBondContact O-CG1 3.4Å; S452-I456 PolarHBondContact O-N 3.07Å; S452-I456 VanDerWaalsContact O-N 3.1Å
453Q98.7Very high98Very high60 Ų6034.2 Ų34.228%0.2819%0.185SC..Hα-helixtrans-68.7-39.8178.9-172.261.853.700112.6G342 A344 S451 V455 I456 D457G342-Q453 PolarHBondContact O-NE2 3.28Å; A344-Q453 HydrophobicContact CB-CB 4.25Å; S451-Q453 VanDerWaalsContact C-N 3.27Å; S451-Q453 PolarHBondContact O-N 3.12Å; Q453-V455 VanDerWaalsContact C-N 3.3Å; Q453-V455 PolarHBondContact O-N 3.4Å; Q453-I456 PolarHBondContact O-N 3.2Å; Q453-D457 PolarHBondContact NE2-OD1 3.33Å; Q453-D457 WeakPolarHBondContact O-CB 3.5Å; Q453-D457 VanDerWaalsContact O-CG 3.26Å; Q453-D457 PolarHBondContact O-N 3.4Å
454E98.7Very high97.9Very high103 Ų10342.6 Ų42.648%0.48122%0.221SC..Hα-helixtrans-63.1-38.3177.5-73166.6132.500111.8M450 S451 D457 F458M450-E454 HydrophobicContact CB-CB 4.23Å; M450-E454 HydrophobicContact CE-CB 3.77Å; M450-E454 WeakPolarHBondContact CE-O 3.4Å; S451-E454 VanDerWaalsContact CB-OE2 3.29Å; S451-E454 WeakPolarHBondContact CB-OE2 3.28Å; S451-E454 PolarHBondContact N-OE2 3.25Å; S451-E454 PolarHBondContact O-N 3.02Å; S451-E454 VanDerWaalsContact O-N 3.1Å; S451-E454 VanDerWaalsContact OG-CD 3.3Å; S451-E454 VanDerWaalsContact OG-CG 3.27Å; S451-E454 WeakPolarHBondContact OG-CG 3.48Å; S451-E454 PolarHBondContact OG-N 3.5Å; S451-E454 PolarHBondContact OG-OE2 3.15Å; E454-D457 PolarHBondContact O-N 3.39Å; E454-F458 VanDerWaalsContact O-CB 3.25Å; E454-F458 WeakPolarHBondContact O-CB 3.29Å; E454-F458 PolarHBondContact O-N 3.04Å
455V98.8Very high97.9Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-65.5-44.8174.7173.50000111.1V440 I446 W447 M450 S451 S452 Q453 D457 F458 I459 L476V440-V455 HydrophobicContact CG1-CG1 4.17Å; V440-V455 HydrophobicContact CG2-CG1 4.4Å; I446-V455 HydrophobicContact CG2-CG2 4.19Å; W447-V455 HydrophobicContact CE3-CG2 4.1Å; W447-V455 HydrophobicContact CH2-CB 4.45Å; W447-V455 HydrophobicContact CH2-CG1 4.12Å; W447-V455 HydrophobicContact CH2-CG2 4.49Å; W447-V455 HydrophobicContact CZ3-CB 3.85Å; W447-V455 HydrophobicContact CZ3-CG1 4.01Å; W447-V455 HydrophobicContact CZ3-CG2 3.64Å; M450-V455 HydrophobicContact CB-CG2 3.66Å; M450-V455 HydrophobicContact CE-CG2 4.43Å; S451-V455 PolarHBondContact O-N 3.17Å; S452-V455 PolarHBondContact O-N 3.41Å; Q453-V455 VanDerWaalsContact C-N 3.3Å; Q453-V455 PolarHBondContact O-N 3.4Å; V455-D457 PolarHBondContact O-N 2.94Å; V455-F458 PolarHBondContact O-N 3.42Å; V455-I459 HydrophobicContact CG1-CD1 3.73Å; V455-I459 HydrophobicContact CG1-CG1 4.49Å; V455-I459 WeakPolarHBondContact O-CG1 3.46Å; V455-I459 PolarHBondContact O-N 2.68Å; V455-L476 HydrophobicContact CG1-CD2 3.91Å; V455-L476 HydrophobicContact CG2-CD1 4.42Å
456I98.7Very high97.9Very high0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-61.2-44.4176-67.5-43.2000111.4V337 C339 A344 F438 V440 S452 Q453 I459 S460V337-I456 HydrophobicContact CG1-CD1 4Å; V337-I456 HydrophobicContact CG1-CG1 4.01Å; C339-I456 HydrophobicContact CB-CD1 3.94Å; C339-I456 HydrophobicContact CB-CG1 4.45Å; C339-I456 HydrophobicContact CB-CG2 3.91Å; C339-I456 WeakPolarHBondContact SG-CG2 3.42Å; A344-I456 HydrophobicContact CB-CB 4.25Å; A344-I456 HydrophobicContact CB-CG1 3.59Å; F438-I456 HydrophobicContact CD2-CD1 4.4Å; F438-I456 HydrophobicContact CE2-CD1 3.49Å; F438-I456 VanDerWaalsContact CE2-CD1 3.49Å; F438-I456 HydrophobicContact CZ-CD1 3.97Å; F438-I456 HydrophobicContact CZ-CG2 4.1Å; V440-I456 HydrophobicContact CG2-CD1 4.05Å; S452-I456 WeakPolarHBondContact O-CG1 3.4Å; S452-I456 PolarHBondContact O-N 3.07Å; S452-I456 VanDerWaalsContact O-N 3.1Å; Q453-I456 PolarHBondContact O-N 3.2Å; I456-I459 PolarHBondContact O-N 2.84Å; I456-S460 WeakPolarHBondContact O-CB 3.49Å; I456-S460 PolarHBondContact O-N 2.92Å; I456-S460 PolarHBondContact O-OG 3.38Å
457D98.7Very high97.9Very high83 Ų8352.9 Ų52.944%0.44428%0.284SS..Hα-helixtrans-63.3-43.1178-71.5-17.9000111.2Q453 E454 V455 S460 Q461Q453-D457 PolarHBondContact NE2-OD1 3.33Å; Q453-D457 WeakPolarHBondContact O-CB 3.5Å; Q453-D457 VanDerWaalsContact O-CG 3.26Å; Q453-D457 PolarHBondContact O-N 3.4Å; E454-D457 PolarHBondContact O-N 3.39Å; V455-D457 PolarHBondContact O-N 2.94Å; D457-S460 PolarHBondContact O-N 2.85Å; D457-Q461 WeakPolarHBondContact O-CB 3.39Å; D457-Q461 PolarHBondContact O-N 3.47Å
458F98.7Very high97.9Very high21 Ų2156.3 Ų56.39%0.09230%0.3CS..Hα-helixtrans-58.4-52.8176.8-176.7-81.8000111.4M450 E454 V455 Q461 R462 E475 L476 A479M450-F458 HydrophobicContact CE-CB 3.98Å; M450-F458 HydrophobicContact CE-CD2 4.19Å; M450-F458 HydrophobicContact CE-CG 4.35Å; E454-F458 VanDerWaalsContact O-CB 3.25Å; E454-F458 WeakPolarHBondContact O-CB 3.29Å; E454-F458 PolarHBondContact O-N 3.04Å; V455-F458 PolarHBondContact O-N 3.42Å; F458-Q461 PolarHBondContact O-N 3.05Å; F458-R462 VanDerWaalsContact CD2-CZ 3.49Å; F458-R462 VanDerWaalsContact CE1-NE 3.32Å; F458-R462 VanDerWaalsContact CZ-CZ 3.43Å; F458-R462 WeakPolarHBondContact O-CD 3.46Å; F458-R462 PolarHBondContact O-N 2.88Å; F458-E475 HydrophobicContact CE1-CB 4.18Å; F458-E475 HydrophobicContact CZ-CB 3.94Å; F458-L476 HydrophobicContact CD1-CB 4.27Å; F458-L476 HydrophobicContact CD1-CD1 3.98Å; F458-L476 HydrophobicContact CE1-CB 3.8Å; F458-L476 HydrophobicContact CE1-CD1 4.17Å; F458-L476 HydrophobicContact CG-CD1 4.25Å; F458-L476 HydrophobicContact CZ-CB 4.39Å; F458-A479 HydrophobicContact CE2-CB 3.72Å; F458-A479 HydrophobicContact CZ-CB 4.06Å
459I98.6Very high98Very high2 Ų253.4 Ų53.41%0.0128%0.284CS..Hα-helixtrans-64.5-46.6-178.9-67.6166.7000110.3F438 V440 V455 I456 Q461 R462 A463 I472 L476 V499F438-I459 HydrophobicContact CD1-CG2 4.29Å; F438-I459 HydrophobicContact CD2-CG2 3.85Å; F438-I459 HydrophobicContact CE1-CG2 3.89Å; F438-I459 HydrophobicContact CE2-CB 3.72Å; F438-I459 HydrophobicContact CE2-CD1 3.88Å; F438-I459 HydrophobicContact CE2-CG1 4.43Å; F438-I459 HydrophobicContact CE2-CG2 3.38Å; F438-I459 HydrophobicContact CG-CG2 4.28Å; F438-I459 HydrophobicContact CZ-CB 3.69Å; F438-I459 HydrophobicContact CZ-CG2 3.42Å; F438-I459 VanDerWaalsContact CZ-CG2 3.42Å; V440-I459 HydrophobicContact CB-CD1 4.45Å; V440-I459 HydrophobicContact CG1-CD1 4.25Å; V440-I459 HydrophobicContact CG2-CD1 3.33Å; V455-I459 HydrophobicContact CG1-CD1 3.73Å; V455-I459 HydrophobicContact CG1-CG1 4.49Å; V455-I459 WeakPolarHBondContact O-CG1 3.46Å; V455-I459 PolarHBondContact O-N 2.68Å; I456-I459 PolarHBondContact O-N 2.84Å; I459-Q461 PolarHBondContact O-N 3.12Å; I459-R462 PolarHBondContact O-N 2.85Å; I459-R462 VanDerWaalsContact O-N 3.13Å; I459-A463 WeakPolarHBondContact O-CB 3.41Å; I459-A463 PolarHBondContact O-N 3.25Å; I459-I472 HydrophobicContact CB-CG2 4.1Å; I459-I472 HydrophobicContact CG1-CG2 3.74Å; I459-I472 HydrophobicContact CG2-CG2 4.1Å; I459-L476 HydrophobicContact CD1-CD2 4.47Å; I459-V499 HydrophobicContact CD1-CG1 4.45Å; I459-V499 HydrophobicContact CD1-CG2 3.92Å; I459-V499 HydrophobicContact CG2-CG1 4.09Å
460S98.2Very high98.1Very high11 Ų1152.5 Ų52.58%0.07728%0.277CS..Hα-helixtrans-58.5-37.2179.4-620000112.1F438 I456 D457 K464F438-S460 WeakPolarHBondContact CE1-OG 3.2Å; I456-S460 WeakPolarHBondContact O-CB 3.49Å; I456-S460 PolarHBondContact O-N 2.92Å; I456-S460 PolarHBondContact O-OG 3.38Å; D457-S460 PolarHBondContact O-N 2.85Å; S460-K464 WeakPolarHBondContact O-CD 3.25Å; S460-K464 VanDerWaalsContact O-CG 3.27Å; S460-K464 WeakPolarHBondContact O-CG 3.42Å; S460-K464 PolarHBondContact O-N 3.4Å
461Q98.1Very high98.1Very high102 Ų10255.1 Ų55.148%0.47729%0.292SS..Hα-helixtrans-64.4-50.1175-175.4-174.8-1.700111.6D457 F458 I459 A463 K464 E465D457-Q461 WeakPolarHBondContact O-CB 3.39Å; D457-Q461 PolarHBondContact O-N 3.47Å; F458-Q461 PolarHBondContact O-N 3.05Å; I459-Q461 PolarHBondContact O-N 3.12Å; Q461-A463 VanDerWaalsContact C-N 3.34Å; Q461-A463 PolarHBondContact O-N 3.33Å; Q461-K464 WeakPolarHBondContact O-CB 3.43Å; Q461-K464 PolarHBondContact O-N 3.22Å; Q461-E465 WeakPolarHBondContact O-CG 3.37Å; Q461-E465 PolarHBondContact O-N 3.18Å
462R98.4Very high98.1Very high44 Ų4452.7 Ų52.717%0.16627%0.274CS..Hα-helixtrans-68.8-33.1-179.3-77.785.6-177.2134.11.9112.6F458 I459 K464 E465 G466 K467 I472 E475F458-R462 VanDerWaalsContact CD2-CZ 3.49Å; F458-R462 VanDerWaalsContact CE1-NE 3.32Å; F458-R462 VanDerWaalsContact CZ-CZ 3.43Å; F458-R462 WeakPolarHBondContact O-CD 3.46Å; F458-R462 PolarHBondContact O-N 2.88Å; I459-R462 PolarHBondContact O-N 2.85Å; I459-R462 VanDerWaalsContact O-N 3.13Å; R462-K464 VanDerWaalsContact C-N 3.31Å; R462-K464 PolarHBondContact O-N 3.33Å; R462-E465 CarbonylContact O-C 3.59Å; R462-E465 WeakPolarHBondContact O-CA 3.38Å; R462-E465 WeakPolarHBondContact O-CB 3.47Å; R462-E465 PolarHBondContact O-N 3.09Å; R462-E465 VanDerWaalsContact O-N 3.1Å; R462-G466 PolarHBondContact O-N 3.43Å; R462-K467 HydrophobicContact CB-CB 4.38Å; R462-K467 HydrophobicContact CB-CD 4Å; R462-K467 HydrophobicContact CB-CG 4.39Å; R462-K467 HydrophobicContact CG-CD 3.86Å; R462-K467 PolarHBondContact O-N 3.27Å; R462-I472 HydrophobicContact CB-CB 4.42Å; R462-I472 HydrophobicContact CB-CD1 3.8Å; R462-I472 HydrophobicContact CB-CG1 3.61Å; R462-I472 HydrophobicContact CB-CG2 4.14Å; R462-I472 HydrophobicContact CG-CG1 4.43Å; R462-E475 WeakPolarHBondContact CG-OE2 2.93Å; R462-E475 IonicContact NE-OE2 2.72Å; R462-E475 PolarHBondContact NE-OE2 2.89Å
463A96.5Very high98.1Very high51 Ų5152.2 Ų52.242%0.42127%0.271SS..Hα-helixtrans-62.5-39.5174.300000111.2I459 Q461 E465 G466 I472I459-A463 WeakPolarHBondContact O-CB 3.41Å; I459-A463 PolarHBondContact O-N 3.25Å; Q461-A463 VanDerWaalsContact C-N 3.34Å; Q461-A463 PolarHBondContact O-N 3.33Å; A463-E465 VanDerWaalsContact C-N 3.26Å; A463-E465 PolarHBondContact O-N 3.34Å; A463-G466 PolarHBondContact O-N 3.48Å; A463-I472 HydrophobicContact CB-CD1 4.2Å
464K96.4Very high98.1Very high176 Ų17650.2 Ų50.277%0.76526%0.264SS*.Hα-helixtrans-65.4-27.6172.9-72166.5-173.8168.30113.1S460 Q461 R462 G466S460-K464 WeakPolarHBondContact O-CD 3.25Å; S460-K464 VanDerWaalsContact O-CG 3.27Å; S460-K464 WeakPolarHBondContact O-CG 3.42Å; S460-K464 PolarHBondContact O-N 3.4Å; Q461-K464 WeakPolarHBondContact O-CB 3.43Å; Q461-K464 PolarHBondContact O-N 3.22Å; R462-K464 VanDerWaalsContact C-N 3.31Å; R462-K464 PolarHBondContact O-N 3.33Å; K464-G466 PolarHBondContact O-N 2.97Å
465E97.1Very high98.1Very high110 Ų11048.1 Ų48.151%0.51426%0.255SS..THydrogen-bonded Turntrans-77.4-7.2172.8-65.1169.4-170.400112.8Q461 R462 A463 K467Q461-E465 WeakPolarHBondContact O-CG 3.37Å; Q461-E465 PolarHBondContact O-N 3.18Å; R462-E465 CarbonylContact O-C 3.59Å; R462-E465 WeakPolarHBondContact O-CA 3.38Å; R462-E465 WeakPolarHBondContact O-CB 3.47Å; R462-E465 PolarHBondContact O-N 3.09Å; R462-E465 VanDerWaalsContact O-N 3.1Å; A463-E465 VanDerWaalsContact C-N 3.26Å; A463-E465 PolarHBondContact O-N 3.34Å; E465-K467 WeakPolarHBondContact OE2-CE 3.29Å; E465-K467 IonicContact OE2-NZ 2.86Å; E465-K467 PolarHBondContact OE2-NZ 3.34Å
466G96.5Very high98.1Very high60 Ų6048.1 Ų48.162%0.61926%0.255SS*.THydrogen-bonded Turntrans80.822.8177.700000114.5R462 A463 K464R462-G466 PolarHBondContact O-N 3.43Å; A463-G466 PolarHBondContact O-N 3.48Å; K464-G466 PolarHBondContact O-N 2.97Å
467K97.8Very high98.1Very high61 Ų6148.1 Ų48.127%0.26526%0.255SS..  trans-74.6145.8172.9-58-168.9-166.6175.50110.6R462 E465 D471 I472 E475R462-K467 HydrophobicContact CB-CB 4.38Å; R462-K467 HydrophobicContact CB-CD 4Å; R462-K467 HydrophobicContact CB-CG 4.39Å; R462-K467 HydrophobicContact CG-CD 3.86Å; R462-K467 PolarHBondContact O-N 3.27Å; E465-K467 WeakPolarHBondContact OE2-CE 3.29Å; E465-K467 IonicContact OE2-NZ 2.86Å; E465-K467 PolarHBondContact OE2-NZ 3.34Å; K467-D471 HydrophobicContact CB-CB 4.42Å; K467-I472 HydrophobicContact CB-CD1 4.28Å; K467-I472 HydrophobicContact CB-CG1 3.79Å; K467-E475 IonicContact NZ-OE1 3.08Å; K467-E475 PolarHBondContact NZ-OE1 2.98Å; K467-E475 IonicContact NZ-OE2 3.25Å; K467-E475 PolarHBondContact NZ-OE2 3.31Å
468E97.8Very high98Very high87 Ų8748.1 Ų48.141%0.40726%0.255SS..  trans-76.9156.6173.5-62.7-68.8135.900110.3K23 V470 D471 I472K23-E468 IonicContact NZ-OE1 2.61Å; K23-E468 IonicContact NZ-OE2 3.44Å; K23-E468 PolarHBondContact NZ-OE2 2.72Å; E468-V470 PolarHBondContact O-N 3.01Å; E468-V470 VanDerWaalsContact O-N 3.1Å; E468-D471 PolarHBondContact O-N 3.09Å; E468-I472 WeakPolarHBondContact O-CG1 3.38Å; E468-I472 PolarHBondContact O-N 3.18Å; E468-I472 VanDerWaalsContact O-N 3.14Å
469E98.5Very high98Very high18 Ų1849.9 Ų49.98%0.08427%0.273CS..Hα-helixtrans-55.3-35.8-171.6-68.579-17600113.2G25 I472 A473 V499 T501G25-E469 VanDerWaalsContact N-CB 3.31Å; E469-I472 PolarHBondContact O-N 3.2Å; E469-A473 WeakPolarHBondContact O-CB 3.45Å; E469-A473 PolarHBondContact O-N 3.04Å; E469-V499 HydrophobicContact CB-CB 4.29Å; E469-V499 HydrophobicContact CB-CG1 4.36Å; E469-V499 HydrophobicContact CG-CG1 4.2Å; E469-T501 VanDerWaalsContact CG-OG1 3.26Å; E469-T501 WeakPolarHBondContact CG-OG1 3.33Å; E469-T501 WeakPolarHBondContact OE1-CB 3.43Å; E469-T501 PolarHBondContact OE1-OG1 3.4Å
470V98.5Very high98Very high17 Ų1750 Ų5010%0.10327%0.274CS..Hα-helixtrans-69.6-36.6-18070.10000112.7Q16 V27 E468 I472 A473 A474Q16-V470 HydrophobicContact CB-CB 4.15Å; Q16-V470 HydrophobicContact CB-CG1 4.41Å; V27-V470 HydrophobicContact CG2-CG2 4.07Å; E468-V470 PolarHBondContact O-N 3.01Å; E468-V470 VanDerWaalsContact O-N 3.1Å; V470-I472 VanDerWaalsContact C-N 3.35Å; V470-A473 PolarHBondContact O-N 3.18Å; V470-A474 WeakPolarHBondContact O-CB 3.42Å; V470-A474 PolarHBondContact O-N 3.47Å
471D98.5Very high97.9Very high86 Ų8651.2 Ų51.246%0.4628%0.28SS..Hα-helixtrans-70-39176.9-64.2-45.2000109.8K467 E468 A474 E475K467-D471 HydrophobicContact CB-CB 4.42Å; E468-D471 PolarHBondContact O-N 3.09Å; D471-A474 PolarHBondContact O-N 3Å; D471-E475 WeakPolarHBondContact O-CG 3.41Å; D471-E475 PolarHBondContact O-N 3.41Å
472I98.6Very high97.8Very high4 Ų447.9 Ų47.92%0.02127%0.267CS..Hα-helixtrans-62.3-48175.2-57.9-179.4000110.5I459 R462 A463 K467 E468 E469 V470 A474 E475 L476I459-I472 HydrophobicContact CB-CG2 4.1Å; I459-I472 HydrophobicContact CG1-CG2 3.74Å; I459-I472 HydrophobicContact CG2-CG2 4.1Å; R462-I472 HydrophobicContact CB-CB 4.42Å; R462-I472 HydrophobicContact CB-CD1 3.8Å; R462-I472 HydrophobicContact CB-CG1 3.61Å; R462-I472 HydrophobicContact CB-CG2 4.14Å; R462-I472 HydrophobicContact CG-CG1 4.43Å; A463-I472 HydrophobicContact CB-CD1 4.2Å; K467-I472 HydrophobicContact CB-CD1 4.28Å; K467-I472 HydrophobicContact CB-CG1 3.79Å; E468-I472 WeakPolarHBondContact O-CG1 3.38Å; E468-I472 PolarHBondContact O-N 3.18Å; E468-I472 VanDerWaalsContact O-N 3.14Å; E469-I472 PolarHBondContact O-N 3.2Å; V470-I472 VanDerWaalsContact C-N 3.35Å; I472-A474 VanDerWaalsContact C-N 3.33Å; I472-A474 PolarHBondContact O-N 3.05Å; I472-E475 PolarHBondContact O-N 2.87Å; I472-L476 WeakPolarHBondContact O-CB 3.26Å; I472-L476 PolarHBondContact O-N 2.85Å
473A98.7Very high97.6Very high0 Ų051.3 Ų51.30%030%0.298CS..Hα-helixtrans-58.3-43.617600000111.8V27 E469 V470 E475 L476 C477 V497 V499V27-A473 HydrophobicContact CB-CB 4.04Å; V27-A473 HydrophobicContact CG2-CB 3.62Å; E469-A473 WeakPolarHBondContact O-CB 3.45Å; E469-A473 PolarHBondContact O-N 3.04Å; V470-A473 PolarHBondContact O-N 3.18Å; A473-E475 PolarHBondContact O-N 3.39Å; A473-L476 WeakPolarHBondContact O-CB 3.43Å; A473-L476 PolarHBondContact O-N 2.89Å; A473-C477 PolarHBondContact O-N 2.78Å; A473-C477 PolarHBondContact O-SG 3.08Å; A473-V497 HydrophobicContact CB-CG1 3.92Å; A473-V499 HydrophobicContact CB-CG2 4.27Å
474A98.6Very high97.4Very high18 Ų1851.5 Ų51.515%0.14929%0.294CS..Hα-helixtrans-64.5-40.4177.600000112.8K12 V27 V470 D471 I472 L476 N478K12-A474 HydrophobicContact CD-CB 3.79Å; K12-A474 WeakPolarHBondContact CE-O 3.41Å; V27-A474 HydrophobicContact CG2-CB 4.14Å; V470-A474 WeakPolarHBondContact O-CB 3.42Å; V470-A474 PolarHBondContact O-N 3.47Å; D471-A474 PolarHBondContact O-N 3Å; I472-A474 VanDerWaalsContact C-N 3.33Å; I472-A474 PolarHBondContact O-N 3.05Å; A474-L476 VanDerWaalsContact C-N 3.35Å; A474-N478 PolarHBondContact O-N 3.42Å; A474-N478 PolarHBondContact O-ND2 3.33Å
475E98.6Very high97.1Very high60 Ų6045.3 Ų45.328%0.2827%0.271SS..Hα-helixtrans-67.1-36174.3-75.8-175.8-168.800112.4F458 R462 K467 D471 I472 A473 N478 A479F458-E475 HydrophobicContact CE1-CB 4.18Å; F458-E475 HydrophobicContact CZ-CB 3.94Å; R462-E475 WeakPolarHBondContact CG-OE2 2.93Å; R462-E475 IonicContact NE-OE2 2.72Å; R462-E475 PolarHBondContact NE-OE2 2.89Å; K467-E475 IonicContact NZ-OE1 3.08Å; K467-E475 PolarHBondContact NZ-OE1 2.98Å; K467-E475 IonicContact NZ-OE2 3.25Å; K467-E475 PolarHBondContact NZ-OE2 3.31Å; D471-E475 WeakPolarHBondContact O-CG 3.41Å; D471-E475 PolarHBondContact O-N 3.41Å; I472-E475 PolarHBondContact O-N 2.87Å; A473-E475 PolarHBondContact O-N 3.39Å; E475-N478 PolarHBondContact O-N 2.85Å; E475-A479 WeakPolarHBondContact O-CB 3.28Å; E475-A479 PolarHBondContact O-N 3.27Å
476L98.6Very high96.7Very high0 Ų044.9 Ų44.90%028%0.28CS..Hα-helixtrans-64.1-47176.9-178.559.6000111.1I446 M450 V455 F458 I459 I472 A473 A474 N478 A479 C480 V497I446-L476 HydrophobicContact CG2-CD2 4.24Å; I446-L476 HydrophobicContact CG2-CG 4.41Å; M450-L476 HydrophobicContact CE-CD1 4.37Å; M450-L476 HydrophobicContact SD-CD1 3.66Å; V455-L476 HydrophobicContact CG1-CD2 3.91Å; V455-L476 HydrophobicContact CG2-CD1 4.42Å; F458-L476 HydrophobicContact CD1-CB 4.27Å; F458-L476 HydrophobicContact CD1-CD1 3.98Å; F458-L476 HydrophobicContact CE1-CB 3.8Å; F458-L476 HydrophobicContact CE1-CD1 4.17Å; F458-L476 HydrophobicContact CG-CD1 4.25Å; F458-L476 HydrophobicContact CZ-CB 4.39Å; I459-L476 HydrophobicContact CD1-CD2 4.47Å; I472-L476 WeakPolarHBondContact O-CB 3.26Å; I472-L476 PolarHBondContact O-N 2.85Å; A473-L476 WeakPolarHBondContact O-CB 3.43Å; A473-L476 PolarHBondContact O-N 2.89Å; A474-L476 VanDerWaalsContact C-N 3.35Å; L476-N478 VanDerWaalsContact C-N 3.28Å; L476-N478 PolarHBondContact O-N 3.47Å; L476-A479 WeakPolarHBondContact O-CB 3.47Å; L476-A479 PolarHBondContact O-N 2.78Å; L476-C480 PolarHBondContact O-N 3.43Å; L476-C480 PolarHBondContact O-SG 3.38Å; L476-V497 HydrophobicContact CD2-CG2 4.02Å
477C98.5Very high96.2Very high0 Ų044.7 Ų44.70%028%0.278CS..Hα-helixtrans-55.7-42.4172.8-68.70000112.3M29 A473 A479 C480 L481M29-C477 HydrophobicContact CB-CB 4.49Å; M29-C477 HydrophobicContact CE-CB 3.87Å; M29-C477 WeakPolarHBondContact CE-O 3.46Å; M29-C477 HydrophobicContact SD-CB 4.33Å; A473-C477 PolarHBondContact O-N 2.78Å; A473-C477 PolarHBondContact O-SG 3.08Å; C477-A479 VanDerWaalsContact C-N 3.32Å; C477-A479 PolarHBondContact O-N 3.46Å; C477-C480 PolarHBondContact O-N 3.37Å; C477-L481 PolarHBondContact O-N 3.38Å; C477-L481 VanDerWaalsContact O-N 3.09Å
478N98Very high95.8Very high83 Ų8347.4 Ų47.444%0.44430%0.296SS..Hα-helixtrans-66.6-34.3177.1-68.7-30.4000112.6K12 A474 E475 L476K12-N478 VanDerWaalsContact CE-OD1 3.3Å; K12-N478 WeakPolarHBondContact CE-OD1 3.5Å; K12-N478 PolarHBondContact NZ-OD1 3.02Å; A474-N478 PolarHBondContact O-N 3.42Å; A474-N478 PolarHBondContact O-ND2 3.33Å; E475-N478 PolarHBondContact O-N 2.85Å; L476-N478 VanDerWaalsContact C-N 3.28Å; L476-N478 PolarHBondContact O-N 3.47Å
479A97.9Very high95.4Very high57 Ų5744 Ų4447%0.47128%0.284SS..Hα-helixtrans-71.4-33.3178.800000112.3F458 E475 L476 C477F458-A479 HydrophobicContact CE2-CB 3.72Å; F458-A479 HydrophobicContact CZ-CB 4.06Å; E475-A479 WeakPolarHBondContact O-CB 3.28Å; E475-A479 PolarHBondContact O-N 3.27Å; L476-A479 WeakPolarHBondContact O-CB 3.47Å; L476-A479 PolarHBondContact O-N 2.78Å; C477-A479 VanDerWaalsContact C-N 3.32Å; C477-A479 PolarHBondContact O-N 3.46Å
480C97.8Very high95.1Very high6 Ų645.7 Ų45.74%0.04130%0.296CS..Hα-helixtrans-81.7-20.4176.8-63.60000113.5I446 S449 L476 C477 S482 G491 M495I446-C480 HydrophobicContact CD1-CB 4.09Å; S449-C480 PolarHBondContact OG-O 3.14Å; L476-C480 PolarHBondContact O-N 3.43Å; L476-C480 PolarHBondContact O-SG 3.38Å; C477-C480 PolarHBondContact O-N 3.37Å; C480-S482 PolarHBondContact O-N 3.21Å; C480-G491 WeakPolarHBondContact O-CA 3.43Å; C480-M495 HydrophobicContact CB-SD 3.79Å
481L97.4Very high94.9Very high36 Ų3645.1 Ų45.119%0.18829%0.293CS..  trans-68122.6-178.8-178.167.5000111.8P8 T10 M29 C477 M495P8-L481 HydrophobicContact CB-CD1 4.01Å; P8-L481 HydrophobicContact CB-CD2 4.36Å; P8-L481 HydrophobicContact CG-CD2 4.26Å; T10-L481 HydrophobicContact CG2-CD2 3.62Å; M29-L481 HydrophobicContact CE-CB 3.96Å; M29-L481 HydrophobicContact CE-CD1 4.17Å; M29-L481 HydrophobicContact CE-CD2 4.09Å; M29-L481 HydrophobicContact CE-CG 4.29Å; C477-L481 PolarHBondContact O-N 3.38Å; C477-L481 VanDerWaalsContact O-N 3.09Å; L481-M495 HydrophobicContact CB-CE 4.01Å; L481-M495 HydrophobicContact CD1-CE 3.64Å; L481-M495 HydrophobicContact CG-CE 4.42Å
482S95.6Very high94.7Very high31 Ų3141.1 Ų41.122%0.21727%0.272CS..  trans-69.8146.1174.5-179.40000111.9W32 C480 T484 T490 G491W32-S482 PolarHBondContact NE1-O 3.29Å; C480-S482 PolarHBondContact O-N 3.21Å; S482-T484 VanDerWaalsContact C-N 3.28Å; S482-T484 PolarHBondContact O-N 3.39Å; S482-T484 PolarHBondContact OG-N 3.09Å; S482-T484 PolarHBondContact OG-O 3.27Å; S482-T490 VanDerWaalsContact CB-O 3.32Å; S482-T490 WeakPolarHBondContact CB-O 3.39Å; S482-G491 PolarHBondContact N-O 3.48Å
483S93.2Very high94.6Very high116 Ų11641.7 Ų41.781%0.81128%0.275SS*.SBendtrans-75-14.9172.6640000113.8
484T92.3Very high94.6Very high55 Ų5541.8 Ų41.834%0.33728%0.275SS..  trans-155.6153.1-176.51800000111.9S482 S486S482-T484 VanDerWaalsContact C-N 3.28Å; S482-T484 PolarHBondContact O-N 3.39Å; S482-T484 PolarHBondContact OG-N 3.09Å; S482-T484 PolarHBondContact OG-O 3.27Å; T484-S486 VanDerWaalsContact C-N 3.34Å; T484-S486 VanDerWaalsContact CG2-OG 3.23Å; T484-S486 WeakPolarHBondContact CG2-OG 3.4Å; T484-S486 PolarHBondContact OG1-N 3.09Å; T484-S486 PolarHBondContact OG1-OG 2.95Å
485T90.8Very high94.6Very high47 Ų4740.9 Ų40.929%0.28827%0.268SS..SBendtrans-894174.552.60000113.8Y4 W32 G487Y4-T485 HydrophobicContact CD1-CG2 4.16Å; Y4-T485 HydrophobicContact CD2-CG2 3.61Å; Y4-T485 HydrophobicContact CE2-CG2 4.22Å; Y4-T485 HydrophobicContact CG-CG2 3.57Å; W32-T485 HydrophobicContact CB-CG2 4.08Å; W32-T485 HydrophobicContact CD2-CG2 3.4Å; W32-T485 VanDerWaalsContact CD2-CG2 3.4Å; W32-T485 HydrophobicContact CE3-CG2 3.26Å; W32-T485 HydrophobicContact CG-CG2 3.81Å; W32-T485 HydrophobicContact CH2-CG2 4.32Å; W32-T485 HydrophobicContact CZ2-CG2 4.46Å; W32-T485 HydrophobicContact CZ3-CG2 3.75Å; T485-G487 PolarHBondContact O-N 3.46Å
486S89Confident94.6Very high100 Ų10038 Ų3870%0.69926%0.255SS*.SBendtrans-77.2-3.5-177.455.90000115T484T484-S486 VanDerWaalsContact C-N 3.34Å; T484-S486 VanDerWaalsContact CG2-OG 3.23Å; T484-S486 WeakPolarHBondContact CG2-OG 3.4Å; T484-S486 PolarHBondContact OG1-N 3.09Å; T484-S486 PolarHBondContact OG1-OG 2.95Å
487G86.4Confident94.6Very high56 Ų5638 Ų3858%0.57726%0.255SS*.SBendtrans-85.4-153.7-179.700000113.9T485 G489T485-G487 PolarHBondContact O-N 3.46Å; G487-G489 PolarHBondContact O-N 3.45Å
488D87.8Confident94.6Very high118 Ų11838 Ų3863%0.63126%0.255SS*.SBendtrans-83.19.1175.862.42.5000113.5M1 T490M1-D488 WeakPolarHBondContact CE-O 3.36Å; D488-T490 VanDerWaalsContact CG-OG1 3.3Å; D488-T490 WeakPolarHBondContact OD1-CB 3.35Å; D488-T490 PolarHBondContact OD1-N 3.49Å; D488-T490 PolarHBondContact OD1-OG1 3.48Å; D488-T490 PolarHBondContact OD2-OG1 3.47Å
489G89.1Confident94.6Very high16 Ų1634.1 Ų34.117%0.16523%0.234CC..SBendtrans90.1-5.4-176.400000114.6G487 G491 C492G487-G489 PolarHBondContact O-N 3.45Å; G489-G491 PolarHBondContact O-N 3.23Å; G489-C492 VanDerWaalsContact O-CB 3.28Å; G489-C492 WeakPolarHBondContact O-CB 3.2Å; G489-C492 PolarHBondContact O-N 3Å
490T92.8Very high94.7Very high54 Ų5431.5 Ų31.533%0.33121%0.212SC..THydrogen-bonded Turntrans-57.7130.6174.7-57.20000110.8N448 S482 D488 C492N448-T490 WeakPolarHBondContact O-CG2 3.46Å; S482-T490 VanDerWaalsContact CB-O 3.32Å; S482-T490 WeakPolarHBondContact CB-O 3.39Å; D488-T490 VanDerWaalsContact CG-OG1 3.3Å; D488-T490 WeakPolarHBondContact OD1-CB 3.35Å; D488-T490 PolarHBondContact OD1-N 3.49Å; D488-T490 PolarHBondContact OD1-OG1 3.48Å; D488-T490 PolarHBondContact OD2-OG1 3.47Å; T490-C492 PolarHBondContact O-N 3.29Å
491G94.2Very high94.7Very high4 Ų433.1 Ų33.14%0.04122%0.222CC..THydrogen-bonded Turntrans71.312.5-177.800000114.6C480 S482 G489C480-G491 WeakPolarHBondContact O-CA 3.43Å; S482-G491 PolarHBondContact N-O 3.48Å; G489-G491 PolarHBondContact O-N 3.23Å
492C95.7Very high94.7Very high2 Ų232 Ų321%0.01422%0.215CC..  trans-10513175.9-60.70000113.6Y4 W32 R33 G489 T490Y4-C492 HydrophobicContact CD1-CB 4.22Å; Y4-C492 HydrophobicContact CE1-CB 3.53Å; W32-C492 HydrophobicContact CB-CB 3.97Å; W32-C492 HydrophobicContact CG-CB 4.24Å; R33-C492 PolarHBondContact NE-O 3.11Å; G489-C492 VanDerWaalsContact O-CB 3.28Å; G489-C492 WeakPolarHBondContact O-CB 3.2Å; G489-C492 PolarHBondContact O-N 3Å; T490-C492 PolarHBondContact O-N 3.29Å
493D96.1Very high94.6Very high16 Ų1632.8 Ų32.89%0.08622%0.216CC..SBendtrans-94172.6-179.2-138.3-30.8000113.8R33R33-D493 IonicContact CZ-OD1 3.55Å; R33-D493 IonicContact CZ-OD2 3.52Å; R33-D493 IonicContact NE-OD1 3.45Å; R33-D493 PolarHBondContact NE-OD1 2.84Å; R33-D493 IonicContact NH1-OD1 3.63Å; R33-D493 PolarHBondContact NH1-OD1 3.43Å; R33-D493 IonicContact NH1-OD2 3.96Å; R33-D493 IonicContact NH2-OD1 2.67Å; R33-D493 PolarHBondContact NH2-OD1 2.86Å; R33-D493 IonicContact NH2-OD2 3.76Å; R33-D493 PolarHBondContact NH2-OD2 2.92Å
494N97.8Very high94.5Very high2 Ų230.3 Ų30.31%0.01119%0.189CC..  trans-60.1147.1154.6-65.5154.8000109.6Q30 S35 Q36 E37 G445Q30-N494 WeakPolarHBondContact O-CA 3.32Å; Q30-N494 PolarHBondContact O-ND2 3.26Å; S35-N494 PolarHBondContact O-ND2 3.43Å; S35-N494 PolarHBondContact O-OD1 3.49Å; Q36-N494 PolarHBondContact OE1-ND2 3.36Å; Q36-N494 PolarHBondContact OE1-OD1 2.81Å; Q36-N494 VanDerWaalsContact OE1-OD1 3.11Å; E37-N494 PolarHBondContact N-OD1 3.36Å; G445-N494 WeakPolarHBondContact CA-O 3.43Å
495M98.4Very high93.7Very high0 Ų035.8 Ų35.80%022%0.216CC..EExtended strand (participates in β ladder)trans-135.1118.5-178.1-76.8172.8-92.300109.9S28 M29 I446 C480 L481S28-M495 CarbonylContact C-O 3.45Å; S28-M495 VanDerWaalsContact CA-O 3.3Å; S28-M495 WeakPolarHBondContact CA-O 3.4Å; M29-M495 HydrophobicContact CE-CE 3.32Å; M29-M495 HydrophobicContact CE-SD 3.94Å; M29-M495 PolarHBondContact N-O 3.49Å; M29-M495 PolarHBondContact O-N 3.35Å; I446-M495 HydrophobicContact CD1-CB 4Å; I446-M495 HydrophobicContact CD1-CG 3.9Å; I446-M495 HydrophobicContact CD1-SD 4.15Å; C480-M495 HydrophobicContact CB-SD 3.79Å; L481-M495 HydrophobicContact CB-CE 4.01Å; L481-M495 HydrophobicContact CD1-CE 3.64Å; L481-M495 HydrophobicContact CG-CE 4.42Å
496T98.7Very high92Very high0 Ų039.8 Ų39.80%027%0.266CS..EExtended strand (participates in β ladder)trans-130.5129.6173.5-63.80000109.8V27 S28 D38 H40 V56 A442 C443V27-T496 VanDerWaalsContact O-CA 3.32Å; V27-T496 WeakPolarHBondContact O-CA 3.48Å; S28-T496 WeakPolarHBondContact CB-OG1 3.37Å; S28-T496 VanDerWaalsContact OG-CG2 3.23Å; S28-T496 WeakPolarHBondContact OG-CG2 3.17Å; S28-T496 PolarHBondContact OG-OG1 3.49Å; D38-T496 WeakPolarHBondContact CB-OG1 3.39Å; D38-T496 VanDerWaalsContact OD2-CB 3.24Å; D38-T496 WeakPolarHBondContact OD2-CB 3.48Å; D38-T496 PolarHBondContact OD2-N 3.27Å; D38-T496 PolarHBondContact OD2-OG1 3.47Å; H40-T496 HydrophobicContact CB-CG2 3.9Å; V56-T496 HydrophobicContact CG1-CG2 3.99Å; V56-T496 HydrophobicContact CG2-CG2 4.04Å; A442-T496 WeakPolarHBondContact CA-O 3.08Å; A442-T496 VanDerWaalsContact CB-O 3.25Å; A442-T496 WeakPolarHBondContact CB-O 3.45Å; C443-T496 PolarHBondContact N-O 3.26Å; C443-T496 VanDerWaalsContact N-O 3.11Å; C443-T496 PolarHBondContact SG-N 3.19Å
497V98.8Very high92.2Very high0 Ų036.8 Ų36.80%025%0.245CC..EExtended strand (participates in β ladder)trans-141.6140.8179.258.80000111.6A26 V27 V440 I441 A442 I446 A473 L476 V499A26-V497 CarbonylContact C-O 3.54Å; A26-V497 VanDerWaalsContact CA-O 3.27Å; A26-V497 WeakPolarHBondContact CA-O 3.45Å; V27-V497 PolarHBondContact N-O 2.92Å; V27-V497 PolarHBondContact O-N 3.28Å; V440-V497 HydrophobicContact CG1-CG2 3.7Å; I441-V497 CarbonylContact O-C 3.46Å; I441-V497 WeakPolarHBondContact O-CA 3.38Å; A442-V497 HydrophobicContact CB-CB 3.88Å; A442-V497 HydrophobicContact CB-CG2 3.94Å; I446-V497 HydrophobicContact CG1-CB 4.32Å; A473-V497 HydrophobicContact CB-CG1 3.92Å; L476-V497 HydrophobicContact CD2-CG2 4.02Å; V497-V499 HydrophobicContact CG2-CG2 4.33Å
498I98.9Very high92.5Very high0 Ų035.7 Ų35.70%023%0.227CC..EExtended strand (participates in β ladder)trans-120.3123.5173.2-50.4174.4000107.7A26 H40 F54 V56 V440 I441 V500A26-I498 HydrophobicContact CB-CB 4.47Å; A26-I498 HydrophobicContact CB-CG1 3.99Å; A26-I498 HydrophobicContact CB-CG2 4.4Å; H40-I498 HydrophobicContact CB-CD1 4.32Å; F54-I498 HydrophobicContact CB-CD1 4.29Å; F54-I498 HydrophobicContact CD1-CG2 4.12Å; V56-I498 HydrophobicContact CG2-CD1 3.76Å; V56-I498 HydrophobicContact CG2-CG1 3.92Å; V440-I498 CarbonylContact C-O 3.58Å; V440-I498 WeakPolarHBondContact CA-O 3.28Å; I441-I498 HydrophobicContact CB-CB 4.34Å; I441-I498 HydrophobicContact CD1-CD1 4.43Å; I441-I498 PolarHBondContact N-O 2.94Å; I441-I498 PolarHBondContact O-N 3.47Å; I498-V500 HydrophobicContact CG2-CG2 3.76Å
499V98.8Very high92.8Very high1 Ų131.2 Ų31.21%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-107.2122.8171.5-178.30000108.2Y24 G25 F438 I459 E469 A473 V497Y24-V499 CarbonylContact C-O 3.42Å; Y24-V499 WeakPolarHBondContact CA-O 3.36Å; Y24-V499 WeakPolarHBondContact CB-O 3.5Å; G25-V499 PolarHBondContact N-O 3.34Å; G25-V499 PolarHBondContact O-N 3.26Å; F438-V499 HydrophobicContact CD2-CG1 4.49Å; I459-V499 HydrophobicContact CD1-CG1 4.45Å; I459-V499 HydrophobicContact CD1-CG2 3.92Å; I459-V499 HydrophobicContact CG2-CG1 4.09Å; E469-V499 HydrophobicContact CB-CB 4.29Å; E469-V499 HydrophobicContact CB-CG1 4.36Å; E469-V499 HydrophobicContact CG-CG1 4.2Å; A473-V499 HydrophobicContact CB-CG2 4.27Å; V497-V499 HydrophobicContact CG2-CG2 4.33Å
500V98.6Very high93Very high1 Ų132.1 Ų32.11%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-120.5111.3-177.4-174.70000110.1V22 K23 F54 F438 L439 I498V22-V500 HydrophobicContact CB-CG1 3.93Å; V22-V500 HydrophobicContact CG1-CG1 4.02Å; K23-V500 CarbonylContact O-C 3.48Å; K23-V500 VanDerWaalsContact O-CA 3.31Å; K23-V500 WeakPolarHBondContact O-CA 3.41Å; F54-V500 HydrophobicContact CD1-CG2 4.09Å; F54-V500 HydrophobicContact CD2-CG2 4.12Å; F54-V500 HydrophobicContact CE1-CG2 4.06Å; F54-V500 HydrophobicContact CE2-CG1 3.94Å; F54-V500 HydrophobicContact CE2-CG2 4.07Å; F54-V500 HydrophobicContact CG-CG2 4.12Å; F54-V500 HydrophobicContact CZ-CG1 3.99Å; F54-V500 HydrophobicContact CZ-CG2 4.04Å; F438-V500 CarbonylContact C-O 3.48Å; F438-V500 WeakPolarHBondContact CA-O 3.41Å; F438-V500 VanDerWaalsContact CB-O 3.26Å; F438-V500 WeakPolarHBondContact CB-O 3.42Å; L439-V500 HydrophobicContact CB-CB 4.35Å; L439-V500 PolarHBondContact N-O 2.99Å; L439-V500 PolarHBondContact O-N 3.24Å; I498-V500 HydrophobicContact CG2-CG2 3.76Å
501T98.1Very high93Very high40 Ų4030.7 Ų30.725%0.24520%0.199CC..EExtended strand (participates in β ladder)trans-95.9136.8-179.5-52.30000111.6V22 K23 E469V22-T501 VanDerWaalsContact CA-O 3.28Å; V22-T501 WeakPolarHBondContact CA-O 3.32Å; K23-T501 PolarHBondContact N-O 2.97Å; K23-T501 PolarHBondContact O-N 3.05Å; E469-T501 VanDerWaalsContact CG-OG1 3.26Å; E469-T501 WeakPolarHBondContact CG-OG1 3.33Å; E469-T501 WeakPolarHBondContact OE1-CB 3.43Å; E469-T501 PolarHBondContact OE1-OG1 3.4Å
502F97.1Very high92.9Very high13 Ų1332.5 Ų32.56%0.05721%0.21CC..EExtended strand (participates in β ladder)trans-90.2137178.2-54.1-62.3000112.7F21 V22 L321 L338 L432 D436 E437 L439F21-F502 HydrophobicContact CD1-CD1 4.34Å; F21-F502 HydrophobicContact CE1-CB 4.23Å; F21-F502 AromaticContact CE1-CD1 3.76Å; F21-F502 HydrophobicContact CE1-CD1 3.76Å; F21-F502 HydrophobicContact CE1-CG 4.3Å; F21-F502 HydrophobicContact CZ-CB 4.03Å; F21-F502 HydrophobicContact CZ-CD1 4.39Å; F21-F502 HydrophobicContact CZ-CG 4.49Å; V22-F502 HydrophobicContact CG1-CD1 3.84Å; V22-F502 HydrophobicContact CG1-CE1 4.22Å; L321-F502 HydrophobicContact CD2-CE1 4.09Å; L338-F502 HydrophobicContact CD1-CE2 3.66Å; L338-F502 HydrophobicContact CD1-CZ 4.18Å; L432-F502 HydrophobicContact CD1-CD1 3.77Å; L432-F502 HydrophobicContact CD1-CE1 3.49Å; L432-F502 VanDerWaalsContact CD1-CE1 3.49Å; L432-F502 HydrophobicContact CD1-CE2 4.34Å; L432-F502 HydrophobicContact CD1-CG 4.32Å; L432-F502 HydrophobicContact CD1-CZ 3.81Å; L432-F502 HydrophobicContact CD2-CD2 4.35Å; L432-F502 HydrophobicContact CD2-CE1 4.25Å; L432-F502 HydrophobicContact CD2-CE2 3.73Å; L432-F502 HydrophobicContact CD2-CZ 3.67Å; L432-F502 HydrophobicContact CG-CZ 4.43Å; D436-F502 HydrophobicContact CB-CD2 4.21Å; D436-F502 HydrophobicContact CB-CE2 4.31Å; D436-F502 WeakPolarHBondContact O-CD2 3.29Å; E437-F502 PolarHBondContact O-N 3.07Å; L439-F502 HydrophobicContact CB-CE2 4.36Å; L439-F502 HydrophobicContact CB-CZ 3.96Å
503Q93.7Very high92.7Very high47 Ų4734.6 Ų34.622%0.2222%0.224CC..  trans-102.787.5179.6-64.1177.527.100110.8F21 N505F21-Q503 VanDerWaalsContact CD2-O 3.3Å; F21-Q503 WeakPolarHBondContact CD2-O 3.48Å; F21-Q503 WeakPolarHBondContact CE2-O 3.33Å; F21-Q503 WeakPolarHBondContact O-CB 3.48Å; F21-Q503 PolarHBondContact O-N 3.24Å; Q503-N505 VanDerWaalsContact C-N 3.26Å; Q503-N505 PolarHBondContact O-N 3.43Å
504W92.4Very high92.4Very high65 Ų6536.1 Ų36.125%0.24623%0.234CC..THydrogen-bonded Turntrans-73.4-14.7177.2-67.6102000114.8F21 K324 L432 E433 K434 D436F21-W504 HydrophobicContact CE2-CD2 4.31Å; F21-W504 HydrophobicContact CE2-CE3 4.32Å; F21-W504 HydrophobicContact CZ-CD2 4.27Å; F21-W504 HydrophobicContact CZ-CE3 4.38Å; F21-W504 HydrophobicContact CZ-CH2 4.13Å; F21-W504 AromaticContact CZ-CZ2 3.98Å; F21-W504 HydrophobicContact CZ-CZ2 3.98Å; F21-W504 HydrophobicContact CZ-CZ3 4.34Å; K324-W504 HydrophobicContact CD-CH2 4.36Å; K324-W504 HydrophobicContact CD-CZ3 4.18Å; L432-W504 HydrophobicContact CB-CH2 3.96Å; L432-W504 HydrophobicContact CB-CZ2 3.95Å; E433-W504 WeakPolarHBondContact O-CH2 3.33Å; E433-W504 WeakPolarHBondContact O-CZ2 3.39Å; K434-W504 HydrophobicContact CG-CD2 4.37Å; K434-W504 HydrophobicContact CG-CE3 3.9Å; K434-W504 HydrophobicContact CG-CZ3 4.15Å; D436-W504 HydrophobicContact CB-CZ2 4.49Å; D436-W504 PolarHBondContact O-NE1 2.67Å
505N74.3Confident92Very high169 Ų16938.9 Ų38.990%0.90425%0.253SS*.THydrogen-bonded Turntrans-101.125.1-174.4-64.2-31.2000113.6Q503Q503-N505 VanDerWaalsContact C-N 3.26Å; Q503-N505 PolarHBondContact O-N 3.43Å
506G56.1Low91.4Very high131 Ų13142.5 Ų42.5100%1.35128%0.276SS*.  trans-80.50175.500000114.3

Retrieved 506 of 506 residues in 294.6 ms (Link to these results)

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