A0A087XHV9_POEFO Loading...

Coronin

AlphaFold DB , UniProt , Accession A0A087XHV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low58.3Low240 Ų240147.1 Ų147.1100%1.18274%0.735SS**  01340-68.2-174.3-156.200108.2F3M1-F3 PolarHBondContact O-N 3.23Å
2S35Very low61.3Low108 Ų108142.9 Ų142.976%0.75571%0.709SS**  trans-60.1126.1-174.4178.30000112.1R4S2-R4 VanDerWaalsContact C-N 3.25Å; S2-R4 PolarHBondContact O-N 3.37Å
3F42.5Very low64Low205 Ų205132.2 Ų132.290%0.89966%0.656SS**  trans-66.488.7161.5-75.4-90.3000107.6M1 R5M1-F3 PolarHBondContact O-N 3.23Å; F3-R5 PolarHBondContact O-N 3.05Å
4R42.8Very low66.2Low228 Ų228131.4 Ų131.486%0.8664%0.642SS**  trans-59.2113162.8-74.2-173.2-177.9-173.51.5106.2S2 G6S2-R4 VanDerWaalsContact C-N 3.25Å; S2-R4 PolarHBondContact O-N 3.37Å; R4-G6 VanDerWaalsContact C-N 3.32Å; R4-G6 PolarHBondContact O-N 3.42Å
5R43.7Very low68.2Low244 Ų244131.5 Ų131.592%0.92164%0.64SS**  trans-49.5102.9163-77.3178173178.3-2.7106.3F3 V7F3-R5 PolarHBondContact O-N 3.05Å; R5-V7 PolarHBondContact O-N 3.48Å
6G51.4Low70Confident62 Ų62123.6 Ų123.664%0.63960%0.602SS**  trans-56.7125.1-178.400000108.3R4 V8R4-G6 VanDerWaalsContact C-N 3.32Å; R4-G6 PolarHBondContact O-N 3.42Å; G6-V8 PolarHBondContact O-N 3.24Å
7V59Low71.6Confident145 Ų145121.2 Ų121.288%0.87959%0.588SS**  trans-59.6106.8168.5178.20000105.4R5 R9R5-V7 PolarHBondContact O-N 3.48Å; V7-R9 PolarHBondContact O-N 3Å; V7-R9 VanDerWaalsContact O-N 3.15Å
8V66.6Low73.1Confident115 Ų115115.8 Ų115.870%0.69757%0.566SS**  trans-65.4115.7175.7177.60000106.1G6 Q10G6-V8 PolarHBondContact O-N 3.24Å; V8-Q10 PolarHBondContact O-N 2.81Å
9R83.6Confident74.4Confident61 Ų61115.8 Ų115.823%0.2357%0.565CS.*  trans-51.4125.2174.9178.7-178.1165.9-98.3-23.4108.5V7 S11 E297 T299 H306V7-R9 PolarHBondContact O-N 3Å; V7-R9 VanDerWaalsContact O-N 3.15Å; R9-S11 PolarHBondContact O-N 3.42Å; R9-E297 IonicContact CZ-OE1 2.72Å; R9-E297 IonicContact CZ-OE2 3.93Å; R9-E297 VanDerWaalsContact CZ-OE2 3.3Å; R9-E297 IonicContact NH1-OE2 3.34Å; R9-E297 PolarHBondContact NH1-OE2 3.17Å; R9-E297 IonicContact NH2-OE1 3.33Å; R9-E297 PolarHBondContact NH2-OE1 3.22Å; R9-E297 IonicContact NH2-OE2 2.68Å; R9-E297 PolarHBondContact NH2-OE2 3.27Å; R9-T299 VanDerWaalsContact NH2-CG2 3.27Å; R9-H306 WeakPolarHBondContact CD-ND1 3.19Å
10Q87.3Confident75.6Confident191 Ų191111.7 Ų111.789%0.89355%0.55SS**  trans-76.3110175.2-70.4-170.4-13.100108.6V8V8-Q10 PolarHBondContact O-N 2.81Å
11S92.6Very high76.6Confident19 Ų19110.4 Ų110.413%0.13354%0.539CS..  trans-125.6129170.51680000108.9R9 F13 R14 E297R9-S11 PolarHBondContact O-N 3.42Å; S11-F13 PolarHBondContact O-N 3.31Å; S11-F13 PolarHBondContact OG-N 3.06Å; S11-R14 VanDerWaalsContact O-CB 3.26Å; S11-R14 WeakPolarHBondContact O-CB 3.47Å; S11-R14 PolarHBondContact O-N 2.81Å; S11-R14 PolarHBondContact OG-N 2.94Å; S11-E297 WeakPolarHBondContact CB-OE2 3.42Å; S11-E297 PolarHBondContact OG-OE2 3.37Å
12K94.6Very high79.4Confident97 Ų97105.9 Ų105.942%0.42251%0.513SS..THydrogen-bonded Turntrans-66.4-16.4172.467.2-173.4-179.3-1730112.5D363 L364K12-D363 PolarHBondContact NZ-O 3.41Å; K12-L364 HydrophobicContact CD-CD2 4.16Å; K12-L364 HydrophobicContact CG-CD2 4.49Å
13F96.5Very high82.3Confident4 Ų4103.9 Ų103.92%0.01850%0.503CS..THydrogen-bonded Turntrans-97.4-0.1178.8-54.4-63.7000113.4S11 H15 V16 T280 M282 E297 L308 I335 V353 L364S11-F13 PolarHBondContact O-N 3.31Å; S11-F13 PolarHBondContact OG-N 3.06Å; F13-H15 PolarHBondContact O-N 3.27Å; F13-V16 HydrophobicContact CB-CG2 3.9Å; F13-V16 HydrophobicContact CD1-CG2 4.13Å; F13-V16 WeakPolarHBondContact O-CB 3.29Å; F13-V16 VanDerWaalsContact O-CG2 3.29Å; F13-V16 WeakPolarHBondContact O-CG2 3.3Å; F13-V16 PolarHBondContact O-N 2.9Å; F13-T280 HydrophobicContact CE1-CG2 3.88Å; F13-T280 WeakPolarHBondContact CE2-O 3.49Å; F13-T280 HydrophobicContact CZ-CG2 3.72Å; F13-M282 HydrophobicContact CB-SD 4.04Å; F13-M282 HydrophobicContact CD1-SD 3.85Å; F13-M282 HydrophobicContact CD2-CG 4.48Å; F13-M282 HydrophobicContact CD2-SD 4.36Å; F13-M282 HydrophobicContact CE1-SD 4.36Å; F13-M282 HydrophobicContact CG-SD 3.83Å; F13-E297 HydrophobicContact CD2-CG 4.27Å; F13-L308 HydrophobicContact CB-CD1 3.8Å; F13-I335 HydrophobicContact CD1-CD1 4.15Å; F13-I335 HydrophobicContact CE1-CD1 4.38Å; F13-V353 HydrophobicContact CD1-CG2 3.94Å; F13-V353 HydrophobicContact CE1-CG2 4.3Å; F13-L364 HydrophobicContact CE1-CD2 4.01Å
14R94.7Very high84.8Confident121 Ų12199.8 Ų99.846%0.45749%0.487SS..THydrogen-bonded Turntrans-52.1-32.3-178.4177.859.8-173.594.5-7.5114.1S11S11-R14 VanDerWaalsContact O-CB 3.26Å; S11-R14 WeakPolarHBondContact O-CB 3.47Å; S11-R14 PolarHBondContact O-N 2.81Å; S11-R14 PolarHBondContact OG-N 2.94Å
15H95.7Very high87.3Confident132 Ų13293 Ų9361%0.61147%0.465SS*.THydrogen-bonded Turntrans-110.416.9-175.9-59.7-61.9000113.2F13 F17 P354F13-H15 PolarHBondContact O-N 3.27Å; H15-F17 PolarHBondContact O-N 3.25Å; H15-P354 HydrophobicContact CB-CG 3.83Å; H15-P354 WeakPolarHBondContact O-CD 3.35Å; H15-P354 WeakPolarHBondContact O-CG 3.48Å
16V97.9Very high89.9Confident6 Ų681.4 Ų81.44%0.03642%0.421CS..  trans-53.5130.8168170.80000108.4F13 M282 Y295 I335 M351 T352 V353F13-V16 HydrophobicContact CB-CG2 3.9Å; F13-V16 HydrophobicContact CD1-CG2 4.13Å; F13-V16 WeakPolarHBondContact O-CB 3.29Å; F13-V16 VanDerWaalsContact O-CG2 3.29Å; F13-V16 WeakPolarHBondContact O-CG2 3.3Å; F13-V16 PolarHBondContact O-N 2.9Å; V16-M282 HydrophobicContact CG2-SD 4.46Å; V16-Y295 HydrophobicContact CB-CE2 4.3Å; V16-Y295 HydrophobicContact CG1-CE2 4.06Å; V16-Y295 PolarHBondContact O-OH 3.41Å; V16-I335 HydrophobicContact CG1-CD1 4.2Å; V16-I335 HydrophobicContact CG2-CD1 3.67Å; V16-M351 HydrophobicContact CG1-CB 4.28Å; V16-T352 WeakPolarHBondContact CA-O 3.29Å; V16-V353 HydrophobicContact CG2-CG2 3.68Å
17F97Very high92.1Very high83 Ų8378.6 Ų78.636%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-125.6149.6174.569.3-85000110H15 Q19 M351 T352 P354H15-F17 PolarHBondContact O-N 3.25Å; F17-Q19 HydrophobicContact CD2-CB 4.39Å; F17-Q19 HydrophobicContact CE2-CB 4.2Å; F17-M351 WeakPolarHBondContact O-CA 3.33Å; F17-T352 WeakPolarHBondContact CD1-O 3.45Å; F17-T352 HydrophobicContact CE1-CG2 3.89Å; F17-T352 HydrophobicContact CZ-CG2 3.88Å; F17-T352 PolarHBondContact N-O 2.76Å; F17-T352 VanDerWaalsContact N-O 3.08Å; F17-T352 PolarHBondContact O-N 3.08Å; F17-P354 HydrophobicContact CD1-CB 4.46Å; F17-P354 HydrophobicContact CD1-CG 4.39Å; F17-P354 HydrophobicContact CE1-CB 4.05Å; F17-P354 HydrophobicContact CE1-CG 4.45Å
18A97.8Very high93.9Very high23 Ų2374.5 Ų74.519%0.1936%0.364CS..EExtended strand (participates in β ladder)trans-102.8130.3178.600000109.5Y311 I349 S350 M351A18-Y311 HydrophobicContact CB-CD2 3.58Å; A18-Y311 HydrophobicContact CB-CG 3.86Å; A18-I349 HydrophobicContact CB-CG2 4.07Å; A18-S350 CarbonylContact C-O 3.45Å; A18-S350 VanDerWaalsContact CA-O 3.31Å; A18-S350 WeakPolarHBondContact CA-O 3.45Å; A18-M351 HydrophobicContact CB-CE 3.94Å; A18-M351 HydrophobicContact CB-SD 3.43Å; A18-M351 WeakPolarHBondContact CB-SD 3.3Å
19Q97.8Very high95.4Very high116 Ų11670.9 Ų70.954%0.54234%0.341SS..EExtended strand (participates in β ladder)trans-127.7114.9178.7-173.7168.317.900110.4F17 I349 S350F17-Q19 HydrophobicContact CD2-CB 4.39Å; F17-Q19 HydrophobicContact CE2-CB 4.2Å; Q19-I349 WeakPolarHBondContact O-CA 3.34Å; Q19-S350 PolarHBondContact N-O 3.33Å; Q19-S350 PolarHBondContact O-N 3.29Å
20A97.8Very high96Very high33 Ų3368.1 Ų68.127%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-67.6138.7169.100000109.9Y311 E347 I349A20-Y311 HydrophobicContact CB-CE2 4.37Å; A20-E347 HydrophobicContact CB-CG 4.4Å; A20-I349 HydrophobicContact CB-CG1 4.33Å
21W97.3Very high96.4Very high85 Ų8564.5 Ų64.532%0.32231%0.309SS..PPolyproline II helixtrans-71.4158.8176.7-73.422.3000111H25 P348 S350W21-H25 HydrophobicContact CB-CB 4.26Å; W21-H25 HydrophobicContact CD2-CB 4.4Å; W21-H25 HydrophobicContact CE3-CB 3.53Å; W21-H25 HydrophobicContact CZ3-CB 4.25Å; W21-P348 HydrophobicContact CB-CB 4.21Å; W21-P348 HydrophobicContact CD2-CB 3.63Å; W21-P348 HydrophobicContact CD2-CG 4.18Å; W21-P348 HydrophobicContact CE3-CB 3.77Å; W21-P348 HydrophobicContact CE3-CG 3.84Å; W21-P348 HydrophobicContact CG-CB 3.79Å; W21-P348 HydrophobicContact CG-CG 4.45Å; W21-P348 HydrophobicContact CZ3-CB 4.45Å; W21-P348 HydrophobicContact CZ3-CG 4.48Å; W21-P348 PolarHBondContact N-O 3.38Å; W21-S350 PolarHBondContact NE1-OG 3.28Å
22K96.9Very high96.6Very high145 Ų14563.7 Ų63.763%0.6330%0.304SS*.PPolyproline II helixtrans-64.6155.2174.1-64.9179.4-178.3176.70110.5E24 H25K22-E24 HydrophobicContact CB-CG 4.04Å; K22-E24 WeakPolarHBondContact CD-OE1 3.2Å; K22-E24 PolarHBondContact O-N 3.09Å; K22-E24 VanDerWaalsContact O-N 3.16Å; K22-H25 PolarHBondContact O-N 3.23Å
23A94.4Very high96.7Very high67 Ų6759.4 Ų59.455%0.55429%0.286SS*.G310 helixtrans-54.2-36.7-178.500000113.3H25 C26A23-H25 PolarHBondContact O-N 3.25Å; A23-H25 VanDerWaalsContact O-N 3.09Å; A23-C26 WeakPolarHBondContact O-CB 3.45Å; A23-C26 PolarHBondContact O-N 3.18Å
24E94.9Very high96.6Very high118 Ų11865.2 Ų65.255%0.55131%0.308SS*.G310 helixtrans-61.4-17.2177.165.9-153.5-17000114.9K22 S69K22-E24 HydrophobicContact CB-CG 4.04Å; K22-E24 WeakPolarHBondContact CD-OE1 3.2Å; K22-E24 PolarHBondContact O-N 3.09Å; K22-E24 VanDerWaalsContact O-N 3.16Å; E24-S69 VanDerWaalsContact O-CB 3.26Å; E24-S69 WeakPolarHBondContact O-CB 3.49Å; E24-S69 PolarHBondContact O-OG 2.83Å
25H96.3Very high96.5Very high86 Ų8661 Ų6140%0.39830%0.296SS..G310 helixtrans-107.15.4175.4-52.4-63.2000113.3W21 K22 A23W21-H25 HydrophobicContact CB-CB 4.26Å; W21-H25 HydrophobicContact CD2-CB 4.4Å; W21-H25 HydrophobicContact CE3-CB 3.53Å; W21-H25 HydrophobicContact CZ3-CB 4.25Å; K22-H25 PolarHBondContact O-N 3.23Å; A23-H25 PolarHBondContact O-N 3.25Å; A23-H25 VanDerWaalsContact O-N 3.09Å
26C97.7Very high96.2Very high0 Ų061.3 Ų61.30%031%0.307CS..SBendtrans-86163.5172.2-62.80000110.6A23 G70 K345 V346A23-C26 WeakPolarHBondContact O-CB 3.45Å; A23-C26 PolarHBondContact O-N 3.18Å; C26-G70 PolarHBondContact O-N 3.32Å; C26-K345 HydrophobicContact CB-CD 4.36Å; C26-K345 HydrophobicContact CB-CG 4.26Å; C26-V346 WeakPolarHBondContact CA-O 3.45Å; C26-V346 WeakPolarHBondContact CB-O 3.46Å
27L98.1Very high96Very high4 Ų463.1 Ų63.12%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-96.8123.8163.9-60.5171.7000108.5V30 I49 V64 K68 G70 I72 K345 V346L27-V30 HydrophobicContact CB-CG2 3.9Å; L27-I49 HydrophobicContact CD1-CD1 4.05Å; L27-I49 HydrophobicContact CD1-CG2 4.39Å; L27-V64 HydrophobicContact CD1-CG2 3.71Å; L27-V64 HydrophobicContact CD2-CG2 4.48Å; L27-K68 HydrophobicContact CD2-CB 4.25Å; L27-K68 HydrophobicContact CD2-CG 3.94Å; L27-K68 WeakPolarHBondContact CD2-O 3.42Å; L27-G70 WeakPolarHBondContact CA-O 3.28Å; L27-I72 HydrophobicContact CB-CG1 4.41Å; L27-I72 HydrophobicContact CD2-CD1 3.89Å; L27-I72 HydrophobicContact CD2-CG1 4.29Å; L27-K345 CarbonylContact O-C 3.53Å; L27-K345 WeakPolarHBondContact O-CA 3.45Å; L27-V346 HydrophobicContact CB-CB 3.96Å; L27-V346 HydrophobicContact CB-CG2 4.15Å; L27-V346 HydrophobicContact CD1-CB 4.15Å; L27-V346 HydrophobicContact CD1-CG2 4.16Å; L27-V346 HydrophobicContact CG-CB 4.39Å; L27-V346 PolarHBondContact N-O 3.5Å; L27-V346 PolarHBondContact O-N 2.71Å
28D97.4Very high95.6Very high58 Ų5862 Ų6231%0.3131%0.311SS..EExtended strand (participates in β ladder)trans-108.3157.3179.3-65-49.6000111.6V30 G70 I72D28-V30 PolarHBondContact O-N 2.69Å; D28-G70 PolarHBondContact N-O 2.99Å; D28-I72 PolarHBondContact O-N 3.08Å
29D96.5Very high95.3Very high40 Ų4061.3 Ų61.321%0.21431%0.306CS..SBendtrans64.522.9179.5-146.512.1000114.1R31 R71 R344D29-R31 PolarHBondContact O-N 2.91Å; D29-R71 HydrophobicContact CB-CG 3.88Å; D29-R71 IonicContact OD2-CZ 3.83Å; D29-R71 IonicContact OD2-NE 3.49Å; D29-R71 PolarHBondContact OD2-NE 3.25Å; D29-R71 IonicContact OD2-NH2 3.87Å; D29-R71 PolarHBondContact OD2-NH2 3.05Å; D29-R344 PolarHBondContact N-O 3.43Å
30V97.1Very high95.1Very high3 Ų357.3 Ų57.32%0.01829%0.29CS..  trans-81.8109.8173.1-179.70000109.7L27 D28 V32 V51 I53 L62 I72 R344 V346L27-V30 HydrophobicContact CB-CG2 3.9Å; D28-V30 PolarHBondContact O-N 2.69Å; V30-V32 VanDerWaalsContact C-N 3.35Å; V30-V32 HydrophobicContact CG1-CG2 4.22Å; V30-V32 PolarHBondContact O-N 2.96Å; V30-V51 HydrophobicContact CG1-CB 4.44Å; V30-V51 HydrophobicContact CG1-CG1 4.1Å; V30-I53 HydrophobicContact CG1-CG2 3.97Å; V30-L62 HydrophobicContact CG1-CD2 4.02Å; V30-L62 HydrophobicContact CG2-CD2 4.05Å; V30-I72 HydrophobicContact CG2-CB 4.2Å; V30-I72 HydrophobicContact CG2-CG1 3.68Å; V30-R344 PolarHBondContact N-O 2.65Å; V30-R344 CarbonylContact O-C 3.54Å; V30-R344 VanDerWaalsContact O-CA 3.23Å; V30-R344 WeakPolarHBondContact O-CA 3.4Å; V30-V346 HydrophobicContact CB-CG2 4.3Å; V30-V346 HydrophobicContact CG1-CG2 4.27Å; V30-V346 HydrophobicContact CG2-CG2 4.2Å
31R95.4Very high95.1Very high114 Ų11455.8 Ų55.843%0.4328%0.277SS..  trans-74.480-180-61.4-172.3-62.7-141.7-3.4112D29 I53 E54D29-R31 PolarHBondContact O-N 2.91Å; R31-I53 CarbonylContact O-C 3.6Å; R31-I53 WeakPolarHBondContact O-CA 3.17Å; R31-I53 WeakPolarHBondContact O-CB 3.22Å; R31-E54 HydrophobicContact CB-CB 4.46Å; R31-E54 PolarHBondContact O-N 3.19Å
32V97.3Very high95.1Very high3 Ų352 Ų522%0.01826%0.263CS..BIsolated β-bridgetrans-61.7136.7-178.1177.10000111.1V30 R34 L41 V51 R318 L341 H342 E343V30-V32 VanDerWaalsContact C-N 3.35Å; V30-V32 HydrophobicContact CG1-CG2 4.22Å; V30-V32 PolarHBondContact O-N 2.96Å; V32-R34 PolarHBondContact O-N 3.41Å; V32-L41 HydrophobicContact CG1-CD1 4.35Å; V32-V51 HydrophobicContact CG2-CG1 4.06Å; V32-R318 HydrophobicContact CG1-CB 4Å; V32-L341 HydrophobicContact CG1-CB 4.26Å; V32-L341 HydrophobicContact CG1-CD1 3.79Å; V32-L341 HydrophobicContact CG2-CB 4.25Å; V32-L341 HydrophobicContact CG2-CD1 4.42Å; V32-L341 HydrophobicContact CG2-CD2 4.36Å; V32-H342 VanDerWaalsContact CG2-O 3.24Å; V32-H342 WeakPolarHBondContact CG2-O 3.33Å; V32-E343 PolarHBondContact N-O 2.8Å
33S96.3Very high95.2Very high6 Ų645.6 Ų45.64%0.04224%0.237CC..  trans-53.6134.8-179.2178.30000113.3V35 I52S33-V35 WeakPolarHBondContact OG-CB 3.38Å; S33-V35 VanDerWaalsContact OG-CG2 3.29Å; S33-V35 WeakPolarHBondContact OG-CG2 3.12Å; S33-V35 PolarHBondContact OG-N 3.31Å; S33-I52 WeakPolarHBondContact CB-O 3.45Å; S33-I52 PolarHBondContact N-O 3.48Å
34R93.6Very high95.4Very high126 Ų12642.9 Ų42.948%0.47521%0.214SC..  trans-92.11.7173.1-67.3175.1-151-134-20.3113.6V32 T36 E54 E343V32-R34 PolarHBondContact O-N 3.41Å; R34-T36 PolarHBondContact O-N 2.7Å; R34-E54 VanDerWaalsContact CB-OE1 3.24Å; R34-E54 WeakPolarHBondContact CB-OE1 3.28Å; R34-E54 WeakPolarHBondContact CD-OE1 3.46Å; R34-E54 WeakPolarHBondContact CG-OE1 3.42Å; R34-E54 IonicContact CZ-OE2 2.75Å; R34-E54 VanDerWaalsContact NE-CD 3.32Å; R34-E54 IonicContact NE-OE1 2.72Å; R34-E54 PolarHBondContact NE-OE1 3.1Å; R34-E54 IonicContact NE-OE2 3.12Å; R34-E54 PolarHBondContact NE-OE2 3.11Å; R34-E54 IonicContact NH2-OE2 3.68Å; R34-E343 IonicContact CZ-OE1 3.5Å; R34-E343 IonicContact NH1-OE1 3.38Å; R34-E343 IonicContact NH2-OE1 2.75Å; R34-E343 PolarHBondContact NH2-OE1 3.34Å
35V92.4Very high95.5Very high34 Ų3437.4 Ų37.421%0.20619%0.189CC..  trans-52.4134.4179.9174.50000110.1S33 W37 P85 L87 K288S33-V35 WeakPolarHBondContact OG-CB 3.38Å; S33-V35 VanDerWaalsContact OG-CG2 3.29Å; S33-V35 WeakPolarHBondContact OG-CG2 3.12Å; S33-V35 PolarHBondContact OG-N 3.31Å; V35-W37 HydrophobicContact CG1-CB 4.07Å; V35-W37 PolarHBondContact O-N 2.87Å; V35-P85 HydrophobicContact CG2-CB 3.84Å; V35-P85 HydrophobicContact CG2-CG 4.43Å; V35-L87 HydrophobicContact CG1-CD2 3.68Å; V35-K288 PolarHBondContact O-NZ 2.78Å
36T90.4Very high95.6Very high138 Ų13834.2 Ų34.285%0.84718%0.176SC*.  trans-80.472.2176.652.20000109.5R34R34-T36 PolarHBondContact O-N 2.7Å
37W93.6Very high95.5Very high43 Ų4335.7 Ų35.716%0.16318%0.182CC..  trans-126.8141.7172.3-164.5-109.4000109.5V35 G39 L87 G137V35-W37 HydrophobicContact CG1-CB 4.07Å; V35-W37 PolarHBondContact O-N 2.87Å; W37-G39 PolarHBondContact O-N 3.11Å; W37-G39 VanDerWaalsContact O-N 3.13Å; W37-L87 HydrophobicContact CB-CD2 4.14Å; W37-L87 HydrophobicContact CD2-CB 4.31Å; W37-L87 HydrophobicContact CD2-CD1 4.11Å; W37-L87 HydrophobicContact CD2-CD2 4.24Å; W37-L87 HydrophobicContact CD2-CG 4.47Å; W37-L87 HydrophobicContact CE3-CD1 4.08Å; W37-L87 HydrophobicContact CE3-CD2 4.41Å; W37-L87 HydrophobicContact CG-CB 4.2Å; W37-L87 HydrophobicContact CG-CD2 4.12Å; W37-L87 HydrophobicContact CH2-CD1 4.38Å; W37-L87 HydrophobicContact CZ2-CD1 4.41Å; W37-L87 HydrophobicContact CZ3-CD1 4.21Å; W37-G137 PolarHBondContact NE1-O 3.42Å
38D89.1Confident95.5Very high61 Ų6135.7 Ų35.733%0.32618%0.182SC..  trans-87.944.1-177.2-68.1-38.6000111.4R226 V271D38-R226 PolarHBondContact O-NH2 2.96Å; D38-V271 HydrophobicContact CB-CG2 4.48Å
39G90.7Very high95.6Very high8 Ų833 Ų338%0.08217%0.168CC..SBendtrans-99.7168.8176.500000113W37 L41W37-G39 PolarHBondContact O-N 3.11Å; W37-G39 VanDerWaalsContact O-N 3.13Å; G39-L41 PolarHBondContact O-N 2.6Å
40P94.2Very high95.7Very high32 Ų3231.1 Ų31.121%0.20816%0.158CC..  trans-67.6-23.7175.226.6-32.9000113.2C42 L273 F275 G319 A320P40-C42 PolarHBondContact O-N 2.88Å; P40-L273 HydrophobicContact CB-CD1 4.43Å; P40-F275 HydrophobicContact CB-CZ 4.35Å; P40-G319 CarbonylContact O-C 3.51Å; P40-G319 VanDerWaalsContact O-CA 3.28Å; P40-G319 WeakPolarHBondContact O-CA 3.33Å; P40-A320 VanDerWaalsContact CB-O 3.23Å; P40-A320 WeakPolarHBondContact CB-O 3.4Å; P40-A320 PolarHBondContact O-N 3Å
41L97.6Very high95.8Very high1 Ų131 Ų311%0.00516%0.157CC..SBendtrans59.1-0.1-174.8-55.7178.7000115.4V32 G39 I52 L341V32-L41 HydrophobicContact CG1-CD1 4.35Å; G39-L41 PolarHBondContact O-N 2.6Å; L41-I52 HydrophobicContact CD2-CB 4.44Å; L41-I52 HydrophobicContact CD2-CD1 4.05Å; L41-I52 PolarHBondContact O-N 2.6Å; L41-L341 HydrophobicContact CB-CD1 3.71Å
42C98.2Very high95.9Very high4 Ų425.7 Ų25.73%0.02714%0.137CC..EExtended strand (participates in β ladder)trans-143.7136.6179.6179.90000110P40 V44 A50 L341P40-C42 PolarHBondContact O-N 2.88Å; C42-V44 VanDerWaalsContact SG-CG2 3.55Å; C42-A50 VanDerWaalsContact CA-O 3.24Å; C42-A50 WeakPolarHBondContact CA-O 3.29Å; C42-A50 PolarHBondContact SG-O 3.27Å; C42-L341 HydrophobicContact CB-CD1 3.82Å; C42-L341 HydrophobicContact CB-CD2 3.97Å; C42-L341 HydrophobicContact CB-CG 3.98Å
43A98.6Very high95.9Very high11 Ų1126.6 Ų26.69%0.09114%0.141CC..EExtended strand (participates in β ladder)trans-128.5134.7173.100000108.6A50 I89 W91A43-A50 PolarHBondContact N-O 2.74Å; A43-A50 PolarHBondContact O-N 3.38Å; A43-I89 HydrophobicContact CB-CD1 4.24Å; A43-I89 HydrophobicContact CB-CG1 4.03Å; A43-I89 WeakPolarHBondContact CB-O 3.36Å; A43-W91 VanDerWaalsContact C-NE1 3.26Å; A43-W91 PolarHBondContact O-NE1 2.86Å
44V98.4Very high95.7Very high10 Ų1029.3 Ų29.36%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-135.2135.9-175.7-165.60000109.9C42 F48 I49 I66 L323 Y339C42-V44 VanDerWaalsContact SG-CG2 3.55Å; V44-F48 WeakPolarHBondContact CA-O 3.41Å; V44-F48 VanDerWaalsContact CG1-O 3.31Å; V44-F48 WeakPolarHBondContact CG1-O 3.24Å; V44-I49 HydrophobicContact CG1-CG1 3.88Å; V44-I49 HydrophobicContact CG2-CG2 4.23Å; V44-I66 HydrophobicContact CG1-CD1 4.23Å; V44-L323 HydrophobicContact CB-CD1 4.41Å; V44-L323 HydrophobicContact CG1-CD1 3.8Å; V44-Y339 HydrophobicContact CB-CD2 4.1Å; V44-Y339 HydrophobicContact CB-CE2 4.33Å; V44-Y339 HydrophobicContact CG1-CD2 3.88Å; V44-Y339 HydrophobicContact CG1-CE2 3.65Å; V44-Y339 HydrophobicContact CG2-CD2 3.66Å; V44-Y339 HydrophobicContact CG2-CE2 4.31Å; V44-Y339 HydrophobicContact CG2-CG 3.83Å
45N97.7Very high95.4Very high4 Ų425.4 Ų25.42%0.02115%0.148CC..  trans-128.4-178.5172.677.16.1000109.4K47 F48 I66 W91 D96 L323N45-K47 PolarHBondContact O-N 3.16Å; N45-K47 PolarHBondContact OD1-N 3.28Å; N45-F48 PolarHBondContact N-O 2.88Å; N45-F48 VanDerWaalsContact N-O 3.08Å; N45-F48 PolarHBondContact OD1-N 2.89Å; N45-I66 WeakPolarHBondContact O-CD1 3.14Å; N45-W91 HydrophobicContact CB-CB 4.21Å; N45-W91 HydrophobicContact CB-CD2 4.28Å; N45-W91 HydrophobicContact CB-CG 3.88Å; N45-W91 VanDerWaalsContact ND2-CD2 3.32Å; N45-W91 VanDerWaalsContact ND2-CE3 3.28Å; N45-D96 VanDerWaalsContact ND2-C 3.32Å; N45-D96 VanDerWaalsContact ND2-CA 3.28Å; N45-D96 WeakPolarHBondContact ND2-CA 3.15Å; N45-D96 PolarHBondContact ND2-O 3.07Å; N45-L323 WeakPolarHBondContact O-CD1 3.24Å
46P96.7Very high94.5Very high19 Ų1928.6 Ų28.612%0.12319%0.188CC..SBendtrans-64.4-9.8-176.2-24.738000115.3I66 D96 C324 R326 Y397P46-I66 WeakPolarHBondContact O-CG2 3.08Å; P46-D96 WeakPolarHBondContact CD-OD1 3.38Å; P46-C324 VanDerWaalsContact CD-SG 3.54Å; P46-R326 HydrophobicContact CG-CB 3.77Å; P46-Y397 HydrophobicContact CB-CD1 4.07Å; P46-Y397 HydrophobicContact CB-CE1 3.82Å; P46-Y397 HydrophobicContact CG-CD1 4.26Å; P46-Y397 HydrophobicContact CG-CE1 3.89Å
47K96.9Very high94.1Very high31 Ų3124.7 Ų24.714%0.13518%0.175CC..SBendtrans-110.4-35-178-64-18081.11600113N45 P65 I66 D96 N97 D115 A399 P400N45-K47 PolarHBondContact O-N 3.16Å; N45-K47 PolarHBondContact OD1-N 3.28Å; K47-P65 CarbonylContact O-C 3.59Å; K47-P65 WeakPolarHBondContact O-CA 3.42Å; K47-I66 PolarHBondContact O-N 2.91Å; K47-D96 HydrophobicContact CD-CB 3.49Å; K47-D96 VanDerWaalsContact CD-CB 3.49Å; K47-D96 HydrophobicContact CG-CB 3.97Å; K47-N97 PolarHBondContact NZ-OD1 2.83Å; K47-D115 VanDerWaalsContact CE-OD1 3.24Å; K47-D115 WeakPolarHBondContact CE-OD1 3.4Å; K47-D115 IonicContact NZ-OD1 2.67Å; K47-D115 PolarHBondContact NZ-OD1 2.85Å; K47-A399 HydrophobicContact CD-CB 3.86Å; K47-A399 HydrophobicContact CG-CB 3.57Å; K47-P400 PolarHBondContact NZ-O 3.37Å; K47-P400 VanDerWaalsContact NZ-O 3.11Å
48F98.2Very high94Very high3 Ų324.2 Ų24.21%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-140.8150.1-164.9-55.3-69.1000113.4V44 N45 V63 V64 W91 D96 I113 P114V44-F48 WeakPolarHBondContact CA-O 3.41Å; V44-F48 VanDerWaalsContact CG1-O 3.31Å; V44-F48 WeakPolarHBondContact CG1-O 3.24Å; N45-F48 PolarHBondContact N-O 2.88Å; N45-F48 VanDerWaalsContact N-O 3.08Å; N45-F48 PolarHBondContact OD1-N 2.89Å; F48-V63 HydrophobicContact CB-CG1 3.98Å; F48-V63 HydrophobicContact CD1-CG1 4.18Å; F48-V63 HydrophobicContact CG-CG1 4.15Å; F48-V64 CarbonylContact C-O 3.52Å; F48-V64 VanDerWaalsContact CA-O 3.27Å; F48-V64 WeakPolarHBondContact CA-O 3.25Å; F48-W91 HydrophobicContact CB-CH2 3.53Å; F48-W91 HydrophobicContact CB-CZ2 3.37Å; F48-W91 AromaticContact CD2-CH2 3.6Å; F48-W91 HydrophobicContact CD2-CH2 3.6Å; F48-W91 HydrophobicContact CD2-CZ2 4.28Å; F48-W91 AromaticContact CD2-CZ3 3.9Å; F48-W91 HydrophobicContact CD2-CZ3 3.9Å; F48-W91 AromaticContact CG-CH2 3.81Å; F48-W91 HydrophobicContact CG-CH2 3.81Å; F48-W91 HydrophobicContact CG-CZ2 4.19Å; F48-D96 WeakPolarHBondContact CD2-O 3.44Å; F48-D96 WeakPolarHBondContact CE2-O 3.33Å; F48-I113 HydrophobicContact CD1-CG2 4.25Å; F48-I113 HydrophobicContact CD2-CG2 4.4Å; F48-I113 HydrophobicContact CE1-CG2 3.92Å; F48-I113 HydrophobicContact CE2-CB 4.31Å; F48-I113 HydrophobicContact CE2-CG2 4.07Å; F48-I113 HydrophobicContact CG-CG2 4.49Å; F48-I113 HydrophobicContact CZ-CB 4.47Å; F48-I113 HydrophobicContact CZ-CG2 3.82Å; F48-P114 WeakPolarHBondContact CZ-O 3.49Å
49I98.5Very high94.3Very high3 Ų321.4 Ų21.42%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-107.3122.8165-58.6156.4000106.7L27 V44 V51 V63 V64 I66 Y339L27-I49 HydrophobicContact CD1-CD1 4.05Å; L27-I49 HydrophobicContact CD1-CG2 4.39Å; V44-I49 HydrophobicContact CG1-CG1 3.88Å; V44-I49 HydrophobicContact CG2-CG2 4.23Å; I49-V51 HydrophobicContact CG2-CG2 3.98Å; I49-V63 WeakPolarHBondContact O-CA 3.38Å; I49-V64 HydrophobicContact CB-CG2 4.06Å; I49-V64 PolarHBondContact N-O 2.86Å; I49-V64 PolarHBondContact O-N 3.13Å; I49-I66 HydrophobicContact CG1-CG1 4.35Å; I49-Y339 HydrophobicContact CD1-CD1 3.83Å; I49-Y339 HydrophobicContact CD1-CE1 3.34Å; I49-Y339 HydrophobicContact CG1-CD1 3.99Å; I49-Y339 HydrophobicContact CG1-CE1 3.68Å; I49-Y339 HydrophobicContact CG2-CD1 4.38Å
50A98.7Very high94.6Very high0 Ų021.8 Ų21.80%017%0.17CC..EExtended strand (participates in β ladder)trans-111.6135.8171.900000110.7C42 A43 F61 L62 V63 I89 W91 I99C42-A50 VanDerWaalsContact CA-O 3.24Å; C42-A50 WeakPolarHBondContact CA-O 3.29Å; C42-A50 PolarHBondContact SG-O 3.27Å; A43-A50 PolarHBondContact N-O 2.74Å; A43-A50 PolarHBondContact O-N 3.38Å; A50-F61 HydrophobicContact CB-CD2 4.45Å; A50-L62 CarbonylContact C-O 3.58Å; A50-L62 WeakPolarHBondContact CA-O 3.23Å; A50-V63 HydrophobicContact CB-CG2 4.1Å; A50-I89 HydrophobicContact CB-CD1 3.77Å; A50-W91 HydrophobicContact CB-CZ2 3.77Å; A50-I99 HydrophobicContact CB-CD1 3.61Å
51V98.6Very high94.8Very high0 Ų020.3 Ų20.30%016%0.16CC..EExtended strand (participates in β ladder)trans-137.8128-177.4-175.70000109.8V30 V32 I49 I53 F61 L62 L341 V346V30-V51 HydrophobicContact CG1-CB 4.44Å; V30-V51 HydrophobicContact CG1-CG1 4.1Å; V32-V51 HydrophobicContact CG2-CG1 4.06Å; I49-V51 HydrophobicContact CG2-CG2 3.98Å; V51-I53 HydrophobicContact CG1-CG2 4.31Å; V51-I53 PolarHBondContact O-N 2.92Å; V51-F61 CarbonylContact O-C 3.58Å; V51-F61 VanDerWaalsContact O-CA 3.3Å; V51-F61 WeakPolarHBondContact O-CA 3.12Å; V51-F61 WeakPolarHBondContact O-CB 3.32Å; V51-L62 PolarHBondContact N-O 2.67Å; V51-L62 PolarHBondContact O-N 3.02Å; V51-L341 HydrophobicContact CG1-CD1 4.09Å; V51-L341 HydrophobicContact CG1-CD2 3.91Å; V51-L341 HydrophobicContact CG2-CD2 4.06Å; V51-V346 HydrophobicContact CG2-CG2 4.05Å
52I98.4Very high94.8Very high2 Ų220.5 Ų20.51%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-71.1123.1172.1-54.2179.4000108.5S33 L41 V86 I89S33-I52 WeakPolarHBondContact CB-O 3.45Å; S33-I52 PolarHBondContact N-O 3.48Å; L41-I52 HydrophobicContact CD2-CB 4.44Å; L41-I52 HydrophobicContact CD2-CD1 4.05Å; L41-I52 PolarHBondContact O-N 2.6Å; I52-V86 HydrophobicContact CD1-CB 4.46Å; I52-V86 HydrophobicContact CD1-CG1 3.91Å; I52-V86 HydrophobicContact CG1-CG1 4.2Å; I52-V86 HydrophobicContact CG2-CB 4.07Å; I52-V86 WeakPolarHBondContact CG2-O 3.48Å; I52-I89 HydrophobicContact CD1-CG1 4.15Å; I52-I89 HydrophobicContact CD1-CG2 4.28Å; I52-I89 HydrophobicContact CG1-CD1 3.78Å; I52-I89 HydrophobicContact CG1-CG1 3.89Å; I52-I89 HydrophobicContact CG1-CG2 4.08Å
53I97.1Very high94.8Very high23 Ų2320.4 Ų20.412%0.11816%0.16CC..EExtended strand (participates in β ladder)trans-117.4160.6-174.260.3167.4000112V30 R31 V51 T60 L62 T78V30-I53 HydrophobicContact CG1-CG2 3.97Å; R31-I53 CarbonylContact O-C 3.6Å; R31-I53 WeakPolarHBondContact O-CA 3.17Å; R31-I53 WeakPolarHBondContact O-CB 3.22Å; V51-I53 HydrophobicContact CG1-CG2 4.31Å; V51-I53 PolarHBondContact O-N 2.92Å; I53-T60 HydrophobicContact CD1-CG2 3.88Å; I53-T60 HydrophobicContact CG1-CG2 3.98Å; I53-T60 PolarHBondContact N-O 2.72Å; I53-L62 HydrophobicContact CD1-CB 4.38Å; I53-L62 HydrophobicContact CG2-CB 3.97Å; I53-T78 HydrophobicContact CD1-CG2 3.68Å
54E92.8Very high94.8Very high62 Ų6220.1 Ų20.129%0.2916%0.158SC..  trans-70.9133169.9-59.6-167.9122.100111R31 R34R31-E54 HydrophobicContact CB-CB 4.46Å; R31-E54 PolarHBondContact O-N 3.19Å; R34-E54 VanDerWaalsContact CB-OE1 3.24Å; R34-E54 WeakPolarHBondContact CB-OE1 3.28Å; R34-E54 WeakPolarHBondContact CD-OE1 3.46Å; R34-E54 WeakPolarHBondContact CG-OE1 3.42Å; R34-E54 IonicContact CZ-OE2 2.75Å; R34-E54 VanDerWaalsContact NE-CD 3.32Å; R34-E54 IonicContact NE-OE1 2.72Å; R34-E54 PolarHBondContact NE-OE1 3.1Å; R34-E54 IonicContact NE-OE2 3.12Å; R34-E54 PolarHBondContact NE-OE2 3.11Å; R34-E54 IonicContact NH2-OE2 3.68Å
55A85.8Confident94.7Very high45 Ų4522 Ų2237%0.37217%0.17SC..  trans-127.4148.5172.800000110.5G57 T60A55-G57 PolarHBondContact O-N 3.25Å; A55-T60 WeakPolarHBondContact CB-OG1 3.27Å
56G75.4Confident94.6Very high100 Ų10023.8 Ų23.8100%1.03118%0.179SC*.SBendtrans-73.11.8179.200000114.8
57G81.1Confident94.5Very high57 Ų5726.1 Ų26.159%0.58821%0.207SC*.SBendtrans178144.3177.500000109.7A55A55-G57 PolarHBondContact O-N 3.25Å
58G91.5Very high94.4Very high32 Ų3229.6 Ų29.633%0.3322%0.222SC..SBendtrans72.4-162.8-177.100000114.8H82G58-H82 WeakPolarHBondContact CA-O 3.42Å
59G94.5Very high94.4Very high3 Ų331.9 Ų31.93%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-118130.5175.800000112.1H82 A84G59-H82 PolarHBondContact N-O 3.48Å; G59-A84 WeakPolarHBondContact CA-O 3.49Å; G59-A84 PolarHBondContact N-O 3.11Å
60T97.1Very high94.3Very high15 Ų1532.7 Ų32.79%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-137.7144.8-175.3-54.30000111.7I53 A55 T78 V79 C80I53-T60 HydrophobicContact CD1-CG2 3.88Å; I53-T60 HydrophobicContact CG1-CG2 3.98Å; I53-T60 PolarHBondContact N-O 2.72Å; A55-T60 WeakPolarHBondContact CB-OG1 3.27Å; T60-T78 HydrophobicContact CG2-CG2 3.99Å; T60-T78 VanDerWaalsContact CG2-OG1 3.29Å; T60-T78 WeakPolarHBondContact CG2-OG1 3.12Å; T60-V79 VanDerWaalsContact CA-O 3.27Å; T60-V79 WeakPolarHBondContact CA-O 3.4Å; T60-V79 WeakPolarHBondContact CG2-O 3.35Å; T60-C80 HydrophobicContact CG2-CB 4.24Å
61F98.3Very high94.2Very high1 Ų140.7 Ų40.70%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-134.4146.6166.263.6-85.3000111.5A50 V51 V63 V79 V86 I89 I99 W111A50-F61 HydrophobicContact CB-CD2 4.45Å; V51-F61 CarbonylContact O-C 3.58Å; V51-F61 VanDerWaalsContact O-CA 3.3Å; V51-F61 WeakPolarHBondContact O-CA 3.12Å; V51-F61 WeakPolarHBondContact O-CB 3.32Å; F61-V63 HydrophobicContact CD2-CG2 3.59Å; F61-V63 HydrophobicContact CE2-CG2 3.47Å; F61-V63 VanDerWaalsContact CE2-CG2 3.47Å; F61-V79 HydrophobicContact CD1-CB 3.97Å; F61-V79 HydrophobicContact CD1-CG1 4.27Å; F61-V79 HydrophobicContact CD2-CB 4.16Å; F61-V79 HydrophobicContact CD2-CG2 4.19Å; F61-V79 HydrophobicContact CE1-CB 3.54Å; F61-V79 HydrophobicContact CE1-CG1 3.45Å; F61-V79 VanDerWaalsContact CE1-CG1 3.45Å; F61-V79 HydrophobicContact CE1-CG2 4.26Å; F61-V79 HydrophobicContact CE2-CB 3.76Å; F61-V79 HydrophobicContact CE2-CG1 4.26Å; F61-V79 HydrophobicContact CE2-CG2 3.57Å; F61-V79 HydrophobicContact CG-CB 4.26Å; F61-V79 HydrophobicContact CZ-CB 3.44Å; F61-V79 VanDerWaalsContact CZ-CB 3.44Å; F61-V79 HydrophobicContact CZ-CG1 3.45Å; F61-V79 VanDerWaalsContact CZ-CG1 3.45Å; F61-V79 HydrophobicContact CZ-CG2 3.62Å; F61-V79 PolarHBondContact N-O 3.4Å; F61-V79 VanDerWaalsContact N-O 3.1Å; F61-V79 PolarHBondContact O-N 2.77Å; F61-V86 HydrophobicContact CD1-CG2 4.37Å; F61-I89 HydrophobicContact CD1-CG2 4.2Å; F61-I89 HydrophobicContact CD2-CG2 4.5Å; F61-I89 HydrophobicContact CE1-CG2 4.48Å; F61-I89 HydrophobicContact CG-CG2 4.2Å; F61-I99 HydrophobicContact CE2-CD1 4.01Å; F61-I99 HydrophobicContact CE2-CG2 4.13Å; F61-I99 HydrophobicContact CZ-CG2 4.17Å; F61-W111 AromaticContact CE1-NE1 3.84Å; F61-W111 AromaticContact CZ-CD1 3.74Å; F61-W111 HydrophobicContact CZ-CG 4.22Å; F61-W111 AromaticContact CZ-NE1 3.85Å
62L98.3Very high94.1Very high5 Ų541.3 Ų41.33%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-82.9140.6174.6176.565.6000109.3V30 A50 V51 I53 V64 I72 T78V30-L62 HydrophobicContact CG1-CD2 4.02Å; V30-L62 HydrophobicContact CG2-CD2 4.05Å; A50-L62 CarbonylContact C-O 3.58Å; A50-L62 WeakPolarHBondContact CA-O 3.23Å; V51-L62 PolarHBondContact N-O 2.67Å; V51-L62 PolarHBondContact O-N 3.02Å; I53-L62 HydrophobicContact CD1-CB 4.38Å; I53-L62 HydrophobicContact CG2-CB 3.97Å; L62-V64 HydrophobicContact CD1-CG1 3.79Å; L62-V64 HydrophobicContact CD2-CG1 4.17Å; L62-V64 HydrophobicContact CG-CG1 3.94Å; L62-I72 HydrophobicContact CD2-CG1 4.41Å; L62-I72 HydrophobicContact CD2-CG2 4.3Å; L62-T78 HydrophobicContact CD1-CG2 4.27Å
63V98.4Very high93.9Very high3 Ų345.7 Ų45.72%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-131.9120.4168.4-175.40000109F48 I49 A50 F61 V79 W91 I113F48-V63 HydrophobicContact CB-CG1 3.98Å; F48-V63 HydrophobicContact CD1-CG1 4.18Å; F48-V63 HydrophobicContact CG-CG1 4.15Å; I49-V63 WeakPolarHBondContact O-CA 3.38Å; A50-V63 HydrophobicContact CB-CG2 4.1Å; F61-V63 HydrophobicContact CD2-CG2 3.59Å; F61-V63 HydrophobicContact CE2-CG2 3.47Å; F61-V63 VanDerWaalsContact CE2-CG2 3.47Å; V63-V79 HydrophobicContact CG2-CG2 4.04Å; V63-W91 HydrophobicContact CG1-CH2 3.83Å; V63-W91 HydrophobicContact CG1-CZ2 4.09Å; V63-I113 HydrophobicContact CG1-CD1 4.47Å; V63-I113 HydrophobicContact CG1-CG1 4.23Å; V63-I113 HydrophobicContact CG1-CG2 3.83Å; V63-I113 HydrophobicContact CG2-CD1 4.19Å
64V97.9Very high93.5Very high5 Ų551.5 Ų51.53%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-129.2151.5178.3-64.70000110.9L27 F48 I49 L62 K68 I72L27-V64 HydrophobicContact CD1-CG2 3.71Å; L27-V64 HydrophobicContact CD2-CG2 4.48Å; F48-V64 CarbonylContact C-O 3.52Å; F48-V64 VanDerWaalsContact CA-O 3.27Å; F48-V64 WeakPolarHBondContact CA-O 3.25Å; I49-V64 HydrophobicContact CB-CG2 4.06Å; I49-V64 PolarHBondContact N-O 2.86Å; I49-V64 PolarHBondContact O-N 3.13Å; L62-V64 HydrophobicContact CD1-CG1 3.79Å; L62-V64 HydrophobicContact CD2-CG1 4.17Å; L62-V64 HydrophobicContact CG-CG1 3.94Å; V64-K68 HydrophobicContact CB-CB 4.12Å; V64-K68 HydrophobicContact CB-CG 4.21Å; V64-K68 HydrophobicContact CG2-CB 4.29Å; V64-I72 HydrophobicContact CG1-CD1 4.24Å
65P97.2Very high93.4Very high48 Ų4853.2 Ų53.231%0.31235%0.35SS..EExtended strand (participates in β ladder)trans-54.5144.1171.3-26.936.2000112K47 G67 K68 G116K47-P65 CarbonylContact O-C 3.59Å; K47-P65 WeakPolarHBondContact O-CA 3.42Å; P65-G67 PolarHBondContact O-N 3.47Å; P65-G67 VanDerWaalsContact O-N 3.13Å; P65-K68 WeakPolarHBondContact O-CB 3.13Å; P65-K68 PolarHBondContact O-N 3.33Å; P65-G116 WeakPolarHBondContact CG-O 3.36Å
66I95.4Very high93.9Very high42 Ų4252.9 Ų52.922%0.21534%0.344CS..THydrogen-bonded Turntrans-60.3-27.6-175.5-169.1165.2000113.7V44 N45 P46 K47 I49 K68 L323 Y339V44-I66 HydrophobicContact CG1-CD1 4.23Å; N45-I66 WeakPolarHBondContact O-CD1 3.14Å; P46-I66 WeakPolarHBondContact O-CG2 3.08Å; K47-I66 PolarHBondContact O-N 2.91Å; I49-I66 HydrophobicContact CG1-CG1 4.35Å; I66-K68 VanDerWaalsContact C-N 3.35Å; I66-L323 HydrophobicContact CD1-CD1 3.78Å; I66-L323 HydrophobicContact CD1-CD2 4.13Å; I66-Y339 WeakPolarHBondContact CD1-OH 3.28Å; I66-Y339 VanDerWaalsContact CG1-OH 3.24Å; I66-Y339 WeakPolarHBondContact CG1-OH 3.25Å
67G94.1Very high94.9Very high69 Ų6949.3 Ų49.371%0.71130%0.303SS*.THydrogen-bonded Turntrans-85.3-2.3176.200000114.4P65 S69P65-G67 PolarHBondContact O-N 3.47Å; P65-G67 VanDerWaalsContact O-N 3.13Å; G67-S69 PolarHBondContact O-N 2.68Å
68K96.1Very high95.6Very high104 Ų10447.8 Ų47.845%0.45228%0.282SS..  trans-67.1131.7176.9-175.865.1176.8177.50109L27 V64 P65 I66 I72L27-K68 HydrophobicContact CD2-CB 4.25Å; L27-K68 HydrophobicContact CD2-CG 3.94Å; L27-K68 WeakPolarHBondContact CD2-O 3.42Å; V64-K68 HydrophobicContact CB-CB 4.12Å; V64-K68 HydrophobicContact CB-CG 4.21Å; V64-K68 HydrophobicContact CG2-CB 4.29Å; P65-K68 WeakPolarHBondContact O-CB 3.13Å; P65-K68 PolarHBondContact O-N 3.33Å; I66-K68 VanDerWaalsContact C-N 3.35Å; K68-I72 HydrophobicContact CG-CD1 4.18Å
69S96.8Very high95.9Very high50 Ų5046.3 Ų46.335%0.3527%0.267SS..  trans-139.1170.8172.973.70000111.7E24 G67E24-S69 VanDerWaalsContact O-CB 3.26Å; E24-S69 WeakPolarHBondContact O-CB 3.49Å; E24-S69 PolarHBondContact O-OG 2.83Å; G67-S69 PolarHBondContact O-N 2.68Å
70G96.9Very high96Very high21 Ų2148 Ų4822%0.21628%0.278CS..EExtended strand (participates in β ladder)trans84.1-163.3-177.700000113.1C26 L27 D28 I72C26-G70 PolarHBondContact O-N 3.32Å; L27-G70 WeakPolarHBondContact CA-O 3.28Å; D28-G70 PolarHBondContact N-O 2.99Å; G70-I72 PolarHBondContact O-N 3.22Å
71R97.2Very high95.8Very high168 Ų16848.5 Ų48.563%0.63429%0.285SS*.EExtended strand (participates in β ladder)trans-68.6130.2-177.1-170.4176.4-179.2-149.6-2.5111.7D29D29-R71 HydrophobicContact CB-CG 3.88Å; D29-R71 IonicContact OD2-CZ 3.83Å; D29-R71 IonicContact OD2-NE 3.49Å; D29-R71 PolarHBondContact OD2-NE 3.25Å; D29-R71 IonicContact OD2-NH2 3.87Å; D29-R71 PolarHBondContact OD2-NH2 3.05Å
72I96.6Very high95.8Very high12 Ų1248.8 Ų48.86%0.06229%0.287CS..PPolyproline II helixtrans-83.6125.3168.8-63.3-53.8000109.1L27 D28 V30 L62 V64 K68 G70 C76L27-I72 HydrophobicContact CB-CG1 4.41Å; L27-I72 HydrophobicContact CD2-CD1 3.89Å; L27-I72 HydrophobicContact CD2-CG1 4.29Å; D28-I72 PolarHBondContact O-N 3.08Å; V30-I72 HydrophobicContact CG2-CB 4.2Å; V30-I72 HydrophobicContact CG2-CG1 3.68Å; L62-I72 HydrophobicContact CD2-CG1 4.41Å; L62-I72 HydrophobicContact CD2-CG2 4.3Å; V64-I72 HydrophobicContact CG1-CD1 4.24Å; K68-I72 HydrophobicContact CG-CD1 4.18Å; G70-I72 PolarHBondContact O-N 3.22Å; I72-C76 HydrophobicContact CG2-CB 3.73Å
73D93.2Very high95.7Very high95 Ų9552.6 Ų52.651%0.50832%0.319SS..PPolyproline II helixtrans-72.3148.3177.2-169.1-93.1000111.2S75 C76D73-S75 PolarHBondContact O-N 3.27Å; D73-S75 WeakPolarHBondContact OD1-CA 3.46Å; D73-S75 VanDerWaalsContact OD1-CB 3.24Å; D73-S75 WeakPolarHBondContact OD1-CB 3.34Å; D73-S75 PolarHBondContact OD1-N 3.19Å; D73-S75 PolarHBondContact OD1-OG 3.24Å; D73-C76 WeakPolarHBondContact O-CB 3.46Å; D73-C76 PolarHBondContact O-N 3Å
74Q88.7Confident95.7Very high145 Ų14553.5 Ų53.568%0.67833%0.327SS*.THydrogen-bonded Turntrans-64.9-24.4178.8-67.1-176.84.900113.2C76Q74-C76 VanDerWaalsContact C-N 3.28Å
75S91.9Very high95.6Very high98 Ų9855.3 Ų55.369%0.68534%0.339SS*.THydrogen-bonded Turntrans-83.80.3174.469.70000113.5D73 P77D73-S75 PolarHBondContact O-N 3.27Å; D73-S75 WeakPolarHBondContact OD1-CA 3.46Å; D73-S75 VanDerWaalsContact OD1-CB 3.24Å; D73-S75 WeakPolarHBondContact OD1-CB 3.34Å; D73-S75 PolarHBondContact OD1-N 3.19Å; D73-S75 PolarHBondContact OD1-OG 3.24Å; S75-P77 WeakPolarHBondContact O-CD 3.39Å
76C94.6Very high95.7Very high37 Ų3753.1 Ų53.125%0.2533%0.325CS..  trans-55125.3178.8-173.50000110I72 D73 Q74I72-C76 HydrophobicContact CG2-CB 3.73Å; D73-C76 WeakPolarHBondContact O-CB 3.46Å; D73-C76 PolarHBondContact O-N 3Å; Q74-C76 VanDerWaalsContact C-N 3.28Å
77P96.5Very high95.8Very high25 Ų2551.2 Ų51.216%0.16232%0.315CS..  trans-56142.8177.8-31.238.8000113.2S75 L118S75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-L118 HydrophobicContact CB-CB 3.63Å
78T97.2Very high96Very high25 Ų2548.8 Ų48.815%0.15329%0.285CS..EExtended strand (participates in β ladder)trans-134.3165.3-178.154.10000110.5I53 T60 L62 P121 M122I53-T78 HydrophobicContact CD1-CG2 3.68Å; T60-T78 HydrophobicContact CG2-CG2 3.99Å; T60-T78 VanDerWaalsContact CG2-OG1 3.29Å; T60-T78 WeakPolarHBondContact CG2-OG1 3.12Å; L62-T78 HydrophobicContact CD1-CG2 4.27Å; T78-P121 CarbonylContact O-C 3.53Å; T78-P121 WeakPolarHBondContact O-CA 3.26Å; T78-M122 PolarHBondContact O-N 3.38Å
79V98.2Very high96.2Very high1 Ų144 Ų441%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-90.1120.1169.6-174.50000108.2T60 F61 V63 W111 I113 L118 M122T60-V79 VanDerWaalsContact CA-O 3.27Å; T60-V79 WeakPolarHBondContact CA-O 3.4Å; T60-V79 WeakPolarHBondContact CG2-O 3.35Å; F61-V79 HydrophobicContact CD1-CB 3.97Å; F61-V79 HydrophobicContact CD1-CG1 4.27Å; F61-V79 HydrophobicContact CD2-CB 4.16Å; F61-V79 HydrophobicContact CD2-CG2 4.19Å; F61-V79 HydrophobicContact CE1-CB 3.54Å; F61-V79 HydrophobicContact CE1-CG1 3.45Å; F61-V79 VanDerWaalsContact CE1-CG1 3.45Å; F61-V79 HydrophobicContact CE1-CG2 4.26Å; F61-V79 HydrophobicContact CE2-CB 3.76Å; F61-V79 HydrophobicContact CE2-CG1 4.26Å; F61-V79 HydrophobicContact CE2-CG2 3.57Å; F61-V79 HydrophobicContact CG-CB 4.26Å; F61-V79 HydrophobicContact CZ-CB 3.44Å; F61-V79 VanDerWaalsContact CZ-CB 3.44Å; F61-V79 HydrophobicContact CZ-CG1 3.45Å; F61-V79 VanDerWaalsContact CZ-CG1 3.45Å; F61-V79 HydrophobicContact CZ-CG2 3.62Å; F61-V79 PolarHBondContact N-O 3.4Å; F61-V79 VanDerWaalsContact N-O 3.1Å; F61-V79 PolarHBondContact O-N 2.77Å; V63-V79 HydrophobicContact CG2-CG2 4.04Å; V79-W111 HydrophobicContact CG1-CD2 3.41Å; V79-W111 VanDerWaalsContact CG1-CD2 3.41Å; V79-W111 HydrophobicContact CG1-CE3 3.48Å; V79-W111 VanDerWaalsContact CG1-CE3 3.48Å; V79-W111 HydrophobicContact CG1-CG 4.04Å; V79-W111 HydrophobicContact CG1-CH2 3.84Å; V79-W111 HydrophobicContact CG1-CZ2 3.76Å; V79-W111 HydrophobicContact CG1-CZ3 3.69Å; V79-I113 HydrophobicContact CG2-CD1 4.09Å; V79-L118 HydrophobicContact CG2-CD1 3.79Å; V79-M122 CarbonylContact C-O 3.54Å; V79-M122 WeakPolarHBondContact CA-O 3.48Å; V79-M122 HydrophobicContact CG2-CB 4.39Å; V79-M122 HydrophobicContact CG2-SD 4.35Å
80C94.8Very high96.3Very high39 Ų3944.8 Ų44.826%0.26426%0.263SS..EExtended strand (participates in β ladder)trans-142.438.8-16455.80000114.5T60 M122T60-C80 HydrophobicContact CG2-CB 4.24Å; C80-M122 PolarHBondContact N-O 3Å
81G93.5Very high96.3Very high25 Ų2544.7 Ų44.726%0.25826%0.256SS..EExtended strand (participates in β ladder)trans-98.95.2177.500000116.5K109 T123G81-K109 VanDerWaalsContact O-CE 3.3Å; G81-K109 WeakPolarHBondContact O-CE 3.44Å; G81-T123 WeakPolarHBondContact CA-O 3.39Å
82H97.9Very high96.4Very high8 Ų836.9 Ų36.94%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-88.4141.9174.2-83.6-70000111.8G58 G59 V86 S101 S103 D105 T107G58-H82 WeakPolarHBondContact CA-O 3.42Å; G59-H82 PolarHBondContact N-O 3.48Å; H82-V86 HydrophobicContact CB-CG2 4.26Å; H82-S101 PolarHBondContact CD2-OG 3.48Å; H82-S101 PolarHBondContact NE2-OG 3.14Å; H82-S103 VanDerWaalsContact CE1-CB 3.43Å; H82-S103 WeakPolarHBondContact CE1-CB 3.38Å; H82-S103 WeakPolarHBondContact ND1-CB 3.28Å; H82-D105 WeakPolarHBondContact CA-OD2 3.38Å; H82-D105 WeakPolarHBondContact CB-OD2 3.48Å; H82-D105 IonicContact CE1-OD1 3.26Å; H82-D105 IonicContact CE1-OD2 3.16Å; H82-D105 IonicContact CG-OD2 3.63Å; H82-D105 IonicContact ND1-OD1 3.05Å; H82-D105 PolarHBondContact ND1-OD1 3.3Å; H82-D105 IonicContact ND1-OD2 2.95Å; H82-D105 PolarHBondContact ND1-OD2 3.47Å; H82-T107 PolarHBondContact CE1-OG1 2.8Å; H82-T107 PolarHBondContact ND1-OG1 2.53Å
83A97Very high96.4Very high85 Ų8538.2 Ų38.270%0.70224%0.237SC*.SBendtrans-84.2-12.1-17900000113.3D105A83-D105 HydrophobicContact CB-CB 4.08Å; A83-D105 PolarHBondContact N-OD2 2.9Å
84A97.2Very high96.5Very high22 Ų2234.5 Ų34.518%0.18222%0.216CC..SBendtrans-145.8169.5178.300000110.6G59 V86 S103 E104 D105G59-A84 WeakPolarHBondContact CA-O 3.49Å; G59-A84 PolarHBondContact N-O 3.11Å; A84-V86 PolarHBondContact O-N 3.07Å; A84-S103 PolarHBondContact O-OG 2.91Å; A84-E104 HydrophobicContact CB-CB 3.76Å; A84-D105 HydrophobicContact CB-CB 3.92Å
85P97.5Very high96.8Very high42 Ų4228.6 Ų28.627%0.27319%0.189SC..  trans-51137.8-173.2-29.335.5000114.7V35 S103 E104V35-P85 HydrophobicContact CG2-CB 3.84Å; V35-P85 HydrophobicContact CG2-CG 4.43Å; P85-S103 WeakPolarHBondContact O-CA 3.34Å; P85-S103 PolarHBondContact O-OG 2.82Å; P85-S103 VanDerWaalsContact O-OG 3.08Å; P85-E104 HydrophobicContact CB-CG 4.39Å; P85-E104 WeakPolarHBondContact CD-OE2 3.21Å; P85-E104 PolarHBondContact O-N 3.01Å
86V98.4Very high97Very high3 Ų324.1 Ų24.12%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-76.5132.1172-1780000108.7I52 F61 H82 A84 D88 I89 A102I52-V86 HydrophobicContact CD1-CB 4.46Å; I52-V86 HydrophobicContact CD1-CG1 3.91Å; I52-V86 HydrophobicContact CG1-CG1 4.2Å; I52-V86 HydrophobicContact CG2-CB 4.07Å; I52-V86 WeakPolarHBondContact CG2-O 3.48Å; F61-V86 HydrophobicContact CD1-CG2 4.37Å; H82-V86 HydrophobicContact CB-CG2 4.26Å; A84-V86 PolarHBondContact O-N 3.07Å; V86-D88 WeakPolarHBondContact CG1-O 3.16Å; V86-I89 HydrophobicContact CG1-CG2 3.72Å; V86-A102 CarbonylContact C-O 3.52Å; V86-A102 WeakPolarHBondContact CA-O 3.41Å; V86-A102 WeakPolarHBondContact CG1-O 3.14Å
87L98.1Very high97.1Very high1 Ų122.4 Ų22.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-104.6-32.6-176.9-63.3-173.3000112.7V35 W37 A102 E104 R135 V136V35-L87 HydrophobicContact CG1-CD2 3.68Å; W37-L87 HydrophobicContact CB-CD2 4.14Å; W37-L87 HydrophobicContact CD2-CB 4.31Å; W37-L87 HydrophobicContact CD2-CD1 4.11Å; W37-L87 HydrophobicContact CD2-CD2 4.24Å; W37-L87 HydrophobicContact CD2-CG 4.47Å; W37-L87 HydrophobicContact CE3-CD1 4.08Å; W37-L87 HydrophobicContact CE3-CD2 4.41Å; W37-L87 HydrophobicContact CG-CB 4.2Å; W37-L87 HydrophobicContact CG-CD2 4.12Å; W37-L87 HydrophobicContact CH2-CD1 4.38Å; W37-L87 HydrophobicContact CZ2-CD1 4.41Å; W37-L87 HydrophobicContact CZ3-CD1 4.21Å; L87-A102 PolarHBondContact N-O 3.34Å; L87-E104 HydrophobicContact CD1-CG 3.8Å; L87-E104 HydrophobicContact CD2-CG 3.79Å; L87-E104 HydrophobicContact CG-CG 3.85Å; L87-R135 HydrophobicContact CD1-CB 4.01Å; L87-R135 HydrophobicContact CD1-CG 4.16Å; L87-V136 WeakPolarHBondContact CD1-O 3.45Å
88D98.6Very high97.1Very high18 Ų1821.4 Ų21.410%0.09614%0.139CC..EExtended strand (participates in β ladder)trans-146.9150.3-179.9-160.413.8000111.7V86 S101 A102 L139V86-D88 WeakPolarHBondContact CG1-O 3.16Å; D88-S101 WeakPolarHBondContact O-CA 3.46Å; D88-A102 HydrophobicContact CB-CB 4.33Å; D88-A102 PolarHBondContact N-O 2.87Å; D88-A102 PolarHBondContact O-N 3.48Å; D88-L139 HydrophobicContact CB-CD1 4.38Å; D88-L139 HydrophobicContact CB-CG 4.35Å; D88-L139 PolarHBondContact OD2-N 3.32Å
89I98.8Very high97.2Very high4 Ų420.2 Ų20.22%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-142.1137.1176.453.6172.8000109.8A43 A50 I52 F61 V86 I99 A100A43-I89 HydrophobicContact CB-CD1 4.24Å; A43-I89 HydrophobicContact CB-CG1 4.03Å; A43-I89 WeakPolarHBondContact CB-O 3.36Å; A50-I89 HydrophobicContact CB-CD1 3.77Å; I52-I89 HydrophobicContact CD1-CG1 4.15Å; I52-I89 HydrophobicContact CD1-CG2 4.28Å; I52-I89 HydrophobicContact CG1-CD1 3.78Å; I52-I89 HydrophobicContact CG1-CG1 3.89Å; I52-I89 HydrophobicContact CG1-CG2 4.08Å; F61-I89 HydrophobicContact CD1-CG2 4.2Å; F61-I89 HydrophobicContact CD2-CG2 4.5Å; F61-I89 HydrophobicContact CE1-CG2 4.48Å; F61-I89 HydrophobicContact CG-CG2 4.2Å; V86-I89 HydrophobicContact CG1-CG2 3.72Å; I89-I99 HydrophobicContact CB-CD1 4.18Å; I89-A100 VanDerWaalsContact CA-O 3.28Å; I89-A100 WeakPolarHBondContact CA-O 3.48Å
90Q98.6Very high97.2Very high66 Ų6620.2 Ų20.231%0.30813%0.132SC..EExtended strand (participates in β ladder)trans-147.1129.4179.5-158.8-175.626.800111.7I99 A100 L139 A140 W141Q90-I99 WeakPolarHBondContact O-CG1 3.27Å; Q90-A100 PolarHBondContact N-O 2.8Å; Q90-A100 PolarHBondContact O-N 2.8Å; Q90-L139 HydrophobicContact CB-CB 4.2Å; Q90-L139 PolarHBondContact OE1-O 2.81Å; Q90-A140 VanDerWaalsContact OE1-CA 3.22Å; Q90-W141 PolarHBondContact O-NE1 2.92Å
91W98.5Very high97.4Very high19 Ų1918.3 Ų18.37%0.07212%0.119CC..EExtended strand (participates in β ladder)trans-68.9142.3172-66.5105.6000110.7A43 N45 F48 A50 V63 I99 I113A43-W91 VanDerWaalsContact C-NE1 3.26Å; A43-W91 PolarHBondContact O-NE1 2.86Å; N45-W91 HydrophobicContact CB-CB 4.21Å; N45-W91 HydrophobicContact CB-CD2 4.28Å; N45-W91 HydrophobicContact CB-CG 3.88Å; N45-W91 VanDerWaalsContact ND2-CD2 3.32Å; N45-W91 VanDerWaalsContact ND2-CE3 3.28Å; F48-W91 HydrophobicContact CB-CH2 3.53Å; F48-W91 HydrophobicContact CB-CZ2 3.37Å; F48-W91 AromaticContact CD2-CH2 3.6Å; F48-W91 HydrophobicContact CD2-CH2 3.6Å; F48-W91 HydrophobicContact CD2-CZ2 4.28Å; F48-W91 AromaticContact CD2-CZ3 3.9Å; F48-W91 HydrophobicContact CD2-CZ3 3.9Å; F48-W91 AromaticContact CG-CH2 3.81Å; F48-W91 HydrophobicContact CG-CH2 3.81Å; F48-W91 HydrophobicContact CG-CZ2 4.19Å; A50-W91 HydrophobicContact CB-CZ2 3.77Å; V63-W91 HydrophobicContact CG1-CH2 3.83Å; V63-W91 HydrophobicContact CG1-CZ2 4.09Å; W91-I99 HydrophobicContact CD2-CB 4.09Å; W91-I99 HydrophobicContact CD2-CD1 4.03Å; W91-I99 HydrophobicContact CD2-CG1 4.18Å; W91-I99 HydrophobicContact CE3-CB 3.63Å; W91-I99 HydrophobicContact CE3-CD1 4.36Å; W91-I99 HydrophobicContact CE3-CG1 4.24Å; W91-I99 HydrophobicContact CH2-CB 4.24Å; W91-I99 HydrophobicContact CH2-CD1 4.22Å; W91-I99 HydrophobicContact CH2-CG2 4.42Å; W91-I99 HydrophobicContact CZ2-CD1 3.88Å; W91-I99 HydrophobicContact CZ3-CB 3.72Å; W91-I99 HydrophobicContact CZ3-CD1 4.45Å; W91-I99 HydrophobicContact CZ3-CG2 4.14Å; W91-I113 HydrophobicContact CH2-CB 4.45Å; W91-I113 HydrophobicContact CH2-CG1 3.84Å; W91-I113 HydrophobicContact CZ3-CB 4.47Å; W91-I113 HydrophobicContact CZ3-CG1 3.91Å
92C97.8Very high97.7Very high4 Ų417.1 Ų17.13%0.02711%0.107CC..  trans-63.1131.9169.4179.30000109.5H94 I98 W141C92-H94 PolarHBondContact O-N 3.19Å; C92-H94 PolarHBondContact SG-N 2.84Å; C92-H94 VanDerWaalsContact SG-N 3.4Å; C92-I98 HydrophobicContact CB-CB 3.79Å; C92-I98 HydrophobicContact CB-CG2 3.94Å; C92-I98 WeakPolarHBondContact CB-O 3.35Å; C92-I98 PolarHBondContact N-O 3.43Å; C92-W141 HydrophobicContact CB-CD2 4.28Å; C92-W141 HydrophobicContact CB-CH2 4.43Å; C92-W141 HydrophobicContact CB-CZ2 4.13Å
93P96.4Very high97.7Very high41 Ų4116.8 Ų16.827%0.26611%0.105SC..SBendtrans-68.8-20.7177.726.4-32.6000112.7W141 H142 L371P93-W141 HydrophobicContact CG-CB 4.02Å; P93-H142 WeakPolarHBondContact CG-O 3.25Å; P93-L371 WeakPolarHBondContact O-CD2 3.33Å
94H95.8Very high97.7Very high17 Ų1715.6 Ų15.68%0.0799%0.085CC..SBendtrans-103.2-8.1-174.8-43.4117.3000114.6C92 H142 P143 A145 F146 L371C92-H94 PolarHBondContact O-N 3.19Å; C92-H94 PolarHBondContact SG-N 2.84Å; C92-H94 VanDerWaalsContact SG-N 3.4Å; H94-H142 PolarHBondContact CE1-O 2.87Å; H94-P143 PolarHBondContact NE2-O 3.4Å; H94-A145 PolarHBondContact CE1-O 3.41Å; H94-A145 VanDerWaalsContact CE1-O 3.29Å; H94-F146 HydrophobicContact CB-CD2 4.11Å; H94-F146 HydrophobicContact CB-CE2 4.32Å; H94-L371 WeakPolarHBondContact CA-O 3.44Å; H94-L371 VanDerWaalsContact CB-O 3.24Å; H94-L371 WeakPolarHBondContact CB-O 3.43Å
95D95.1Very high97.8Very high21 Ų2116.1 Ų16.111%0.1129%0.085CC..  trans-148112.4176.6-169.1-29.7000110.6N97 I98D95-N97 PolarHBondContact O-N 3.33Å; D95-N97 WeakPolarHBondContact OD1-CB 3.41Å; D95-N97 PolarHBondContact OD1-N 2.87Å; D95-I98 HydrophobicContact CB-CB 4.15Å; D95-I98 HydrophobicContact CB-CG1 3.78Å; D95-I98 PolarHBondContact O-N 3.12Å; D95-I98 VanDerWaalsContact O-N 3.12Å
96D96.1Very high97.8Very high3 Ų315.8 Ų15.82%0.0168%0.083CC..THydrogen-bonded Turntrans-68.8-3.5-178.2-69.5-30.8000113.3N45 P46 K47 F48 R326 Y397N45-D96 VanDerWaalsContact ND2-C 3.32Å; N45-D96 VanDerWaalsContact ND2-CA 3.28Å; N45-D96 WeakPolarHBondContact ND2-CA 3.15Å; N45-D96 PolarHBondContact ND2-O 3.07Å; P46-D96 WeakPolarHBondContact CD-OD1 3.38Å; K47-D96 HydrophobicContact CD-CB 3.49Å; K47-D96 VanDerWaalsContact CD-CB 3.49Å; K47-D96 HydrophobicContact CG-CB 3.97Å; F48-D96 WeakPolarHBondContact CD2-O 3.44Å; F48-D96 WeakPolarHBondContact CE2-O 3.33Å; D96-R326 VanDerWaalsContact CG-NH1 3.28Å; D96-R326 IonicContact OD1-CZ 3.64Å; D96-R326 IonicContact OD1-NH1 3.5Å; D96-R326 PolarHBondContact OD1-NH1 3.34Å; D96-R326 IonicContact OD1-NH2 2.6Å; D96-R326 PolarHBondContact OD1-NH2 3.45Å; D96-R326 IonicContact OD2-CZ 2.81Å; D96-R326 IonicContact OD2-NH1 2.69Å; D96-R326 PolarHBondContact OD2-NH1 2.77Å; D96-Y397 PolarHBondContact OD2-OH 3.29Å
97N96.8Very high97.8Very high2 Ų216.5 Ų16.51%0.0119%0.088CC..THydrogen-bonded Turntrans-105.2-5175.3-68.284.4000113K47 D95 Q112 I113 D115K47-N97 PolarHBondContact NZ-OD1 2.83Å; D95-N97 PolarHBondContact O-N 3.33Å; D95-N97 WeakPolarHBondContact OD1-CB 3.41Å; D95-N97 PolarHBondContact OD1-N 2.87Å; N97-Q112 CarbonylContact O-C 3.59Å; N97-Q112 WeakPolarHBondContact O-CA 3.39Å; N97-I113 WeakPolarHBondContact CB-O 3.43Å; N97-I113 PolarHBondContact ND2-O 2.93Å; N97-I113 PolarHBondContact O-N 2.99Å; N97-D115 PolarHBondContact ND2-OD1 2.73Å
98I97.6Very high97.9Very high4 Ų416.6 Ų16.62%0.0219%0.088CC..EExtended strand (participates in β ladder)trans-103.8127.7-178.9-59.1-65.6000110.6C92 D95 V110 W111 Q112 I126 W141C92-I98 HydrophobicContact CB-CB 3.79Å; C92-I98 HydrophobicContact CB-CG2 3.94Å; C92-I98 WeakPolarHBondContact CB-O 3.35Å; C92-I98 PolarHBondContact N-O 3.43Å; D95-I98 HydrophobicContact CB-CB 4.15Å; D95-I98 HydrophobicContact CB-CG1 3.78Å; D95-I98 PolarHBondContact O-N 3.12Å; D95-I98 VanDerWaalsContact O-N 3.12Å; I98-V110 HydrophobicContact CG2-CG1 3.57Å; I98-W111 WeakPolarHBondContact CA-O 3.36Å; I98-Q112 HydrophobicContact CD1-CB 3.84Å; I98-Q112 HydrophobicContact CD1-CG 4.06Å; I98-I126 HydrophobicContact CD1-CD1 3.64Å; I98-W141 HydrophobicContact CG2-CH2 4.15Å; I98-W141 HydrophobicContact CG2-CZ2 4.1Å
99I98.7Very high97.9Very high0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans-129.6139.5175.1-169.6170.5000110.2A50 F61 I89 Q90 W91 V110 W111 I113A50-I99 HydrophobicContact CB-CD1 3.61Å; F61-I99 HydrophobicContact CE2-CD1 4.01Å; F61-I99 HydrophobicContact CE2-CG2 4.13Å; F61-I99 HydrophobicContact CZ-CG2 4.17Å; I89-I99 HydrophobicContact CB-CD1 4.18Å; Q90-I99 WeakPolarHBondContact O-CG1 3.27Å; W91-I99 HydrophobicContact CD2-CB 4.09Å; W91-I99 HydrophobicContact CD2-CD1 4.03Å; W91-I99 HydrophobicContact CD2-CG1 4.18Å; W91-I99 HydrophobicContact CE3-CB 3.63Å; W91-I99 HydrophobicContact CE3-CD1 4.36Å; W91-I99 HydrophobicContact CE3-CG1 4.24Å; W91-I99 HydrophobicContact CH2-CB 4.24Å; W91-I99 HydrophobicContact CH2-CD1 4.22Å; W91-I99 HydrophobicContact CH2-CG2 4.42Å; W91-I99 HydrophobicContact CZ2-CD1 3.88Å; W91-I99 HydrophobicContact CZ3-CB 3.72Å; W91-I99 HydrophobicContact CZ3-CD1 4.45Å; W91-I99 HydrophobicContact CZ3-CG2 4.14Å; I99-V110 WeakPolarHBondContact O-CA 3.18Å; I99-W111 HydrophobicContact CG2-CB 3.86Å; I99-W111 HydrophobicContact CG2-CG 4.33Å; I99-W111 PolarHBondContact N-O 3.16Å; I99-W111 PolarHBondContact O-N 2.94Å; I99-I113 HydrophobicContact CG2-CD1 4.09Å; I99-I113 HydrophobicContact CG2-CG1 3.97Å
100A98.8Very high97.9Very high0 Ų016.8 Ų16.80%09%0.088CC..EExtended strand (participates in β ladder)trans-100.7147.3169.100000110.4I89 Q90 K109 V110 L139 W141 L149I89-A100 VanDerWaalsContact CA-O 3.28Å; I89-A100 WeakPolarHBondContact CA-O 3.48Å; Q90-A100 PolarHBondContact N-O 2.8Å; Q90-A100 PolarHBondContact O-N 2.8Å; A100-K109 CarbonylContact C-O 3.55Å; A100-K109 WeakPolarHBondContact CA-O 3.4Å; A100-V110 HydrophobicContact CB-CG2 4.28Å; A100-L139 HydrophobicContact CB-CD1 3.91Å; A100-L139 WeakPolarHBondContact O-CD1 3.48Å; A100-W141 HydrophobicContact CB-CZ2 3.72Å; A100-L149 HydrophobicContact CB-CD2 3.86Å
101S98.8Very high97.8Very high0 Ų013.6 Ų13.60%07%0.073CC..EExtended strand (participates in β ladder)trans-131.9140.5172.261.70000111.4H82 D88 V108 K109 W111H82-S101 PolarHBondContact CD2-OG 3.48Å; H82-S101 PolarHBondContact NE2-OG 3.14Å; D88-S101 WeakPolarHBondContact O-CA 3.46Å; S101-V108 CarbonylContact O-C 3.45Å; S101-V108 VanDerWaalsContact O-CA 3.29Å; S101-V108 WeakPolarHBondContact O-CA 3.5Å; S101-V108 WeakPolarHBondContact O-CG1 3.22Å; S101-K109 PolarHBondContact N-O 3.09Å; S101-K109 PolarHBondContact O-N 2.82Å; S101-W111 PolarHBondContact OG-NE1 2.9Å
102A98.6Very high97.7Very high0 Ų014.8 Ų14.80%08%0.079CC..EExtended strand (participates in β ladder)trans-117.6141.9177.500000110.3V86 L87 D88 V108 V136 L139V86-A102 CarbonylContact C-O 3.52Å; V86-A102 WeakPolarHBondContact CA-O 3.41Å; V86-A102 WeakPolarHBondContact CG1-O 3.14Å; L87-A102 PolarHBondContact N-O 3.34Å; D88-A102 HydrophobicContact CB-CB 4.33Å; D88-A102 PolarHBondContact N-O 2.87Å; D88-A102 PolarHBondContact O-N 3.48Å; A102-V108 HydrophobicContact CB-CG2 4.04Å; A102-V136 CarbonylContact C-O 3.56Å; A102-V136 HydrophobicContact CB-CB 3.98Å; A102-V136 HydrophobicContact CB-CG1 3.88Å; A102-V136 WeakPolarHBondContact CB-O 3.24Å; A102-L139 HydrophobicContact CB-CD1 4.04Å; A102-L139 HydrophobicContact CB-CD2 3.89Å; A102-L139 HydrophobicContact CB-CG 3.81Å
103S98.4Very high97.7Very high0 Ų014.6 Ų14.60%08%0.078CC..EExtended strand (participates in β ladder)trans-136.3162.7-169.4171.80000114.3H82 A84 P85 D105 C106 T107 V136H82-S103 VanDerWaalsContact CE1-CB 3.43Å; H82-S103 WeakPolarHBondContact CE1-CB 3.38Å; H82-S103 WeakPolarHBondContact ND1-CB 3.28Å; A84-S103 PolarHBondContact O-OG 2.91Å; P85-S103 WeakPolarHBondContact O-CA 3.34Å; P85-S103 PolarHBondContact O-OG 2.82Å; P85-S103 VanDerWaalsContact O-OG 3.08Å; S103-D105 VanDerWaalsContact CB-OD1 3.27Å; S103-D105 WeakPolarHBondContact CB-OD1 3.4Å; S103-D105 PolarHBondContact O-N 3.13Å; S103-D105 PolarHBondContact OG-N 2.81Å; S103-D105 PolarHBondContact OG-OD1 3.08Å; S103-D105 PolarHBondContact OG-OD2 2.78Å; S103-C106 PolarHBondContact O-N 3.34Å; S103-T107 PolarHBondContact N-O 2.64Å; S103-V136 PolarHBondContact N-O 2.73Å; S103-V136 PolarHBondContact O-N 3.43Å
104E97.9Very high97.6Very high60 Ų6015.4 Ų15.428%0.288%0.084SC..THydrogen-bonded Turntrans-60.6-16.7165-65.4-160.9142.300114.5A84 P85 L87 C106 R135A84-E104 HydrophobicContact CB-CB 3.76Å; P85-E104 HydrophobicContact CB-CG 4.39Å; P85-E104 WeakPolarHBondContact CD-OE2 3.21Å; P85-E104 PolarHBondContact O-N 3.01Å; L87-E104 HydrophobicContact CD1-CG 3.8Å; L87-E104 HydrophobicContact CD2-CG 3.79Å; L87-E104 HydrophobicContact CG-CG 3.85Å; E104-C106 PolarHBondContact O-N 3.28Å; E104-R135 HydrophobicContact CB-CB 4.24Å; E104-R135 HydrophobicContact CG-CB 4.17Å; E104-R135 IonicContact OE1-CZ 2.79Å; E104-R135 IonicContact OE1-NH1 3.86Å; E104-R135 PolarHBondContact OE1-NH1 2.9Å
105D97.9Very high97.5Very high34 Ų3417.8 Ų17.818%0.18210%0.097CC..THydrogen-bonded Turntrans-777.9175.568.119.2000113.6H82 A83 A84 S103 T107H82-D105 WeakPolarHBondContact CA-OD2 3.38Å; H82-D105 WeakPolarHBondContact CB-OD2 3.48Å; H82-D105 IonicContact CE1-OD1 3.26Å; H82-D105 IonicContact CE1-OD2 3.16Å; H82-D105 IonicContact CG-OD2 3.63Å; H82-D105 IonicContact ND1-OD1 3.05Å; H82-D105 PolarHBondContact ND1-OD1 3.3Å; H82-D105 IonicContact ND1-OD2 2.95Å; H82-D105 PolarHBondContact ND1-OD2 3.47Å; A83-D105 HydrophobicContact CB-CB 4.08Å; A83-D105 PolarHBondContact N-OD2 2.9Å; A84-D105 HydrophobicContact CB-CB 3.92Å; S103-D105 VanDerWaalsContact CB-OD1 3.27Å; S103-D105 WeakPolarHBondContact CB-OD1 3.4Å; S103-D105 PolarHBondContact O-N 3.13Å; S103-D105 PolarHBondContact OG-N 2.81Å; S103-D105 PolarHBondContact OG-OD1 3.08Å; S103-D105 PolarHBondContact OG-OD2 2.78Å; D105-T107 PolarHBondContact O-N 2.98Å; D105-T107 WeakPolarHBondContact OD1-CB 3.14Å; D105-T107 PolarHBondContact OD1-N 3.46Å; D105-T107 PolarHBondContact OD1-OG1 2.79Å
106C98.6Very high97.2Very high35 Ų3520 Ų2024%0.23612%0.124CC..SBendtrans68.86.6179.6-46.50000114.5S103 E104 H132 K134S103-C106 PolarHBondContact O-N 3.34Å; E104-C106 PolarHBondContact O-N 3.28Å; C106-H132 WeakPolarHBondContact CB-O 3.31Å; C106-K134 WeakPolarHBondContact SG-CA 3.24Å
107T98.6Very high97.1Very high18 Ų1820 Ų2011%0.1113%0.125CC..EExtended strand (participates in β ladder)trans-105.1155.2178.473.80000112.1H82 S103 D105 T128 E130H82-T107 PolarHBondContact CE1-OG1 2.8Å; H82-T107 PolarHBondContact ND1-OG1 2.53Å; S103-T107 PolarHBondContact N-O 2.64Å; D105-T107 PolarHBondContact O-N 2.98Å; D105-T107 WeakPolarHBondContact OD1-CB 3.14Å; D105-T107 PolarHBondContact OD1-N 3.46Å; D105-T107 PolarHBondContact OD1-OG1 2.79Å; T107-T128 HydrophobicContact CG2-CG2 4.28Å; T107-E130 HydrophobicContact CG2-CG 4.24Å
108V98.9Very high97.1Very high2 Ų221 Ų211%0.01213%0.13CC..EExtended strand (participates in β ladder)trans-113.9133.3163.1174.20000108.4S101 A102 L129 V136 L139 L149 T151S101-V108 CarbonylContact O-C 3.45Å; S101-V108 VanDerWaalsContact O-CA 3.29Å; S101-V108 WeakPolarHBondContact O-CA 3.5Å; S101-V108 WeakPolarHBondContact O-CG1 3.22Å; A102-V108 HydrophobicContact CB-CG2 4.04Å; V108-L129 HydrophobicContact CB-CB 4.2Å; V108-L129 HydrophobicContact CB-CD1 4.34Å; V108-L129 HydrophobicContact CG1-CD1 4.08Å; V108-L129 PolarHBondContact N-O 2.85Å; V108-L129 VanDerWaalsContact N-O 3.09Å; V108-L129 PolarHBondContact O-N 3.21Å; V108-V136 HydrophobicContact CG2-CB 4.1Å; V108-V136 HydrophobicContact CG2-CG1 3.67Å; V108-V136 HydrophobicContact CG2-CG2 4.32Å; V108-L139 HydrophobicContact CG1-CD2 3.75Å; V108-L139 HydrophobicContact CG2-CD2 4.07Å; V108-L149 HydrophobicContact CG1-CD2 4.06Å; V108-T151 HydrophobicContact CB-CG2 4.31Å; V108-T151 HydrophobicContact CG1-CG2 4.19Å; V108-T151 HydrophobicContact CG2-CG2 3.78Å
109K98.8Very high97Very high26 Ų2627.1 Ų27.111%0.11317%0.168CC..EExtended strand (participates in β ladder)trans-121.8141.3-179.1-69.7178.8-174.2-72.60110.3G81 A100 S101 W111 P125 V127 T128G81-K109 VanDerWaalsContact O-CE 3.3Å; G81-K109 WeakPolarHBondContact O-CE 3.44Å; A100-K109 CarbonylContact C-O 3.55Å; A100-K109 WeakPolarHBondContact CA-O 3.4Å; S101-K109 PolarHBondContact N-O 3.09Å; S101-K109 PolarHBondContact O-N 2.82Å; K109-W111 HydrophobicContact CB-CH2 4.26Å; K109-W111 HydrophobicContact CB-CZ2 3.41Å; K109-W111 VanDerWaalsContact CB-CZ2 3.41Å; K109-W111 HydrophobicContact CD-CH2 3.79Å; K109-W111 HydrophobicContact CD-CZ2 3.54Å; K109-W111 HydrophobicContact CG-CZ2 4.08Å; K109-W111 PolarHBondContact O-NE1 2.82Å; K109-P125 HydrophobicContact CB-CB 3.9Å; K109-P125 HydrophobicContact CB-CG 4.34Å; K109-P125 HydrophobicContact CD-CB 4.39Å; K109-P125 HydrophobicContact CD-CG 4.02Å; K109-P125 HydrophobicContact CG-CB 4.22Å; K109-P125 HydrophobicContact CG-CG 4.1Å; K109-V127 WeakPolarHBondContact CA-O 3.18Å; K109-T128 HydrophobicContact CG-CG2 4.1Å; K109-T128 PolarHBondContact NZ-OG1 2.94Å
110V98.6Very high96.8Very high0 Ų030.6 Ų30.60%019%0.192CC..EExtended strand (participates in β ladder)trans-115.4132.2178.1-1770000109.7I98 I99 A100 P125 I126 V127 W141 L149 V163I98-V110 HydrophobicContact CG2-CG1 3.57Å; I99-V110 WeakPolarHBondContact O-CA 3.18Å; A100-V110 HydrophobicContact CB-CG2 4.28Å; V110-P125 CarbonylContact O-C 3.48Å; V110-P125 WeakPolarHBondContact O-CB 3.26Å; V110-I126 HydrophobicContact CG1-CD1 4.43Å; V110-I126 PolarHBondContact O-N 3.47Å; V110-V127 HydrophobicContact CB-CB 4.43Å; V110-V127 PolarHBondContact N-O 3.15Å; V110-W141 HydrophobicContact CG1-CH2 4.34Å; V110-W141 HydrophobicContact CG1-CZ2 4.45Å; V110-L149 HydrophobicContact CG2-CD2 4.48Å; V110-V163 HydrophobicContact CB-CG1 4.08Å; V110-V163 HydrophobicContact CG1-CG1 3.94Å; V110-V163 HydrophobicContact CG2-CG1 3.71Å; V110-V163 HydrophobicContact CG2-CG2 4.45Å
111W98.2Very high96.7Very high0 Ų034.4 Ų34.40%022%0.217CC..EExtended strand (participates in β ladder)trans-125.6143-168.7-45.388.1000110.8F61 V79 I98 I99 S101 K109 I113 M122 P125F61-W111 AromaticContact CE1-NE1 3.84Å; F61-W111 AromaticContact CZ-CD1 3.74Å; F61-W111 HydrophobicContact CZ-CG 4.22Å; F61-W111 AromaticContact CZ-NE1 3.85Å; V79-W111 HydrophobicContact CG1-CD2 3.41Å; V79-W111 VanDerWaalsContact CG1-CD2 3.41Å; V79-W111 HydrophobicContact CG1-CE3 3.48Å; V79-W111 VanDerWaalsContact CG1-CE3 3.48Å; V79-W111 HydrophobicContact CG1-CG 4.04Å; V79-W111 HydrophobicContact CG1-CH2 3.84Å; V79-W111 HydrophobicContact CG1-CZ2 3.76Å; V79-W111 HydrophobicContact CG1-CZ3 3.69Å; I98-W111 WeakPolarHBondContact CA-O 3.36Å; I99-W111 HydrophobicContact CG2-CB 3.86Å; I99-W111 HydrophobicContact CG2-CG 4.33Å; I99-W111 PolarHBondContact N-O 3.16Å; I99-W111 PolarHBondContact O-N 2.94Å; S101-W111 PolarHBondContact OG-NE1 2.9Å; K109-W111 HydrophobicContact CB-CH2 4.26Å; K109-W111 HydrophobicContact CB-CZ2 3.41Å; K109-W111 VanDerWaalsContact CB-CZ2 3.41Å; K109-W111 HydrophobicContact CD-CH2 3.79Å; K109-W111 HydrophobicContact CD-CZ2 3.54Å; K109-W111 HydrophobicContact CG-CZ2 4.08Å; K109-W111 PolarHBondContact O-NE1 2.82Å; W111-I113 HydrophobicContact CB-CD1 4.31Å; W111-M122 HydrophobicContact CB-SD 4.13Å; W111-M122 HydrophobicContact CE3-CG 3.9Å; W111-M122 HydrophobicContact CE3-SD 3.82Å; W111-M122 HydrophobicContact CZ3-CG 4.21Å; W111-P125 HydrophobicContact CD2-CB 4.1Å; W111-P125 HydrophobicContact CE3-CB 3.8Å; W111-P125 HydrophobicContact CH2-CB 3.89Å; W111-P125 HydrophobicContact CH2-CG 4.27Å; W111-P125 HydrophobicContact CZ2-CB 4.2Å; W111-P125 HydrophobicContact CZ3-CB 3.7Å; W111-P125 HydrophobicContact CZ3-CG 4.3Å; W111-P125 VanDerWaalsContact CZ3-N 3.34Å
112Q96.3Very high96.6Very high43 Ų4336 Ų3620%0.20123%0.225CC..EExtended strand (participates in β ladder)trans-107.2108.4172-178.1164.835.700108.5N97 I98 M122 I126N97-Q112 CarbonylContact O-C 3.59Å; N97-Q112 WeakPolarHBondContact O-CA 3.39Å; I98-Q112 HydrophobicContact CD1-CB 3.84Å; I98-Q112 HydrophobicContact CD1-CG 4.06Å; Q112-M122 WeakPolarHBondContact O-CE 3.5Å; Q112-I126 HydrophobicContact CB-CD1 3.47Å; Q112-I126 VanDerWaalsContact CB-CD1 3.47Å; Q112-I126 HydrophobicContact CB-CG1 3.93Å
113I97Very high96.5Very high0 Ų039.3 Ų39.30%025%0.246CC..PPolyproline II helixtrans-81124.7178.9-53.4-53.8000108.7F48 V63 V79 W91 N97 I99 W111 L118 M122F48-I113 HydrophobicContact CD1-CG2 4.25Å; F48-I113 HydrophobicContact CD2-CG2 4.4Å; F48-I113 HydrophobicContact CE1-CG2 3.92Å; F48-I113 HydrophobicContact CE2-CB 4.31Å; F48-I113 HydrophobicContact CE2-CG2 4.07Å; F48-I113 HydrophobicContact CG-CG2 4.49Å; F48-I113 HydrophobicContact CZ-CB 4.47Å; F48-I113 HydrophobicContact CZ-CG2 3.82Å; V63-I113 HydrophobicContact CG1-CD1 4.47Å; V63-I113 HydrophobicContact CG1-CG1 4.23Å; V63-I113 HydrophobicContact CG1-CG2 3.83Å; V63-I113 HydrophobicContact CG2-CD1 4.19Å; V79-I113 HydrophobicContact CG2-CD1 4.09Å; W91-I113 HydrophobicContact CH2-CB 4.45Å; W91-I113 HydrophobicContact CH2-CG1 3.84Å; W91-I113 HydrophobicContact CZ3-CB 4.47Å; W91-I113 HydrophobicContact CZ3-CG1 3.91Å; N97-I113 WeakPolarHBondContact CB-O 3.43Å; N97-I113 PolarHBondContact ND2-O 2.93Å; N97-I113 PolarHBondContact O-N 2.99Å; I99-I113 HydrophobicContact CG2-CD1 4.09Å; I99-I113 HydrophobicContact CG2-CG1 3.97Å; W111-I113 HydrophobicContact CB-CD1 4.31Å; I113-L118 HydrophobicContact CD1-CD2 4.39Å; I113-M122 HydrophobicContact CD1-SD 4.21Å
114P95.3Very high96.4Very high59 Ų5945.6 Ų45.638%0.38328%0.279SS..PPolyproline II helixtrans-61.2150.3175.5-22.133.5000112.1F48 G116 G117F48-P114 WeakPolarHBondContact CZ-O 3.49Å; P114-G116 PolarHBondContact O-N 2.92Å; P114-G117 PolarHBondContact O-N 2.98Å
115D91.8Very high96.3Very high67 Ų6744.3 Ų44.336%0.35828%0.276SS..THydrogen-bonded Turntrans-57.4136.2168-71.5-32.6000110.6K47 N97 G117 S402K47-D115 VanDerWaalsContact CE-OD1 3.24Å; K47-D115 WeakPolarHBondContact CE-OD1 3.4Å; K47-D115 IonicContact NZ-OD1 2.67Å; K47-D115 PolarHBondContact NZ-OD1 2.85Å; N97-D115 PolarHBondContact ND2-OD1 2.73Å; D115-G117 VanDerWaalsContact C-N 3.27Å; D115-G117 PolarHBondContact O-N 2.55Å; D115-S402 VanDerWaalsContact OD2-CB 3.29Å; D115-S402 WeakPolarHBondContact OD2-CB 3.44Å; D115-S402 PolarHBondContact OD2-N 3.12Å; D115-S402 PolarHBondContact OD2-OG 3.02Å
116G90.2Very high96.2Very high66 Ų6646.2 Ų46.268%0.6829%0.285SS*.THydrogen-bonded Turntrans83.3-6.4-172.800000114.9P65 P114P65-G116 WeakPolarHBondContact CG-O 3.36Å; P114-G116 PolarHBondContact O-N 2.92Å
117G94.5Very high96.1Very high4 Ų445.9 Ų45.94%0.04128%0.282CS..  trans93.3-170.4177.300000113.5P114 D115P114-G117 PolarHBondContact O-N 2.98Å; D115-G117 VanDerWaalsContact C-N 3.27Å; D115-G117 PolarHBondContact O-N 2.55Å
118L96.3Very high96.1Very high23 Ų2347.3 Ų47.312%0.1229%0.291CS..  trans-79.3132.4-175.8-61.8177.7000112P77 V79 I113 M122P77-L118 HydrophobicContact CB-CB 3.63Å; V79-L118 HydrophobicContact CG2-CD1 3.79Å; I113-L118 HydrophobicContact CD1-CD2 4.39Å; L118-M122 HydrophobicContact CD2-CB 4.12Å; L118-M122 HydrophobicContact CD2-CE 3.64Å; L118-M122 HydrophobicContact CD2-SD 4.32Å
119T94.9Very high96.1Very high133 Ų13347.4 Ų47.482%0.81629%0.291SS*.SBendtrans-100.6-20.7172.254.40000113.2
120S95.5Very high96.1Very high72 Ų7253 Ų5350%0.50332%0.318SS..SBendtrans-144.1156.3175.757.40000109.4M122S120-M122 PolarHBondContact O-N 3.02Å
121P96Very high96Very high80 Ų8055.1 Ų55.152%0.51934%0.34SS..  trans-53.2138.3174.9-2534.3000111.3T78T78-P121 CarbonylContact O-C 3.53Å; T78-P121 WeakPolarHBondContact O-CA 3.26Å
122M96.9Very high96Very high33 Ų3355.9 Ų55.916%0.16334%0.343CS..BIsolated β-bridgetrans-106.7111.9-178.8177.7179.6-76.200109.5T78 V79 C80 W111 Q112 I113 L118 S120T78-M122 PolarHBondContact O-N 3.38Å; V79-M122 CarbonylContact C-O 3.54Å; V79-M122 WeakPolarHBondContact CA-O 3.48Å; V79-M122 HydrophobicContact CG2-CB 4.39Å; V79-M122 HydrophobicContact CG2-SD 4.35Å; C80-M122 PolarHBondContact N-O 3Å; W111-M122 HydrophobicContact CB-SD 4.13Å; W111-M122 HydrophobicContact CE3-CG 3.9Å; W111-M122 HydrophobicContact CE3-SD 3.82Å; W111-M122 HydrophobicContact CZ3-CG 4.21Å; Q112-M122 WeakPolarHBondContact O-CE 3.5Å; I113-M122 HydrophobicContact CD1-SD 4.21Å; L118-M122 HydrophobicContact CD2-CB 4.12Å; L118-M122 HydrophobicContact CD2-CE 3.64Å; L118-M122 HydrophobicContact CD2-SD 4.32Å; S120-M122 PolarHBondContact O-N 3.02Å
123T96.3Very high96.1Very high71 Ų7158.3 Ų58.344%0.43637%0.365SS..  trans-104.4-27.4179.650.70000112.8G81 P125G81-T123 WeakPolarHBondContact CA-O 3.39Å; T123-P125 WeakPolarHBondContact O-CD 3.44Å
124D95.3Very high96.2Very high132 Ų13263.6 Ų63.671%0.70639%0.388SS*.  trans-97.3113.5-172.8-56.6-40.9000110.7
125P97Very high96.3Very high33 Ų3366.2 Ų66.221%0.21439%0.39CS..  trans-76.6160.817333.9-36.1000110.6K109 V110 W111 T123 V127 T128K109-P125 HydrophobicContact CB-CB 3.9Å; K109-P125 HydrophobicContact CB-CG 4.34Å; K109-P125 HydrophobicContact CD-CB 4.39Å; K109-P125 HydrophobicContact CD-CG 4.02Å; K109-P125 HydrophobicContact CG-CB 4.22Å; K109-P125 HydrophobicContact CG-CG 4.1Å; V110-P125 CarbonylContact O-C 3.48Å; V110-P125 WeakPolarHBondContact O-CB 3.26Å; W111-P125 HydrophobicContact CD2-CB 4.1Å; W111-P125 HydrophobicContact CE3-CB 3.8Å; W111-P125 HydrophobicContact CH2-CB 3.89Å; W111-P125 HydrophobicContact CH2-CG 4.27Å; W111-P125 HydrophobicContact CZ2-CB 4.2Å; W111-P125 HydrophobicContact CZ3-CB 3.7Å; W111-P125 HydrophobicContact CZ3-CG 4.3Å; W111-P125 VanDerWaalsContact CZ3-N 3.34Å; T123-P125 WeakPolarHBondContact O-CD 3.44Å; P125-V127 VanDerWaalsContact C-N 3.35Å; P125-T128 VanDerWaalsContact CG-OG1 3.26Å; P125-T128 WeakPolarHBondContact CG-OG1 3.46Å
126I95.8Very high96.6Very high74 Ų7463 Ų6338%0.37937%0.373SS..SBendtrans-71.1-38.5172-38.7161.5000110.4I98 V110 Q112 L408I98-I126 HydrophobicContact CD1-CD1 3.64Å; V110-I126 HydrophobicContact CG1-CD1 4.43Å; V110-I126 PolarHBondContact O-N 3.47Å; Q112-I126 HydrophobicContact CB-CD1 3.47Å; Q112-I126 VanDerWaalsContact CB-CD1 3.47Å; Q112-I126 HydrophobicContact CB-CG1 3.93Å; I126-L408 HydrophobicContact CB-CD1 3.99Å; I126-L408 HydrophobicContact CD1-CD1 3.51Å; I126-L408 HydrophobicContact CG1-CD1 4.4Å; I126-L408 HydrophobicContact CG2-CD1 3.56Å
127V96.7Very high97Very high27 Ų2760 Ų6016%0.16434%0.342CS..EExtended strand (participates in β ladder)trans-142.2134.8-179.4-177.80000108.6K109 V110 P125 L129 V163 L408K109-V127 WeakPolarHBondContact CA-O 3.18Å; V110-V127 HydrophobicContact CB-CB 4.43Å; V110-V127 PolarHBondContact N-O 3.15Å; P125-V127 VanDerWaalsContact C-N 3.35Å; V127-L129 HydrophobicContact CG1-CD2 3.56Å; V127-L129 HydrophobicContact CG1-CG 4.14Å; V127-V163 HydrophobicContact CG2-CG1 4.47Å; V127-L408 HydrophobicContact CG2-CD1 4.44Å
128T98.3Very high97.2Very high48 Ų4860.7 Ų60.729%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-109.9124.8164.7-58.40000107.5T107 K109 P125 E130T107-T128 HydrophobicContact CG2-CG2 4.28Å; K109-T128 HydrophobicContact CG-CG2 4.1Å; K109-T128 PolarHBondContact NZ-OG1 2.94Å; P125-T128 VanDerWaalsContact CG-OG1 3.26Å; P125-T128 WeakPolarHBondContact CG-OG1 3.46Å; T128-E130 HydrophobicContact CG2-CG 3.86Å
129L98.5Very high97.3Very high4 Ų460 Ų602%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-101.1118.1177.2-53.7172.4000107.8V108 V127 L149 W161 V163V108-L129 HydrophobicContact CB-CB 4.2Å; V108-L129 HydrophobicContact CB-CD1 4.34Å; V108-L129 HydrophobicContact CG1-CD1 4.08Å; V108-L129 PolarHBondContact N-O 2.85Å; V108-L129 VanDerWaalsContact N-O 3.09Å; V108-L129 PolarHBondContact O-N 3.21Å; V127-L129 HydrophobicContact CG1-CD2 3.56Å; V127-L129 HydrophobicContact CG1-CG 4.14Å; L129-L149 HydrophobicContact CD1-CD2 4.12Å; L129-W161 HydrophobicContact CB-CD2 4.13Å; L129-W161 HydrophobicContact CB-CE3 4.22Å; L129-W161 HydrophobicContact CB-CH2 4.46Å; L129-W161 HydrophobicContact CB-CZ2 4.37Å; L129-W161 HydrophobicContact CB-CZ3 4.37Å; L129-W161 HydrophobicContact CD1-CB 3.97Å; L129-W161 HydrophobicContact CD1-CD2 4.05Å; L129-W161 HydrophobicContact CD1-CG 3.73Å; L129-W161 HydrophobicContact CD2-CB 4.39Å; L129-W161 HydrophobicContact CD2-CD2 4.17Å; L129-W161 HydrophobicContact CD2-CE3 3.9Å; L129-W161 HydrophobicContact CD2-CG 4.4Å; L129-W161 HydrophobicContact CG-CD2 4.34Å; L129-W161 HydrophobicContact CG-CE3 4.46Å; L129-W161 HydrophobicContact CG-CG 4.49Å; L129-V163 HydrophobicContact CD1-CG2 4.42Å
130E97.9Very high97.5Very high143 Ų14354 Ų5467%0.66831%0.306SS*.EExtended strand (participates in β ladder)trans-120.2130.8-177.1-59.7-175.7173.700109T107 T128 W161T107-E130 HydrophobicContact CG2-CG 4.24Å; T128-E130 HydrophobicContact CG2-CG 3.86Å; E130-W161 WeakPolarHBondContact O-CH2 3.29Å
131G97.2Very high97.6Very high46 Ų4651.2 Ų51.247%0.47428%0.284SS..  trans173.4-29.9-179.800000113.1
132H98.6Very high97.7Very high15 Ų1547.4 Ų47.47%0.06926%0.259CS..  trans-70.8139.5174.9-76-71.8000110.4C106 V136 T151 G153 D155 V157 F159C106-H132 WeakPolarHBondContact CB-O 3.31Å; H132-V136 HydrophobicContact CB-CG2 3.53Å; H132-V136 WeakPolarHBondContact CD2-CG2 3.44Å; H132-T151 PolarHBondContact NE2-OG1 3.2Å; H132-G153 PolarHBondContact CE1-N 3.04Å; H132-G153 VanDerWaalsContact CE1-N 3.29Å; H132-D155 VanDerWaalsContact CA-OD2 3.24Å; H132-D155 WeakPolarHBondContact CA-OD2 3.47Å; H132-D155 WeakPolarHBondContact CB-OD2 3.36Å; H132-D155 IonicContact CE1-OD1 2.73Å; H132-D155 IonicContact CG-OD2 2.94Å; H132-D155 IonicContact ND1-OD1 3.54Å; H132-D155 PolarHBondContact ND1-OD1 3.1Å; H132-D155 IonicContact ND1-OD2 2.86Å; H132-D155 PolarHBondContact ND1-OD2 3Å; H132-D155 VanDerWaalsContact ND1-OD2 3.12Å; H132-V157 PolarHBondContact CE1-O 3.36Å; H132-F159 HydrophobicContact CB-CE2 4.32Å; H132-F159 AromaticContact CD2-CD2 3.54Å; H132-F159 AromaticContact CD2-CE2 3.86Å; H132-F159 AromaticContact CE1-CD2 3.35Å; H132-F159 WeakPolarHBondContact CE1-CD2 3.45Å; H132-F159 AromaticContact CE1-CE2 3.64Å; H132-F159 AromaticContact CG-CD2 3.81Å; H132-F159 AromaticContact CG-CE2 3.64Å; H132-F159 AromaticContact ND1-CD2 3.71Å; H132-F159 AromaticContact ND1-CE2 3.51Å; H132-F159 AromaticContact NE2-CD2 3.28Å; H132-F159 VanDerWaalsContact NE2-CD2 3.28Å; H132-F159 WeakPolarHBondContact NE2-CD2 3.35Å; H132-F159 AromaticContact NE2-CE2 3.9Å
133S98.1Very high97.8Very high94 Ų9447.7 Ų47.766%0.65726%0.263SS*.SBendtrans-93.8-7179.561.60000113.2D155S133-D155 PolarHBondContact N-OD2 3.14Å; S133-D155 WeakPolarHBondContact OG-CB 3.19Å; S133-D155 PolarHBondContact OG-OD2 3.37Å
134K98.6Very high97.8Very high112 Ų11244.3 Ų44.349%0.48724%0.243SC..SBendtrans-139.6170.4177.5-66178.2-174.9168.60109.2C106 V136 C154 D155C106-K134 WeakPolarHBondContact SG-CA 3.24Å; K134-V136 PolarHBondContact O-N 3.36Å; K134-C154 HydrophobicContact CB-CB 4Å; K134-C154 HydrophobicContact CD-CB 4.41Å; K134-C154 WeakPolarHBondContact CD-O 3.29Å; K134-D155 HydrophobicContact CB-CB 4.2Å; K134-D155 HydrophobicContact CD-CB 4.27Å; K134-D155 HydrophobicContact CG-CB 4.28Å
135R97.9Very high97.9Very high113 Ų11338 Ų3843%0.42621%0.209SC..  trans-45.9138.717963179.1144.7-151.4-7.7113.1L87 E104 G153 C154L87-R135 HydrophobicContact CD1-CB 4.01Å; L87-R135 HydrophobicContact CD1-CG 4.16Å; E104-R135 HydrophobicContact CB-CB 4.24Å; E104-R135 HydrophobicContact CG-CB 4.17Å; E104-R135 IonicContact OE1-CZ 2.79Å; E104-R135 IonicContact OE1-NH1 3.86Å; E104-R135 PolarHBondContact OE1-NH1 2.9Å; R135-G153 WeakPolarHBondContact O-CA 3.33Å; R135-C154 HydrophobicContact CG-CB 3.78Å; R135-C154 WeakPolarHBondContact CG-SG 3.48Å; R135-C154 PolarHBondContact O-N 2.73Å
136V98.6Very high97.9Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-104.9129.9177.4-165.90000108.2L87 A102 S103 V108 H132 K134L87-V136 WeakPolarHBondContact CD1-O 3.45Å; A102-V136 CarbonylContact C-O 3.56Å; A102-V136 HydrophobicContact CB-CB 3.98Å; A102-V136 HydrophobicContact CB-CG1 3.88Å; A102-V136 WeakPolarHBondContact CB-O 3.24Å; S103-V136 PolarHBondContact N-O 2.73Å; S103-V136 PolarHBondContact O-N 3.43Å; V108-V136 HydrophobicContact CG2-CB 4.1Å; V108-V136 HydrophobicContact CG2-CG1 3.67Å; V108-V136 HydrophobicContact CG2-CG2 4.32Å; H132-V136 HydrophobicContact CB-CG2 3.53Å; H132-V136 WeakPolarHBondContact CD2-CG2 3.44Å; K134-V136 PolarHBondContact O-N 3.36Å
137G97.7Very high97.8Very high3 Ų335 Ų353%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-145.215.7-175.700000115.1W37 A152W37-G137 PolarHBondContact NE1-O 3.42Å; G137-A152 PolarHBondContact N-O 2.99Å
138I98.6Very high97.9Very high18 Ų1833.8 Ų33.89%0.09218%0.183CC..EExtended strand (participates in β ladder)trans-135.2123.3172.8-57.4172.6000108T151 A152 I180 V183I138-T151 WeakPolarHBondContact O-CA 3.43Å; I138-A152 HydrophobicContact CB-CB 4.09Å; I138-A152 HydrophobicContact CD1-CB 4.25Å; I138-A152 PolarHBondContact N-O 3.17Å; I138-A152 PolarHBondContact O-N 3.15Å; I138-I180 HydrophobicContact CD1-CB 4.39Å; I138-I180 HydrophobicContact CD1-CG2 3.92Å; I138-I180 WeakPolarHBondContact CD1-O 2.94Å; I138-V183 HydrophobicContact CG2-CB 4.11Å; I138-V183 HydrophobicContact CG2-CG2 4.08Å
139L98.8Very high98Very high10 Ų1031.5 Ų31.55%0.05217%0.169CC..EExtended strand (participates in β ladder)trans-115.3140170.2-64.4173.4000110.1D88 Q90 A100 A102 V108 L149 T151D88-L139 HydrophobicContact CB-CD1 4.38Å; D88-L139 HydrophobicContact CB-CG 4.35Å; D88-L139 PolarHBondContact OD2-N 3.32Å; Q90-L139 HydrophobicContact CB-CB 4.2Å; Q90-L139 PolarHBondContact OE1-O 2.81Å; A100-L139 HydrophobicContact CB-CD1 3.91Å; A100-L139 WeakPolarHBondContact O-CD1 3.48Å; A102-L139 HydrophobicContact CB-CD1 4.04Å; A102-L139 HydrophobicContact CB-CD2 3.89Å; A102-L139 HydrophobicContact CB-CG 3.81Å; V108-L139 HydrophobicContact CG1-CD2 3.75Å; V108-L139 HydrophobicContact CG2-CD2 4.07Å; L139-L149 HydrophobicContact CD2-CD1 4.43Å; L139-L149 HydrophobicContact CD2-CD2 4.42Å; L139-T151 HydrophobicContact CD2-CG2 3.86Å
140A98.5Very high98Very high7 Ų731.3 Ų31.36%0.05817%0.168CC..EExtended strand (participates in β ladder)trans-146.596.5171.900000110.9Q90 L150 W185Q90-A140 VanDerWaalsContact OE1-CA 3.22Å; A140-L150 HydrophobicContact CB-CB 4.28Å; A140-L150 HydrophobicContact CB-CD2 4.3Å; A140-L150 PolarHBondContact N-O 2.9Å; A140-L150 WeakPolarHBondContact O-CB 3.46Å; A140-L150 PolarHBondContact O-N 3.49Å; A140-W185 PolarHBondContact O-NE1 2.86Å
141W98.6Very high98Very high12 Ų1224.5 Ų24.55%0.04514%0.136CC..EExtended strand (participates in β ladder)trans-58.7139.5168.3-72.3102.3000111Q90 C92 P93 I98 A100 V110 L149 V163 W185Q90-W141 PolarHBondContact O-NE1 2.92Å; C92-W141 HydrophobicContact CB-CD2 4.28Å; C92-W141 HydrophobicContact CB-CH2 4.43Å; C92-W141 HydrophobicContact CB-CZ2 4.13Å; P93-W141 HydrophobicContact CG-CB 4.02Å; I98-W141 HydrophobicContact CG2-CH2 4.15Å; I98-W141 HydrophobicContact CG2-CZ2 4.1Å; A100-W141 HydrophobicContact CB-CZ2 3.72Å; V110-W141 HydrophobicContact CG1-CH2 4.34Å; V110-W141 HydrophobicContact CG1-CZ2 4.45Å; W141-L149 HydrophobicContact CD2-CB 4.43Å; W141-L149 HydrophobicContact CD2-CD1 3.8Å; W141-L149 HydrophobicContact CE3-CB 3.98Å; W141-L149 HydrophobicContact CE3-CD1 4.22Å; W141-L149 HydrophobicContact CG-CD1 3.94Å; W141-L149 HydrophobicContact CH2-CD2 4.47Å; W141-L149 HydrophobicContact CZ2-CD2 4.37Å; W141-L149 HydrophobicContact CZ3-CB 4.04Å; W141-V163 HydrophobicContact CH2-CB 4.36Å; W141-V163 HydrophobicContact CH2-CG1 4.24Å; W141-V163 HydrophobicContact CH2-CG2 3.9Å; W141-V163 HydrophobicContact CZ3-CB 4.37Å; W141-V163 HydrophobicContact CZ3-CG2 3.84Å; W141-W185 VanDerWaalsContact O-CD1 3.28Å
142H98.6Very high98.1Very high0 Ų022.4 Ų22.40%011%0.114CC..  trans-67.7136.7175.6-169.7-65000110.4P93 H94 C144 A145 I148 W185 G189 W380P93-H142 WeakPolarHBondContact CG-O 3.25Å; H94-H142 PolarHBondContact CE1-O 2.87Å; H142-C144 PolarHBondContact ND1-N 3.24Å; H142-A145 PolarHBondContact CE1-N 3.4Å; H142-A145 VanDerWaalsContact CE1-N 3.33Å; H142-A145 PolarHBondContact ND1-N 2.92Å; H142-I148 HydrophobicContact CB-CB 3.62Å; H142-I148 HydrophobicContact CB-CG2 3.77Å; H142-I148 WeakPolarHBondContact CB-O 3.43Å; H142-I148 PolarHBondContact N-O 3.24Å; H142-W185 AromaticContact CD2-CH2 3.71Å; H142-W185 AromaticContact CD2-CZ2 3.88Å; H142-W185 AromaticContact CD2-CZ3 3.84Å; H142-G189 WeakPolarHBondContact NE2-CA 3.12Å; H142-G189 PolarHBondContact NE2-O 3.47Å; H142-G189 VanDerWaalsContact NE2-O 3.13Å; H142-W380 AromaticContact CD2-CE2 3.66Å; H142-W380 AromaticContact CD2-CZ2 3.84Å; H142-W380 AromaticContact CD2-NE1 3.84Å; H142-W380 AromaticContact CE1-NE1 3.95Å; H142-W380 AromaticContact NE2-CD1 3.47Å; H142-W380 AromaticContact NE2-CD2 3.89Å; H142-W380 AromaticContact NE2-CE2 3.33Å; H142-W380 VanDerWaalsContact NE2-CE2 3.33Å; H142-W380 AromaticContact NE2-CG 3.97Å; H142-W380 AromaticContact NE2-CZ2 3.87Å; H142-W380 AromaticContact NE2-NE1 3Å; H142-W380 PolarHBondContact NE2-NE1 3.36Å
143P97.4Very high98Very high39 Ų3921.9 Ų21.925%0.25311%0.113SC..SBendtrans-72-36.2-175.325.9-34000113.7H94 W185 N186H94-P143 PolarHBondContact NE2-O 3.4Å; P143-W185 HydrophobicContact CG-CB 4.08Å; P143-N186 WeakPolarHBondContact CG-O 3.42Å
144C97.3Very high98Very high1 Ų118.4 Ų18.41%0.0079%0.089CC..SBendtrans-109.7-36.6-172.7-55.90000116H142 K187 D188 P373 A374 L375 A386 P388H142-C144 PolarHBondContact ND1-N 3.24Å; C144-K187 PolarHBondContact SG-O 3.05Å; C144-K187 VanDerWaalsContact SG-O 3.34Å; C144-D188 PolarHBondContact SG-O 3.49Å; C144-P373 CarbonylContact O-C 3.5Å; C144-P373 WeakPolarHBondContact O-CA 3.15Å; C144-P373 WeakPolarHBondContact O-CB 3.3Å; C144-A374 HydrophobicContact CB-CB 4.19Å; C144-A374 PolarHBondContact O-N 2.67Å; C144-L375 PolarHBondContact O-N 3.13Å; C144-A386 WeakPolarHBondContact CB-O 3.44Å; C144-A386 PolarHBondContact SG-O 3.4Å; C144-P388 WeakPolarHBondContact SG-CD 3.4Å; C144-P388 VanDerWaalsContact SG-CG 3.56Å
145A97.6Very high98Very high0 Ų014.1 Ų14.10%07%0.071CC..BIsolated β-bridgetrans-87.1131-178.100000111.9H94 H142 I148 L375 W380H94-A145 PolarHBondContact CE1-O 3.41Å; H94-A145 VanDerWaalsContact CE1-O 3.29Å; H142-A145 PolarHBondContact CE1-N 3.4Å; H142-A145 VanDerWaalsContact CE1-N 3.33Å; H142-A145 PolarHBondContact ND1-N 2.92Å; A145-I148 HydrophobicContact CB-CB 4.32Å; A145-I148 HydrophobicContact CB-CG1 3.81Å; A145-L375 CarbonylContact C-O 3.43Å; A145-L375 WeakPolarHBondContact CA-O 3.2Å; A145-L375 HydrophobicContact CB-CB 4.36Å; A145-W380 HydrophobicContact CB-CB 3.63Å; A145-W380 HydrophobicContact CB-CD2 4.34Å; A145-W380 HydrophobicContact CB-CG 3.81Å
146F95.8Very high98Very high33 Ų3310.3 Ų10.315%0.1456%0.059CC..THydrogen-bonded Turntrans-64.5140.5178.6-167.4-125.1000112.1H94 I148 P373 L375 T407H94-F146 HydrophobicContact CB-CD2 4.11Å; H94-F146 HydrophobicContact CB-CE2 4.32Å; F146-I148 PolarHBondContact O-N 3.19Å; F146-P373 HydrophobicContact CB-CB 3.8Å; F146-P373 HydrophobicContact CB-CG 3.71Å; F146-P373 HydrophobicContact CD2-CB 4.31Å; F146-P373 HydrophobicContact CD2-CG 3.79Å; F146-P373 HydrophobicContact CG-CB 4.48Å; F146-P373 HydrophobicContact CG-CG 3.99Å; F146-L375 PolarHBondContact N-O 2.92Å; F146-T407 WeakPolarHBondContact CE1-O 3.4Å; F146-T407 WeakPolarHBondContact CZ-O 3.24Å
147N95.6Very high98Very high10 Ų1011.1 Ų11.15%0.0536%0.064CC..THydrogen-bonded Turntrans58.96.8175.3-66.7-16.4000116.8V163 L408N147-V163 HydrophobicContact CB-CB 4.41Å; N147-V163 WeakPolarHBondContact O-CB 3.29Å; N147-V163 WeakPolarHBondContact O-CG2 3.39Å; N147-V163 PolarHBondContact O-N 3.04Å; N147-L408 PolarHBondContact ND2-O 3.47Å; N147-L408 WeakPolarHBondContact OD1-CD2 3.22Å
148I98.5Very high98.1Very high1 Ų111 Ų111%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-84.2121.9175.2-58.8-59000109.6H142 A145 F146 V160 W161 N162 A377 W380 I381H142-I148 HydrophobicContact CB-CB 3.62Å; H142-I148 HydrophobicContact CB-CG2 3.77Å; H142-I148 WeakPolarHBondContact CB-O 3.43Å; H142-I148 PolarHBondContact N-O 3.24Å; A145-I148 HydrophobicContact CB-CB 4.32Å; A145-I148 HydrophobicContact CB-CG1 3.81Å; F146-I148 PolarHBondContact O-N 3.19Å; I148-V160 HydrophobicContact CG2-CG1 3.57Å; I148-W161 WeakPolarHBondContact CA-O 3.46Å; I148-N162 HydrophobicContact CD1-CB 4.44Å; I148-A377 HydrophobicContact CD1-CB 3.74Å; I148-A377 HydrophobicContact CG1-CB 4.27Å; I148-W380 HydrophobicContact CD1-CE3 3.96Å; I148-W380 HydrophobicContact CD1-CZ3 4.16Å; I148-W380 HydrophobicContact CG1-CE3 3.79Å; I148-W380 HydrophobicContact CG1-CZ3 4.18Å; I148-W380 HydrophobicContact CG2-CE3 4.09Å; I148-W380 HydrophobicContact CG2-CH2 4.12Å; I148-W380 HydrophobicContact CG2-CZ3 3.7Å; I148-I381 HydrophobicContact CD1-CD1 4.26Å; I148-I381 HydrophobicContact CD1-CG1 4.45Å
149L98.8Very high98.1Very high0 Ų010.6 Ų10.60%06%0.061CC..EExtended strand (participates in β ladder)trans-125.4128.1177.5176.261.3000109.9A100 V108 V110 L129 L139 W141 T151 W161 V163A100-L149 HydrophobicContact CB-CD2 3.86Å; V108-L149 HydrophobicContact CG1-CD2 4.06Å; V110-L149 HydrophobicContact CG2-CD2 4.48Å; L129-L149 HydrophobicContact CD1-CD2 4.12Å; L139-L149 HydrophobicContact CD2-CD1 4.43Å; L139-L149 HydrophobicContact CD2-CD2 4.42Å; W141-L149 HydrophobicContact CD2-CB 4.43Å; W141-L149 HydrophobicContact CD2-CD1 3.8Å; W141-L149 HydrophobicContact CE3-CB 3.98Å; W141-L149 HydrophobicContact CE3-CD1 4.22Å; W141-L149 HydrophobicContact CG-CD1 3.94Å; W141-L149 HydrophobicContact CH2-CD2 4.47Å; W141-L149 HydrophobicContact CZ2-CD2 4.37Å; W141-L149 HydrophobicContact CZ3-CB 4.04Å; L149-T151 HydrophobicContact CD2-CG2 4.31Å; L149-T151 HydrophobicContact CG-CG2 4.15Å; L149-W161 PolarHBondContact N-O 2.65Å; L149-W161 PolarHBondContact O-N 3.3Å; L149-V163 HydrophobicContact CB-CG2 3.57Å; L149-V163 HydrophobicContact CD2-CG2 4.07Å; L149-V163 HydrophobicContact CG-CG2 4.49Å
150L98.8Very high98.1Very high0 Ų010.2 Ų10.20%06%0.058CC..EExtended strand (participates in β ladder)trans-95.9138.1170.1-177158.1000110.3A140 V158 F159 V160 V183 W185 V192A140-L150 HydrophobicContact CB-CB 4.28Å; A140-L150 HydrophobicContact CB-CD2 4.3Å; A140-L150 PolarHBondContact N-O 2.9Å; A140-L150 WeakPolarHBondContact O-CB 3.46Å; A140-L150 PolarHBondContact O-N 3.49Å; L150-V158 HydrophobicContact CD1-CG1 3.69Å; L150-V158 HydrophobicContact CD2-CG1 3.65Å; L150-V158 HydrophobicContact CG-CG1 3.52Å; L150-F159 CarbonylContact C-O 3.56Å; L150-F159 VanDerWaalsContact CA-O 3.3Å; L150-F159 WeakPolarHBondContact CA-O 3.31Å; L150-V160 HydrophobicContact CD1-CG2 4.3Å; L150-V160 HydrophobicContact CG-CG2 4.38Å; L150-V183 HydrophobicContact CD1-CG1 3.93Å; L150-V183 HydrophobicContact CD2-CB 4.11Å; L150-V183 HydrophobicContact CD2-CG1 3.65Å; L150-V183 HydrophobicContact CD2-CG2 4.17Å; L150-V183 HydrophobicContact CG-CG1 4.49Å; L150-W185 HydrophobicContact CB-CZ2 3.94Å; L150-W185 HydrophobicContact CD1-CH2 4.5Å; L150-W185 HydrophobicContact CD1-CZ2 3.86Å; L150-V192 HydrophobicContact CD1-CG1 3.82Å
151T98.8Very high98.1Very high0 Ų010.3 Ų10.30%06%0.057CC..EExtended strand (participates in β ladder)trans-128.7144.7175690000110.2V108 H132 I138 L139 L149 V158 F159 W161V108-T151 HydrophobicContact CB-CG2 4.31Å; V108-T151 HydrophobicContact CG1-CG2 4.19Å; V108-T151 HydrophobicContact CG2-CG2 3.78Å; H132-T151 PolarHBondContact NE2-OG1 3.2Å; I138-T151 WeakPolarHBondContact O-CA 3.43Å; L139-T151 HydrophobicContact CD2-CG2 3.86Å; L149-T151 HydrophobicContact CD2-CG2 4.31Å; L149-T151 HydrophobicContact CG-CG2 4.15Å; T151-V158 WeakPolarHBondContact O-CA 3.27Å; T151-F159 PolarHBondContact N-O 2.85Å; T151-F159 PolarHBondContact O-N 3.06Å; T151-W161 PolarHBondContact OG1-NE1 2.9Å
152A98.6Very high98Very high2 Ų210.2 Ų10.22%0.0176%0.058CC..EExtended strand (participates in β ladder)trans-134.2134.9171.800000111.8G137 I138 V157 V158 I180 V183G137-A152 PolarHBondContact N-O 2.99Å; I138-A152 HydrophobicContact CB-CB 4.09Å; I138-A152 HydrophobicContact CD1-CB 4.25Å; I138-A152 PolarHBondContact N-O 3.17Å; I138-A152 PolarHBondContact O-N 3.15Å; A152-V157 WeakPolarHBondContact CA-O 3.47Å; A152-V158 HydrophobicContact CB-CG2 4.1Å; A152-I180 HydrophobicContact CB-CD1 4.09Å; A152-I180 HydrophobicContact CB-CG2 4.36Å; A152-V183 HydrophobicContact CB-CG2 4.23Å
153G97.8Very high97.9Very high5 Ų510.2 Ų10.25%0.0526%0.058CC..EExtended strand (participates in β ladder)trans-112.3169.3-174.200000113.8H132 R135 D155 N156 V157H132-G153 PolarHBondContact CE1-N 3.04Å; H132-G153 VanDerWaalsContact CE1-N 3.29Å; R135-G153 WeakPolarHBondContact O-CA 3.33Å; G153-D155 WeakPolarHBondContact CA-OD1 3.37Å; G153-D155 PolarHBondContact O-N 2.8Å; G153-N156 PolarHBondContact O-N 3.15Å; G153-V157 PolarHBondContact N-O 3.01Å
154C98.1Very high97.6Very high21 Ų219 Ų914%0.1425%0.053CC..THydrogen-bonded Turntrans-71.91170.3-76.50000113.5K134 R135 L179K134-C154 HydrophobicContact CB-CB 4Å; K134-C154 HydrophobicContact CD-CB 4.41Å; K134-C154 WeakPolarHBondContact CD-O 3.29Å; R135-C154 HydrophobicContact CG-CB 3.78Å; R135-C154 WeakPolarHBondContact CG-SG 3.48Å; R135-C154 PolarHBondContact O-N 2.73Å; C154-L179 HydrophobicContact CB-CD1 4.24Å; C154-L179 VanDerWaalsContact SG-CD1 3.56Å
155D98.3Very high97.4Very high22 Ų2212.9 Ų12.912%0.1188%0.076CC..THydrogen-bonded Turntrans-80.70.5164.553.76000112.5H132 S133 K134 G153 V157H132-D155 VanDerWaalsContact CA-OD2 3.24Å; H132-D155 WeakPolarHBondContact CA-OD2 3.47Å; H132-D155 WeakPolarHBondContact CB-OD2 3.36Å; H132-D155 IonicContact CE1-OD1 2.73Å; H132-D155 IonicContact CG-OD2 2.94Å; H132-D155 IonicContact ND1-OD1 3.54Å; H132-D155 PolarHBondContact ND1-OD1 3.1Å; H132-D155 IonicContact ND1-OD2 2.86Å; H132-D155 PolarHBondContact ND1-OD2 3Å; H132-D155 VanDerWaalsContact ND1-OD2 3.12Å; S133-D155 PolarHBondContact N-OD2 3.14Å; S133-D155 WeakPolarHBondContact OG-CB 3.19Å; S133-D155 PolarHBondContact OG-OD2 3.37Å; K134-D155 HydrophobicContact CB-CB 4.2Å; K134-D155 HydrophobicContact CD-CB 4.27Å; K134-D155 HydrophobicContact CG-CB 4.28Å; G153-D155 WeakPolarHBondContact CA-OD1 3.37Å; G153-D155 PolarHBondContact O-N 2.8Å; D155-V157 HydrophobicContact CB-CG2 4.33Å; D155-V157 PolarHBondContact O-N 3.29Å; D155-V157 PolarHBondContact OD1-N 2.91Å
156N98.3Very high97.3Very high32 Ų3214.2 Ų14.217%0.1719%0.091CC..SBendtrans64.617.8179.8-47.2-25.1000113.2G153 D178 L179G153-N156 PolarHBondContact O-N 3.15Å; N156-D178 WeakPolarHBondContact ND2-CA 3.2Å; N156-D178 PolarHBondContact OD1-O 3.13Å; N156-L179 VanDerWaalsContact OD1-CA 3.27Å; N156-L179 WeakPolarHBondContact OD1-CA 3.44Å; N156-L179 PolarHBondContact OD1-N 3.33Å
157V98.2Very high97.3Very high18 Ų1818.4 Ų18.411%0.10911%0.111CC..  trans-98.1143.1177-1740000109H132 A152 G153 D155 F159 Q171H132-V157 PolarHBondContact CE1-O 3.36Å; A152-V157 WeakPolarHBondContact CA-O 3.47Å; G153-V157 PolarHBondContact N-O 3.01Å; D155-V157 HydrophobicContact CB-CG2 4.33Å; D155-V157 PolarHBondContact O-N 3.29Å; D155-V157 PolarHBondContact OD1-N 2.91Å; V157-F159 HydrophobicContact CB-CZ 4.4Å; V157-F159 HydrophobicContact CG1-CD1 3.8Å; V157-F159 HydrophobicContact CG1-CE1 3.41Å; V157-F159 VanDerWaalsContact CG1-CE1 3.41Å; V157-F159 HydrophobicContact CG1-CE2 4.32Å; V157-F159 HydrophobicContact CG1-CG 4.45Å; V157-F159 HydrophobicContact CG1-CZ 3.69Å; V157-Q171 HydrophobicContact CG1-CG 4.04Å
158V98.6Very high97.4Very high1 Ų121.3 Ų21.31%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-106.2130.3165.1-179.80000108.9L150 T151 A152 L172 I180L150-V158 HydrophobicContact CD1-CG1 3.69Å; L150-V158 HydrophobicContact CD2-CG1 3.65Å; L150-V158 HydrophobicContact CG-CG1 3.52Å; T151-V158 WeakPolarHBondContact O-CA 3.27Å; A152-V158 HydrophobicContact CB-CG2 4.1Å; V158-L172 HydrophobicContact CB-CB 4.07Å; V158-L172 HydrophobicContact CB-CD1 4.02Å; V158-L172 HydrophobicContact CB-CG 4.34Å; V158-L172 HydrophobicContact CG1-CD1 4.16Å; V158-L172 PolarHBondContact N-O 3.2Å; V158-L172 VanDerWaalsContact N-O 3.15Å; V158-L172 PolarHBondContact O-N 3.01Å; V158-I180 HydrophobicContact CG2-CD1 3.54Å
159F98.7Very high97.3Very high9 Ų923.1 Ų23.14%0.03914%0.137CC..EExtended strand (participates in β ladder)trans-113.5145171.6-66.8-43.3000110.7H132 L150 T151 V157 W161 L168 Y170 Q171H132-F159 HydrophobicContact CB-CE2 4.32Å; H132-F159 AromaticContact CD2-CD2 3.54Å; H132-F159 AromaticContact CD2-CE2 3.86Å; H132-F159 AromaticContact CE1-CD2 3.35Å; H132-F159 WeakPolarHBondContact CE1-CD2 3.45Å; H132-F159 AromaticContact CE1-CE2 3.64Å; H132-F159 AromaticContact CG-CD2 3.81Å; H132-F159 AromaticContact CG-CE2 3.64Å; H132-F159 AromaticContact ND1-CD2 3.71Å; H132-F159 AromaticContact ND1-CE2 3.51Å; H132-F159 AromaticContact NE2-CD2 3.28Å; H132-F159 VanDerWaalsContact NE2-CD2 3.28Å; H132-F159 WeakPolarHBondContact NE2-CD2 3.35Å; H132-F159 AromaticContact NE2-CE2 3.9Å; L150-F159 CarbonylContact C-O 3.56Å; L150-F159 VanDerWaalsContact CA-O 3.3Å; L150-F159 WeakPolarHBondContact CA-O 3.31Å; T151-F159 PolarHBondContact N-O 2.85Å; T151-F159 PolarHBondContact O-N 3.06Å; V157-F159 HydrophobicContact CB-CZ 4.4Å; V157-F159 HydrophobicContact CG1-CD1 3.8Å; V157-F159 HydrophobicContact CG1-CE1 3.41Å; V157-F159 VanDerWaalsContact CG1-CE1 3.41Å; V157-F159 HydrophobicContact CG1-CE2 4.32Å; V157-F159 HydrophobicContact CG1-CG 4.45Å; V157-F159 HydrophobicContact CG1-CZ 3.69Å; F159-W161 HydrophobicContact CB-CZ2 3.78Å; F159-W161 VanDerWaalsContact CB-NE1 3.31Å; F159-W161 HydrophobicContact CD2-CH2 4.39Å; F159-W161 AromaticContact CD2-CZ2 3.52Å; F159-W161 HydrophobicContact CD2-CZ2 3.52Å; F159-W161 HydrophobicContact CE2-CZ2 4.34Å; F159-W161 AromaticContact CG-CZ2 3.84Å; F159-W161 HydrophobicContact CG-CZ2 3.84Å; F159-L168 HydrophobicContact CB-CD1 3.53Å; F159-L168 HydrophobicContact CD1-CD1 3.53Å; F159-L168 HydrophobicContact CD1-CD2 3.97Å; F159-L168 HydrophobicContact CD1-CG 4.4Å; F159-L168 HydrophobicContact CE1-CD1 4.38Å; F159-L168 HydrophobicContact CE1-CD2 4.02Å; F159-L168 HydrophobicContact CG-CD1 3.68Å; F159-Y170 WeakPolarHBondContact CA-O 3.44Å; F159-Q171 HydrophobicContact CD1-CB 3.94Å; F159-Q171 HydrophobicContact CD1-CG 3.91Å; F159-Q171 HydrophobicContact CE1-CB 4.04Å; F159-Q171 HydrophobicContact CE1-CG 3.58Å
160V98.7Very high97.3Very high1 Ų125.2 Ų25.21%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-118.9123169.8-176.30000108.1I148 L150 V169 Y170 P206 W380I148-V160 HydrophobicContact CG2-CG1 3.57Å; L150-V160 HydrophobicContact CD1-CG2 4.3Å; L150-V160 HydrophobicContact CG-CG2 4.38Å; V160-V169 WeakPolarHBondContact O-CB 3.37Å; V160-V169 PolarHBondContact O-N 2.84Å; V160-Y170 HydrophobicContact CB-CD2 4.14Å; V160-Y170 HydrophobicContact CG1-CD2 4.21Å; V160-Y170 PolarHBondContact N-O 2.79Å; V160-Y170 PolarHBondContact O-N 2.84Å; V160-P206 HydrophobicContact CG2-CB 4.1Å; V160-W380 HydrophobicContact CG1-CH2 3.91Å; V160-W380 HydrophobicContact CG1-CZ3 3.91Å
161W98.6Very high97.2Very high9 Ų930.4 Ų30.43%0.03417%0.169CC..EExtended strand (participates in β ladder)trans-112.5145.3-173.5-53.690.3000110.8L129 E130 I148 L149 T151 F159 E167 L168L129-W161 HydrophobicContact CB-CD2 4.13Å; L129-W161 HydrophobicContact CB-CE3 4.22Å; L129-W161 HydrophobicContact CB-CH2 4.46Å; L129-W161 HydrophobicContact CB-CZ2 4.37Å; L129-W161 HydrophobicContact CB-CZ3 4.37Å; L129-W161 HydrophobicContact CD1-CB 3.97Å; L129-W161 HydrophobicContact CD1-CD2 4.05Å; L129-W161 HydrophobicContact CD1-CG 3.73Å; L129-W161 HydrophobicContact CD2-CB 4.39Å; L129-W161 HydrophobicContact CD2-CD2 4.17Å; L129-W161 HydrophobicContact CD2-CE3 3.9Å; L129-W161 HydrophobicContact CD2-CG 4.4Å; L129-W161 HydrophobicContact CG-CD2 4.34Å; L129-W161 HydrophobicContact CG-CE3 4.46Å; L129-W161 HydrophobicContact CG-CG 4.49Å; E130-W161 WeakPolarHBondContact O-CH2 3.29Å; I148-W161 WeakPolarHBondContact CA-O 3.46Å; L149-W161 PolarHBondContact N-O 2.65Å; L149-W161 PolarHBondContact O-N 3.3Å; T151-W161 PolarHBondContact OG1-NE1 2.9Å; F159-W161 HydrophobicContact CB-CZ2 3.78Å; F159-W161 VanDerWaalsContact CB-NE1 3.31Å; F159-W161 HydrophobicContact CD2-CH2 4.39Å; F159-W161 AromaticContact CD2-CZ2 3.52Å; F159-W161 HydrophobicContact CD2-CZ2 3.52Å; F159-W161 HydrophobicContact CE2-CZ2 4.34Å; F159-W161 AromaticContact CG-CZ2 3.84Å; F159-W161 HydrophobicContact CG-CZ2 3.84Å; W161-E167 WeakPolarHBondContact CA-O 3.5Å; W161-L168 HydrophobicContact CD2-CD1 4.12Å; W161-L168 HydrophobicContact CE3-CB 3.91Å; W161-L168 HydrophobicContact CE3-CD1 4.13Å; W161-L168 HydrophobicContact CH2-CB 4.23Å; W161-L168 HydrophobicContact CH2-CD1 4.11Å; W161-L168 HydrophobicContact CZ2-CD1 4.11Å; W161-L168 HydrophobicContact CZ3-CB 3.65Å; W161-L168 HydrophobicContact CZ3-CD1 4.13Å; W161-L168 HydrophobicContact CZ3-CG 4.43Å
162N97.8Very high97.2Very high10 Ų1030.8 Ų30.85%0.05317%0.171CC..EExtended strand (participates in β ladder)trans-92.3103.3157.3-178.5-15.1000107.6I148 G164 T165 G166 E167 V169 A377I148-N162 HydrophobicContact CD1-CB 4.44Å; N162-G164 PolarHBondContact O-N 2.97Å; N162-G164 PolarHBondContact OD1-N 3.02Å; N162-T165 PolarHBondContact O-N 2.99Å; N162-T165 PolarHBondContact O-OG1 3.16Å; N162-G166 WeakPolarHBondContact O-CA 3.38Å; N162-G166 PolarHBondContact O-N 2.96Å; N162-E167 PolarHBondContact N-O 2.95Å; N162-E167 PolarHBondContact O-N 2.95Å; N162-V169 HydrophobicContact CB-CG2 3.73Å; N162-A377 WeakPolarHBondContact ND2-CB 3.4Å
163V95.8Very high97Very high0 Ų032.5 Ų32.50%019%0.185CC..THydrogen-bonded Turntrans-65.7-24.2-178.1-179.80000111.9V110 V127 L129 W141 N147 L149 L408V110-V163 HydrophobicContact CB-CG1 4.08Å; V110-V163 HydrophobicContact CG1-CG1 3.94Å; V110-V163 HydrophobicContact CG2-CG1 3.71Å; V110-V163 HydrophobicContact CG2-CG2 4.45Å; V127-V163 HydrophobicContact CG2-CG1 4.47Å; L129-V163 HydrophobicContact CD1-CG2 4.42Å; W141-V163 HydrophobicContact CH2-CB 4.36Å; W141-V163 HydrophobicContact CH2-CG1 4.24Å; W141-V163 HydrophobicContact CH2-CG2 3.9Å; W141-V163 HydrophobicContact CZ3-CB 4.37Å; W141-V163 HydrophobicContact CZ3-CG2 3.84Å; N147-V163 HydrophobicContact CB-CB 4.41Å; N147-V163 WeakPolarHBondContact O-CB 3.29Å; N147-V163 WeakPolarHBondContact O-CG2 3.39Å; N147-V163 PolarHBondContact O-N 3.04Å; L149-V163 HydrophobicContact CB-CG2 3.57Å; L149-V163 HydrophobicContact CD2-CG2 4.07Å; L149-V163 HydrophobicContact CG-CG2 4.49Å; V163-L408 HydrophobicContact CG1-CD2 3.92Å
164G91.4Very high96.8Very high15 Ų1540 Ų4016%0.15522%0.224CC..THydrogen-bonded Turntrans-69.3-34.1178.600000113.5N162 L408N162-G164 PolarHBondContact O-N 2.97Å; N162-G164 PolarHBondContact OD1-N 3.02Å; G164-L408 CarbonylContact C-O 3.54Å; G164-L408 WeakPolarHBondContact CA-O 2.88Å
165T93.4Very high96.7Very high81 Ų8139.8 Ų39.850%0.49722%0.224SC..THydrogen-bonded Turntrans-99.7-20.4176.9630000112.9N162 E167N162-T165 PolarHBondContact O-N 2.99Å; N162-T165 PolarHBondContact O-OG1 3.16Å; T165-E167 WeakPolarHBondContact CB-OE2 3.27Å; T165-E167 WeakPolarHBondContact OG1-CB 3.42Å; T165-E167 WeakPolarHBondContact OG1-CG 3.45Å; T165-E167 PolarHBondContact OG1-N 3.29Å; T165-E167 PolarHBondContact OG1-OE2 3.08Å
166G93.9Very high96.7Very high29 Ų2939.1 Ų39.130%0.29922%0.22SC..THydrogen-bonded Turntrans77.79.5-171.400000113.3N162N162-G166 WeakPolarHBondContact O-CA 3.38Å; N162-G166 PolarHBondContact O-N 2.96Å
167E96.3Very high96.7Very high121 Ų12142 Ų4257%0.56524%0.24SC*.EExtended strand (participates in β ladder)trans-88.8144.1-173.8-65.5169.1148.900112.1W161 N162 T165W161-E167 WeakPolarHBondContact CA-O 3.5Å; N162-E167 PolarHBondContact N-O 2.95Å; N162-E167 PolarHBondContact O-N 2.95Å; T165-E167 WeakPolarHBondContact CB-OE2 3.27Å; T165-E167 WeakPolarHBondContact OG1-CB 3.42Å; T165-E167 WeakPolarHBondContact OG1-CG 3.45Å; T165-E167 PolarHBondContact OG1-N 3.29Å; T165-E167 PolarHBondContact OG1-OE2 3.08Å
168L97.8Very high96.7Very high71 Ų7143.6 Ų43.637%0.37225%0.248SC..EExtended strand (participates in β ladder)trans-75.5119.2165.8-179.463.8000108.9F159 W161 Y170 Q171F159-L168 HydrophobicContact CB-CD1 3.53Å; F159-L168 HydrophobicContact CD1-CD1 3.53Å; F159-L168 HydrophobicContact CD1-CD2 3.97Å; F159-L168 HydrophobicContact CD1-CG 4.4Å; F159-L168 HydrophobicContact CE1-CD1 4.38Å; F159-L168 HydrophobicContact CE1-CD2 4.02Å; F159-L168 HydrophobicContact CG-CD1 3.68Å; W161-L168 HydrophobicContact CD2-CD1 4.12Å; W161-L168 HydrophobicContact CE3-CB 3.91Å; W161-L168 HydrophobicContact CE3-CD1 4.13Å; W161-L168 HydrophobicContact CH2-CB 4.23Å; W161-L168 HydrophobicContact CH2-CD1 4.11Å; W161-L168 HydrophobicContact CZ2-CD1 4.11Å; W161-L168 HydrophobicContact CZ3-CB 3.65Å; W161-L168 HydrophobicContact CZ3-CD1 4.13Å; W161-L168 HydrophobicContact CZ3-CG 4.43Å; L168-Y170 WeakPolarHBondContact CD1-O 3.35Å; L168-Q171 HydrophobicContact CD2-CB 4.39Å
169V97.4Very high96.6Very high39 Ų3945.6 Ų45.624%0.23626%0.259CS..EExtended strand (participates in β ladder)trans-96.3-47.7-177.5-175.70000111V160 N162 I381V160-V169 WeakPolarHBondContact O-CB 3.37Å; V160-V169 PolarHBondContact O-N 2.84Å; N162-V169 HydrophobicContact CB-CG2 3.73Å; V169-I381 HydrophobicContact CB-CD1 4.42Å; V169-I381 HydrophobicContact CG1-CD1 3.6Å; V169-I381 HydrophobicContact CG1-CG1 3.7Å; V169-I381 HydrophobicContact CG1-CG2 4.06Å; V169-I381 HydrophobicContact CG2-CD1 3.9Å
170Y97.9Very high96.6Very high43 Ų4345.4 Ų45.417%0.16926%0.258CS..EExtended strand (participates in β ladder)trans-135.1147179.1-54.6-69000111.6F159 V160 L168 R207 W380 I381F159-Y170 WeakPolarHBondContact CA-O 3.44Å; V160-Y170 HydrophobicContact CB-CD2 4.14Å; V160-Y170 HydrophobicContact CG1-CD2 4.21Å; V160-Y170 PolarHBondContact N-O 2.79Å; V160-Y170 PolarHBondContact O-N 2.84Å; L168-Y170 WeakPolarHBondContact CD1-O 3.35Å; Y170-R207 HydrophobicContact CD2-CG 4.47Å; Y170-R207 HydrophobicContact CE1-CB 4.28Å; Y170-R207 WeakPolarHBondContact CE1-O 3.42Å; Y170-R207 HydrophobicContact CE2-CB 4.09Å; Y170-R207 HydrophobicContact CE2-CG 3.7Å; Y170-W380 HydrophobicContact CD2-CH2 4.06Å; Y170-W380 HydrophobicContact CD2-CZ3 4.02Å; Y170-W380 HydrophobicContact CE2-CE3 4.44Å; Y170-W380 AromaticContact CE2-CH2 3.9Å; Y170-W380 HydrophobicContact CE2-CH2 3.9Å; Y170-W380 AromaticContact CE2-CZ3 3.62Å; Y170-W380 HydrophobicContact CE2-CZ3 3.62Å; Y170-I381 HydrophobicContact CE2-CG1 4.45Å; Y170-I381 WeakPolarHBondContact OH-CA 3.48Å; Y170-I381 PolarHBondContact OH-O 3.37Å
171Q97.3Very high96.6Very high110 Ų11046.8 Ų46.851%0.51426%0.263SS..EExtended strand (participates in β ladder)trans-132.7129.1178.6169.3173.7-14.600110V157 F159 L168 A173V157-Q171 HydrophobicContact CG1-CG 4.04Å; F159-Q171 HydrophobicContact CD1-CB 3.94Å; F159-Q171 HydrophobicContact CD1-CG 3.91Å; F159-Q171 HydrophobicContact CE1-CB 4.04Å; F159-Q171 HydrophobicContact CE1-CG 3.58Å; L168-Q171 HydrophobicContact CD2-CB 4.39Å; Q171-A173 HydrophobicContact CG-CB 4.32Å
172L97.4Very high96.6Very high8 Ų847 Ų474%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-115.486174-48.8172.4000108.5V158 A175 I204 P206V158-L172 HydrophobicContact CB-CB 4.07Å; V158-L172 HydrophobicContact CB-CD1 4.02Å; V158-L172 HydrophobicContact CB-CG 4.34Å; V158-L172 HydrophobicContact CG1-CD1 4.16Å; V158-L172 PolarHBondContact N-O 3.2Å; V158-L172 VanDerWaalsContact N-O 3.15Å; V158-L172 PolarHBondContact O-N 3.01Å; L172-A175 HydrophobicContact CB-CB 4.16Å; L172-I204 HydrophobicContact CD1-CG2 3.83Å; L172-I204 HydrophobicContact CD2-CG2 4.49Å; L172-P206 HydrophobicContact CD1-CB 4.43Å
173A95.4Very high96.6Very high37 Ų3747.3 Ų47.331%0.30627%0.269SS..SBendtrans-84.1-35.1-177.700000113.2Q171Q171-A173 HydrophobicContact CG-CB 4.32Å
174D94.3Very high96.7Very high163 Ų16348.5 Ų48.587%0.87228%0.277SS*.SBendtrans-1054.5-170.6-55.8-56.7000113.4H176D174-H176 VanDerWaalsContact C-N 3.32Å; D174-H176 PolarHBondContact O-N 3.2Å
175A95.8Very high97.1Very high16 Ų1648.7 Ų48.713%0.13227%0.273CS..SBendtrans-72.5-26.7-177.200000112.8L172 R202 I204 V211L172-A175 HydrophobicContact CB-CB 4.16Å; A175-R202 WeakPolarHBondContact O-CD 3.35Å; A175-R202 PolarHBondContact O-NE 2.94Å; A175-I204 HydrophobicContact CB-CD1 4.22Å; A175-V211 HydrophobicContact CB-CG2 4.12Å
176H98.3Very high97.3Very high8 Ų846 Ų464%0.03726%0.255CS..  trans-130.3118.5-170.6-58.493.5000111.7D174 D178 I180 T194D174-H176 VanDerWaalsContact C-N 3.32Å; D174-H176 PolarHBondContact O-N 3.2Å; H176-D178 VanDerWaalsContact C-N 3.34Å; H176-D178 PolarHBondContact O-N 2.95Å; H176-I180 HydrophobicContact CB-CD1 4.16Å; H176-I180 HydrophobicContact CB-CG1 3.87Å; H176-T194 WeakPolarHBondContact NE2-CB 3.5Å; H176-T194 PolarHBondContact NE2-OG1 2.84Å
177P97.4Very high97.4Very high92 Ų9249.6 Ų49.660%0.59726%0.263SS*.SBendtrans-80.9-11.3-178.832.7-36.3000114D198P177-D198 WeakPolarHBondContact CD-OD2 3.43Å; P177-D198 HydrophobicContact CG-CB 4.06Å; P177-D198 WeakPolarHBondContact CG-OD2 3.49Å
178D98Very high97.4Very high52 Ų5246.1 Ų46.128%0.27825%0.248SC..SBendtrans-149.7-177.5-177.4-156-23.5000109.7N156 H176 I180 C196 K197N156-D178 WeakPolarHBondContact ND2-CA 3.2Å; N156-D178 PolarHBondContact OD1-O 3.13Å; H176-D178 VanDerWaalsContact C-N 3.34Å; H176-D178 PolarHBondContact O-N 2.95Å; D178-I180 PolarHBondContact O-N 2.96Å; D178-C196 PolarHBondContact O-SG 3Å; D178-K197 HydrophobicContact CB-CB 4.02Å; D178-K197 VanDerWaalsContact CG-NZ 3.28Å; D178-K197 IonicContact OD1-NZ 3.66Å; D178-K197 PolarHBondContact OD1-NZ 3.02Å; D178-K197 WeakPolarHBondContact OD2-CG 3.33Å; D178-K197 IonicContact OD2-NZ 2.99Å; D178-K197 PolarHBondContact OD2-NZ 3.49Å
179L97.8Very high97.4Very high44 Ų4442.7 Ų42.723%0.2323%0.23CC..  trans-51.6125.7-173.9-17662.2000112.6C154 N156 Y181 C196 K197C154-L179 HydrophobicContact CB-CD1 4.24Å; C154-L179 VanDerWaalsContact SG-CD1 3.56Å; N156-L179 VanDerWaalsContact OD1-CA 3.27Å; N156-L179 WeakPolarHBondContact OD1-CA 3.44Å; N156-L179 PolarHBondContact OD1-N 3.33Å; L179-Y181 HydrophobicContact CD2-CD1 4.22Å; L179-Y181 HydrophobicContact CD2-CE1 3.85Å; L179-Y181 HydrophobicContact CG-CD1 4.29Å; L179-Y181 HydrophobicContact CG-CE1 4.24Å; L179-C196 CarbonylContact O-C 3.47Å; L179-C196 WeakPolarHBondContact O-CA 3.4Å; L179-K197 HydrophobicContact CB-CB 4.09Å; L179-K197 HydrophobicContact CB-CD 4.21Å; L179-K197 PolarHBondContact O-N 3.37Å
180I98.6Very high97.4Very high5 Ų542 Ų423%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-77.3124.6172-56.2168.4000107.8I138 A152 V158 H176 D178 V183I138-I180 HydrophobicContact CD1-CB 4.39Å; I138-I180 HydrophobicContact CD1-CG2 3.92Å; I138-I180 WeakPolarHBondContact CD1-O 2.94Å; A152-I180 HydrophobicContact CB-CD1 4.09Å; A152-I180 HydrophobicContact CB-CG2 4.36Å; V158-I180 HydrophobicContact CG2-CD1 3.54Å; H176-I180 HydrophobicContact CB-CD1 4.16Å; H176-I180 HydrophobicContact CB-CG1 3.87Å; D178-I180 PolarHBondContact O-N 2.96Å; I180-V183 HydrophobicContact CG2-CG2 3.84Å
181Y98.3Very high97.4Very high30 Ų3040.3 Ų40.312%0.11822%0.222CC..EExtended strand (participates in β ladder)trans-94.2-33.1-178.3-71.6-42.4000113.4L179 V195 K197 P224 M225 R226L179-Y181 HydrophobicContact CD2-CD1 4.22Å; L179-Y181 HydrophobicContact CD2-CE1 3.85Å; L179-Y181 HydrophobicContact CG-CD1 4.29Å; L179-Y181 HydrophobicContact CG-CE1 4.24Å; Y181-V195 PolarHBondContact N-O 3Å; Y181-K197 HydrophobicContact CE1-CB 4.3Å; Y181-K197 HydrophobicContact CE2-CB 3.74Å; Y181-K197 HydrophobicContact CE2-CG 4.37Å; Y181-K197 WeakPolarHBondContact OH-CB 3.34Å; Y181-K197 WeakPolarHBondContact OH-CD 3.45Å; Y181-K197 VanDerWaalsContact OH-CG 3.29Å; Y181-K197 WeakPolarHBondContact OH-CG 3.42Å; Y181-P224 HydrophobicContact CD1-CB 3.84Å; Y181-P224 HydrophobicContact CD1-CG 4.33Å; Y181-P224 HydrophobicContact CD2-CB 4.25Å; Y181-P224 HydrophobicContact CE1-CB 3.82Å; Y181-P224 HydrophobicContact CE1-CG 3.87Å; Y181-P224 HydrophobicContact CE2-CB 4.21Å; Y181-P224 HydrophobicContact CG-CB 4.06Å; Y181-M225 WeakPolarHBondContact CB-O 3.28Å; Y181-M225 HydrophobicContact CD2-CG 3.83Å; Y181-M225 HydrophobicContact CE2-CG 4.48Å; Y181-R226 VanDerWaalsContact O-CZ 3.29Å; Y181-R226 PolarHBondContact O-NH1 2.79Å
182S98.1Very high97.4Very high14 Ų1435.1 Ų35.110%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-162147.8-177148.60000110.2T194 V195 A227S182-T194 VanDerWaalsContact O-CA 3.3Å; S182-T194 WeakPolarHBondContact O-CA 3.26Å; S182-V195 PolarHBondContact O-N 3.33Å; S182-V195 VanDerWaalsContact O-N 3.11Å; S182-A227 PolarHBondContact OG-N 2.94Å; S182-A227 PolarHBondContact OG-O 3.02Å
183V98.4Very high97.5Very high16 Ų1634.7 Ų34.710%0.09720%0.195CC..EExtended strand (participates in β ladder)trans-131.1140.9173.9-1770000108I138 L150 A152 I180 V192 C193 T194I138-V183 HydrophobicContact CG2-CB 4.11Å; I138-V183 HydrophobicContact CG2-CG2 4.08Å; L150-V183 HydrophobicContact CD1-CG1 3.93Å; L150-V183 HydrophobicContact CD2-CB 4.11Å; L150-V183 HydrophobicContact CD2-CG1 3.65Å; L150-V183 HydrophobicContact CD2-CG2 4.17Å; L150-V183 HydrophobicContact CG-CG1 4.49Å; A152-V183 HydrophobicContact CB-CG2 4.23Å; I180-V183 HydrophobicContact CG2-CG2 3.84Å; V183-V192 HydrophobicContact CG1-CB 4.09Å; V183-V192 HydrophobicContact CG1-CG1 4.32Å; V183-C193 CarbonylContact C-O 3.6Å; V183-C193 WeakPolarHBondContact CA-O 3.5Å; V183-T194 HydrophobicContact CB-CG2 4.34Å; V183-T194 HydrophobicContact CG1-CG2 4.05Å; V183-T194 HydrophobicContact CG2-CG2 3.88Å
184S98.4Very high97.6Very high24 Ų2433 Ų3317%0.16818%0.181CC..EExtended strand (participates in β ladder)trans-142.3131.9172177.10000109.9V192 C193 F229S184-V192 CarbonylContact O-C 3.48Å; S184-V192 VanDerWaalsContact O-CA 3.27Å; S184-V192 WeakPolarHBondContact O-CA 3.43Å; S184-C193 PolarHBondContact N-O 2.99Å; S184-C193 PolarHBondContact O-N 2.63Å; S184-F229 WeakPolarHBondContact O-CD2 3.08Å; S184-F229 PolarHBondContact OG-N 2.77Å
185W98.6Very high97.8Very high19 Ų1925.2 Ų25.27%0.07214%0.139CC..EExtended strand (participates in β ladder)trans-68.5148.9166.2-70.6104.7000110.8A140 W141 H142 P143 L150 G189 V192 P206 F229 W380A140-W185 PolarHBondContact O-NE1 2.86Å; W141-W185 VanDerWaalsContact O-CD1 3.28Å; H142-W185 AromaticContact CD2-CH2 3.71Å; H142-W185 AromaticContact CD2-CZ2 3.88Å; H142-W185 AromaticContact CD2-CZ3 3.84Å; P143-W185 HydrophobicContact CG-CB 4.08Å; L150-W185 HydrophobicContact CB-CZ2 3.94Å; L150-W185 HydrophobicContact CD1-CH2 4.5Å; L150-W185 HydrophobicContact CD1-CZ2 3.86Å; W185-G189 WeakPolarHBondContact CZ3-O 3.3Å; W185-V192 HydrophobicContact CD2-CG1 3.45Å; W185-V192 VanDerWaalsContact CD2-CG1 3.45Å; W185-V192 HydrophobicContact CE3-CG1 3.29Å; W185-V192 HydrophobicContact CG-CG1 4.11Å; W185-V192 HydrophobicContact CH2-CG1 3.98Å; W185-V192 HydrophobicContact CZ2-CG1 4.11Å; W185-V192 HydrophobicContact CZ3-CG1 3.57Å; W185-P206 HydrophobicContact CH2-CB 4.47Å; W185-P206 HydrophobicContact CH2-CG 3.58Å; W185-P206 HydrophobicContact CZ3-CG 3.64Å; W185-F229 VanDerWaalsContact C-CD2 3.48Å; W185-W380 AromaticContact CH2-CH2 3.84Å; W185-W380 HydrophobicContact CH2-CH2 3.84Å; W185-W380 AromaticContact CH2-CZ2 3.58Å; W185-W380 HydrophobicContact CH2-CZ2 3.58Å; W185-W380 AromaticContact CZ3-CZ2 3.88Å; W185-W380 HydrophobicContact CZ3-CZ2 3.88Å
186N98.1Very high97.9Very high25 Ų2524.4 Ų24.413%0.13413%0.133CC..  trans-77175162.268.2-13.8000110.4P143 D188 G189 S190 A191 F229P143-N186 WeakPolarHBondContact CG-O 3.42Å; N186-D188 PolarHBondContact ND2-OD1 2.87Å; N186-D188 PolarHBondContact O-N 2.83Å; N186-D188 PolarHBondContact OD1-OD1 2.79Å; N186-G189 PolarHBondContact O-N 2.95Å; N186-G189 VanDerWaalsContact O-N 3.16Å; N186-G189 WeakPolarHBondContact OD1-CA 3.34Å; N186-G189 PolarHBondContact OD1-N 3.44Å; N186-S190 PolarHBondContact ND2-OG 3.41Å; N186-S190 PolarHBondContact OD1-N 2.8Å; N186-A191 PolarHBondContact N-O 2.83Å; N186-A191 PolarHBondContact ND2-N 2.87Å; N186-A191 PolarHBondContact OD1-N 2.9Å; N186-A191 PolarHBondContact OD1-O 2.76Å; N186-F229 VanDerWaalsContact CA-CD2 3.49Å; N186-F229 HydrophobicContact CB-CB 4.29Å; N186-F229 HydrophobicContact CB-CD1 4.06Å; N186-F229 HydrophobicContact CB-CD2 3.62Å; N186-F229 HydrophobicContact CB-CE1 4.22Å; N186-F229 HydrophobicContact CB-CE2 3.71Å; N186-F229 HydrophobicContact CB-CG 3.76Å; N186-F229 HydrophobicContact CB-CZ 4.05Å; N186-F229 VanDerWaalsContact N-CD2 3.28Å
187K96.1Very high97.9Very high105 Ų10528.7 Ų28.746%0.45715%0.152SC..THydrogen-bonded Turntrans-58.6-40-169.9-176176.1178.7177.60114.5C144 A231 P388C144-K187 PolarHBondContact SG-O 3.05Å; C144-K187 VanDerWaalsContact SG-O 3.34Å; K187-A231 HydrophobicContact CD-CB 4.49Å; K187-P388 HydrophobicContact CG-CG 4.34Å; K187-P388 WeakPolarHBondContact O-CG 3.48Å
188D96Very high97.9Very high47 Ų4726.8 Ų26.825%0.25114%0.136SC..THydrogen-bonded Turntrans-91.7-11.2-179.959.96.3000113.2C144 N186 S190C144-D188 PolarHBondContact SG-O 3.49Å; N186-D188 PolarHBondContact ND2-OD1 2.87Å; N186-D188 PolarHBondContact O-N 2.83Å; N186-D188 PolarHBondContact OD1-OD1 2.79Å; D188-S190 VanDerWaalsContact C-N 3.32Å; D188-S190 VanDerWaalsContact CG-OG 3.29Å; D188-S190 WeakPolarHBondContact OD1-CB 3.2Å; D188-S190 PolarHBondContact OD1-N 2.84Å; D188-S190 PolarHBondContact OD1-OG 2.86Å; D188-S190 PolarHBondContact OD2-OG 2.83Å
189G97.2Very high97.9Very high0 Ų027 Ų270%014%0.135CC..SBendtrans73.919-17600000114.3H142 W185 N186 A191 W380H142-G189 WeakPolarHBondContact NE2-CA 3.12Å; H142-G189 PolarHBondContact NE2-O 3.47Å; H142-G189 VanDerWaalsContact NE2-O 3.13Å; W185-G189 WeakPolarHBondContact CZ3-O 3.3Å; N186-G189 PolarHBondContact O-N 2.95Å; N186-G189 VanDerWaalsContact O-N 3.16Å; N186-G189 WeakPolarHBondContact OD1-CA 3.34Å; N186-G189 PolarHBondContact OD1-N 3.44Å; G189-A191 VanDerWaalsContact C-N 3.31Å; G189-W380 PolarHBondContact O-NE1 2.81Å; G189-W380 VanDerWaalsContact O-NE1 3.15Å
190S97.3Very high97.9Very high23 Ų2324.9 Ų24.916%0.16112%0.124CC..SBendtrans-72.7-24172.6590000113N186 D188 D385N186-S190 PolarHBondContact ND2-OG 3.41Å; N186-S190 PolarHBondContact OD1-N 2.8Å; D188-S190 VanDerWaalsContact C-N 3.32Å; D188-S190 VanDerWaalsContact CG-OG 3.29Å; D188-S190 WeakPolarHBondContact OD1-CB 3.2Å; D188-S190 PolarHBondContact OD1-N 2.84Å; D188-S190 PolarHBondContact OD1-OG 2.86Å; D188-S190 PolarHBondContact OD2-OG 2.83Å; S190-D385 WeakPolarHBondContact CB-OD1 3.39Å
191A97.9Very high97.9Very high8 Ų824.7 Ų24.77%0.06612%0.123CC..  trans-146.2158.8-178.100000112.9N186 G189 I203 I204N186-A191 PolarHBondContact N-O 2.83Å; N186-A191 PolarHBondContact ND2-N 2.87Å; N186-A191 PolarHBondContact OD1-N 2.9Å; N186-A191 PolarHBondContact OD1-O 2.76Å; G189-A191 VanDerWaalsContact C-N 3.31Å; A191-I203 HydrophobicContact CB-CG2 4.25Å; A191-I204 WeakPolarHBondContact CA-O 3.21Å
192V98.6Very high97.9Very high1 Ų124.3 Ų24.31%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-119.3145.3171.6-62.10000111L150 V183 S184 W185 T194 I203 I204L150-V192 HydrophobicContact CD1-CG1 3.82Å; V183-V192 HydrophobicContact CG1-CB 4.09Å; V183-V192 HydrophobicContact CG1-CG1 4.32Å; S184-V192 CarbonylContact O-C 3.48Å; S184-V192 VanDerWaalsContact O-CA 3.27Å; S184-V192 WeakPolarHBondContact O-CA 3.43Å; W185-V192 HydrophobicContact CD2-CG1 3.45Å; W185-V192 VanDerWaalsContact CD2-CG1 3.45Å; W185-V192 HydrophobicContact CE3-CG1 3.29Å; W185-V192 HydrophobicContact CG-CG1 4.11Å; W185-V192 HydrophobicContact CH2-CG1 3.98Å; W185-V192 HydrophobicContact CZ2-CG1 4.11Å; W185-V192 HydrophobicContact CZ3-CG1 3.57Å; V192-T194 HydrophobicContact CG2-CG2 4.25Å; V192-I203 WeakPolarHBondContact O-CA 3.43Å; V192-I204 HydrophobicContact CG2-CB 3.91Å; V192-I204 PolarHBondContact N-O 2.97Å; V192-I204 PolarHBondContact O-N 3.29Å
193C98.6Very high98Very high0 Ų024.2 Ų24.20%012%0.119CC..EExtended strand (participates in β ladder)trans-103.6139165.972.70000108.8V183 S184 L201 R202 F229 I235V183-C193 CarbonylContact C-O 3.6Å; V183-C193 WeakPolarHBondContact CA-O 3.5Å; S184-C193 PolarHBondContact N-O 2.99Å; S184-C193 PolarHBondContact O-N 2.63Å; C193-L201 HydrophobicContact CB-CD1 4.09Å; C193-R202 CarbonylContact C-O 3.57Å; C193-R202 VanDerWaalsContact CA-O 3.27Å; C193-R202 WeakPolarHBondContact CA-O 3.16Å; C193-F229 HydrophobicContact CB-CD2 3.89Å; C193-F229 HydrophobicContact CB-CE1 4.48Å; C193-F229 HydrophobicContact CB-CE2 3.49Å; C193-F229 VanDerWaalsContact CB-CE2 3.49Å; C193-F229 HydrophobicContact CB-CZ 3.8Å; C193-I235 HydrophobicContact CB-CD1 3.9Å; C193-I235 HydrophobicContact CB-CG1 4.43Å
194T98.6Very high98Very high0 Ų023.4 Ų23.40%012%0.115CC..EExtended strand (participates in β ladder)trans-135.2145.1-178.562.90000110.1H176 S182 V183 V192 L201 R202 I204H176-T194 WeakPolarHBondContact NE2-CB 3.5Å; H176-T194 PolarHBondContact NE2-OG1 2.84Å; S182-T194 VanDerWaalsContact O-CA 3.3Å; S182-T194 WeakPolarHBondContact O-CA 3.26Å; V183-T194 HydrophobicContact CB-CG2 4.34Å; V183-T194 HydrophobicContact CG1-CG2 4.05Å; V183-T194 HydrophobicContact CG2-CG2 3.88Å; V192-T194 HydrophobicContact CG2-CG2 4.25Å; T194-L201 CarbonylContact O-C 3.58Å; T194-L201 WeakPolarHBondContact O-CA 3.49Å; T194-R202 PolarHBondContact N-O 3.3Å; T194-R202 PolarHBondContact O-N 2.91Å; T194-I204 HydrophobicContact CG2-CD1 4.14Å
195V98.5Very high97.9Very high0 Ų023.1 Ų23.10%011%0.111CC..EExtended strand (participates in β ladder)trans-122.6137.4172.3-77.40000110.4Y181 S182 A200 L201 M225 A227Y181-V195 PolarHBondContact N-O 3Å; S182-V195 PolarHBondContact O-N 3.33Å; S182-V195 VanDerWaalsContact O-N 3.11Å; V195-A200 WeakPolarHBondContact CA-O 3.31Å; V195-L201 HydrophobicContact CG1-CB 4.22Å; V195-L201 HydrophobicContact CG1-CD1 3.85Å; V195-M225 HydrophobicContact CB-CG 3.67Å; V195-M225 HydrophobicContact CB-SD 3.58Å; V195-M225 VanDerWaalsContact CB-SD 3.58Å; V195-M225 HydrophobicContact CG1-CG 4.23Å; V195-M225 HydrophobicContact CG1-SD 3.7Å; V195-M225 HydrophobicContact CG2-CB 4.45Å; V195-M225 HydrophobicContact CG2-CG 3.92Å; V195-M225 HydrophobicContact CG2-SD 4.45Å; V195-A227 HydrophobicContact CB-CB 4.49Å; V195-A227 HydrophobicContact CG1-CB 3.62Å; V195-A227 HydrophobicContact CG2-CB 4.11Å
196C97.9Very high97.8Very high0 Ų022.2 Ų22.20%011%0.108CC..EExtended strand (participates in β ladder)trans-126.2159.9-170.4174.70000111.3D178 L179 D198 K199 A200D178-C196 PolarHBondContact O-SG 3Å; L179-C196 CarbonylContact O-C 3.47Å; L179-C196 WeakPolarHBondContact O-CA 3.4Å; C196-D198 WeakPolarHBondContact CB-OD1 3.47Å; C196-D198 PolarHBondContact O-N 3.36Å; C196-D198 VanDerWaalsContact SG-CG 3.59Å; C196-D198 PolarHBondContact SG-OD1 2.93Å; C196-D198 VanDerWaalsContact SG-OD1 3.4Å; C196-K199 WeakPolarHBondContact O-CA 3.49Å; C196-K199 PolarHBondContact O-N 3.08Å; C196-A200 PolarHBondContact N-O 3.29Å
197K97.9Very high97.7Very high98 Ų9822.8 Ų22.843%0.42611%0.108SC..THydrogen-bonded Turntrans-62-18.6177.1180161.6157.1-87.20114.1D178 L179 Y181 K199D178-K197 HydrophobicContact CB-CB 4.02Å; D178-K197 VanDerWaalsContact CG-NZ 3.28Å; D178-K197 IonicContact OD1-NZ 3.66Å; D178-K197 PolarHBondContact OD1-NZ 3.02Å; D178-K197 WeakPolarHBondContact OD2-CG 3.33Å; D178-K197 IonicContact OD2-NZ 2.99Å; D178-K197 PolarHBondContact OD2-NZ 3.49Å; L179-K197 HydrophobicContact CB-CB 4.09Å; L179-K197 HydrophobicContact CB-CD 4.21Å; L179-K197 PolarHBondContact O-N 3.37Å; Y181-K197 HydrophobicContact CE1-CB 4.3Å; Y181-K197 HydrophobicContact CE2-CB 3.74Å; Y181-K197 HydrophobicContact CE2-CG 4.37Å; Y181-K197 WeakPolarHBondContact OH-CB 3.34Å; Y181-K197 WeakPolarHBondContact OH-CD 3.45Å; Y181-K197 VanDerWaalsContact OH-CG 3.29Å; Y181-K197 WeakPolarHBondContact OH-CG 3.42Å; K197-K199 PolarHBondContact O-N 3.08Å; K197-K199 VanDerWaalsContact O-N 3.16Å
198D97.4Very high97.6Very high52 Ų5226.7 Ų26.728%0.27812%0.12SC..THydrogen-bonded Turntrans-69.10.7166.573-6.8000114.1P177 C196 A200 R202P177-D198 WeakPolarHBondContact CD-OD2 3.43Å; P177-D198 HydrophobicContact CG-CB 4.06Å; P177-D198 WeakPolarHBondContact CG-OD2 3.49Å; C196-D198 WeakPolarHBondContact CB-OD1 3.47Å; C196-D198 PolarHBondContact O-N 3.36Å; C196-D198 VanDerWaalsContact SG-CG 3.59Å; C196-D198 PolarHBondContact SG-OD1 2.93Å; C196-D198 VanDerWaalsContact SG-OD1 3.4Å; D198-A200 VanDerWaalsContact C-N 3.27Å; D198-A200 PolarHBondContact O-N 3.33Å; D198-A200 WeakPolarHBondContact OD1-CB 3.4Å; D198-A200 PolarHBondContact OD1-N 3.48Å; D198-R202 IonicContact OD1-NH1 3.99Å; D198-R202 PolarHBondContact OD1-NH1 2.92Å; D198-R202 IonicContact OD2-CZ 3.38Å; D198-R202 IonicContact OD2-NH1 2.81Å; D198-R202 PolarHBondContact OD2-NH1 2.8Å; D198-R202 IonicContact OD2-NH2 2.99Å; D198-R202 PolarHBondContact OD2-NH2 3.43Å
199K97.7Very high97.4Very high55 Ų5526.8 Ų26.824%0.23913%0.132CC..SBendtrans70.513.8-179.5-46.3-177.9-178.6-169.60114.8C196 K197 K217 V218 D220 G221 M225C196-K199 WeakPolarHBondContact O-CA 3.49Å; C196-K199 PolarHBondContact O-N 3.08Å; K197-K199 PolarHBondContact O-N 3.08Å; K197-K199 VanDerWaalsContact O-N 3.16Å; K199-K217 WeakPolarHBondContact O-CA 3.37Å; K199-K217 PolarHBondContact O-N 3.15Å; K199-V218 PolarHBondContact O-N 3.28Å; K199-V218 VanDerWaalsContact O-N 3.08Å; K199-D220 PolarHBondContact NZ-O 3.33Å; K199-G221 WeakPolarHBondContact CE-O 3.41Å; K199-G221 PolarHBondContact NZ-O 2.94Å; K199-M225 HydrophobicContact CB-CE 4.1Å
200A98.1Very high97.3Very high1 Ų128.3 Ų28.31%0.00814%0.144CC..  trans-97.6140.8179.300000112.9V195 C196 D198 V214 R215V195-A200 WeakPolarHBondContact CA-O 3.31Å; C196-A200 PolarHBondContact N-O 3.29Å; D198-A200 VanDerWaalsContact C-N 3.27Å; D198-A200 PolarHBondContact O-N 3.33Å; D198-A200 WeakPolarHBondContact OD1-CB 3.4Å; D198-A200 PolarHBondContact OD1-N 3.48Å; A200-V214 HydrophobicContact CB-CG1 4.08Å; A200-R215 CarbonylContact C-O 3.08Å; A200-R215 WeakPolarHBondContact CA-O 3.34Å; A200-R215 WeakPolarHBondContact CB-O 3.12Å
201L98.6Very high97.3Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-92.9129165.1169.769.2000107.8C193 T194 V195 V214 R215 V218 A227 I235 T237 L256C193-L201 HydrophobicContact CB-CD1 4.09Å; T194-L201 CarbonylContact O-C 3.58Å; T194-L201 WeakPolarHBondContact O-CA 3.49Å; V195-L201 HydrophobicContact CG1-CB 4.22Å; V195-L201 HydrophobicContact CG1-CD1 3.85Å; L201-V214 WeakPolarHBondContact O-CA 3.39Å; L201-R215 PolarHBondContact N-O 2.91Å; L201-R215 PolarHBondContact O-N 2.99Å; L201-V218 HydrophobicContact CB-CG1 4.49Å; L201-V218 HydrophobicContact CB-CG2 3.31Å; L201-V218 VanDerWaalsContact N-CG2 3.29Å; L201-A227 HydrophobicContact CD1-CB 3.98Å; L201-I235 HydrophobicContact CD1-CD1 4.48Å; L201-I235 HydrophobicContact CD1-CG2 4.16Å; L201-I235 HydrophobicContact CD2-CD1 4.13Å; L201-I235 HydrophobicContact CD2-CG2 4.07Å; L201-T237 HydrophobicContact CD2-CG2 4.35Å; L201-L256 HydrophobicContact CD2-CD2 4.12Å
202R98.6Very high97.2Very high23 Ų2333.5 Ų33.59%0.08717%0.171CC..EExtended strand (participates in β ladder)trans-121.4136.7176.5-59.9172.6168.569.53110.1A175 C193 T194 D198 I204 V211 K213 V214A175-R202 WeakPolarHBondContact O-CD 3.35Å; A175-R202 PolarHBondContact O-NE 2.94Å; C193-R202 CarbonylContact C-O 3.57Å; C193-R202 VanDerWaalsContact CA-O 3.27Å; C193-R202 WeakPolarHBondContact CA-O 3.16Å; T194-R202 PolarHBondContact N-O 3.3Å; T194-R202 PolarHBondContact O-N 2.91Å; D198-R202 IonicContact OD1-NH1 3.99Å; D198-R202 PolarHBondContact OD1-NH1 2.92Å; D198-R202 IonicContact OD2-CZ 3.38Å; D198-R202 IonicContact OD2-NH1 2.81Å; D198-R202 PolarHBondContact OD2-NH1 2.8Å; D198-R202 IonicContact OD2-NH2 2.99Å; D198-R202 PolarHBondContact OD2-NH2 3.43Å; R202-I204 HydrophobicContact CB-CD1 4.06Å; R202-I204 HydrophobicContact CB-CG1 3.93Å; R202-V211 HydrophobicContact CB-CG1 4.16Å; R202-V211 HydrophobicContact CG-CG1 4.29Å; R202-K213 WeakPolarHBondContact CA-O 3.35Å; R202-V214 HydrophobicContact CG-CG1 4.28Å; R202-V214 HydrophobicContact CG-CG2 4.19Å
203I98.6Very high97.2Very high11 Ų1137.2 Ų37.26%0.05619%0.187CC..EExtended strand (participates in β ladder)trans-102.2124.6165.3-57.1177.8000106.7A191 V192 L212 K213 F229 I235 A253 L256A191-I203 HydrophobicContact CB-CG2 4.25Å; V192-I203 WeakPolarHBondContact O-CA 3.43Å; I203-L212 HydrophobicContact CG2-CB 4.47Å; I203-L212 HydrophobicContact CG2-CD1 4.3Å; I203-L212 WeakPolarHBondContact O-CB 3.36Å; I203-L212 PolarHBondContact O-N 2.95Å; I203-K213 HydrophobicContact CB-CB 4.3Å; I203-K213 HydrophobicContact CD1-CB 4.45Å; I203-K213 HydrophobicContact CD1-CD 4.39Å; I203-K213 PolarHBondContact N-O 2.92Å; I203-K213 PolarHBondContact O-N 3.35Å; I203-F229 HydrophobicContact CG2-CZ 4.26Å; I203-I235 HydrophobicContact CD1-CD1 3.64Å; I203-I235 HydrophobicContact CG1-CD1 3.74Å; I203-A253 HydrophobicContact CD1-CB 3.72Å; I203-L256 HydrophobicContact CD1-CD1 4.05Å; I203-L256 HydrophobicContact CG1-CD1 4.34Å
204I98.6Very high97.2Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-129.7134.8-169.8-50.7177.5000108.7L172 A175 A191 V192 T194 R202 P206 A210 V211L172-I204 HydrophobicContact CD1-CG2 3.83Å; L172-I204 HydrophobicContact CD2-CG2 4.49Å; A175-I204 HydrophobicContact CB-CD1 4.22Å; A191-I204 WeakPolarHBondContact CA-O 3.21Å; V192-I204 HydrophobicContact CG2-CB 3.91Å; V192-I204 PolarHBondContact N-O 2.97Å; V192-I204 PolarHBondContact O-N 3.29Å; T194-I204 HydrophobicContact CG2-CD1 4.14Å; R202-I204 HydrophobicContact CB-CD1 4.06Å; R202-I204 HydrophobicContact CB-CG1 3.93Å; I204-P206 WeakPolarHBondContact O-CD 3.42Å; I204-A210 WeakPolarHBondContact CA-O 3.47Å; I204-A210 WeakPolarHBondContact CG2-O 3.01Å; I204-V211 HydrophobicContact CD1-CG2 4.41Å; I204-V211 HydrophobicContact CG1-CG1 4.47Å; I204-V211 HydrophobicContact CG1-CG2 4.23Å
205D97.7Very high97.1Very high17 Ų1744.6 Ų44.69%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-89.3107.6161.9-177.5-30000107.6R207 R208 G209 A210 L212D205-R207 VanDerWaalsContact C-N 3.29Å; D205-R207 PolarHBondContact O-N 3Å; D205-R207 WeakPolarHBondContact OD1-CB 3.45Å; D205-R207 PolarHBondContact OD1-N 3.33Å; D205-R207 IonicContact OD1-NE 2.87Å; D205-R208 HydrophobicContact CB-CB 4.2Å; D205-R208 HydrophobicContact CB-CG 4.41Å; D205-R208 PolarHBondContact O-N 3.03Å; D205-R208 PolarHBondContact OD1-N 2.79Å; D205-R208 WeakPolarHBondContact OD2-CD 3.39Å; D205-R208 WeakPolarHBondContact OD2-CG 3.44Å; D205-G209 PolarHBondContact O-N 2.85Å; D205-A210 PolarHBondContact N-O 3.43Å; D205-A210 PolarHBondContact O-N 3.25Å; D205-A210 VanDerWaalsContact O-N 3.16Å; D205-L212 HydrophobicContact CB-CD1 4.11Å; D205-L212 HydrophobicContact CB-CD2 4.05Å; D205-L212 HydrophobicContact CB-CG 4.13Å
206P96.4Very high97.1Very high1 Ų151.1 Ų51.11%0.00625%0.254CS..THydrogen-bonded Turntrans-68.9-28.1-175.426.9-32.3000112.8V160 L172 W185 I204 R208 G209 W380V160-P206 HydrophobicContact CG2-CB 4.1Å; L172-P206 HydrophobicContact CD1-CB 4.43Å; W185-P206 HydrophobicContact CH2-CB 4.47Å; W185-P206 HydrophobicContact CH2-CG 3.58Å; W185-P206 HydrophobicContact CZ3-CG 3.64Å; I204-P206 WeakPolarHBondContact O-CD 3.42Å; P206-R208 VanDerWaalsContact C-N 3.35Å; P206-G209 PolarHBondContact O-N 2.91Å; P206-W380 HydrophobicContact CG-CH2 4.33Å; P206-W380 HydrophobicContact CG-CZ2 4.14Å
207R95.8Very high96.9Very high37 Ų3757.6 Ų57.614%0.1428%0.282CS..THydrogen-bonded Turntrans-71.2-35.1-179-59.8175-68.2-163-3.5111.4Y170 D205 W380 G383 Q384 D385Y170-R207 HydrophobicContact CD2-CG 4.47Å; Y170-R207 HydrophobicContact CE1-CB 4.28Å; Y170-R207 WeakPolarHBondContact CE1-O 3.42Å; Y170-R207 HydrophobicContact CE2-CB 4.09Å; Y170-R207 HydrophobicContact CE2-CG 3.7Å; D205-R207 VanDerWaalsContact C-N 3.29Å; D205-R207 PolarHBondContact O-N 3Å; D205-R207 WeakPolarHBondContact OD1-CB 3.45Å; D205-R207 PolarHBondContact OD1-N 3.33Å; D205-R207 IonicContact OD1-NE 2.87Å; R207-W380 VanDerWaalsContact CD-O 3.25Å; R207-W380 WeakPolarHBondContact CD-O 3.33Å; R207-W380 HydrophobicContact CG-CH2 3.85Å; R207-W380 HydrophobicContact CG-CZ2 3.68Å; R207-W380 HydrophobicContact CG-CZ3 4.39Å; R207-W380 PolarHBondContact NH1-O 2.96Å; R207-G383 PolarHBondContact NH1-O 2.87Å; R207-Q384 PolarHBondContact NH1-O 3.21Å; R207-Q384 VanDerWaalsContact NH1-O 3.1Å; R207-D385 IonicContact CZ-OD1 3.79Å; R207-D385 IonicContact NH1-OD1 3.28Å; R207-D385 PolarHBondContact NH1-OD1 3.05Å; R207-D385 IonicContact NH1-OD2 3.77Å; R207-D385 IonicContact NH2-OD1 3.04Å; R207-D385 PolarHBondContact NH2-OD1 2.74Å; R207-D385 IonicContact NH2-OD2 3.84Å; R207-D385 PolarHBondContact NH2-OD2 2.75Å
208R93.6Very high96.9Very high187 Ų18753.4 Ų53.471%0.70626%0.264SS*.THydrogen-bonded Turntrans-87.1-8.1179.3-63.1177.369.1173.30.2113.5D205 P206 A210D205-R208 HydrophobicContact CB-CB 4.2Å; D205-R208 HydrophobicContact CB-CG 4.41Å; D205-R208 PolarHBondContact O-N 3.03Å; D205-R208 PolarHBondContact OD1-N 2.79Å; D205-R208 WeakPolarHBondContact OD2-CD 3.39Å; D205-R208 WeakPolarHBondContact OD2-CG 3.44Å; P206-R208 VanDerWaalsContact C-N 3.35Å; R208-A210 HydrophobicContact CB-CB 3.85Å; R208-A210 PolarHBondContact O-N 2.83Å
209G92.3Very high96.9Very high49 Ų4951.2 Ų51.251%0.50525%0.252SS..THydrogen-bonded Turntrans6320.3-170.200000113.4D205 P206D205-G209 PolarHBondContact O-N 2.85Å; P206-G209 PolarHBondContact O-N 2.91Å
210A93.8Very high96.8Very high31 Ų3153 Ų5326%0.25627%0.265SS..EExtended strand (participates in β ladder)trans-112.5124.5-163.300000111.8I204 D205 R208 L212I204-A210 WeakPolarHBondContact CA-O 3.47Å; I204-A210 WeakPolarHBondContact CG2-O 3.01Å; D205-A210 PolarHBondContact N-O 3.43Å; D205-A210 PolarHBondContact O-N 3.25Å; D205-A210 VanDerWaalsContact O-N 3.16Å; R208-A210 HydrophobicContact CB-CB 3.85Å; R208-A210 PolarHBondContact O-N 2.83Å; A210-L212 HydrophobicContact CB-CD2 4.48Å; A210-L212 PolarHBondContact O-N 3.2Å
211V97.4Very high96.6Very high58 Ų5853.3 Ų53.335%0.35227%0.267SS..EExtended strand (participates in β ladder)trans-75.8105.6167.8-1760000108.2A175 R202 I204 V214A175-V211 HydrophobicContact CB-CG2 4.12Å; R202-V211 HydrophobicContact CB-CG1 4.16Å; R202-V211 HydrophobicContact CG-CG1 4.29Å; I204-V211 HydrophobicContact CD1-CG2 4.41Å; I204-V211 HydrophobicContact CG1-CG1 4.47Å; I204-V211 HydrophobicContact CG1-CG2 4.23Å; V211-V214 HydrophobicContact CG1-CG2 3.38Å
212L97.3Very high96.3Very high83 Ų8358.8 Ų58.844%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-72-41.2-177.3-57.4-177.9000111.6I203 D205 A210I203-L212 HydrophobicContact CG2-CB 4.47Å; I203-L212 HydrophobicContact CG2-CD1 4.3Å; I203-L212 WeakPolarHBondContact O-CB 3.36Å; I203-L212 PolarHBondContact O-N 2.95Å; D205-L212 HydrophobicContact CB-CD1 4.11Å; D205-L212 HydrophobicContact CB-CD2 4.05Å; D205-L212 HydrophobicContact CB-CG 4.13Å; A210-L212 HydrophobicContact CB-CD2 4.48Å; A210-L212 PolarHBondContact O-N 3.2Å
213K97.7Very high96.1Very high79 Ų7961.9 Ų61.934%0.34331%0.313SS..EExtended strand (participates in β ladder)trans-147.4149.6-179.7-60.8-172.4-177.2177.60111.4R202 I203 A253 K254 L256R202-K213 WeakPolarHBondContact CA-O 3.35Å; I203-K213 HydrophobicContact CB-CB 4.3Å; I203-K213 HydrophobicContact CD1-CB 4.45Å; I203-K213 HydrophobicContact CD1-CD 4.39Å; I203-K213 PolarHBondContact N-O 2.92Å; I203-K213 PolarHBondContact O-N 3.35Å; K213-A253 WeakPolarHBondContact CD-O 3.33Å; K213-A253 PolarHBondContact NZ-O 2.81Å; K213-K254 PolarHBondContact NZ-O 2.73Å; K213-L256 HydrophobicContact CB-CD1 3.83Å; K213-L256 HydrophobicContact CD-CD1 4.42Å
214V97.9Very high96Very high75 Ų7562.5 Ų62.546%0.45532%0.318SS..EExtended strand (participates in β ladder)trans-132.9132.9174.3-1730000109A200 L201 R202 V211 E216A200-V214 HydrophobicContact CB-CG1 4.08Å; L201-V214 WeakPolarHBondContact O-CA 3.39Å; R202-V214 HydrophobicContact CG-CG1 4.28Å; R202-V214 HydrophobicContact CG-CG2 4.19Å; V211-V214 HydrophobicContact CG1-CG2 3.38Å; V214-E216 HydrophobicContact CG1-CG 4.43Å
215R98Very high95.9Very high80 Ų8062.7 Ų62.730%0.30232%0.318SS..EExtended strand (participates in β ladder)trans-119.2113.5163.417352.7-177.3-152.9-4.1109.2A200 L201 V218 W251 L256 S257A200-R215 CarbonylContact C-O 3.08Å; A200-R215 WeakPolarHBondContact CA-O 3.34Å; A200-R215 WeakPolarHBondContact CB-O 3.12Å; L201-R215 PolarHBondContact N-O 2.91Å; L201-R215 PolarHBondContact O-N 2.99Å; R215-V218 HydrophobicContact CB-CG2 4.36Å; R215-V218 HydrophobicContact CG-CG2 4Å; R215-V218 VanDerWaalsContact O-CG2 3.32Å; R215-V218 WeakPolarHBondContact O-CG2 3.5Å; R215-W251 HydrophobicContact CG-CH2 4.28Å; R215-W251 HydrophobicContact CG-CZ3 4.05Å; R215-L256 HydrophobicContact CB-CB 3.83Å; R215-L256 HydrophobicContact CB-CD1 4.12Å; R215-L256 VanDerWaalsContact CD-O 3.25Å; R215-L256 WeakPolarHBondContact CD-O 3.46Å; R215-L256 HydrophobicContact CG-CB 4.44Å; R215-S257 VanDerWaalsContact CZ-O 3.26Å; R215-S257 PolarHBondContact NH1-O 2.76Å; R215-S257 PolarHBondContact NH2-O 2.94Å
216E97.2Very high96Very high137 Ų13763.1 Ų63.164%0.6432%0.319SS*.SBendtrans-75.9151.7171.6-61.5-175.2177.900111.6V214 V218V214-E216 HydrophobicContact CG1-CG 4.43Å; E216-V218 PolarHBondContact O-N 2.95Å
217K95Very high96.1Very high136 Ų13663 Ų6359%0.59132%0.318SS*.  trans51.553.8174.7-57.4177.1-175.4171.20112.4K199 H219K199-K217 WeakPolarHBondContact O-CA 3.37Å; K199-K217 PolarHBondContact O-N 3.15Å; K217-H219 PolarHBondContact O-N 2.91Å
218V97.1Very high96.2Very high10 Ų1062.4 Ų62.46%0.06132%0.318CS..SBendtrans-61.8-35.9175.8-176.40000110.6K199 L201 R215 E216 T237 W251K199-V218 PolarHBondContact O-N 3.28Å; K199-V218 VanDerWaalsContact O-N 3.08Å; L201-V218 HydrophobicContact CB-CG1 4.49Å; L201-V218 HydrophobicContact CB-CG2 3.31Å; L201-V218 VanDerWaalsContact N-CG2 3.29Å; R215-V218 HydrophobicContact CB-CG2 4.36Å; R215-V218 HydrophobicContact CG-CG2 4Å; R215-V218 VanDerWaalsContact O-CG2 3.32Å; R215-V218 WeakPolarHBondContact O-CG2 3.5Å; E216-V218 PolarHBondContact O-N 2.95Å; V218-T237 HydrophobicContact CG1-CG2 4.02Å; V218-W251 HydrophobicContact CB-CZ2 4.24Å; V218-W251 HydrophobicContact CG1-CH2 4.35Å; V218-W251 HydrophobicContact CG1-CZ2 3.43Å; V218-W251 VanDerWaalsContact CG1-CZ2 3.43Å
219H97.6Very high96.4Very high5 Ų554.3 Ų54.32%0.02329%0.288CS..SBendtrans-134.5143.4169-65.1-79.8000108.7K217 M225 T237 F240 Q247K217-H219 PolarHBondContact O-N 2.91Å; H219-M225 HydrophobicContact CB-CE 4.09Å; H219-T237 WeakPolarHBondContact NE2-CB 3.45Å; H219-T237 PolarHBondContact NE2-OG1 3.12Å; H219-F240 WeakPolarHBondContact CB-O 3.47Å; H219-Q247 PolarHBondContact ND1-OE1 3.48Å
220D94.8Very high96.7Very high94 Ų9452.1 Ų52.150%0.50327%0.265SS..SBendtrans-81.3-17.8-175.4-77.5-42000114.1K199 R242K199-D220 PolarHBondContact NZ-O 3.33Å; D220-R242 HydrophobicContact CB-CB 4.04Å
221G94.6Very high96.7Very high6 Ų652 Ų526%0.06226%0.264CS..SBendtrans-65166.8177.600000113.4K199 F240 S241K199-G221 WeakPolarHBondContact CE-O 3.41Å; K199-G221 PolarHBondContact NZ-O 2.94Å; G221-F240 WeakPolarHBondContact CA-O 3.42Å; G221-F240 PolarHBondContact N-O 2.9Å; G221-S241 VanDerWaalsContact CA-O 3.28Å; G221-S241 WeakPolarHBondContact CA-O 3.3Å
222T92Very high96.6Very high116 Ų11653 Ų5371%0.71227%0.267SS*.SBendtrans-103.1-4.2-179.853.40000113.3
223R95.1Very high96.5Very high88 Ų8850.5 Ų50.533%0.33226%0.261SS..SBendtrans-82.3160.2-179.2-71.6176.1-174.3-86.4-0.5111F240 N269R223-F240 HydrophobicContact CB-CB 4.31Å; R223-F240 HydrophobicContact CB-CD1 4.32Å; R223-F240 HydrophobicContact CB-CD2 3.3Å; R223-F240 HydrophobicContact CB-CE1 4.47Å; R223-F240 HydrophobicContact CB-CE2 3.52Å; R223-F240 HydrophobicContact CB-CG 3.74Å; R223-F240 HydrophobicContact CB-CZ 4.11Å; R223-F240 VanDerWaalsContact CD-CE1 3.41Å; R223-F240 HydrophobicContact CG-CD2 4.28Å; R223-F240 HydrophobicContact CG-CE2 4.4Å; R223-F240 HydrophobicContact CG-CG 4.33Å; R223-N269 PolarHBondContact NH2-OD1 2.82Å
224P96.4Very high96.6Very high24 Ų2447.9 Ų47.916%0.15625%0.25CS..  trans-57.7149.6180-23.834000113.2Y181 V271Y181-P224 HydrophobicContact CD1-CB 3.84Å; Y181-P224 HydrophobicContact CD1-CG 4.33Å; Y181-P224 HydrophobicContact CD2-CB 4.25Å; Y181-P224 HydrophobicContact CE1-CB 3.82Å; Y181-P224 HydrophobicContact CE1-CG 3.87Å; Y181-P224 HydrophobicContact CE2-CB 4.21Å; Y181-P224 HydrophobicContact CG-CB 4.06Å; P224-V271 HydrophobicContact CB-CG2 3.86Å; P224-V271 HydrophobicContact CG-CG2 4.07Å
225M96.8Very high96.6Very high3 Ų344.3 Ų44.32%0.01523%0.228CC..  trans-120161.1178.945.2173.873.500110.8Y181 V195 K199 H219 T238Y181-M225 WeakPolarHBondContact CB-O 3.28Å; Y181-M225 HydrophobicContact CD2-CG 3.83Å; Y181-M225 HydrophobicContact CE2-CG 4.48Å; V195-M225 HydrophobicContact CB-CG 3.67Å; V195-M225 HydrophobicContact CB-SD 3.58Å; V195-M225 VanDerWaalsContact CB-SD 3.58Å; V195-M225 HydrophobicContact CG1-CG 4.23Å; V195-M225 HydrophobicContact CG1-SD 3.7Å; V195-M225 HydrophobicContact CG2-CB 4.45Å; V195-M225 HydrophobicContact CG2-CG 3.92Å; V195-M225 HydrophobicContact CG2-SD 4.45Å; K199-M225 HydrophobicContact CB-CE 4.1Å; H219-M225 HydrophobicContact CB-CE 4.09Å; M225-T238 CarbonylContact C-O 3.51Å; M225-T238 WeakPolarHBondContact CA-O 3.38Å; M225-T238 WeakPolarHBondContact CB-O 3.5Å
226R98.5Very high96.6Very high26 Ų2640.5 Ų40.510%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-125.6151.4171.2-59.3-71.6174.9-109.620.8109.4D38 Y181 T237 T238 V271 L272 L273 P274D38-R226 PolarHBondContact O-NH2 2.96Å; Y181-R226 VanDerWaalsContact O-CZ 3.29Å; Y181-R226 PolarHBondContact O-NH1 2.79Å; R226-T237 CarbonylContact O-C 3.51Å; R226-T237 WeakPolarHBondContact O-CA 3.47Å; R226-T238 WeakPolarHBondContact CB-OG1 3.43Å; R226-T238 PolarHBondContact N-O 3.05Å; R226-T238 PolarHBondContact O-N 2.84Å; R226-V271 HydrophobicContact CG-CG1 4.01Å; R226-L272 WeakPolarHBondContact CG-O 3.18Å; R226-L273 HydrophobicContact CG-CD2 4.21Å; R226-P274 VanDerWaalsContact CB-CD 3.48Å; R226-P274 HydrophobicContact CB-CG 3.89Å
227A98.5Very high96.7Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-139138.5172.700000110.1S182 V195 L201 I235 L236 T237S182-A227 PolarHBondContact OG-N 2.94Å; S182-A227 PolarHBondContact OG-O 3.02Å; V195-A227 HydrophobicContact CB-CB 4.49Å; V195-A227 HydrophobicContact CG1-CB 3.62Å; V195-A227 HydrophobicContact CG2-CB 4.11Å; L201-A227 HydrophobicContact CD1-CB 3.98Å; A227-I235 HydrophobicContact CB-CG2 4.22Å; A227-L236 WeakPolarHBondContact CA-O 3.42Å; A227-T237 HydrophobicContact CB-CG2 3.93Å
228V98.6Very high96.9Very high23 Ų2327.5 Ų27.514%0.13916%0.156CC..EExtended strand (participates in β ladder)trans-133.7140.4173.1-67.70000109.7L230 I235 L236 P274V228-L230 HydrophobicContact CG2-CD2 4.46Å; V228-I235 WeakPolarHBondContact O-CA 3.4Å; V228-L236 HydrophobicContact CG2-CB 4.15Å; V228-L236 HydrophobicContact CG2-CD2 4.03Å; V228-L236 PolarHBondContact N-O 3.3Å; V228-L236 PolarHBondContact O-N 2.98Å; V228-P274 HydrophobicContact CG1-CB 4.43Å; V228-P274 HydrophobicContact CG1-CG 3.8Å; V228-P274 HydrophobicContact CG2-CB 3.97Å; V228-P274 HydrophobicContact CG2-CG 4.01Å
229F98.4Very high96.9Very high17 Ų1727.2 Ų27.28%0.07515%0.154CC..EExtended strand (participates in β ladder)trans-72.9145.8166.4-85.9-70.5000110.6S184 W185 N186 C193 I203 I235 A253S184-F229 WeakPolarHBondContact O-CD2 3.08Å; S184-F229 PolarHBondContact OG-N 2.77Å; W185-F229 VanDerWaalsContact C-CD2 3.48Å; N186-F229 VanDerWaalsContact CA-CD2 3.49Å; N186-F229 HydrophobicContact CB-CB 4.29Å; N186-F229 HydrophobicContact CB-CD1 4.06Å; N186-F229 HydrophobicContact CB-CD2 3.62Å; N186-F229 HydrophobicContact CB-CE1 4.22Å; N186-F229 HydrophobicContact CB-CE2 3.71Å; N186-F229 HydrophobicContact CB-CG 3.76Å; N186-F229 HydrophobicContact CB-CZ 4.05Å; N186-F229 VanDerWaalsContact N-CD2 3.28Å; C193-F229 HydrophobicContact CB-CD2 3.89Å; C193-F229 HydrophobicContact CB-CE1 4.48Å; C193-F229 HydrophobicContact CB-CE2 3.49Å; C193-F229 VanDerWaalsContact CB-CE2 3.49Å; C193-F229 HydrophobicContact CB-CZ 3.8Å; I203-F229 HydrophobicContact CG2-CZ 4.26Å; F229-I235 HydrophobicContact CD1-CD1 4.23Å; F229-I235 HydrophobicContact CD1-CG1 3.55Å; F229-I235 HydrophobicContact CE1-CD1 3.68Å; F229-I235 HydrophobicContact CE1-CG1 3.51Å; F229-I235 HydrophobicContact CG-CG1 4.35Å; F229-I235 HydrophobicContact CZ-CD1 4.11Å; F229-I235 HydrophobicContact CZ-CG1 4.31Å; F229-A253 HydrophobicContact CE1-CB 4.39Å
230L98.2Very high97Very high4 Ų427.1 Ų27.12%0.02115%0.154CC..  trans-98.4164.6169.9-52.4-170000110.3V228 D232 G233 K234 L236 L250 Y276 V283 V298V228-L230 HydrophobicContact CG2-CD2 4.46Å; L230-D232 WeakPolarHBondContact CB-OD1 3.49Å; L230-D232 PolarHBondContact O-N 3Å; L230-G233 PolarHBondContact O-N 2.54Å; L230-K234 HydrophobicContact CB-CB 4.4Å; L230-K234 HydrophobicContact CD1-CB 4.18Å; L230-K234 HydrophobicContact CG-CB 4.46Å; L230-K234 PolarHBondContact N-O 3.26Å; L230-L236 HydrophobicContact CD1-CB 4.38Å; L230-L236 HydrophobicContact CD2-CB 3.95Å; L230-L236 HydrophobicContact CG-CB 4.32Å; L230-L250 HydrophobicContact CD1-CD1 3.57Å; L230-Y276 VanDerWaalsContact CA-CE1 3.47Å; L230-Y276 HydrophobicContact CB-CE1 4.14Å; L230-Y276 HydrophobicContact CB-CE2 4.45Å; L230-Y276 HydrophobicContact CD2-CD1 3.98Å; L230-Y276 HydrophobicContact CD2-CD2 3.66Å; L230-Y276 HydrophobicContact CD2-CE1 4.08Å; L230-Y276 HydrophobicContact CD2-CE2 3.73Å; L230-Y276 HydrophobicContact CD2-CG 3.76Å; L230-V283 HydrophobicContact CD2-CG2 4.47Å; L230-V298 HydrophobicContact CD1-CB 4.35Å; L230-V298 HydrophobicContact CD1-CG1 3.8Å; L230-V298 HydrophobicContact CD1-CG2 4.25Å
231A94.7Very high97.1Very high28 Ų2823 Ų2323%0.23113%0.133CC..THydrogen-bonded Turntrans-64.9-23.2-174.300000113.6K187 G233 Y276 P278K187-A231 HydrophobicContact CD-CB 4.49Å; A231-G233 VanDerWaalsContact C-N 3.34Å; A231-Y276 HydrophobicContact CB-CE1 4.21Å; A231-Y276 WeakPolarHBondContact CB-OH 3.24Å; A231-Y276 VanDerWaalsContact N-CE1 3.33Å; A231-Y276 PolarHBondContact N-OH 2.9Å; A231-P278 HydrophobicContact CB-CB 3.88Å
232D94.6Very high97.2Very high79 Ų7932.8 Ų32.842%0.42217%0.167SC..THydrogen-bonded Turntrans-90.12.4177633.7000113.4L230 K234L230-D232 WeakPolarHBondContact CB-OD1 3.49Å; L230-D232 PolarHBondContact O-N 3Å; D232-K234 VanDerWaalsContact OD1-CB 3.29Å; D232-K234 WeakPolarHBondContact OD1-CB 3.41Å; D232-K234 WeakPolarHBondContact OD1-CG 3.24Å; D232-K234 PolarHBondContact OD1-N 2.79Å; D232-K234 WeakPolarHBondContact OD2-CD 3.03Å; D232-K234 IonicContact OD2-NZ 3.32Å; D232-K234 PolarHBondContact OD2-NZ 2.85Å
233G95.8Very high97.3Very high30 Ų3034.1 Ų34.131%0.30917%0.168SC..SBendtrans86.7-3.2-178.900000114.9L230 A231 A253L230-G233 PolarHBondContact O-N 2.54Å; A231-G233 VanDerWaalsContact C-N 3.34Å; G233-A253 WeakPolarHBondContact O-CB 3.38Å
234K98.1Very high97.4Very high24 Ų2432 Ų3210%0.10417%0.166CC..  trans-66.5163.3170.2-63.3-178.6-174.377.20110.4L230 D232 L250 W251 M260 D300L230-K234 HydrophobicContact CB-CB 4.4Å; L230-K234 HydrophobicContact CD1-CB 4.18Å; L230-K234 HydrophobicContact CG-CB 4.46Å; L230-K234 PolarHBondContact N-O 3.26Å; D232-K234 VanDerWaalsContact OD1-CB 3.29Å; D232-K234 WeakPolarHBondContact OD1-CB 3.41Å; D232-K234 WeakPolarHBondContact OD1-CG 3.24Å; D232-K234 PolarHBondContact OD1-N 2.79Å; D232-K234 WeakPolarHBondContact OD2-CD 3.03Å; D232-K234 IonicContact OD2-NZ 3.32Å; D232-K234 PolarHBondContact OD2-NZ 2.85Å; K234-L250 HydrophobicContact CB-CD1 4.06Å; K234-L250 HydrophobicContact CD-CD1 4.28Å; K234-L250 HydrophobicContact CD-CD2 4.18Å; K234-L250 HydrophobicContact CD-CG 4.39Å; K234-W251 WeakPolarHBondContact CA-O 3.34Å; K234-W251 WeakPolarHBondContact CB-O 3.38Å; K234-M260 HydrophobicContact CD-CE 4.23Å; K234-M260 HydrophobicContact CD-SD 3.76Å; K234-M260 HydrophobicContact CG-SD 4.35Å; K234-D300 IonicContact NZ-OD1 3.37Å; K234-D300 PolarHBondContact NZ-OD1 3.29Å
235I98.8Very high97.4Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-120.5130.9178-60.9167.9000109.1C193 L201 I203 A227 V228 F229 T237 W251 A253C193-I235 HydrophobicContact CB-CD1 3.9Å; C193-I235 HydrophobicContact CB-CG1 4.43Å; L201-I235 HydrophobicContact CD1-CD1 4.48Å; L201-I235 HydrophobicContact CD1-CG2 4.16Å; L201-I235 HydrophobicContact CD2-CD1 4.13Å; L201-I235 HydrophobicContact CD2-CG2 4.07Å; I203-I235 HydrophobicContact CD1-CD1 3.64Å; I203-I235 HydrophobicContact CG1-CD1 3.74Å; A227-I235 HydrophobicContact CB-CG2 4.22Å; V228-I235 WeakPolarHBondContact O-CA 3.4Å; F229-I235 HydrophobicContact CD1-CD1 4.23Å; F229-I235 HydrophobicContact CD1-CG1 3.55Å; F229-I235 HydrophobicContact CE1-CD1 3.68Å; F229-I235 HydrophobicContact CE1-CG1 3.51Å; F229-I235 HydrophobicContact CG-CG1 4.35Å; F229-I235 HydrophobicContact CZ-CD1 4.11Å; F229-I235 HydrophobicContact CZ-CG1 4.31Å; I235-T237 HydrophobicContact CG2-CG2 3.98Å; I235-W251 HydrophobicContact CB-CB 4.36Å; I235-W251 PolarHBondContact N-O 3Å; I235-W251 PolarHBondContact O-N 2.95Å; I235-A253 HydrophobicContact CD1-CB 4.24Å; I235-A253 HydrophobicContact CG1-CB 4.43Å
236L98.8Very high97.5Very high0 Ų033.6 Ų33.60%017%0.171CC..EExtended strand (participates in β ladder)trans-107.2127.5173.5-179.5141.2000109.3A227 V228 L230 L248 A249 L250 P274 V283 V298A227-L236 WeakPolarHBondContact CA-O 3.42Å; V228-L236 HydrophobicContact CG2-CB 4.15Å; V228-L236 HydrophobicContact CG2-CD2 4.03Å; V228-L236 PolarHBondContact N-O 3.3Å; V228-L236 PolarHBondContact O-N 2.98Å; L230-L236 HydrophobicContact CD1-CB 4.38Å; L230-L236 HydrophobicContact CD2-CB 3.95Å; L230-L236 HydrophobicContact CG-CB 4.32Å; L236-L248 HydrophobicContact CD1-CD1 3.76Å; L236-L248 HydrophobicContact CD2-CD1 3.48Å; L236-L248 VanDerWaalsContact CD2-CD1 3.48Å; L236-L248 HydrophobicContact CG-CD1 3.51Å; L236-A249 CarbonylContact C-O 3.48Å; L236-A249 WeakPolarHBondContact CA-O 3.39Å; L236-L250 HydrophobicContact CB-CD1 4.48Å; L236-P274 HydrophobicContact CD2-CB 3.79Å; L236-V283 HydrophobicContact CD1-CB 4.29Å; L236-V283 HydrophobicContact CD1-CG1 4.17Å; L236-V283 HydrophobicContact CD1-CG2 3.78Å; L236-V283 HydrophobicContact CD2-CG1 4.24Å; L236-V283 HydrophobicContact CD2-CG2 4.33Å; L236-V298 HydrophobicContact CD1-CG2 4.35Å
237T98.8Very high97.5Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-117.8141.6179.7660000111.4L201 V218 H219 R226 A227 I235 L248 A249 W251L201-T237 HydrophobicContact CD2-CG2 4.35Å; V218-T237 HydrophobicContact CG1-CG2 4.02Å; H219-T237 WeakPolarHBondContact NE2-CB 3.45Å; H219-T237 PolarHBondContact NE2-OG1 3.12Å; R226-T237 CarbonylContact O-C 3.51Å; R226-T237 WeakPolarHBondContact O-CA 3.47Å; A227-T237 HydrophobicContact CB-CG2 3.93Å; I235-T237 HydrophobicContact CG2-CG2 3.98Å; T237-L248 CarbonylContact O-C 3.51Å; T237-L248 WeakPolarHBondContact O-CA 3.23Å; T237-A249 PolarHBondContact N-O 2.77Å; T237-A249 PolarHBondContact O-N 3.23Å; T237-W251 PolarHBondContact OG1-NE1 3.02Å
238T98.7Very high97.5Very high1 Ų133.5 Ų33.51%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-112.9142165.667.20000108.9M225 R226 Q247 L248 L272 P274 L285M225-T238 CarbonylContact C-O 3.51Å; M225-T238 WeakPolarHBondContact CA-O 3.38Å; M225-T238 WeakPolarHBondContact CB-O 3.5Å; R226-T238 WeakPolarHBondContact CB-OG1 3.43Å; R226-T238 PolarHBondContact N-O 3.05Å; R226-T238 PolarHBondContact O-N 2.84Å; T238-Q247 VanDerWaalsContact CA-O 3.3Å; T238-Q247 WeakPolarHBondContact CA-O 3.2Å; T238-L248 HydrophobicContact CG2-CD1 4.08Å; T238-L272 HydrophobicContact CG2-CB 4.03Å; T238-L272 PolarHBondContact OG1-O 3.19Å; T238-P274 HydrophobicContact CG2-CB 4.3Å; T238-P274 HydrophobicContact CG2-CG 4.36Å; T238-L285 HydrophobicContact CG2-CD1 4.43Å; T238-L285 HydrophobicContact CG2-CD2 3.84Å
239G98.3Very high97.4Very high3 Ų332.5 Ų32.53%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-169.2-154.5-178.600000111.1R246 Q247G239-R246 WeakPolarHBondContact O-CA 3.33Å; G239-Q247 PolarHBondContact N-O 2.93Å; G239-Q247 PolarHBondContact O-N 3.21Å
240F98.3Very high97.5Very high3 Ų331.7 Ų31.71%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-133.1142.8-175.1-66.7-100.7000111.1H219 G221 R223 E245 R246 S268 V271H219-F240 WeakPolarHBondContact CB-O 3.47Å; G221-F240 WeakPolarHBondContact CA-O 3.42Å; G221-F240 PolarHBondContact N-O 2.9Å; R223-F240 HydrophobicContact CB-CB 4.31Å; R223-F240 HydrophobicContact CB-CD1 4.32Å; R223-F240 HydrophobicContact CB-CD2 3.3Å; R223-F240 HydrophobicContact CB-CE1 4.47Å; R223-F240 HydrophobicContact CB-CE2 3.52Å; R223-F240 HydrophobicContact CB-CG 3.74Å; R223-F240 HydrophobicContact CB-CZ 4.11Å; R223-F240 VanDerWaalsContact CD-CE1 3.41Å; R223-F240 HydrophobicContact CG-CD2 4.28Å; R223-F240 HydrophobicContact CG-CE2 4.4Å; R223-F240 HydrophobicContact CG-CG 4.33Å; F240-E245 CarbonylContact C-O 3.42Å; F240-E245 WeakPolarHBondContact CA-O 3.46Å; F240-R246 HydrophobicContact CD1-CG 3.97Å; F240-R246 HydrophobicContact CE1-CG 3.53Å; F240-R246 HydrophobicContact CZ-CG 4.09Å; F240-S268 WeakPolarHBondContact CE1-O 3.32Å; F240-V271 HydrophobicContact CE2-CG2 4.36Å
241S97.4Very high97.5Very high8 Ų831.8 Ų31.86%0.05616%0.163CC..  trans-68.3168.6168.384.50000110.3G221 M243 S244 E245 Q247G221-S241 VanDerWaalsContact CA-O 3.28Å; G221-S241 WeakPolarHBondContact CA-O 3.3Å; S241-M243 PolarHBondContact O-N 2.92Å; S241-M243 PolarHBondContact OG-N 3.43Å; S241-M243 VanDerWaalsContact OG-N 3.12Å; S241-S244 PolarHBondContact O-N 2.91Å; S241-S244 PolarHBondContact OG-N 2.83Å; S241-E245 PolarHBondContact N-O 2.8Å; S241-E245 WeakPolarHBondContact OG-CB 3.11Å; S241-E245 PolarHBondContact OG-N 2.84Å; S241-E245 VanDerWaalsContact OG-N 3.08Å; S241-E245 PolarHBondContact OG-OE2 2.99Å; S241-Q247 VanDerWaalsContact CB-NE2 3.34Å
242R95.6Very high97.6Very high211 Ų21133 Ų3380%0.79617%0.165SC*.THydrogen-bonded Turntrans-56.8-31.4170.9-174.2175178.6171.6-0.3112.3D220 S244D220-R242 HydrophobicContact CB-CB 4.04Å; R242-S244 PolarHBondContact O-N 2.84Å
243M95.6Very high97.7Very high145 Ų14530 Ų3071%0.71415%0.152SC*.THydrogen-bonded Turntrans-86.611.3178.4-59.4-55.2-66.300112.9S241 E245S241-M243 PolarHBondContact O-N 2.92Å; S241-M243 PolarHBondContact OG-N 3.43Å; S241-M243 VanDerWaalsContact OG-N 3.12Å; M243-E245 VanDerWaalsContact C-N 3.31Å; M243-E245 PolarHBondContact O-N 3.35Å
244S96.1Very high97.7Very high43 Ų4336.9 Ų36.930%0.30117%0.173SC..  trans64.326.9-177.9-57.80000114.9S241 R242S241-S244 PolarHBondContact O-N 2.91Å; S241-S244 PolarHBondContact OG-N 2.83Å; R242-S244 PolarHBondContact O-N 2.84Å
245E97.8Very high97.6Very high59 Ų5939.9 Ų39.928%0.27619%0.19SC..  trans-80.8135.5167.6-63.5143150.800109.6F240 S241 M243 Q247 D266 T267F240-E245 CarbonylContact C-O 3.42Å; F240-E245 WeakPolarHBondContact CA-O 3.46Å; S241-E245 PolarHBondContact N-O 2.8Å; S241-E245 WeakPolarHBondContact OG-CB 3.11Å; S241-E245 PolarHBondContact OG-N 2.84Å; S241-E245 VanDerWaalsContact OG-N 3.08Å; S241-E245 PolarHBondContact OG-OE2 2.99Å; M243-E245 VanDerWaalsContact C-N 3.31Å; M243-E245 PolarHBondContact O-N 3.35Å; E245-Q247 PolarHBondContact O-N 2.85Å; E245-D266 CarbonylContact C-O 3.55Å; E245-D266 WeakPolarHBondContact CA-O 3.42Å; E245-T267 HydrophobicContact CG-CG2 3.73Å
246R98.3Very high97.5Very high1 Ų140.4 Ų40.40%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-66.8130.5173-59.8-163.9-64.4-178.2-8.8109.5G239 F240 M265 D266 S268 G270 L272 D290G239-R246 WeakPolarHBondContact O-CA 3.33Å; F240-R246 HydrophobicContact CD1-CG 3.97Å; F240-R246 HydrophobicContact CE1-CG 3.53Å; F240-R246 HydrophobicContact CZ-CG 4.09Å; R246-M265 HydrophobicContact CB-CB 4.35Å; R246-M265 WeakPolarHBondContact O-CB 3.3Å; R246-M265 PolarHBondContact O-N 3.39Å; R246-D266 IonicContact CZ-OD1 3.83Å; R246-D266 VanDerWaalsContact CZ-OD1 3.26Å; R246-D266 IonicContact CZ-OD2 2.77Å; R246-D266 PolarHBondContact N-O 3.2Å; R246-D266 IonicContact NE-OD1 2.8Å; R246-D266 PolarHBondContact NE-OD1 2.86Å; R246-D266 IonicContact NE-OD2 2.63Å; R246-D266 VanDerWaalsContact NH2-CG 3.31Å; R246-D266 IonicContact NH2-OD1 2.66Å; R246-D266 PolarHBondContact NH2-OD1 2.83Å; R246-D266 IonicContact NH2-OD2 3.25Å; R246-D266 PolarHBondContact NH2-OD2 2.84Å; R246-S268 WeakPolarHBondContact CD-O 3.39Å; R246-S268 VanDerWaalsContact CG-O 3.3Å; R246-S268 WeakPolarHBondContact CG-O 3.46Å; R246-G270 WeakPolarHBondContact CD-O 3.47Å; R246-G270 PolarHBondContact NH1-O 2.94Å; R246-G270 VanDerWaalsContact NH1-O 3.1Å; R246-L272 HydrophobicContact CB-CD1 3.9Å; R246-D290 IonicContact CZ-OD1 2.79Å; R246-D290 IonicContact CZ-OD2 2.72Å; R246-D290 VanDerWaalsContact NH1-CG 3.34Å; R246-D290 IonicContact NH1-OD1 3.91Å; R246-D290 PolarHBondContact NH1-OD1 2.92Å; R246-D290 VanDerWaalsContact NH1-OD1 3.16Å; R246-D290 IonicContact NH1-OD2 3.72Å; R246-D290 PolarHBondContact NH1-OD2 3.36Å; R246-D290 IonicContact NH2-OD1 3.21Å; R246-D290 PolarHBondContact NH2-OD1 2.76Å; R246-D290 IonicContact NH2-OD2 3.47Å; R246-D290 PolarHBondContact NH2-OD2 3.1Å
247Q97.9Very high97.4Very high22 Ų2243.5 Ų43.510%0.10322%0.215CC..EExtended strand (participates in β ladder)trans-123.7145.4-177.6-73.3-179.8-28.400110.5H219 T238 G239 S241 E245 Q263 E264H219-Q247 PolarHBondContact ND1-OE1 3.48Å; T238-Q247 VanDerWaalsContact CA-O 3.3Å; T238-Q247 WeakPolarHBondContact CA-O 3.2Å; G239-Q247 PolarHBondContact N-O 2.93Å; G239-Q247 PolarHBondContact O-N 3.21Å; S241-Q247 VanDerWaalsContact CB-NE2 3.34Å; E245-Q247 PolarHBondContact O-N 2.85Å; Q247-Q263 WeakPolarHBondContact CA-O 3.4Å; Q247-E264 HydrophobicContact CG-CG 3.95Å; Q247-E264 PolarHBondContact NE2-OE1 3.38Å
248L98Very high97.3Very high2 Ų250.2 Ų50.21%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-112.5132.5165.8176.565.3000107.6L236 T237 T238 V262 Q263 M265 L285 F296 V305L236-L248 HydrophobicContact CD1-CD1 3.76Å; L236-L248 HydrophobicContact CD2-CD1 3.48Å; L236-L248 VanDerWaalsContact CD2-CD1 3.48Å; L236-L248 HydrophobicContact CG-CD1 3.51Å; T237-L248 CarbonylContact O-C 3.51Å; T237-L248 WeakPolarHBondContact O-CA 3.23Å; T238-L248 HydrophobicContact CG2-CD1 4.08Å; L248-V262 CarbonylContact O-C 3.58Å; L248-V262 WeakPolarHBondContact O-CA 3.32Å; L248-Q263 PolarHBondContact N-O 2.93Å; L248-Q263 PolarHBondContact O-N 2.82Å; L248-M265 HydrophobicContact CB-SD 4.32Å; L248-L285 HydrophobicContact CB-CD1 4.46Å; L248-L285 HydrophobicContact CD1-CD1 4.05Å; L248-L285 HydrophobicContact CD2-CD1 4.06Å; L248-L285 HydrophobicContact CG-CD1 4.44Å; L248-F296 HydrophobicContact CD2-CD1 4.34Å; L248-F296 HydrophobicContact CD2-CD2 4.47Å; L248-F296 HydrophobicContact CD2-CE1 4.31Å; L248-F296 HydrophobicContact CD2-CE2 4.47Å; L248-F296 HydrophobicContact CD2-CG 4.43Å; L248-F296 HydrophobicContact CD2-CZ 4.39Å; L248-V305 HydrophobicContact CD2-CG1 3.69Å
249A98.4Very high97.2Very high2 Ų252.3 Ų52.32%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-132.3145.7173.600000111.4L236 T237 W251 P259 A261 V262L236-A249 CarbonylContact C-O 3.48Å; L236-A249 WeakPolarHBondContact CA-O 3.39Å; T237-A249 PolarHBondContact N-O 2.77Å; T237-A249 PolarHBondContact O-N 3.23Å; A249-W251 HydrophobicContact CB-CZ2 4.31Å; A249-P259 HydrophobicContact CB-CB 4.44Å; A249-A261 CarbonylContact C-O 3.56Å; A249-A261 WeakPolarHBondContact CA-O 3.38Å; A249-V262 HydrophobicContact CB-CG2 4.09Å
250L98.6Very high97.2Very high1 Ų154.9 Ų54.91%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-112.5134.3174.7-176.768.6000109L230 K234 L236 P259 M260 A261 V298 Y304 V305L230-L250 HydrophobicContact CD1-CD1 3.57Å; K234-L250 HydrophobicContact CB-CD1 4.06Å; K234-L250 HydrophobicContact CD-CD1 4.28Å; K234-L250 HydrophobicContact CD-CD2 4.18Å; K234-L250 HydrophobicContact CD-CG 4.39Å; L236-L250 HydrophobicContact CB-CD1 4.48Å; L250-P259 CarbonylContact O-C 3.5Å; L250-P259 WeakPolarHBondContact O-CA 3.37Å; L250-M260 HydrophobicContact CB-CB 4.45Å; L250-M260 HydrophobicContact CD2-CB 4.37Å; L250-M260 HydrophobicContact CD2-SD 4.26Å; L250-M260 HydrophobicContact CG-CB 4.37Å; L250-M260 HydrophobicContact CG-SD 4.27Å; L250-M260 WeakPolarHBondContact O-CB 3.45Å; L250-M260 PolarHBondContact O-N 3.34Å; L250-A261 HydrophobicContact CB-CB 4.29Å; L250-A261 PolarHBondContact N-O 3.24Å; L250-A261 PolarHBondContact O-N 3.13Å; L250-V298 HydrophobicContact CD1-CG1 4.42Å; L250-V298 HydrophobicContact CD2-CG1 4.21Å; L250-Y304 HydrophobicContact CD2-CG 4.36Å; L250-V305 HydrophobicContact CB-CG2 3.97Å; L250-V305 HydrophobicContact CD2-CG2 3.97Å; L250-V305 HydrophobicContact CG-CG2 4.45Å
251W98.5Very high97.1Very high5 Ų555.7 Ų55.72%0.01928%0.279CS..EExtended strand (participates in β ladder)trans-127.9141.3-175.4-57.486.5000110.6R215 V218 K234 I235 T237 A249 L256 P259R215-W251 HydrophobicContact CG-CH2 4.28Å; R215-W251 HydrophobicContact CG-CZ3 4.05Å; V218-W251 HydrophobicContact CB-CZ2 4.24Å; V218-W251 HydrophobicContact CG1-CH2 4.35Å; V218-W251 HydrophobicContact CG1-CZ2 3.43Å; V218-W251 VanDerWaalsContact CG1-CZ2 3.43Å; K234-W251 WeakPolarHBondContact CA-O 3.34Å; K234-W251 WeakPolarHBondContact CB-O 3.38Å; I235-W251 HydrophobicContact CB-CB 4.36Å; I235-W251 PolarHBondContact N-O 3Å; I235-W251 PolarHBondContact O-N 2.95Å; T237-W251 PolarHBondContact OG1-NE1 3.02Å; A249-W251 HydrophobicContact CB-CZ2 4.31Å; W251-L256 HydrophobicContact CB-CD2 4Å; W251-P259 HydrophobicContact CD2-CB 4.1Å; W251-P259 HydrophobicContact CE3-CB 4.06Å; W251-P259 HydrophobicContact CH2-CB 3.85Å; W251-P259 HydrophobicContact CH2-CG 4.01Å; W251-P259 HydrophobicContact CZ2-CB 3.86Å; W251-P259 HydrophobicContact CZ2-CG 4.34Å; W251-P259 HydrophobicContact CZ3-CB 3.95Å; W251-P259 HydrophobicContact CZ3-CG 4.29Å
252D97.4Very high97.1Very high53 Ų5358.9 Ų58.928%0.28330%0.298SS..BIsolated β-bridgetrans-81.6119.4166.2-174.6-5.1000108.9K254 D255 L256 M260D252-K254 PolarHBondContact O-N 3.35Å; D252-K254 VanDerWaalsContact O-N 3.12Å; D252-K254 WeakPolarHBondContact OD1-CB 3.4Å; D252-K254 PolarHBondContact OD1-N 3.38Å; D252-D255 CarbonylContact O-C 3.54Å; D252-D255 PolarHBondContact O-N 2.68Å; D252-L256 WeakPolarHBondContact O-CD2 3.26Å; D252-M260 HydrophobicContact CB-CG 4.3Å; D252-M260 HydrophobicContact CB-SD 3.93Å
253A96.4Very high97.1Very high18 Ų1852 Ų5215%0.14928%0.275CS..THydrogen-bonded Turntrans-61.9-20.5175.900000112.9I203 K213 F229 G233 I235I203-A253 HydrophobicContact CD1-CB 3.72Å; K213-A253 WeakPolarHBondContact CD-O 3.33Å; K213-A253 PolarHBondContact NZ-O 2.81Å; F229-A253 HydrophobicContact CE1-CB 4.39Å; G233-A253 WeakPolarHBondContact O-CB 3.38Å; I235-A253 HydrophobicContact CD1-CB 4.24Å; I235-A253 HydrophobicContact CG1-CB 4.43Å
254K96.1Very high97.1Very high173 Ų17350.5 Ų50.575%0.75227%0.266SS*.THydrogen-bonded Turntrans-76.1-33.1174.8-64.3179.1-177.11730112.2K213 D252K213-K254 PolarHBondContact NZ-O 2.73Å; D252-K254 PolarHBondContact O-N 3.35Å; D252-K254 VanDerWaalsContact O-N 3.12Å; D252-K254 WeakPolarHBondContact OD1-CB 3.4Å; D252-K254 PolarHBondContact OD1-N 3.38Å
255D96.2Very high97.1Very high87 Ų8750.4 Ų50.447%0.46526%0.261SS..BIsolated β-bridgetrans-139.8105.6176.5-174.55.1000111.2D252 S257D252-D255 CarbonylContact O-C 3.54Å; D252-D255 PolarHBondContact O-N 2.68Å; D255-S257 VanDerWaalsContact C-N 3.32Å; D255-S257 VanDerWaalsContact CG-OG 3.23Å; D255-S257 WeakPolarHBondContact OD1-CB 3.49Å; D255-S257 PolarHBondContact OD1-N 2.75Å; D255-S257 PolarHBondContact OD1-OG 2.81Å; D255-S257 PolarHBondContact OD2-OG 2.82Å; D255-S257 VanDerWaalsContact OD2-OG 3.1Å
256L97.4Very high97Very high12 Ų1249.2 Ų49.26%0.06326%0.257CS..  trans-92.712.6178.7-58.2175.6000112.8L201 I203 K213 R215 W251 D252 E258L201-L256 HydrophobicContact CD2-CD2 4.12Å; I203-L256 HydrophobicContact CD1-CD1 4.05Å; I203-L256 HydrophobicContact CG1-CD1 4.34Å; K213-L256 HydrophobicContact CB-CD1 3.83Å; K213-L256 HydrophobicContact CD-CD1 4.42Å; R215-L256 HydrophobicContact CB-CB 3.83Å; R215-L256 HydrophobicContact CB-CD1 4.12Å; R215-L256 VanDerWaalsContact CD-O 3.25Å; R215-L256 WeakPolarHBondContact CD-O 3.46Å; R215-L256 HydrophobicContact CG-CB 4.44Å; W251-L256 HydrophobicContact CB-CD2 4Å; D252-L256 WeakPolarHBondContact O-CD2 3.26Å; L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 3.15Å
257S95.9Very high96.9Very high64 Ų6454.1 Ų54.145%0.44829%0.287SS..SBendtrans-63.3-38.4-177.663.80000112.5R215 D255R215-S257 VanDerWaalsContact CZ-O 3.26Å; R215-S257 PolarHBondContact NH1-O 2.76Å; R215-S257 PolarHBondContact NH2-O 2.94Å; D255-S257 VanDerWaalsContact C-N 3.32Å; D255-S257 VanDerWaalsContact CG-OG 3.23Å; D255-S257 WeakPolarHBondContact OD1-CB 3.49Å; D255-S257 PolarHBondContact OD1-N 2.75Å; D255-S257 PolarHBondContact OD1-OG 2.81Å; D255-S257 PolarHBondContact OD2-OG 2.82Å; D255-S257 VanDerWaalsContact OD2-OG 3.1Å
258E96Very high96.7Very high142 Ų14255.3 Ų55.366%0.66430%0.298SS*.SBendtrans-142.4150.7176.863.9-178-177.600112.1L256L256-E258 VanDerWaalsContact C-N 3.33Å; L256-E258 PolarHBondContact O-N 3.15Å
259P97.3Very high96.5Very high44 Ų4460.2 Ų60.229%0.28632%0.324SS..  trans-71.5137.9173.628.9-32.3000110.3A249 L250 W251 A261 V262A249-P259 HydrophobicContact CB-CB 4.44Å; L250-P259 CarbonylContact O-C 3.5Å; L250-P259 WeakPolarHBondContact O-CA 3.37Å; W251-P259 HydrophobicContact CD2-CB 4.1Å; W251-P259 HydrophobicContact CE3-CB 4.06Å; W251-P259 HydrophobicContact CH2-CB 3.85Å; W251-P259 HydrophobicContact CH2-CG 4.01Å; W251-P259 HydrophobicContact CZ2-CB 3.86Å; W251-P259 HydrophobicContact CZ2-CG 4.34Å; W251-P259 HydrophobicContact CZ3-CB 3.95Å; W251-P259 HydrophobicContact CZ3-CG 4.29Å; P259-A261 VanDerWaalsContact C-N 3.27Å; P259-A261 PolarHBondContact O-N 3.01Å; P259-V262 HydrophobicContact CB-CG2 3.63Å; P259-V262 HydrophobicContact CG-CG2 3.38Å
260M97.1Very high96.3Very high58 Ų5860.8 Ų60.829%0.28633%0.33SS..SBendtrans-64.4-35172.9-60-17967.100112K234 L250 D252 Y304K234-M260 HydrophobicContact CD-CE 4.23Å; K234-M260 HydrophobicContact CD-SD 3.76Å; K234-M260 HydrophobicContact CG-SD 4.35Å; L250-M260 HydrophobicContact CB-CB 4.45Å; L250-M260 HydrophobicContact CD2-CB 4.37Å; L250-M260 HydrophobicContact CD2-SD 4.26Å; L250-M260 HydrophobicContact CG-CB 4.37Å; L250-M260 HydrophobicContact CG-SD 4.27Å; L250-M260 WeakPolarHBondContact O-CB 3.45Å; L250-M260 PolarHBondContact O-N 3.34Å; D252-M260 HydrophobicContact CB-CG 4.3Å; D252-M260 HydrophobicContact CB-SD 3.93Å; M260-Y304 HydrophobicContact CB-CD2 4.25Å; M260-Y304 HydrophobicContact CB-CE2 4.4Å; M260-Y304 HydrophobicContact CE-CD1 4.11Å; M260-Y304 HydrophobicContact CE-CD2 4.47Å; M260-Y304 HydrophobicContact CE-CE1 4.05Å; M260-Y304 HydrophobicContact CE-CE2 4.4Å; M260-Y304 HydrophobicContact CE-CG 4.33Å
261A96.9Very high96.2Very high19 Ų1961.2 Ų61.216%0.15733%0.333CS..EExtended strand (participates in β ladder)trans-151.2144.4175.900000109.8A249 L250 P259 P303 Y304A249-A261 CarbonylContact C-O 3.56Å; A249-A261 WeakPolarHBondContact CA-O 3.38Å; L250-A261 HydrophobicContact CB-CB 4.29Å; L250-A261 PolarHBondContact N-O 3.24Å; L250-A261 PolarHBondContact O-N 3.13Å; P259-A261 VanDerWaalsContact C-N 3.27Å; P259-A261 PolarHBondContact O-N 3.01Å; A261-P303 WeakPolarHBondContact CB-O 3.11Å; A261-Y304 HydrophobicContact CB-CD2 4.4Å
262V97.2Very high96.2Very high75 Ų7561.2 Ų61.246%0.45533%0.333SS..EExtended strand (participates in β ladder)trans-130.9129.2167.8-176.20000107.7L248 A249 P259L248-V262 CarbonylContact O-C 3.58Å; L248-V262 WeakPolarHBondContact O-CA 3.32Å; A249-V262 HydrophobicContact CB-CG2 4.09Å; P259-V262 HydrophobicContact CB-CG2 3.63Å; P259-V262 HydrophobicContact CG-CG2 3.38Å
263Q96.4Very high96.2Very high67 Ų6759.5 Ų59.531%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-125.5121.4176.9-175.5170.22.600109.7Q247 L248Q247-Q263 WeakPolarHBondContact CA-O 3.4Å; L248-Q263 PolarHBondContact N-O 2.93Å; L248-Q263 PolarHBondContact O-N 2.82Å
264E96.3Very high96.3Very high114 Ų11459.4 Ų59.453%0.53332%0.322SS..EExtended strand (participates in β ladder)trans-80.3144.9170.3-70.3171176.600110.1Q247Q247-E264 HydrophobicContact CG-CG 3.95Å; Q247-E264 PolarHBondContact NE2-OE1 3.38Å
265M95.1Very high96.4Very high41 Ų4152.6 Ų52.620%0.20229%0.292CS..  trans-117.2-75.5-172.5-60.4179.566.700112.2R246 L248 L272 L285 R294 F296R246-M265 HydrophobicContact CB-CB 4.35Å; R246-M265 WeakPolarHBondContact O-CB 3.3Å; R246-M265 PolarHBondContact O-N 3.39Å; L248-M265 HydrophobicContact CB-SD 4.32Å; M265-L272 HydrophobicContact CE-CD1 3.76Å; M265-L272 HydrophobicContact SD-CD1 3.33Å; M265-L272 WeakPolarHBondContact SD-CD1 3.49Å; M265-L285 HydrophobicContact CE-CB 4.44Å; M265-L285 HydrophobicContact CE-CD1 3.75Å; M265-L285 HydrophobicContact SD-CD1 3.72Å; M265-R294 HydrophobicContact CE-CB 4.48Å; M265-F296 HydrophobicContact CE-CE2 4.39Å; M265-F296 HydrophobicContact CE-CZ 4.18Å
266D95.3Very high96.5Very high34 Ų3450.2 Ų50.218%0.18228%0.277CS..  trans-156.5177.7-179.263.645000110.3E245 R246 S268 R294E245-D266 CarbonylContact C-O 3.55Å; E245-D266 WeakPolarHBondContact CA-O 3.42Å; R246-D266 IonicContact CZ-OD1 3.83Å; R246-D266 VanDerWaalsContact CZ-OD1 3.26Å; R246-D266 IonicContact CZ-OD2 2.77Å; R246-D266 PolarHBondContact N-O 3.2Å; R246-D266 IonicContact NE-OD1 2.8Å; R246-D266 PolarHBondContact NE-OD1 2.86Å; R246-D266 IonicContact NE-OD2 2.63Å; R246-D266 VanDerWaalsContact NH2-CG 3.31Å; R246-D266 IonicContact NH2-OD1 2.66Å; R246-D266 PolarHBondContact NH2-OD1 2.83Å; R246-D266 IonicContact NH2-OD2 3.25Å; R246-D266 PolarHBondContact NH2-OD2 2.84Å; D266-S268 WeakPolarHBondContact OD1-CB 3.41Å; D266-S268 PolarHBondContact OD1-N 3.02Å; D266-S268 PolarHBondContact OD1-OG 3.49Å; D266-R294 IonicContact OD2-CZ 2.73Å; D266-R294 IonicContact OD2-NH1 3.17Å; D266-R294 PolarHBondContact OD2-NH1 2.91Å; D266-R294 IonicContact OD2-NH2 4Å; D266-R294 PolarHBondContact OD2-NH2 3.23Å
267T95.5Very high96.5Very high103 Ų10349.9 Ų49.963%0.63228%0.275SS*.  trans-98.822.7-177.951.60000113.3E245E245-T267 HydrophobicContact CG-CG2 3.73Å
268S95.3Very high96.6Very high48 Ų4849.9 Ų49.934%0.33627%0.273SS..  trans-74.3152.7-179.5-61.70000111.8F240 R246 D266F240-S268 WeakPolarHBondContact CE1-O 3.32Å; R246-S268 WeakPolarHBondContact CD-O 3.39Å; R246-S268 VanDerWaalsContact CG-O 3.3Å; R246-S268 WeakPolarHBondContact CG-O 3.46Å; D266-S268 WeakPolarHBondContact OD1-CB 3.41Å; D266-S268 PolarHBondContact OD1-N 3.02Å; D266-S268 PolarHBondContact OD1-OG 3.49Å
269N92.6Very high96.6Very high105 Ų10544.6 Ų44.656%0.56125%0.25SC*.  trans-83.6-19.1-173.7-69-39000114.9R223R223-N269 PolarHBondContact NH2-OD1 2.82Å
270G94.3Very high96.6Very high14 Ų1442.8 Ų42.814%0.14424%0.238CC..SBendtrans-72.2129.9-173.700000112.2R246 L272R246-G270 WeakPolarHBondContact CD-O 3.47Å; R246-G270 PolarHBondContact NH1-O 2.94Å; R246-G270 VanDerWaalsContact NH1-O 3.1Å; G270-L272 PolarHBondContact O-N 3Å
271V97.4Very high96.6Very high10 Ų1043.1 Ų43.16%0.06124%0.241CC..PPolyproline II helixtrans-60.3127.1173.2-1790000108.8D38 P224 R226 F240 G287D38-V271 HydrophobicContact CB-CG2 4.48Å; P224-V271 HydrophobicContact CB-CG2 3.86Å; P224-V271 HydrophobicContact CG-CG2 4.07Å; R226-V271 HydrophobicContact CG-CG1 4.01Å; F240-V271 HydrophobicContact CE2-CG2 4.36Å; V271-G287 WeakPolarHBondContact O-CA 3.36Å
272L98Very high96.6Very high4 Ų442.2 Ų42.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-80121.8176.9-73.5169.7000109.9R226 T238 R246 M265 G270 P274 L285R226-L272 WeakPolarHBondContact CG-O 3.18Å; T238-L272 HydrophobicContact CG2-CB 4.03Å; T238-L272 PolarHBondContact OG1-O 3.19Å; R246-L272 HydrophobicContact CB-CD1 3.9Å; M265-L272 HydrophobicContact CE-CD1 3.76Å; M265-L272 HydrophobicContact SD-CD1 3.33Å; M265-L272 WeakPolarHBondContact SD-CD1 3.49Å; G270-L272 PolarHBondContact O-N 3Å; L272-P274 WeakPolarHBondContact O-CD 3.29Å; L272-L285 HydrophobicContact CD1-CD1 4.41Å; L272-L285 HydrophobicContact CD2-CB 4.22Å
273L97.9Very high96.7Very high17 Ų1738.6 Ų38.69%0.08921%0.212CC..EExtended strand (participates in β ladder)trans-87.5118.2172-56.7179.5000108.9P40 R226 F275 C286P40-L273 HydrophobicContact CB-CD1 4.43Å; R226-L273 HydrophobicContact CG-CD2 4.21Å; L273-F275 HydrophobicContact CB-CD2 4.47Å; L273-F275 HydrophobicContact CB-CE2 3.75Å; L273-F275 HydrophobicContact CB-CZ 4.24Å; L273-F275 HydrophobicContact CD1-CZ 4.45Å; L273-C286 WeakPolarHBondContact CB-O 3.3Å; L273-C286 PolarHBondContact N-O 2.82Å; L273-C286 PolarHBondContact O-N 2.85Å
274P98.2Very high96.8Very high16 Ų1635.4 Ų35.410%0.10420%0.197CC..EExtended strand (participates in β ladder)trans-82.3122.6172.232-32.5000111R226 V228 L236 T238 L272 L285R226-P274 VanDerWaalsContact CB-CD 3.48Å; R226-P274 HydrophobicContact CB-CG 3.89Å; V228-P274 HydrophobicContact CG1-CB 4.43Å; V228-P274 HydrophobicContact CG1-CG 3.8Å; V228-P274 HydrophobicContact CG2-CB 3.97Å; V228-P274 HydrophobicContact CG2-CG 4.01Å; L236-P274 HydrophobicContact CD2-CB 3.79Å; T238-P274 HydrophobicContact CG2-CB 4.3Å; T238-P274 HydrophobicContact CG2-CG 4.36Å; L272-P274 WeakPolarHBondContact O-CD 3.29Å; P274-L285 HydrophobicContact CB-CD2 3.78Å
275F98.3Very high96.9Very high30 Ų3030.1 Ų30.113%0.13217%0.172CC..EExtended strand (participates in β ladder)trans-107.5115.3167.4-60.9-91000108P40 L273 V283 Y284 C286 A320 F322 F338P40-F275 HydrophobicContact CB-CZ 4.35Å; L273-F275 HydrophobicContact CB-CD2 4.47Å; L273-F275 HydrophobicContact CB-CE2 3.75Å; L273-F275 HydrophobicContact CB-CZ 4.24Å; L273-F275 HydrophobicContact CD1-CZ 4.45Å; F275-V283 WeakPolarHBondContact O-CA 3.4Å; F275-Y284 PolarHBondContact N-O 2.85Å; F275-Y284 WeakPolarHBondContact O-CD2 3.35Å; F275-Y284 PolarHBondContact O-N 2.88Å; F275-C286 VanDerWaalsContact CE2-SG 3.55Å; F275-A320 HydrophobicContact CZ-CB 4.35Å; F275-F322 HydrophobicContact CB-CD2 4.12Å; F275-F322 HydrophobicContact CB-CE2 4.4Å; F275-F322 HydrophobicContact CB-CG 4.19Å; F275-F322 HydrophobicContact CD1-CB 3.41Å; F275-F322 VanDerWaalsContact CD1-CB 3.41Å; F275-F322 HydrophobicContact CD1-CD2 4.44Å; F275-F322 AromaticContact CD1-CG 3.93Å; F275-F322 HydrophobicContact CD1-CG 3.93Å; F275-F322 HydrophobicContact CE1-CB 3.81Å; F275-F322 HydrophobicContact CG-CB 4.18Å; F275-F322 HydrophobicContact CG-CD2 4.43Å; F275-F322 HydrophobicContact CG-CG 4.33Å; F275-F338 HydrophobicContact CB-CE1 4.43Å; F275-F338 HydrophobicContact CB-CZ 4.3Å; F275-F338 AromaticContact CD2-CE1 3.84Å; F275-F338 HydrophobicContact CD2-CE1 3.84Å; F275-F338 HydrophobicContact CD2-CZ 4.4Å; F275-F338 HydrophobicContact CE2-CE1 4.24Å; F275-F338 HydrophobicContact CG-CE1 4.06Å; F275-F338 HydrophobicContact CG-CZ 4.42Å
276Y98.2Very high96.9Very high37 Ų3728.1 Ų28.115%0.14516%0.162CC..EExtended strand (participates in β ladder)trans-106130.1-177.7174.1-119.8000110.8L230 A231 P278 N281 M282 V283L230-Y276 VanDerWaalsContact CA-CE1 3.47Å; L230-Y276 HydrophobicContact CB-CE1 4.14Å; L230-Y276 HydrophobicContact CB-CE2 4.45Å; L230-Y276 HydrophobicContact CD2-CD1 3.98Å; L230-Y276 HydrophobicContact CD2-CD2 3.66Å; L230-Y276 HydrophobicContact CD2-CE1 4.08Å; L230-Y276 HydrophobicContact CD2-CE2 3.73Å; L230-Y276 HydrophobicContact CD2-CG 3.76Å; A231-Y276 HydrophobicContact CB-CE1 4.21Å; A231-Y276 WeakPolarHBondContact CB-OH 3.24Å; A231-Y276 VanDerWaalsContact N-CE1 3.33Å; A231-Y276 PolarHBondContact N-OH 2.9Å; Y276-P278 HydrophobicContact CD1-CB 4.46Å; Y276-P278 HydrophobicContact CE1-CB 3.76Å; Y276-N281 PolarHBondContact OH-OD1 3.42Å; Y276-M282 WeakPolarHBondContact CD2-O 3.37Å; Y276-V283 HydrophobicContact CD2-CG2 3.67Å; Y276-V283 HydrophobicContact CG-CG2 4.27Å
277D98.1Very high96.9Very high6 Ų626.5 Ų26.53%0.03215%0.154CC..EExtended strand (participates in β ladder)trans-101.7107169.5177.811.8000109.5D279 T280 N281 M282 Y284 F322 K325D277-D279 PolarHBondContact O-N 2.77Å; D277-D279 WeakPolarHBondContact OD1-CB 3.35Å; D277-D279 PolarHBondContact OD1-N 2.93Å; D277-D279 VanDerWaalsContact OD1-N 3.08Å; D277-T280 WeakPolarHBondContact CB-OG1 3.47Å; D277-T280 PolarHBondContact O-N 2.9Å; D277-T280 WeakPolarHBondContact OD2-CB 3.27Å; D277-T280 VanDerWaalsContact OD2-CG2 3.28Å; D277-T280 WeakPolarHBondContact OD2-CG2 3.29Å; D277-T280 PolarHBondContact OD2-OG1 2.82Å; D277-N281 WeakPolarHBondContact O-CA 3.27Å; D277-N281 PolarHBondContact O-N 3.25Å; D277-M282 PolarHBondContact N-O 3.16Å; D277-M282 PolarHBondContact O-N 3.45Å; D277-Y284 HydrophobicContact CB-CE2 4.44Å; D277-F322 HydrophobicContact CB-CZ 4.46Å; D277-K325 IonicContact OD1-NZ 3.47Å; D277-K325 IonicContact OD2-NZ 3.43Å; D277-K325 PolarHBondContact OD2-NZ 3.36Å
278P96.8Very high96.9Very high63 Ų6324.1 Ų24.141%0.40913%0.134SC..THydrogen-bonded Turntrans-67-21-178.728.8-35.6000113.7A231 Y276A231-P278 HydrophobicContact CB-CB 3.88Å; Y276-P278 HydrophobicContact CD1-CB 4.46Å; Y276-P278 HydrophobicContact CE1-CB 3.76Å
279D96.9Very high96.9Very high32 Ų3224.1 Ų24.117%0.17114%0.142CC..THydrogen-bonded Turntrans-80.2-29.1-175.9-60.5-21.1000111.7D277 K325 P366 T368D277-D279 PolarHBondContact O-N 2.77Å; D277-D279 WeakPolarHBondContact OD1-CB 3.35Å; D277-D279 PolarHBondContact OD1-N 2.93Å; D277-D279 VanDerWaalsContact OD1-N 3.08Å; D279-K325 HydrophobicContact CB-CD 4.28Å; D279-K325 VanDerWaalsContact OD2-CD 3.27Å; D279-K325 WeakPolarHBondContact OD2-CD 3.29Å; D279-K325 WeakPolarHBondContact OD2-CG 3.46Å; D279-P366 HydrophobicContact CB-CG 3.9Å; D279-P366 WeakPolarHBondContact O-CG 3.19Å; D279-T368 PolarHBondContact OD1-OG1 2.84Å; D279-T368 WeakPolarHBondContact OD2-CB 3.16Å; D279-T368 PolarHBondContact OD2-OG1 2.87Å
280T96.9Very high97Very high6 Ų619.8 Ų19.84%0.03712%0.119CC..THydrogen-bonded Turntrans-111.1-5.8-178.5610000113.3F13 D277 M282F13-T280 HydrophobicContact CE1-CG2 3.88Å; F13-T280 WeakPolarHBondContact CE2-O 3.49Å; F13-T280 HydrophobicContact CZ-CG2 3.72Å; D277-T280 WeakPolarHBondContact CB-OG1 3.47Å; D277-T280 PolarHBondContact O-N 2.9Å; D277-T280 WeakPolarHBondContact OD2-CB 3.27Å; D277-T280 VanDerWaalsContact OD2-CG2 3.28Å; D277-T280 WeakPolarHBondContact OD2-CG2 3.29Å; D277-T280 PolarHBondContact OD2-OG1 2.82Å; T280-M282 PolarHBondContact O-N 3.42Å; T280-M282 WeakPolarHBondContact OG1-CB 3.45Å; T280-M282 WeakPolarHBondContact OG1-CG 3.39Å
281N97.2Very high97.2Very high64 Ų6421 Ų2134%0.34213%0.125SC..THydrogen-bonded Turntrans52.733.1-168.8-67.4-41.8000113.1Y276 D277 V298Y276-N281 PolarHBondContact OH-OD1 3.42Å; D277-N281 WeakPolarHBondContact O-CA 3.27Å; D277-N281 PolarHBondContact O-N 3.25Å; N281-V298 WeakPolarHBondContact CB-O 3.48Å; N281-V298 PolarHBondContact O-N 2.96Å
282M97.4Very high97.2Very high0 Ų021.8 Ų21.80%013%0.129CC..EExtended strand (participates in β ladder)trans-95.3136.5177.5-68.1-167.560.800111F13 V16 Y276 D277 T280 Y284 Y295 F296 L308 I335F13-M282 HydrophobicContact CB-SD 4.04Å; F13-M282 HydrophobicContact CD1-SD 3.85Å; F13-M282 HydrophobicContact CD2-CG 4.48Å; F13-M282 HydrophobicContact CD2-SD 4.36Å; F13-M282 HydrophobicContact CE1-SD 4.36Å; F13-M282 HydrophobicContact CG-SD 3.83Å; V16-M282 HydrophobicContact CG2-SD 4.46Å; Y276-M282 WeakPolarHBondContact CD2-O 3.37Å; D277-M282 PolarHBondContact N-O 3.16Å; D277-M282 PolarHBondContact O-N 3.45Å; T280-M282 PolarHBondContact O-N 3.42Å; T280-M282 WeakPolarHBondContact OG1-CB 3.45Å; T280-M282 WeakPolarHBondContact OG1-CG 3.39Å; M282-Y284 HydrophobicContact CB-CE2 3.88Å; M282-Y284 HydrophobicContact CE-CE1 4.05Å; M282-Y295 HydrophobicContact CE-CD2 4.04Å; M282-Y295 HydrophobicContact CE-CG 4.48Å; M282-F296 CarbonylContact C-O 3.57Å; M282-F296 VanDerWaalsContact CA-O 3.3Å; M282-F296 WeakPolarHBondContact CA-O 3.28Å; M282-L308 HydrophobicContact CE-CD1 3.47Å; M282-L308 VanDerWaalsContact CE-CD1 3.47Å; M282-L308 HydrophobicContact SD-CD1 4.32Å; M282-I335 HydrophobicContact CE-CD1 4.35Å; M282-I335 HydrophobicContact SD-CD1 3.46Å; M282-I335 WeakPolarHBondContact SD-CD1 3.27Å
283V98.3Very high97.2Very high0 Ų021.6 Ų21.60%013%0.129CC..EExtended strand (participates in β ladder)trans-111.9132.6168.6151.30000109.3L230 L236 F275 Y276 L285 Y295 F296L230-V283 HydrophobicContact CD2-CG2 4.47Å; L236-V283 HydrophobicContact CD1-CB 4.29Å; L236-V283 HydrophobicContact CD1-CG1 4.17Å; L236-V283 HydrophobicContact CD1-CG2 3.78Å; L236-V283 HydrophobicContact CD2-CG1 4.24Å; L236-V283 HydrophobicContact CD2-CG2 4.33Å; F275-V283 WeakPolarHBondContact O-CA 3.4Å; Y276-V283 HydrophobicContact CD2-CG2 3.67Å; Y276-V283 HydrophobicContact CG-CG2 4.27Å; V283-L285 HydrophobicContact CG1-CD2 3.52Å; V283-L285 HydrophobicContact CG1-CG 3.89Å; V283-Y295 CarbonylContact O-C 3.55Å; V283-Y295 WeakPolarHBondContact O-CA 3.32Å; V283-F296 PolarHBondContact N-O 2.88Å; V283-F296 PolarHBondContact O-N 3.2Å
284Y98.6Very high97.2Very high0 Ų022.9 Ų22.90%013%0.132CC..EExtended strand (participates in β ladder)trans-113.7131.3173.6-53.3-96.7000108.9F275 D277 M282 R294 Y295 F322 A336 F338 M351F275-Y284 PolarHBondContact N-O 2.85Å; F275-Y284 WeakPolarHBondContact O-CD2 3.35Å; F275-Y284 PolarHBondContact O-N 2.88Å; D277-Y284 HydrophobicContact CB-CE2 4.44Å; M282-Y284 HydrophobicContact CB-CE2 3.88Å; M282-Y284 HydrophobicContact CE-CE1 4.05Å; Y284-R294 CarbonylContact C-O 3.52Å; Y284-R294 WeakPolarHBondContact CA-O 3.12Å; Y284-Y295 VanDerWaalsContact CD1-CB 3.47Å; Y284-Y295 HydrophobicContact CD1-CD1 4.2Å; Y284-Y295 HydrophobicContact CD1-CG 4.08Å; Y284-Y295 HydrophobicContact CE1-CD1 4.47Å; Y284-Y295 HydrophobicContact CE1-CG 4.15Å; Y284-F322 AromaticContact CD2-CE2 3.91Å; Y284-F322 HydrophobicContact CD2-CE2 3.91Å; Y284-F322 HydrophobicContact CD2-CZ 4.24Å; Y284-F322 HydrophobicContact CE2-CE2 4.02Å; Y284-F322 HydrophobicContact CE2-CZ 4.11Å; Y284-A336 HydrophobicContact CE1-CB 4.43Å; Y284-A336 HydrophobicContact CE2-CB 4.1Å; Y284-A336 WeakPolarHBondContact OH-CB 3.43Å; Y284-F338 AromaticContact CD1-CE2 3.61Å; Y284-F338 HydrophobicContact CD1-CE2 3.61Å; Y284-F338 AromaticContact CD1-CZ 3.98Å; Y284-F338 HydrophobicContact CD1-CZ 3.98Å; Y284-F338 HydrophobicContact CD2-CE2 4.28Å; Y284-F338 HydrophobicContact CD2-CZ 4.16Å; Y284-F338 HydrophobicContact CE1-CE2 4.2Å; Y284-F338 AromaticContact CG-CE2 3.69Å; Y284-F338 HydrophobicContact CG-CE2 3.69Å; Y284-F338 AromaticContact CG-CZ 3.59Å; Y284-F338 HydrophobicContact CG-CZ 3.59Å; Y284-M351 HydrophobicContact CD1-CE 4.29Å; Y284-M351 HydrophobicContact CE1-CB 4.44Å; Y284-M351 HydrophobicContact CE1-CE 4.45Å; Y284-M351 HydrophobicContact CE1-CG 3.9Å; Y284-M351 HydrophobicContact CE1-SD 4.22Å
285L98.4Very high97.2Very high2 Ų222.2 Ų22.21%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-118124.7-179-57.4-173.7000109.8T238 L248 M265 L272 P274 V283 R294 F296T238-L285 HydrophobicContact CG2-CD1 4.43Å; T238-L285 HydrophobicContact CG2-CD2 3.84Å; L248-L285 HydrophobicContact CB-CD1 4.46Å; L248-L285 HydrophobicContact CD1-CD1 4.05Å; L248-L285 HydrophobicContact CD2-CD1 4.06Å; L248-L285 HydrophobicContact CG-CD1 4.44Å; M265-L285 HydrophobicContact CE-CB 4.44Å; M265-L285 HydrophobicContact CE-CD1 3.75Å; M265-L285 HydrophobicContact SD-CD1 3.72Å; L272-L285 HydrophobicContact CD1-CD1 4.41Å; L272-L285 HydrophobicContact CD2-CB 4.22Å; P274-L285 HydrophobicContact CB-CD2 3.78Å; V283-L285 HydrophobicContact CG1-CD2 3.52Å; V283-L285 HydrophobicContact CG1-CG 3.89Å; L285-R294 PolarHBondContact N-O 2.87Å; L285-R294 PolarHBondContact O-N 2.89Å; L285-F296 HydrophobicContact CD1-CD2 4.23Å; L285-F296 HydrophobicContact CD1-CE2 3.65Å; L285-F296 HydrophobicContact CD1-CZ 4.34Å; L285-F296 HydrophobicContact CG-CD2 4.29Å; L285-F296 HydrophobicContact CG-CE2 4Å
286C96.4Very high97.2Very high0 Ų020.9 Ų20.90%012%0.122CC..EExtended strand (participates in β ladder)trans-147.9144.3170.665.20000110.6L273 F275 I293 Q317L273-C286 WeakPolarHBondContact CB-O 3.3Å; L273-C286 PolarHBondContact N-O 2.82Å; L273-C286 PolarHBondContact O-N 2.85Å; F275-C286 VanDerWaalsContact CE2-SG 3.55Å; C286-I293 HydrophobicContact CB-CB 4.37Å; C286-I293 HydrophobicContact CB-CG1 3.92Å; C286-I293 HydrophobicContact CB-CG2 4.31Å; C286-Q317 VanDerWaalsContact CB-NE2 3.29Å; C286-Q317 PolarHBondContact SG-NE2 2.88Å
287G95.1Very high97.1Very high0 Ų020 Ų200%012%0.119CC..EExtended strand (participates in β ladder)trans-122.1154.7-18000000112V271 G289 D290 Q317V271-G287 WeakPolarHBondContact O-CA 3.36Å; G287-G289 PolarHBondContact O-N 2.93Å; G287-D290 VanDerWaalsContact CA-OD2 3.26Å; G287-D290 WeakPolarHBondContact CA-OD2 3.42Å; G287-D290 PolarHBondContact N-OD2 2.94Å; G287-D290 VanDerWaalsContact O-CB 3.31Å; G287-D290 WeakPolarHBondContact O-CB 3.27Å; G287-D290 PolarHBondContact O-N 3.35Å; G287-Q317 VanDerWaalsContact O-CD 3.31Å; G287-Q317 WeakPolarHBondContact O-CG 3.1Å; G287-Q317 PolarHBondContact O-NE2 2.81Å
288K94.3Very high97.1Very high52 Ų5220 Ų2023%0.22612%0.119CC..THydrogen-bonded Turntrans-59129172.5-171.8169.1-173.9174.70109.5V35 R318V35-K288 PolarHBondContact O-NZ 2.78Å; K288-R318 WeakPolarHBondContact CD-O 3.21Å; K288-R318 WeakPolarHBondContact CE-O 3.38Å; K288-R318 WeakPolarHBondContact CG-O 3.45Å
289G95.1Very high97.1Very high48 Ų4818.3 Ų18.350%0.49511%0.108SC..THydrogen-bonded Turntrans90.5-12.2-174.400000114.9G287 P316 Q317G287-G289 PolarHBondContact O-N 2.93Å; G289-P316 VanDerWaalsContact O-CB 3.31Å; G289-P316 WeakPolarHBondContact O-CB 3.36Å; G289-Q317 PolarHBondContact N-O 2.92Å
290D96.3Very high96.9Very high14 Ų1422.7 Ų22.78%0.07513%0.131CC..  trans-75.6149176.2-68.6-35.9000111.5R246 G287 P316 Q317R246-D290 IonicContact CZ-OD1 2.79Å; R246-D290 IonicContact CZ-OD2 2.72Å; R246-D290 VanDerWaalsContact NH1-CG 3.34Å; R246-D290 IonicContact NH1-OD1 3.91Å; R246-D290 PolarHBondContact NH1-OD1 2.92Å; R246-D290 VanDerWaalsContact NH1-OD1 3.16Å; R246-D290 IonicContact NH1-OD2 3.72Å; R246-D290 PolarHBondContact NH1-OD2 3.36Å; R246-D290 IonicContact NH2-OD1 3.21Å; R246-D290 PolarHBondContact NH2-OD1 2.76Å; R246-D290 IonicContact NH2-OD2 3.47Å; R246-D290 PolarHBondContact NH2-OD2 3.1Å; G287-D290 VanDerWaalsContact CA-OD2 3.26Å; G287-D290 WeakPolarHBondContact CA-OD2 3.42Å; G287-D290 PolarHBondContact N-OD2 2.94Å; G287-D290 VanDerWaalsContact O-CB 3.31Å; G287-D290 WeakPolarHBondContact O-CB 3.27Å; G287-D290 PolarHBondContact O-N 3.35Å; D290-P316 CarbonylContact O-C 3.55Å; D290-P316 WeakPolarHBondContact O-CA 3.45Å; D290-Q317 WeakPolarHBondContact O-CG 3.32Å; D290-Q317 PolarHBondContact O-N 2.84Å
291C97.1Very high96.7Very high41 Ų4128 Ų2828%0.27716%0.156SC..SBendtrans-97.46.2169.1-60.70000112.7S313C291-S313 VanDerWaalsContact CB-O 3.29Å; C291-S313 WeakPolarHBondContact CB-O 3.18Å; C291-S313 PolarHBondContact O-N 2.85Å; C291-S313 PolarHBondContact O-OG 3.1Å
292T97.1Very high96.4Very high25 Ų2528.8 Ų28.815%0.15317%0.166CC..EExtended strand (participates in β ladder)trans-130.5147.9-170.661.50000112.9L310 Y311T292-L310 HydrophobicContact CG2-CD1 4.25Å; T292-Y311 CarbonylContact C-O 3.58Å; T292-Y311 WeakPolarHBondContact CA-O 3.43Å; T292-Y311 VanDerWaalsContact CB-O 3.3Å; T292-Y311 WeakPolarHBondContact CB-O 3.42Å
293I98.1Very high96.3Very high1 Ų132.4 Ų32.41%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-117.8113.7165.8-54.5171.8000106.8C286 L310 Y311 F338 I349 M351C286-I293 HydrophobicContact CB-CB 4.37Å; C286-I293 HydrophobicContact CB-CG1 3.92Å; C286-I293 HydrophobicContact CB-CG2 4.31Å; I293-L310 CarbonylContact O-C 3.51Å; I293-L310 VanDerWaalsContact O-CA 3.32Å; I293-L310 WeakPolarHBondContact O-CA 3.26Å; I293-Y311 HydrophobicContact CD1-CD1 4.18Å; I293-Y311 HydrophobicContact CG1-CD1 4.21Å; I293-Y311 PolarHBondContact N-O 3.22Å; I293-Y311 PolarHBondContact O-N 3.34Å; I293-F338 HydrophobicContact CD1-CB 4.19Å; I293-F338 HydrophobicContact CD1-CD1 4.13Å; I293-F338 HydrophobicContact CD1-CD2 4.3Å; I293-F338 HydrophobicContact CD1-CG 3.93Å; I293-F338 HydrophobicContact CG2-CE2 4.3Å; I293-F338 HydrophobicContact CG2-CZ 4.23Å; I293-I349 HydrophobicContact CD1-CD1 3.97Å; I293-M351 HydrophobicContact CB-CE 4.37Å; I293-M351 HydrophobicContact CD1-CE 4.37Å; I293-M351 HydrophobicContact CG2-CE 4.03Å
294R98.3Very high96.2Very high43 Ų4335.6 Ų35.616%0.16220%0.202CC..EExtended strand (participates in β ladder)trans-93.3145.8178-67.6173.6-178.5120.3-5109.4M265 D266 Y284 L285 F296 F307 L310M265-R294 HydrophobicContact CE-CB 4.48Å; D266-R294 IonicContact OD2-CZ 2.73Å; D266-R294 IonicContact OD2-NH1 3.17Å; D266-R294 PolarHBondContact OD2-NH1 2.91Å; D266-R294 IonicContact OD2-NH2 4Å; D266-R294 PolarHBondContact OD2-NH2 3.23Å; Y284-R294 CarbonylContact C-O 3.52Å; Y284-R294 WeakPolarHBondContact CA-O 3.12Å; L285-R294 PolarHBondContact N-O 2.87Å; L285-R294 PolarHBondContact O-N 2.89Å; R294-F296 HydrophobicContact CB-CE2 3.84Å; R294-F296 HydrophobicContact CB-CZ 4.36Å; R294-F307 HydrophobicContact CB-CE2 4.34Å; R294-F307 HydrophobicContact CG-CE2 4.42Å; R294-L310 HydrophobicContact CG-CB 3.92Å
295Y98.1Very high96.1Very high3 Ų336 Ų361%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-138.9144.6178.542.2-87.4000113.3V16 M282 V283 Y284 L308 S309 M351V16-Y295 HydrophobicContact CB-CE2 4.3Å; V16-Y295 HydrophobicContact CG1-CE2 4.06Å; V16-Y295 PolarHBondContact O-OH 3.41Å; M282-Y295 HydrophobicContact CE-CD2 4.04Å; M282-Y295 HydrophobicContact CE-CG 4.48Å; V283-Y295 CarbonylContact O-C 3.55Å; V283-Y295 WeakPolarHBondContact O-CA 3.32Å; Y284-Y295 VanDerWaalsContact CD1-CB 3.47Å; Y284-Y295 HydrophobicContact CD1-CD1 4.2Å; Y284-Y295 HydrophobicContact CD1-CG 4.08Å; Y284-Y295 HydrophobicContact CE1-CD1 4.47Å; Y284-Y295 HydrophobicContact CE1-CG 4.15Å; Y295-L308 HydrophobicContact CD2-CB 3.89Å; Y295-L308 HydrophobicContact CD2-CD1 4.28Å; Y295-L308 HydrophobicContact CE2-CB 4.19Å; Y295-L308 PolarHBondContact O-N 2.91Å; Y295-S309 PolarHBondContact N-O 3.44Å; Y295-S309 VanDerWaalsContact N-O 3.08Å; Y295-S309 VanDerWaalsContact OH-CB 3.31Å; Y295-S309 WeakPolarHBondContact OH-CB 3.37Å; Y295-S309 PolarHBondContact OH-OG 2.8Å; Y295-M351 HydrophobicContact CD1-CE 4.38Å; Y295-M351 HydrophobicContact CD1-SD 4.34Å; Y295-M351 HydrophobicContact CE1-CE 4.4Å; Y295-M351 HydrophobicContact CE1-SD 4.11Å
296F98.2Very high96Very high2 Ų237.2 Ų37.21%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-132.3152.4-169.7-56.4-101.7000108.9L248 M265 M282 V283 L285 R294 V305 H306 F307L248-F296 HydrophobicContact CD2-CD1 4.34Å; L248-F296 HydrophobicContact CD2-CD2 4.47Å; L248-F296 HydrophobicContact CD2-CE1 4.31Å; L248-F296 HydrophobicContact CD2-CE2 4.47Å; L248-F296 HydrophobicContact CD2-CG 4.43Å; L248-F296 HydrophobicContact CD2-CZ 4.39Å; M265-F296 HydrophobicContact CE-CE2 4.39Å; M265-F296 HydrophobicContact CE-CZ 4.18Å; M282-F296 CarbonylContact C-O 3.57Å; M282-F296 VanDerWaalsContact CA-O 3.3Å; M282-F296 WeakPolarHBondContact CA-O 3.28Å; V283-F296 PolarHBondContact N-O 2.88Å; V283-F296 PolarHBondContact O-N 3.2Å; L285-F296 HydrophobicContact CD1-CD2 4.23Å; L285-F296 HydrophobicContact CD1-CE2 3.65Å; L285-F296 HydrophobicContact CD1-CZ 4.34Å; L285-F296 HydrophobicContact CG-CD2 4.29Å; L285-F296 HydrophobicContact CG-CE2 4Å; R294-F296 HydrophobicContact CB-CE2 3.84Å; R294-F296 HydrophobicContact CB-CZ 4.36Å; F296-V305 HydrophobicContact CB-CG1 3.89Å; F296-V305 HydrophobicContact CD1-CG1 3.84Å; F296-V305 HydrophobicContact CG-CG1 4.1Å; F296-H306 CarbonylContact C-O 3.54Å; F296-H306 WeakPolarHBondContact CA-O 3.38Å; F296-F307 VanDerWaalsContact CD1-CA 3.49Å; F296-F307 HydrophobicContact CD1-CB 3.86Å; F296-F307 HydrophobicContact CD1-CD2 4.12Å; F296-F307 HydrophobicContact CE1-CB 3.78Å; F296-F307 AromaticContact CE1-CD2 3.64Å; F296-F307 HydrophobicContact CE1-CD2 3.64Å; F296-F307 HydrophobicContact CE1-CG 4.19Å; F296-F307 HydrophobicContact CE2-CD2 4.42Å; F296-F307 AromaticContact CZ-CD2 3.8Å; F296-F307 HydrophobicContact CZ-CD2 3.8Å
297E97.8Very high96.1Very high19 Ų1941.9 Ų41.99%0.08923%0.231CC..EExtended strand (participates in β ladder)trans-107.2130.4168.1-171.8-176.7175.300108.7R9 S11 F13 T299 H306 L308R9-E297 IonicContact CZ-OE1 2.72Å; R9-E297 IonicContact CZ-OE2 3.93Å; R9-E297 VanDerWaalsContact CZ-OE2 3.3Å; R9-E297 IonicContact NH1-OE2 3.34Å; R9-E297 PolarHBondContact NH1-OE2 3.17Å; R9-E297 IonicContact NH2-OE1 3.33Å; R9-E297 PolarHBondContact NH2-OE1 3.22Å; R9-E297 IonicContact NH2-OE2 2.68Å; R9-E297 PolarHBondContact NH2-OE2 3.27Å; S11-E297 WeakPolarHBondContact CB-OE2 3.42Å; S11-E297 PolarHBondContact OG-OE2 3.37Å; F13-E297 HydrophobicContact CD2-CG 4.27Å; E297-T299 HydrophobicContact CG-CG2 4.07Å; E297-H306 PolarHBondContact N-O 2.94Å; E297-H306 PolarHBondContact O-N 2.97Å; E297-L308 HydrophobicContact CB-CD1 4.12Å; E297-L308 HydrophobicContact CB-CD2 4.18Å; E297-L308 HydrophobicContact CB-CG 4.21Å
298V97.3Very high96.1Very high6 Ų642.5 Ų42.54%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-98.3131.2174.9-172.30000109.2L230 L236 L250 N281 Y304L230-V298 HydrophobicContact CD1-CB 4.35Å; L230-V298 HydrophobicContact CD1-CG1 3.8Å; L230-V298 HydrophobicContact CD1-CG2 4.25Å; L236-V298 HydrophobicContact CD1-CG2 4.35Å; L250-V298 HydrophobicContact CD1-CG1 4.42Å; L250-V298 HydrophobicContact CD2-CG1 4.21Å; N281-V298 WeakPolarHBondContact CB-O 3.48Å; N281-V298 PolarHBondContact O-N 2.96Å; V298-Y304 CarbonylContact C-O 3.56Å; V298-Y304 WeakPolarHBondContact CA-O 3.48Å
299T96.3Very high96.3Very high27 Ų2742 Ų4217%0.16624%0.237CC..  trans-142.2168.7-179.766.20000110.8R9 E297 E301 Y304 H306R9-T299 VanDerWaalsContact NH2-CG2 3.27Å; E297-T299 HydrophobicContact CG-CG2 4.07Å; T299-E301 PolarHBondContact O-N 2.92Å; T299-E301 PolarHBondContact OG1-N 2.85Å; T299-E301 PolarHBondContact OG1-O 2.67Å; T299-Y304 PolarHBondContact N-O 3.19Å; T299-Y304 WeakPolarHBondContact O-CA 3.24Å; T299-Y304 WeakPolarHBondContact O-CB 3.23Å; T299-H306 PolarHBondContact OG1-CD2 3.39Å; T299-H306 VanDerWaalsContact OG1-CD2 3.29Å; T299-H306 PolarHBondContact OG1-NE2 3.4Å
300D93.4Very high96.3Very high123 Ų12343.2 Ų43.266%0.65823%0.232SC*.SBendtrans-80.6-1.7172.4-60.3-49.8000113.4K234 Y304K234-D300 IonicContact NZ-OD1 3.37Å; K234-D300 PolarHBondContact NZ-OD1 3.29Å; D300-Y304 WeakPolarHBondContact O-CE1 3.41Å
301E92.6Very high96.4Very high118 Ų11843.8 Ų43.855%0.55123%0.233SC*.SBendtrans-93123.4176.9-172.3-173.4-177.400110.7T299 Y304 H306T299-E301 PolarHBondContact O-N 2.92Å; T299-E301 PolarHBondContact OG1-N 2.85Å; T299-E301 PolarHBondContact OG1-O 2.67Å; E301-Y304 WeakPolarHBondContact O-CA 3.4Å; E301-Y304 PolarHBondContact O-N 2.95Å; E301-H306 PolarHBondContact O-NE2 3.07Å
302S91.3Very high96.4Very high81 Ų8145.5 Ų45.557%0.56625%0.245SC*.THydrogen-bonded Turntrans-49.7134.9173.3-176.90000111.9Y304S302-Y304 VanDerWaalsContact C-N 3.29Å; S302-Y304 VanDerWaalsContact CA-N 3.26Å
303P94.3Very high96.4Very high76 Ų7645.5 Ų45.549%0.49425%0.247SC..THydrogen-bonded Turncis-82.320.99.234.9-40.2000115.6A261 V305A261-P303 WeakPolarHBondContact CB-O 3.11Å; P303-V305 PolarHBondContact O-N 2.78Å
304Y95.9Very high96.2Very high67 Ų6755.2 Ų55.226%0.26329%0.289SS..SBendtrans70-47.4177.4-47.3-74.6000114.2L250 M260 A261 V298 T299 D300 E301 S302 H306L250-Y304 HydrophobicContact CD2-CG 4.36Å; M260-Y304 HydrophobicContact CB-CD2 4.25Å; M260-Y304 HydrophobicContact CB-CE2 4.4Å; M260-Y304 HydrophobicContact CE-CD1 4.11Å; M260-Y304 HydrophobicContact CE-CD2 4.47Å; M260-Y304 HydrophobicContact CE-CE1 4.05Å; M260-Y304 HydrophobicContact CE-CE2 4.4Å; M260-Y304 HydrophobicContact CE-CG 4.33Å; A261-Y304 HydrophobicContact CB-CD2 4.4Å; V298-Y304 CarbonylContact C-O 3.56Å; V298-Y304 WeakPolarHBondContact CA-O 3.48Å; T299-Y304 PolarHBondContact N-O 3.19Å; T299-Y304 WeakPolarHBondContact O-CA 3.24Å; T299-Y304 WeakPolarHBondContact O-CB 3.23Å; D300-Y304 WeakPolarHBondContact O-CE1 3.41Å; E301-Y304 WeakPolarHBondContact O-CA 3.4Å; E301-Y304 PolarHBondContact O-N 2.95Å; S302-Y304 VanDerWaalsContact C-N 3.29Å; S302-Y304 VanDerWaalsContact CA-N 3.26Å; Y304-H306 PolarHBondContact O-CD2 3.23Å
305V97.1Very high96Very high9 Ų958 Ų586%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-104.9112.5177.5-173.40000109.2L248 L250 F296 P303L248-V305 HydrophobicContact CD2-CG1 3.69Å; L250-V305 HydrophobicContact CB-CG2 3.97Å; L250-V305 HydrophobicContact CD2-CG2 3.97Å; L250-V305 HydrophobicContact CG-CG2 4.45Å; F296-V305 HydrophobicContact CB-CG1 3.89Å; F296-V305 HydrophobicContact CD1-CG1 3.84Å; F296-V305 HydrophobicContact CG-CG1 4.1Å; P303-V305 PolarHBondContact O-N 2.78Å
306H96.9Very high95.9Very high26 Ų2661.2 Ų61.212%0.1233%0.325CS..EExtended strand (participates in β ladder)trans-109.7113.5-174.1-60.6-92.3000110.3R9 F296 E297 T299 E301 Y304 L308R9-H306 WeakPolarHBondContact CD-ND1 3.19Å; F296-H306 CarbonylContact C-O 3.54Å; F296-H306 WeakPolarHBondContact CA-O 3.38Å; E297-H306 PolarHBondContact N-O 2.94Å; E297-H306 PolarHBondContact O-N 2.97Å; T299-H306 PolarHBondContact OG1-CD2 3.39Å; T299-H306 VanDerWaalsContact OG1-CD2 3.29Å; T299-H306 PolarHBondContact OG1-NE2 3.4Å; E301-H306 PolarHBondContact O-NE2 3.07Å; Y304-H306 PolarHBondContact O-CD2 3.23Å; H306-L308 PolarHBondContact O-N 2.93Å
307F96.8Very high95.8Very high98 Ų9861.2 Ų61.243%0.4333%0.325SS..EExtended strand (participates in β ladder)trans-61.9128.8172.1177.8-104.1000110.6R294 F296 S309 L310R294-F307 HydrophobicContact CB-CE2 4.34Å; R294-F307 HydrophobicContact CG-CE2 4.42Å; F296-F307 VanDerWaalsContact CD1-CA 3.49Å; F296-F307 HydrophobicContact CD1-CB 3.86Å; F296-F307 HydrophobicContact CD1-CD2 4.12Å; F296-F307 HydrophobicContact CE1-CB 3.78Å; F296-F307 AromaticContact CE1-CD2 3.64Å; F296-F307 HydrophobicContact CE1-CD2 3.64Å; F296-F307 HydrophobicContact CE1-CG 4.19Å; F296-F307 HydrophobicContact CE2-CD2 4.42Å; F296-F307 AromaticContact CZ-CD2 3.8Å; F296-F307 HydrophobicContact CZ-CD2 3.8Å; F307-S309 VanDerWaalsContact CE2-O 3.26Å; F307-S309 WeakPolarHBondContact CE2-O 3.37Å; F307-S309 VanDerWaalsContact CZ-C 3.44Å; F307-S309 WeakPolarHBondContact CZ-O 3.14Å; F307-L310 HydrophobicContact CZ-CB 4.36Å; F307-L310 HydrophobicContact CZ-CD2 4.33Å
308L96.4Very high95.8Very high13 Ų1364.2 Ų64.27%0.06834%0.336CS..EExtended strand (participates in β ladder)trans-98.4-63.9177.9-63.6177.6000111.1F13 M282 Y295 E297 H306F13-L308 HydrophobicContact CB-CD1 3.8Å; M282-L308 HydrophobicContact CE-CD1 3.47Å; M282-L308 VanDerWaalsContact CE-CD1 3.47Å; M282-L308 HydrophobicContact SD-CD1 4.32Å; Y295-L308 HydrophobicContact CD2-CB 3.89Å; Y295-L308 HydrophobicContact CD2-CD1 4.28Å; Y295-L308 HydrophobicContact CE2-CB 4.19Å; Y295-L308 PolarHBondContact O-N 2.91Å; E297-L308 HydrophobicContact CB-CD1 4.12Å; E297-L308 HydrophobicContact CB-CD2 4.18Å; E297-L308 HydrophobicContact CB-CG 4.21Å; H306-L308 PolarHBondContact O-N 2.93Å
309S97Very high95.7Very high43 Ų4364 Ų6430%0.30134%0.335SS..EExtended strand (participates in β ladder)trans-167.6-175.3-177.7-174.30000109.7Y295 F307Y295-S309 PolarHBondContact N-O 3.44Å; Y295-S309 VanDerWaalsContact N-O 3.08Å; Y295-S309 VanDerWaalsContact OH-CB 3.31Å; Y295-S309 WeakPolarHBondContact OH-CB 3.37Å; Y295-S309 PolarHBondContact OH-OG 2.8Å; F307-S309 VanDerWaalsContact CE2-O 3.26Å; F307-S309 WeakPolarHBondContact CE2-O 3.37Å; F307-S309 VanDerWaalsContact CZ-C 3.44Å; F307-S309 WeakPolarHBondContact CZ-O 3.14Å
310L97.1Very high95.8Very high72 Ų7262.8 Ų62.838%0.37733%0.327SS..EExtended strand (participates in β ladder)trans-136.8147.61746686.5000110.9T292 I293 R294 F307T292-L310 HydrophobicContact CG2-CD1 4.25Å; I293-L310 CarbonylContact O-C 3.51Å; I293-L310 VanDerWaalsContact O-CA 3.32Å; I293-L310 WeakPolarHBondContact O-CA 3.26Å; R294-L310 HydrophobicContact CG-CB 3.92Å; F307-L310 HydrophobicContact CZ-CB 4.36Å; F307-L310 HydrophobicContact CZ-CD2 4.33Å
311Y98.1Very high96Very high26 Ų2656.9 Ų56.910%0.10230%0.296CS..EExtended strand (participates in β ladder)trans-84.7141.5159.5173-106.6000108.7A18 A20 T292 I293 I349A18-Y311 HydrophobicContact CB-CD2 3.58Å; A18-Y311 HydrophobicContact CB-CG 3.86Å; A20-Y311 HydrophobicContact CB-CE2 4.37Å; T292-Y311 CarbonylContact C-O 3.58Å; T292-Y311 WeakPolarHBondContact CA-O 3.43Å; T292-Y311 VanDerWaalsContact CB-O 3.3Å; T292-Y311 WeakPolarHBondContact CB-O 3.42Å; I293-Y311 HydrophobicContact CD1-CD1 4.18Å; I293-Y311 HydrophobicContact CG1-CD1 4.21Å; I293-Y311 PolarHBondContact N-O 3.22Å; I293-Y311 PolarHBondContact O-N 3.34Å; Y311-I349 HydrophobicContact CD1-CD1 3.96Å; Y311-I349 HydrophobicContact CD2-CG2 4.27Å; Y311-I349 HydrophobicContact CE1-CD1 3.44Å; Y311-I349 VanDerWaalsContact CE1-CD1 3.44Å; Y311-I349 HydrophobicContact CE1-CG1 4.39Å; Y311-I349 HydrophobicContact CE2-CG2 4.3Å; Y311-I349 HydrophobicContact CG-CG2 4.43Å
312S97.2Very high96.2Very high77 Ų7753.3 Ų53.354%0.53828%0.278SS..EExtended strand (participates in β ladder)trans-133.7148.3174.8-174.50000110.5
313S95.8Very high96.5Very high26 Ų2649.5 Ų49.518%0.18225%0.252CS..  trans-146.2173.2-178.561.10000110C291 E315 K340C291-S313 VanDerWaalsContact CB-O 3.29Å; C291-S313 WeakPolarHBondContact CB-O 3.18Å; C291-S313 PolarHBondContact O-N 2.85Å; C291-S313 PolarHBondContact O-OG 3.1Å; S313-E315 PolarHBondContact OG-O 2.79Å; S313-K340 PolarHBondContact OG-NZ 3.09Å
314K94.7Very high96.5Very high205 Ų20547.8 Ų47.889%0.89124%0.241SC*.SBendtrans-88.3-27179.9-63.9-179-179.11780113.2
315E94.6Very high96.4Very high102 Ų10245.4 Ų45.448%0.47723%0.232SC..SBendtrans-103.8135.1-171.8-67.6177.9175.800110.7S313 K340 H342S313-E315 PolarHBondContact OG-O 2.79Å; E315-K340 PolarHBondContact O-NZ 3.25Å; E315-H342 WeakPolarHBondContact CB-ND1 3.4Å; E315-H342 IonicContact OE2-CE1 3.3Å; E315-H342 PolarHBondContact OE2-CE1 3.37Å; E315-H342 IonicContact OE2-CG 2.98Å; E315-H342 IonicContact OE2-ND1 2.85Å; E315-H342 PolarHBondContact OE2-ND1 3.35Å
316P96.2Very high96.4Very high69 Ų6945.9 Ų45.945%0.44823%0.233SC..PPolyproline II helixtrans-72.4141.3179.129.7-34.5000111.1G289 D290G289-P316 VanDerWaalsContact O-CB 3.31Å; G289-P316 WeakPolarHBondContact O-CB 3.36Å; D290-P316 CarbonylContact O-C 3.55Å; D290-P316 WeakPolarHBondContact O-CA 3.45Å
317Q96.1Very high96.3Very high3 Ų345.3 Ų45.31%0.01423%0.234CC..PPolyproline II helixtrans-76.5139.3175.668.9-173.759.500112C286 G287 G289 D290 K340 L341C286-Q317 VanDerWaalsContact CB-NE2 3.29Å; C286-Q317 PolarHBondContact SG-NE2 2.88Å; G287-Q317 VanDerWaalsContact O-CD 3.31Å; G287-Q317 WeakPolarHBondContact O-CG 3.1Å; G287-Q317 PolarHBondContact O-NE2 2.81Å; G289-Q317 PolarHBondContact N-O 2.92Å; D290-Q317 WeakPolarHBondContact O-CG 3.32Å; D290-Q317 PolarHBondContact O-N 2.84Å; Q317-K340 HydrophobicContact CB-CD 4.4Å; Q317-K340 HydrophobicContact CB-CG 3.92Å; Q317-L341 CarbonylContact C-O 3.56Å; Q317-L341 VanDerWaalsContact CA-O 3.32Å; Q317-L341 WeakPolarHBondContact CA-O 3.45Å
318R96.4Very high96.3Very high82 Ų8241.3 Ų41.331%0.30922%0.217SC..SBendtrans-85.3-25168.1-68.7-70.2-171.8171.31.8112.3V32 K288 L341 E343V32-R318 HydrophobicContact CG1-CB 4Å; K288-R318 WeakPolarHBondContact CD-O 3.21Å; K288-R318 WeakPolarHBondContact CE-O 3.38Å; K288-R318 WeakPolarHBondContact CG-O 3.45Å; R318-L341 HydrophobicContact CB-CB 4.3Å; R318-L341 PolarHBondContact N-O 2.6Å; R318-E343 IonicContact CZ-OE2 3.15Å; R318-E343 IonicContact NH2-OE2 3.02Å; R318-E343 PolarHBondContact NH2-OE2 2.87Å
319G96.4Very high96.2Very high2 Ų242.5 Ų42.52%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-179.7-179.2-177.300000109.5P40 L341P40-G319 CarbonylContact O-C 3.51Å; P40-G319 VanDerWaalsContact O-CA 3.28Å; P40-G319 WeakPolarHBondContact O-CA 3.33Å; G319-L341 WeakPolarHBondContact O-CB 3.37Å; G319-L341 PolarHBondContact O-N 2.94Å
320A97.1Very high96.1Very high0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-154.5130.6-179.500000110.3P40 F275 F338 Y339P40-A320 VanDerWaalsContact CB-O 3.23Å; P40-A320 WeakPolarHBondContact CB-O 3.4Å; P40-A320 PolarHBondContact O-N 3Å; F275-A320 HydrophobicContact CZ-CB 4.35Å; A320-F338 HydrophobicContact CB-CD1 4.31Å; A320-Y339 WeakPolarHBondContact CA-O 3.08Å
321G97.6Very high96Very high0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-90.7149.7164.600000110.8F338 Y339G321-F338 CarbonylContact O-C 3.55Å; G321-F338 WeakPolarHBondContact O-CA 3.31Å; G321-Y339 PolarHBondContact N-O 2.89Å; G321-Y339 PolarHBondContact O-N 2.84Å
322F98Very high95.8Very high43 Ų4349 Ų4919%0.18925%0.251CS..EExtended strand (participates in β ladder)trans-123.1123.6175.7-173.7-104.7000109.4F275 D277 Y284 A336 F338F275-F322 HydrophobicContact CB-CD2 4.12Å; F275-F322 HydrophobicContact CB-CE2 4.4Å; F275-F322 HydrophobicContact CB-CG 4.19Å; F275-F322 HydrophobicContact CD1-CB 3.41Å; F275-F322 VanDerWaalsContact CD1-CB 3.41Å; F275-F322 HydrophobicContact CD1-CD2 4.44Å; F275-F322 AromaticContact CD1-CG 3.93Å; F275-F322 HydrophobicContact CD1-CG 3.93Å; F275-F322 HydrophobicContact CE1-CB 3.81Å; F275-F322 HydrophobicContact CG-CB 4.18Å; F275-F322 HydrophobicContact CG-CD2 4.43Å; F275-F322 HydrophobicContact CG-CG 4.33Å; D277-F322 HydrophobicContact CB-CZ 4.46Å; Y284-F322 AromaticContact CD2-CE2 3.91Å; Y284-F322 HydrophobicContact CD2-CE2 3.91Å; Y284-F322 HydrophobicContact CD2-CZ 4.24Å; Y284-F322 HydrophobicContact CE2-CE2 4.02Å; Y284-F322 HydrophobicContact CE2-CZ 4.11Å; F322-A336 HydrophobicContact CE2-CB 3.69Å; F322-A336 HydrophobicContact CZ-CB 3.91Å; F322-F338 HydrophobicContact CD2-CD1 4.19Å; F322-F338 HydrophobicContact CD2-CD2 4.26Å; F322-F338 AromaticContact CD2-CE1 3.66Å; F322-F338 HydrophobicContact CD2-CE1 3.66Å; F322-F338 AromaticContact CD2-CE2 3.72Å; F322-F338 HydrophobicContact CD2-CE2 3.72Å; F322-F338 HydrophobicContact CD2-CG 4.46Å; F322-F338 AromaticContact CD2-CZ 3.37Å; F322-F338 HydrophobicContact CD2-CZ 3.37Å; F322-F338 HydrophobicContact CE2-CD2 4.48Å; F322-F338 HydrophobicContact CE2-CE1 4.37Å; F322-F338 AromaticContact CE2-CE2 3.7Å; F322-F338 HydrophobicContact CE2-CE2 3.7Å; F322-F338 AromaticContact CE2-CZ 3.62Å; F322-F338 HydrophobicContact CE2-CZ 3.62Å
323L97.8Very high95.8Very high1 Ų145.7 Ų45.71%0.00523%0.228CC..BIsolated β-bridgetrans-78.7127.1-179.5-175.160.3000110.1V44 N45 I66 G327 R337 Y339V44-L323 HydrophobicContact CB-CD1 4.41Å; V44-L323 HydrophobicContact CG1-CD1 3.8Å; N45-L323 WeakPolarHBondContact O-CD1 3.24Å; I66-L323 HydrophobicContact CD1-CD1 3.78Å; I66-L323 HydrophobicContact CD1-CD2 4.13Å; L323-G327 VanDerWaalsContact CD2-C 3.49Å; L323-G327 VanDerWaalsContact CD2-O 3.25Å; L323-G327 WeakPolarHBondContact CD2-O 3.49Å; L323-R337 HydrophobicContact CB-CB 4Å; L323-R337 WeakPolarHBondContact CB-O 3.46Å; L323-R337 HydrophobicContact CD2-CB 3.93Å; L323-R337 PolarHBondContact N-O 2.92Å; L323-Y339 HydrophobicContact CB-CE2 4.3Å; L323-Y339 HydrophobicContact CD2-CE2 4.44Å
324C92.9Very high95.8Very high40 Ų4044.6 Ų44.627%0.2722%0.22SC..  trans-60.6160174.573.70000112.2P46 R326 G327P46-C324 VanDerWaalsContact CD-SG 3.54Å; C324-R326 PolarHBondContact O-N 2.68Å; C324-R326 VanDerWaalsContact O-N 3.11Å; C324-G327 PolarHBondContact O-N 3.46Å
325K95.3Very high96Very high16 Ų1634.9 Ų34.97%0.0718%0.178CC..G310 helixtrans-55.3-36.4-173.8-154.180.3173.3175.50113.9D277 D279 G327 V328 I335 T368 L393D277-K325 IonicContact OD1-NZ 3.47Å; D277-K325 IonicContact OD2-NZ 3.43Å; D277-K325 PolarHBondContact OD2-NZ 3.36Å; D279-K325 HydrophobicContact CB-CD 4.28Å; D279-K325 VanDerWaalsContact OD2-CD 3.27Å; D279-K325 WeakPolarHBondContact OD2-CD 3.29Å; D279-K325 WeakPolarHBondContact OD2-CG 3.46Å; K325-G327 PolarHBondContact O-N 2.75Å; K325-G327 VanDerWaalsContact O-N 3.1Å; K325-V328 WeakPolarHBondContact O-CG2 3.45Å; K325-V328 PolarHBondContact O-N 2.85Å; K325-I335 PolarHBondContact NZ-O 2.84Å; K325-T368 HydrophobicContact CB-CG2 4.21Å; K325-T368 WeakPolarHBondContact CB-OG1 3.3Å; K325-T368 HydrophobicContact CG-CG2 4.35Å; K325-L393 HydrophobicContact CG-CD1 3.75Å
326R95.8Very high96.1Very high19 Ų1930 Ų307%0.07216%0.155CC..G310 helixtrans-59.6-21.7177.8-64.9-176.6-70.9104.1-2.2113.5P46 D96 C324 L371 I391 Y397P46-R326 HydrophobicContact CG-CB 3.77Å; D96-R326 VanDerWaalsContact CG-NH1 3.28Å; D96-R326 IonicContact OD1-CZ 3.64Å; D96-R326 IonicContact OD1-NH1 3.5Å; D96-R326 PolarHBondContact OD1-NH1 3.34Å; D96-R326 IonicContact OD1-NH2 2.6Å; D96-R326 PolarHBondContact OD1-NH2 3.45Å; D96-R326 IonicContact OD2-CZ 2.81Å; D96-R326 IonicContact OD2-NH1 2.69Å; D96-R326 PolarHBondContact OD2-NH1 2.77Å; C324-R326 PolarHBondContact O-N 2.68Å; C324-R326 VanDerWaalsContact O-N 3.11Å; R326-L371 VanDerWaalsContact CZ-CD2 3.45Å; R326-L371 VanDerWaalsContact NH2-CD2 3.3Å; R326-I391 HydrophobicContact CG-CD1 4.32Å; R326-Y397 HydrophobicContact CB-CD1 3.84Å; R326-Y397 HydrophobicContact CB-CD2 4.1Å; R326-Y397 HydrophobicContact CB-CE1 3.96Å; R326-Y397 HydrophobicContact CB-CE2 4.22Å; R326-Y397 HydrophobicContact CB-CG 3.9Å; R326-Y397 HydrophobicContact CG-CD2 4.18Å; R326-Y397 HydrophobicContact CG-CE2 4.16Å; R326-Y397 HydrophobicContact CG-CG 4.48Å; R326-Y397 PolarHBondContact NH1-OH 3.3Å; R326-Y397 WeakPolarHBondContact O-CB 3.47Å; R326-Y397 VanDerWaalsContact O-CD1 3.22Å; R326-Y397 WeakPolarHBondContact O-CD1 3.31Å
327G95.4Very high96.2Very high15 Ų1527.8 Ų27.816%0.15514%0.138CC..G310 helixtrans-94.5-8.6-177.700000115.6L323 C324 K325L323-G327 VanDerWaalsContact CD2-C 3.49Å; L323-G327 VanDerWaalsContact CD2-O 3.25Å; L323-G327 WeakPolarHBondContact CD2-O 3.49Å; C324-G327 PolarHBondContact O-N 3.46Å; K325-G327 PolarHBondContact O-N 2.75Å; K325-G327 VanDerWaalsContact O-N 3.1Å
328V95.8Very high96.4Very high13 Ų1327.7 Ų27.78%0.07914%0.137CC..SBendtrans-77.8149.7-175-51.60000111.8K325 V330 E334 Y365K325-V328 WeakPolarHBondContact O-CG2 3.45Å; K325-V328 PolarHBondContact O-N 2.85Å; V328-V330 HydrophobicContact CG2-CG1 4.2Å; V328-V330 PolarHBondContact O-N 2.88Å; V328-V330 VanDerWaalsContact O-N 3.11Å; V328-E334 WeakPolarHBondContact CA-OE2 3.4Å; V328-E334 HydrophobicContact CB-CB 4.49Å; V328-E334 HydrophobicContact CB-CG 4.31Å; V328-E334 VanDerWaalsContact CG2-O 3.23Å; V328-E334 WeakPolarHBondContact CG2-O 3.38Å; V328-Y365 HydrophobicContact CG2-CE1 4.02Å
329D95Very high96.5Very high38 Ų3823.9 Ų23.920%0.20312%0.123CC..  trans-80.989.9176.6-169.9-16000110.8N331 K332 C333 E334D329-N331 PolarHBondContact O-N 3.39Å; D329-N331 WeakPolarHBondContact OD1-CB 3.35Å; D329-N331 PolarHBondContact OD1-N 2.84Å; D329-K332 HydrophobicContact CB-CB 4.33Å; D329-K332 PolarHBondContact O-N 3Å; D329-K332 VanDerWaalsContact O-N 3.09Å; D329-K332 PolarHBondContact OD1-N 3.32Å; D329-K332 WeakPolarHBondContact OD2-CD 3.28Å; D329-K332 WeakPolarHBondContact OD2-CE 3.37Å; D329-K332 WeakPolarHBondContact OD2-CG 3.5Å; D329-K332 IonicContact OD2-NZ 2.71Å; D329-K332 PolarHBondContact OD2-NZ 3.2Å; D329-C333 PolarHBondContact O-N 2.79Å; D329-E334 HydrophobicContact CB-CB 4.32Å; D329-E334 PolarHBondContact N-OE2 2.67Å; D329-E334 WeakPolarHBondContact O-CB 3.4Å; D329-E334 PolarHBondContact O-N 2.88Å
330V95.3Very high96.6Very high10 Ų1023.8 Ų23.86%0.06112%0.122CC..G310 helixtrans-60.9-28.7-179.3-60.20000113.2V328 K332 C333 F360 Y365 L393V328-V330 HydrophobicContact CG2-CG1 4.2Å; V328-V330 PolarHBondContact O-N 2.88Å; V328-V330 VanDerWaalsContact O-N 3.11Å; V330-K332 VanDerWaalsContact C-N 3.25Å; V330-K332 PolarHBondContact O-N 2.88Å; V330-C333 PolarHBondContact O-N 2.72Å; V330-F360 HydrophobicContact CB-CE2 4.34Å; V330-Y365 HydrophobicContact CB-CD2 4.27Å; V330-Y365 HydrophobicContact CB-CE1 4.39Å; V330-Y365 HydrophobicContact CB-CE2 3.96Å; V330-Y365 HydrophobicContact CG1-CD1 3.96Å; V330-Y365 HydrophobicContact CG1-CD2 4.33Å; V330-Y365 HydrophobicContact CG1-CE1 3.84Å; V330-Y365 HydrophobicContact CG1-CE2 4.23Å; V330-Y365 HydrophobicContact CG1-CG 4.21Å; V330-L393 HydrophobicContact CG1-CB 4.1Å; V330-L393 HydrophobicContact CG1-CD1 4.19Å
331N93.7Very high96.6Very high122 Ų12223.8 Ų23.865%0.65212%0.122SC*.G310 helixtrans-71.9-24.1179.5-62.7-38.5000111.7D329D329-N331 PolarHBondContact O-N 3.39Å; D329-N331 WeakPolarHBondContact OD1-CB 3.35Å; D329-N331 PolarHBondContact OD1-N 2.84Å
332K94.6Very high96.6Very high146 Ų14624.2 Ų24.264%0.63512%0.124SC*.G310 helixtrans-96.89.4175.8-66.1-168.2-172.7109.70113.6D329 V330 E334 T352D329-K332 HydrophobicContact CB-CB 4.33Å; D329-K332 PolarHBondContact O-N 3Å; D329-K332 VanDerWaalsContact O-N 3.09Å; D329-K332 PolarHBondContact OD1-N 3.32Å; D329-K332 WeakPolarHBondContact OD2-CD 3.28Å; D329-K332 WeakPolarHBondContact OD2-CE 3.37Å; D329-K332 WeakPolarHBondContact OD2-CG 3.5Å; D329-K332 IonicContact OD2-NZ 2.71Å; D329-K332 PolarHBondContact OD2-NZ 3.2Å; V330-K332 VanDerWaalsContact C-N 3.25Å; V330-K332 PolarHBondContact O-N 2.88Å; K332-E334 PolarHBondContact O-N 3.38Å; K332-T352 VanDerWaalsContact O-CG2 3.28Å; K332-T352 WeakPolarHBondContact O-CG2 3.3Å
333C96.4Very high96.5Very high8 Ų826.1 Ų26.15%0.05413%0.133CC..THydrogen-bonded Turntrans55.130-173.4-610000112.8D329 V330 I335 T352 V353 L364 Y365D329-C333 PolarHBondContact O-N 2.79Å; V330-C333 PolarHBondContact O-N 2.72Å; C333-I335 PolarHBondContact O-N 3.1Å; C333-T352 HydrophobicContact CB-CG2 4.43Å; C333-T352 WeakPolarHBondContact O-CA 3.45Å; C333-V353 WeakPolarHBondContact CB-O 3.4Å; C333-V353 PolarHBondContact O-N 3.3Å; C333-L364 HydrophobicContact CB-CD1 4.3Å; C333-Y365 WeakPolarHBondContact CA-OH 3.25Å
334E97.3Very high96.4Very high3 Ų333.8 Ų33.81%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-73.5121.5171.6-174.8-175-123.800108.7V328 D329 K332 A336 R337 S350 M351 Y365V328-E334 WeakPolarHBondContact CA-OE2 3.4Å; V328-E334 HydrophobicContact CB-CB 4.49Å; V328-E334 HydrophobicContact CB-CG 4.31Å; V328-E334 VanDerWaalsContact CG2-O 3.23Å; V328-E334 WeakPolarHBondContact CG2-O 3.38Å; D329-E334 HydrophobicContact CB-CB 4.32Å; D329-E334 PolarHBondContact N-OE2 2.67Å; D329-E334 WeakPolarHBondContact O-CB 3.4Å; D329-E334 PolarHBondContact O-N 2.88Å; K332-E334 PolarHBondContact O-N 3.38Å; E334-A336 WeakPolarHBondContact CG-O 3.4Å; E334-R337 IonicContact OE1-CZ 2.91Å; E334-R337 IonicContact OE1-NE 2.83Å; E334-R337 PolarHBondContact OE1-NE 3.22Å; E334-R337 IonicContact OE1-NH2 3.69Å; E334-R337 PolarHBondContact OE1-NH2 3.32Å; E334-R337 IonicContact OE2-CZ 3.97Å; E334-R337 IonicContact OE2-NE 2.8Å; E334-R337 PolarHBondContact OE2-NE 2.81Å; E334-R337 IonicContact OE2-NH2 2.91Å; E334-R337 PolarHBondContact OE2-NH2 2.95Å; E334-S350 WeakPolarHBondContact OE1-CB 3.33Å; E334-S350 PolarHBondContact OE1-OG 3.05Å; E334-M351 WeakPolarHBondContact CA-O 3.35Å; E334-Y365 VanDerWaalsContact C-OH 3.28Å; E334-Y365 PolarHBondContact N-OH 2.83Å; E334-Y365 VanDerWaalsContact N-OH 3.13Å; E334-Y365 WeakPolarHBondContact O-CE1 3.4Å; E334-Y365 PolarHBondContact O-OH 2.91Å
335I97.7Very high96.6Very high1 Ų133.8 Ų33.81%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-101.1-22.3-178.254.6162.8000112.8F13 V16 M282 K325 C333 M351 V353 Y365F13-I335 HydrophobicContact CD1-CD1 4.15Å; F13-I335 HydrophobicContact CE1-CD1 4.38Å; V16-I335 HydrophobicContact CG1-CD1 4.2Å; V16-I335 HydrophobicContact CG2-CD1 3.67Å; M282-I335 HydrophobicContact CE-CD1 4.35Å; M282-I335 HydrophobicContact SD-CD1 3.46Å; M282-I335 WeakPolarHBondContact SD-CD1 3.27Å; K325-I335 PolarHBondContact NZ-O 2.84Å; C333-I335 PolarHBondContact O-N 3.1Å; I335-M351 HydrophobicContact CG1-CB 4.28Å; I335-M351 VanDerWaalsContact CG1-O 3.29Å; I335-M351 WeakPolarHBondContact CG1-O 3.34Å; I335-M351 PolarHBondContact N-O 2.99Å; I335-V353 HydrophobicContact CD1-CG2 3.88Å; I335-V353 HydrophobicContact CG1-CG2 4.21Å; I335-V353 HydrophobicContact CG2-CG2 3.68Å; I335-Y365 HydrophobicContact CG2-CE1 4.44Å
336A98.1Very high96.7Very high0 Ų033 Ų330%015%0.154CC..EExtended strand (participates in β ladder)trans-154.9152.7175.300000110.4Y284 F322 E334 M351Y284-A336 HydrophobicContact CE1-CB 4.43Å; Y284-A336 HydrophobicContact CE2-CB 4.1Å; Y284-A336 WeakPolarHBondContact OH-CB 3.43Å; F322-A336 HydrophobicContact CE2-CB 3.69Å; F322-A336 HydrophobicContact CZ-CB 3.91Å; E334-A336 WeakPolarHBondContact CG-O 3.4Å; A336-M351 HydrophobicContact CB-CB 4.05Å; A336-M351 HydrophobicContact CB-CG 4.14Å; A336-M351 WeakPolarHBondContact O-CB 3.14Å; A336-M351 PolarHBondContact O-N 3.11Å
337R98.5Very high96.8Very high22 Ų2233.1 Ų33.18%0.08316%0.156CC..EExtended strand (participates in β ladder)trans-133.1125.9171.7-168.3-176.9-61159.83.3110.3L323 E334 Y339 I349L323-R337 HydrophobicContact CB-CB 4Å; L323-R337 WeakPolarHBondContact CB-O 3.46Å; L323-R337 HydrophobicContact CD2-CB 3.93Å; L323-R337 PolarHBondContact N-O 2.92Å; E334-R337 IonicContact OE1-CZ 2.91Å; E334-R337 IonicContact OE1-NE 2.83Å; E334-R337 PolarHBondContact OE1-NE 3.22Å; E334-R337 IonicContact OE1-NH2 3.69Å; E334-R337 PolarHBondContact OE1-NH2 3.32Å; E334-R337 IonicContact OE2-CZ 3.97Å; E334-R337 IonicContact OE2-NE 2.8Å; E334-R337 PolarHBondContact OE2-NE 2.81Å; E334-R337 IonicContact OE2-NH2 2.91Å; E334-R337 PolarHBondContact OE2-NH2 2.95Å; R337-Y339 HydrophobicContact CG-CE2 4.03Å; R337-I349 WeakPolarHBondContact CA-O 3.36Å
338F98.6Very high97Very high0 Ų032.7 Ų32.70%015%0.15CC..EExtended strand (participates in β ladder)trans-95.1146.4171.7-77.7-91.9000110.7F275 Y284 I293 A320 G321 F322 P348 I349 M351F275-F338 HydrophobicContact CB-CE1 4.43Å; F275-F338 HydrophobicContact CB-CZ 4.3Å; F275-F338 AromaticContact CD2-CE1 3.84Å; F275-F338 HydrophobicContact CD2-CE1 3.84Å; F275-F338 HydrophobicContact CD2-CZ 4.4Å; F275-F338 HydrophobicContact CE2-CE1 4.24Å; F275-F338 HydrophobicContact CG-CE1 4.06Å; F275-F338 HydrophobicContact CG-CZ 4.42Å; Y284-F338 AromaticContact CD1-CE2 3.61Å; Y284-F338 HydrophobicContact CD1-CE2 3.61Å; Y284-F338 AromaticContact CD1-CZ 3.98Å; Y284-F338 HydrophobicContact CD1-CZ 3.98Å; Y284-F338 HydrophobicContact CD2-CE2 4.28Å; Y284-F338 HydrophobicContact CD2-CZ 4.16Å; Y284-F338 HydrophobicContact CE1-CE2 4.2Å; Y284-F338 AromaticContact CG-CE2 3.69Å; Y284-F338 HydrophobicContact CG-CE2 3.69Å; Y284-F338 AromaticContact CG-CZ 3.59Å; Y284-F338 HydrophobicContact CG-CZ 3.59Å; I293-F338 HydrophobicContact CD1-CB 4.19Å; I293-F338 HydrophobicContact CD1-CD1 4.13Å; I293-F338 HydrophobicContact CD1-CD2 4.3Å; I293-F338 HydrophobicContact CD1-CG 3.93Å; I293-F338 HydrophobicContact CG2-CE2 4.3Å; I293-F338 HydrophobicContact CG2-CZ 4.23Å; A320-F338 HydrophobicContact CB-CD1 4.31Å; G321-F338 CarbonylContact O-C 3.55Å; G321-F338 WeakPolarHBondContact O-CA 3.31Å; F322-F338 HydrophobicContact CD2-CD1 4.19Å; F322-F338 HydrophobicContact CD2-CD2 4.26Å; F322-F338 AromaticContact CD2-CE1 3.66Å; F322-F338 HydrophobicContact CD2-CE1 3.66Å; F322-F338 AromaticContact CD2-CE2 3.72Å; F322-F338 HydrophobicContact CD2-CE2 3.72Å; F322-F338 HydrophobicContact CD2-CG 4.46Å; F322-F338 AromaticContact CD2-CZ 3.37Å; F322-F338 HydrophobicContact CD2-CZ 3.37Å; F322-F338 HydrophobicContact CE2-CD2 4.48Å; F322-F338 HydrophobicContact CE2-CE1 4.37Å; F322-F338 AromaticContact CE2-CE2 3.7Å; F322-F338 HydrophobicContact CE2-CE2 3.7Å; F322-F338 AromaticContact CE2-CZ 3.62Å; F322-F338 HydrophobicContact CE2-CZ 3.62Å; F338-P348 CarbonylContact O-C 3.58Å; F338-P348 VanDerWaalsContact O-CA 3.27Å; F338-P348 WeakPolarHBondContact O-CA 3.39Å; F338-I349 HydrophobicContact CB-CB 4.24Å; F338-I349 PolarHBondContact N-O 3.35Å; F338-I349 PolarHBondContact O-N 3.23Å; F338-M351 HydrophobicContact CD2-CE 3.62Å; F338-M351 HydrophobicContact CD2-CG 4.26Å; F338-M351 HydrophobicContact CE2-CE 3.82Å; F338-M351 HydrophobicContact CE2-CG 4.38Å
339Y98.5Very high97.1Very high2 Ų232.1 Ų32.11%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-112.987.7166.6-74.2-99000107.3V44 I49 I66 A320 G321 L323 R337 L341 V346 P348V44-Y339 HydrophobicContact CB-CD2 4.1Å; V44-Y339 HydrophobicContact CB-CE2 4.33Å; V44-Y339 HydrophobicContact CG1-CD2 3.88Å; V44-Y339 HydrophobicContact CG1-CE2 3.65Å; V44-Y339 HydrophobicContact CG2-CD2 3.66Å; V44-Y339 HydrophobicContact CG2-CE2 4.31Å; V44-Y339 HydrophobicContact CG2-CG 3.83Å; I49-Y339 HydrophobicContact CD1-CD1 3.83Å; I49-Y339 HydrophobicContact CD1-CE1 3.34Å; I49-Y339 HydrophobicContact CG1-CD1 3.99Å; I49-Y339 HydrophobicContact CG1-CE1 3.68Å; I49-Y339 HydrophobicContact CG2-CD1 4.38Å; I66-Y339 WeakPolarHBondContact CD1-OH 3.28Å; I66-Y339 VanDerWaalsContact CG1-OH 3.24Å; I66-Y339 WeakPolarHBondContact CG1-OH 3.25Å; A320-Y339 WeakPolarHBondContact CA-O 3.08Å; G321-Y339 PolarHBondContact N-O 2.89Å; G321-Y339 PolarHBondContact O-N 2.84Å; L323-Y339 HydrophobicContact CB-CE2 4.3Å; L323-Y339 HydrophobicContact CD2-CE2 4.44Å; R337-Y339 HydrophobicContact CG-CE2 4.03Å; Y339-L341 PolarHBondContact O-N 3.23Å; Y339-V346 HydrophobicContact CD1-CG1 3.94Å; Y339-V346 HydrophobicContact CG-CG1 4.44Å; Y339-P348 HydrophobicContact CD1-CB 4.49Å; Y339-P348 HydrophobicContact CD1-CG 4.15Å; Y339-P348 HydrophobicContact CE1-CB 4.23Å; Y339-P348 HydrophobicContact CE1-CG 3.89Å
340K98.4Very high97.3Very high1 Ų130.9 Ų30.90%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-73.3124-176.4-178.7-175.9175.2-158.20109.5S313 E315 Q317 H342 E347 I349S313-K340 PolarHBondContact OG-NZ 3.09Å; E315-K340 PolarHBondContact O-NZ 3.25Å; Q317-K340 HydrophobicContact CB-CD 4.4Å; Q317-K340 HydrophobicContact CB-CG 3.92Å; K340-H342 PolarHBondContact NZ-CE1 3.4Å; K340-H342 VanDerWaalsContact NZ-CE1 3.35Å; K340-E347 HydrophobicContact CB-CB 4.41Å; K340-E347 PolarHBondContact N-O 3.15Å; K340-E347 PolarHBondContact O-N 2.89Å; K340-I349 HydrophobicContact CB-CD1 3.7Å; K340-I349 HydrophobicContact CD-CD1 3.86Å; K340-I349 HydrophobicContact CG-CD1 4.39Å
341L98.3Very high97.4Very high0 Ų030.4 Ų30.40%014%0.138CC..EExtended strand (participates in β ladder)trans-87.6127.9176.1-57.2-174.8000110.2V32 L41 C42 V51 Q317 R318 G319 Y339 V346V32-L341 HydrophobicContact CG1-CB 4.26Å; V32-L341 HydrophobicContact CG1-CD1 3.79Å; V32-L341 HydrophobicContact CG2-CB 4.25Å; V32-L341 HydrophobicContact CG2-CD1 4.42Å; V32-L341 HydrophobicContact CG2-CD2 4.36Å; L41-L341 HydrophobicContact CB-CD1 3.71Å; C42-L341 HydrophobicContact CB-CD1 3.82Å; C42-L341 HydrophobicContact CB-CD2 3.97Å; C42-L341 HydrophobicContact CB-CG 3.98Å; V51-L341 HydrophobicContact CG1-CD1 4.09Å; V51-L341 HydrophobicContact CG1-CD2 3.91Å; V51-L341 HydrophobicContact CG2-CD2 4.06Å; Q317-L341 CarbonylContact C-O 3.56Å; Q317-L341 VanDerWaalsContact CA-O 3.32Å; Q317-L341 WeakPolarHBondContact CA-O 3.45Å; R318-L341 HydrophobicContact CB-CB 4.3Å; R318-L341 PolarHBondContact N-O 2.6Å; G319-L341 WeakPolarHBondContact O-CB 3.37Å; G319-L341 PolarHBondContact O-N 2.94Å; Y339-L341 PolarHBondContact O-N 3.23Å; L341-V346 HydrophobicContact CD2-CB 4.36Å; L341-V346 HydrophobicContact CD2-CG1 4.03Å; L341-V346 HydrophobicContact CD2-CG2 3.77Å
342H97Very high97.6Very high8 Ų825.5 Ų25.54%0.03711%0.112CC..  trans-102-171.3164.6-60.1-86.8000109V32 E315 K340 K345 E347V32-H342 VanDerWaalsContact CG2-O 3.24Å; V32-H342 WeakPolarHBondContact CG2-O 3.33Å; E315-H342 WeakPolarHBondContact CB-ND1 3.4Å; E315-H342 IonicContact OE2-CE1 3.3Å; E315-H342 PolarHBondContact OE2-CE1 3.37Å; E315-H342 IonicContact OE2-CG 2.98Å; E315-H342 IonicContact OE2-ND1 2.85Å; E315-H342 PolarHBondContact OE2-ND1 3.35Å; K340-H342 PolarHBondContact NZ-CE1 3.4Å; K340-H342 VanDerWaalsContact NZ-CE1 3.35Å; H342-K345 HydrophobicContact CB-CB 4.13Å; H342-K345 PolarHBondContact N-O 2.84Å; H342-E347 IonicContact CD2-OE2 2.79Å; H342-E347 IonicContact CE1-OE2 3.94Å; H342-E347 IonicContact NE2-OE2 3.83Å; H342-E347 PolarHBondContact NE2-OE2 3.29Å
343E95.3Very high97.8Very high83 Ų8318.7 Ų18.739%0.3888%0.083SC..SBendtrans-66.7-39.3177.8-175164.3159.100113.1V32 R34 R318V32-E343 PolarHBondContact N-O 2.8Å; R34-E343 IonicContact CZ-OE1 3.5Å; R34-E343 IonicContact NH1-OE1 3.38Å; R34-E343 IonicContact NH2-OE1 2.75Å; R34-E343 PolarHBondContact NH2-OE1 3.34Å; R318-E343 IonicContact CZ-OE2 3.15Å; R318-E343 IonicContact NH2-OE2 3.02Å; R318-E343 PolarHBondContact NH2-OE2 2.87Å
344R96.2Very high97.8Very high162 Ų16221.7 Ų21.761%0.61110%0.103SC*.SBendtrans-131.622.1-178.2-67.9-149.7-71.1-146-1.5114.8D29 V30D29-R344 PolarHBondContact N-O 3.43Å; V30-R344 PolarHBondContact N-O 2.65Å; V30-R344 CarbonylContact O-C 3.54Å; V30-R344 VanDerWaalsContact O-CA 3.23Å; V30-R344 WeakPolarHBondContact O-CA 3.4Å
345K96.8Very high97.7Very high40 Ų4025.6 Ų25.617%0.17412%0.117CC..EExtended strand (participates in β ladder)trans-150.9145.8-173.3170.2-179.7144.8-174.30111.6C26 L27 H342 E347C26-K345 HydrophobicContact CB-CD 4.36Å; C26-K345 HydrophobicContact CB-CG 4.26Å; L27-K345 CarbonylContact O-C 3.53Å; L27-K345 WeakPolarHBondContact O-CA 3.45Å; H342-K345 HydrophobicContact CB-CB 4.13Å; H342-K345 PolarHBondContact N-O 2.84Å; K345-E347 WeakPolarHBondContact CE-OE1 3.43Å; K345-E347 IonicContact NZ-OE1 2.91Å; K345-E347 PolarHBondContact NZ-OE1 2.84Å
346V98.4Very high97.2Very high1 Ų136.1 Ų36.11%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-111.6121.8165.6-171.70000108.2C26 L27 V30 V51 Y339 L341C26-V346 WeakPolarHBondContact CA-O 3.45Å; C26-V346 WeakPolarHBondContact CB-O 3.46Å; L27-V346 HydrophobicContact CB-CB 3.96Å; L27-V346 HydrophobicContact CB-CG2 4.15Å; L27-V346 HydrophobicContact CD1-CB 4.15Å; L27-V346 HydrophobicContact CD1-CG2 4.16Å; L27-V346 HydrophobicContact CG-CB 4.39Å; L27-V346 PolarHBondContact N-O 3.5Å; L27-V346 PolarHBondContact O-N 2.71Å; V30-V346 HydrophobicContact CB-CG2 4.3Å; V30-V346 HydrophobicContact CG1-CG2 4.27Å; V30-V346 HydrophobicContact CG2-CG2 4.2Å; V51-V346 HydrophobicContact CG2-CG2 4.05Å; Y339-V346 HydrophobicContact CD1-CG1 3.94Å; Y339-V346 HydrophobicContact CG-CG1 4.44Å; L341-V346 HydrophobicContact CD2-CB 4.36Å; L341-V346 HydrophobicContact CD2-CG1 4.03Å; L341-V346 HydrophobicContact CD2-CG2 3.77Å
347E98.2Very high96.8Very high21 Ų2138.1 Ų38.110%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-114.3112.6-175.9-174168.5-119.600111A20 K340 H342 K345A20-E347 HydrophobicContact CB-CG 4.4Å; K340-E347 HydrophobicContact CB-CB 4.41Å; K340-E347 PolarHBondContact N-O 3.15Å; K340-E347 PolarHBondContact O-N 2.89Å; H342-E347 IonicContact CD2-OE2 2.79Å; H342-E347 IonicContact CE1-OE2 3.94Å; H342-E347 IonicContact NE2-OE2 3.83Å; H342-E347 PolarHBondContact NE2-OE2 3.29Å; K345-E347 WeakPolarHBondContact CE-OE1 3.43Å; K345-E347 IonicContact NZ-OE1 2.91Å; K345-E347 PolarHBondContact NZ-OE1 2.84Å
348P98.4Very high96.2Very high6 Ų645.1 Ų45.14%0.03922%0.216CC..EExtended strand (participates in β ladder)trans-68.8137.3171.4-18.832.2000111.6W21 F338 Y339W21-P348 HydrophobicContact CB-CB 4.21Å; W21-P348 HydrophobicContact CD2-CB 3.63Å; W21-P348 HydrophobicContact CD2-CG 4.18Å; W21-P348 HydrophobicContact CE3-CB 3.77Å; W21-P348 HydrophobicContact CE3-CG 3.84Å; W21-P348 HydrophobicContact CG-CB 3.79Å; W21-P348 HydrophobicContact CG-CG 4.45Å; W21-P348 HydrophobicContact CZ3-CB 4.45Å; W21-P348 HydrophobicContact CZ3-CG 4.48Å; W21-P348 PolarHBondContact N-O 3.38Å; F338-P348 CarbonylContact O-C 3.58Å; F338-P348 VanDerWaalsContact O-CA 3.27Å; F338-P348 WeakPolarHBondContact O-CA 3.39Å; Y339-P348 HydrophobicContact CD1-CB 4.49Å; Y339-P348 HydrophobicContact CD1-CG 4.15Å; Y339-P348 HydrophobicContact CE1-CB 4.23Å; Y339-P348 HydrophobicContact CE1-CG 3.89Å
349I98.5Very high95.8Very high0 Ų051.4 Ų51.40%025%0.249CC..EExtended strand (participates in β ladder)trans-131.3112.6176.3-55.4164.3000108.2A18 Q19 A20 I293 Y311 R337 F338 K340 M351A18-I349 HydrophobicContact CB-CG2 4.07Å; Q19-I349 WeakPolarHBondContact O-CA 3.34Å; A20-I349 HydrophobicContact CB-CG1 4.33Å; I293-I349 HydrophobicContact CD1-CD1 3.97Å; Y311-I349 HydrophobicContact CD1-CD1 3.96Å; Y311-I349 HydrophobicContact CD2-CG2 4.27Å; Y311-I349 HydrophobicContact CE1-CD1 3.44Å; Y311-I349 VanDerWaalsContact CE1-CD1 3.44Å; Y311-I349 HydrophobicContact CE1-CG1 4.39Å; Y311-I349 HydrophobicContact CE2-CG2 4.3Å; Y311-I349 HydrophobicContact CG-CG2 4.43Å; R337-I349 WeakPolarHBondContact CA-O 3.36Å; F338-I349 HydrophobicContact CB-CB 4.24Å; F338-I349 PolarHBondContact N-O 3.35Å; F338-I349 PolarHBondContact O-N 3.23Å; K340-I349 HydrophobicContact CB-CD1 3.7Å; K340-I349 HydrophobicContact CD-CD1 3.86Å; K340-I349 HydrophobicContact CG-CD1 4.39Å; I349-M351 HydrophobicContact CG2-CE 4.37Å
350S98.3Very high95.6Very high12 Ų1254.7 Ų54.78%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-84133.7176-670000110.8A18 Q19 W21 E334A18-S350 CarbonylContact C-O 3.45Å; A18-S350 VanDerWaalsContact CA-O 3.31Å; A18-S350 WeakPolarHBondContact CA-O 3.45Å; Q19-S350 PolarHBondContact N-O 3.33Å; Q19-S350 PolarHBondContact O-N 3.29Å; W21-S350 PolarHBondContact NE1-OG 3.28Å; E334-S350 WeakPolarHBondContact OE1-CB 3.33Å; E334-S350 PolarHBondContact OE1-OG 3.05Å
351M98.4Very high95.5Very high0 Ų055.7 Ų55.70%027%0.268CS..EExtended strand (participates in β ladder)trans-102.7113.8169.8-57.9-73.1179.300107.8V16 F17 A18 Y284 I293 Y295 E334 I335 A336 F338 I349V16-M351 HydrophobicContact CG1-CB 4.28Å; F17-M351 WeakPolarHBondContact O-CA 3.33Å; A18-M351 HydrophobicContact CB-CE 3.94Å; A18-M351 HydrophobicContact CB-SD 3.43Å; A18-M351 WeakPolarHBondContact CB-SD 3.3Å; Y284-M351 HydrophobicContact CD1-CE 4.29Å; Y284-M351 HydrophobicContact CE1-CB 4.44Å; Y284-M351 HydrophobicContact CE1-CE 4.45Å; Y284-M351 HydrophobicContact CE1-CG 3.9Å; Y284-M351 HydrophobicContact CE1-SD 4.22Å; I293-M351 HydrophobicContact CB-CE 4.37Å; I293-M351 HydrophobicContact CD1-CE 4.37Å; I293-M351 HydrophobicContact CG2-CE 4.03Å; Y295-M351 HydrophobicContact CD1-CE 4.38Å; Y295-M351 HydrophobicContact CD1-SD 4.34Å; Y295-M351 HydrophobicContact CE1-CE 4.4Å; Y295-M351 HydrophobicContact CE1-SD 4.11Å; E334-M351 WeakPolarHBondContact CA-O 3.35Å; I335-M351 HydrophobicContact CG1-CB 4.28Å; I335-M351 VanDerWaalsContact CG1-O 3.29Å; I335-M351 WeakPolarHBondContact CG1-O 3.34Å; I335-M351 PolarHBondContact N-O 2.99Å; A336-M351 HydrophobicContact CB-CB 4.05Å; A336-M351 HydrophobicContact CB-CG 4.14Å; A336-M351 WeakPolarHBondContact O-CB 3.14Å; A336-M351 PolarHBondContact O-N 3.11Å; F338-M351 HydrophobicContact CD2-CE 3.62Å; F338-M351 HydrophobicContact CD2-CG 4.26Å; F338-M351 HydrophobicContact CE2-CE 3.82Å; F338-M351 HydrophobicContact CE2-CG 4.38Å; I349-M351 HydrophobicContact CG2-CE 4.37Å
352T98.3Very high95.2Very high19 Ų1957.7 Ų57.712%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-121.5134.9-168.9-60.30000111.4V16 F17 K332 C333V16-T352 WeakPolarHBondContact CA-O 3.29Å; F17-T352 WeakPolarHBondContact CD1-O 3.45Å; F17-T352 HydrophobicContact CE1-CG2 3.89Å; F17-T352 HydrophobicContact CZ-CG2 3.88Å; F17-T352 PolarHBondContact N-O 2.76Å; F17-T352 VanDerWaalsContact N-O 3.08Å; F17-T352 PolarHBondContact O-N 3.08Å; K332-T352 VanDerWaalsContact O-CG2 3.28Å; K332-T352 WeakPolarHBondContact O-CG2 3.3Å; C333-T352 HydrophobicContact CB-CG2 4.43Å; C333-T352 WeakPolarHBondContact O-CA 3.45Å
353V98Very high95.1Very high4 Ų460.7 Ų60.72%0.02431%0.305CS..  trans-87.3117.9167.1-178.50000108F13 V16 C333 I335 R355 L364F13-V353 HydrophobicContact CD1-CG2 3.94Å; F13-V353 HydrophobicContact CE1-CG2 4.3Å; V16-V353 HydrophobicContact CG2-CG2 3.68Å; C333-V353 WeakPolarHBondContact CB-O 3.4Å; C333-V353 PolarHBondContact O-N 3.3Å; I335-V353 HydrophobicContact CD1-CG2 3.88Å; I335-V353 HydrophobicContact CG1-CG2 4.21Å; I335-V353 HydrophobicContact CG2-CG2 3.68Å; V353-R355 HydrophobicContact CG1-CG 4.24Å; V353-R355 PolarHBondContact O-N 2.94Å; V353-L364 HydrophobicContact CB-CD1 3.78Å; V353-L364 HydrophobicContact CB-CD2 4.46Å; V353-L364 HydrophobicContact CG1-CD1 3.96Å; V353-L364 HydrophobicContact CG1-CD2 4.2Å; V353-L364 HydrophobicContact CG2-CD1 4.12Å; V353-L364 HydrophobicContact CG2-CD2 4.16Å
354P96.6Very high95.1Very high71 Ų7156.8 Ų56.846%0.46129%0.286SS..  trans-71.899.6-177.727.6-32.8000110.8H15 F17H15-P354 HydrophobicContact CB-CG 3.83Å; H15-P354 WeakPolarHBondContact O-CD 3.35Å; H15-P354 WeakPolarHBondContact O-CG 3.48Å; F17-P354 HydrophobicContact CD1-CB 4.46Å; F17-P354 HydrophobicContact CD1-CG 4.39Å; F17-P354 HydrophobicContact CE1-CB 4.05Å; F17-P354 HydrophobicContact CE1-CG 4.45Å
355R94.5Very high95.2Very high85 Ų8549.2 Ų49.232%0.32126%0.258SS..  trans-112.3147.6170.8-65.6-71.5-179.8101.4-2.4110.1V353 Q361 D363 L364V353-R355 HydrophobicContact CG1-CG 4.24Å; V353-R355 PolarHBondContact O-N 2.94Å; R355-Q361 HydrophobicContact CB-CG 4.49Å; R355-Q361 HydrophobicContact CG-CG 4.24Å; R355-D363 IonicContact CZ-OD1 3.2Å; R355-D363 IonicContact CZ-OD2 3.81Å; R355-D363 IonicContact NH1-OD1 3.39Å; R355-D363 PolarHBondContact NH1-OD1 2.79Å; R355-D363 IonicContact NH1-OD2 2.72Å; R355-D363 PolarHBondContact NH1-OD2 2.93Å; R355-D363 IonicContact NH2-OD1 3.18Å; R355-D363 IonicContact NH2-OD2 3.51Å; R355-D363 PolarHBondContact NH2-OD2 2.87Å; R355-L364 HydrophobicContact CG-CD1 4.16Å
356K88.9Confident95.2Very high221 Ų22149.8 Ų49.896%0.96127%0.266SS*.  trans-106.361.5175.2-64.8-176.3-179.9-178.90109.5
357S89.1Confident95.1Very high42 Ų4253.8 Ų53.829%0.29429%0.287SS..  trans-152.1136.2-179.3-172.70000109.9L359 Q361S357-L359 VanDerWaalsContact C-N 3.28Å; S357-L359 WeakPolarHBondContact OG-CB 3.44Å; S357-L359 PolarHBondContact OG-N 3.19Å; S357-Q361 PolarHBondContact OG-NE2 2.82Å
358D85Confident95Very high169 Ų16953.2 Ų53.290%0.90429%0.285SS*.SBendtrans-88.1-2.3172.2-54.3-44.2000111.7
359L91.8Very high94.9Very high133 Ų13355 Ų5570%0.69630%0.301SS*.SBendtrans-80.3149.5175.8-59.5176.8000110.4S357 Q361S357-L359 VanDerWaalsContact C-N 3.28Å; S357-L359 WeakPolarHBondContact OG-CB 3.44Å; S357-L359 PolarHBondContact OG-N 3.19Å; L359-Q361 PolarHBondContact O-N 2.79Å; L359-Q361 PolarHBondContact O-NE2 3.43Å
360F93.9Very high94.7Very high71 Ų7155.5 Ų55.531%0.31131%0.305SS..  trans-57.3125.9172.8178.4-107.8000111.2V330 G362 Y365 L393V330-F360 HydrophobicContact CB-CE2 4.34Å; F360-G362 PolarHBondContact O-N 3.39Å; F360-Y365 HydrophobicContact CD2-CD2 4.43Å; F360-Y365 AromaticContact CE2-CD2 3.84Å; F360-Y365 HydrophobicContact CE2-CD2 3.84Å; F360-Y365 HydrophobicContact CE2-CG 4.13Å; F360-Y365 HydrophobicContact CZ-CD2 4.27Å; F360-Y365 HydrophobicContact CZ-CG 4.31Å; F360-L393 HydrophobicContact CE2-CB 4.37Å; F360-L393 WeakPolarHBondContact CE2-O 3.49Å; F360-L393 HydrophobicContact CZ-CB 4.47Å
361Q95.2Very high94.5Very high22 Ų2256.4 Ų56.410%0.10331%0.309CS..  trans-90.377.2-178-57.9-61.7-7300110.4R355 S357 L359 D363 L364 Y365R355-Q361 HydrophobicContact CB-CG 4.49Å; R355-Q361 HydrophobicContact CG-CG 4.24Å; S357-Q361 PolarHBondContact OG-NE2 2.82Å; L359-Q361 PolarHBondContact O-N 2.79Å; L359-Q361 PolarHBondContact O-NE2 3.43Å; Q361-D363 PolarHBondContact O-N 3.07Å; Q361-L364 HydrophobicContact CB-CB 4.18Å; Q361-L364 HydrophobicContact CB-CD1 3.88Å; Q361-L364 HydrophobicContact CB-CG 3.96Å; Q361-L364 HydrophobicContact CG-CD1 4.25Å; Q361-L364 PolarHBondContact O-N 3.11Å; Q361-Y365 HydrophobicContact CB-CD2 4.37Å; Q361-Y365 HydrophobicContact CB-CE2 4.36Å; Q361-Y365 VanDerWaalsContact O-CD2 3.28Å; Q361-Y365 WeakPolarHBondContact O-CD2 3.43Å; Q361-Y365 PolarHBondContact O-N 2.82Å
362G93.1Very high94.3Very high42 Ų4263 Ų6343%0.43334%0.34SS..THydrogen-bonded Turntrans-57.9-22.8-177.600000114.4F360 L364 Y365F360-G362 PolarHBondContact O-N 3.39Å; G362-L364 VanDerWaalsContact C-N 3.33Å; G362-Y365 CarbonylContact O-C 3.6Å
363D94.6Very high94.2Very high70 Ų7063.5 Ų63.537%0.37434%0.343SS..THydrogen-bonded Turntrans-72.4-24.2174.276.3-69.3000113.4K12 R355 Q361K12-D363 PolarHBondContact NZ-O 3.41Å; R355-D363 IonicContact CZ-OD1 3.2Å; R355-D363 IonicContact CZ-OD2 3.81Å; R355-D363 IonicContact NH1-OD1 3.39Å; R355-D363 PolarHBondContact NH1-OD1 2.79Å; R355-D363 IonicContact NH1-OD2 2.72Å; R355-D363 PolarHBondContact NH1-OD2 2.93Å; R355-D363 IonicContact NH2-OD1 3.18Å; R355-D363 IonicContact NH2-OD2 3.51Å; R355-D363 PolarHBondContact NH2-OD2 2.87Å; Q361-D363 PolarHBondContact O-N 3.07Å
364L95.8Very high94.2Very high1 Ų164.5 Ų64.51%0.00535%0.352CS..THydrogen-bonded Turntrans-89.9-21.7176.1-59.8-176000112.8K12 F13 C333 V353 R355 Q361 G362K12-L364 HydrophobicContact CD-CD2 4.16Å; K12-L364 HydrophobicContact CG-CD2 4.49Å; F13-L364 HydrophobicContact CE1-CD2 4.01Å; C333-L364 HydrophobicContact CB-CD1 4.3Å; V353-L364 HydrophobicContact CB-CD1 3.78Å; V353-L364 HydrophobicContact CB-CD2 4.46Å; V353-L364 HydrophobicContact CG1-CD1 3.96Å; V353-L364 HydrophobicContact CG1-CD2 4.2Å; V353-L364 HydrophobicContact CG2-CD1 4.12Å; V353-L364 HydrophobicContact CG2-CD2 4.16Å; R355-L364 HydrophobicContact CG-CD1 4.16Å; Q361-L364 HydrophobicContact CB-CB 4.18Å; Q361-L364 HydrophobicContact CB-CD1 3.88Å; Q361-L364 HydrophobicContact CB-CG 3.96Å; Q361-L364 HydrophobicContact CG-CD1 4.25Å; Q361-L364 PolarHBondContact O-N 3.11Å; G362-L364 VanDerWaalsContact C-N 3.33Å
365Y96.8Very high94.2Very high3 Ų361.6 Ų61.61%0.01233%0.333CS..  trans-128.571.9-173-55.5-67.4000109.8V328 V330 C333 E334 I335 F360 Q361 G362 L393V328-Y365 HydrophobicContact CG2-CE1 4.02Å; V330-Y365 HydrophobicContact CB-CD2 4.27Å; V330-Y365 HydrophobicContact CB-CE1 4.39Å; V330-Y365 HydrophobicContact CB-CE2 3.96Å; V330-Y365 HydrophobicContact CG1-CD1 3.96Å; V330-Y365 HydrophobicContact CG1-CD2 4.33Å; V330-Y365 HydrophobicContact CG1-CE1 3.84Å; V330-Y365 HydrophobicContact CG1-CE2 4.23Å; V330-Y365 HydrophobicContact CG1-CG 4.21Å; C333-Y365 WeakPolarHBondContact CA-OH 3.25Å; E334-Y365 VanDerWaalsContact C-OH 3.28Å; E334-Y365 PolarHBondContact N-OH 2.83Å; E334-Y365 VanDerWaalsContact N-OH 3.13Å; E334-Y365 WeakPolarHBondContact O-CE1 3.4Å; E334-Y365 PolarHBondContact O-OH 2.91Å; I335-Y365 HydrophobicContact CG2-CE1 4.44Å; F360-Y365 HydrophobicContact CD2-CD2 4.43Å; F360-Y365 AromaticContact CE2-CD2 3.84Å; F360-Y365 HydrophobicContact CE2-CD2 3.84Å; F360-Y365 HydrophobicContact CE2-CG 4.13Å; F360-Y365 HydrophobicContact CZ-CD2 4.27Å; F360-Y365 HydrophobicContact CZ-CG 4.31Å; Q361-Y365 HydrophobicContact CB-CD2 4.37Å; Q361-Y365 HydrophobicContact CB-CE2 4.36Å; Q361-Y365 VanDerWaalsContact O-CD2 3.28Å; Q361-Y365 WeakPolarHBondContact O-CD2 3.43Å; Q361-Y365 PolarHBondContact O-N 2.82Å; G362-Y365 CarbonylContact O-C 3.6Å; Y365-L393 HydrophobicContact CD1-CD1 4.43Å
366P96.8Very high94.3Very high52 Ų5259.5 Ų59.534%0.33833%0.327SS..  trans-60.7165.2165.431.3-35.5000109.7D279 T368D279-P366 HydrophobicContact CB-CG 3.9Å; D279-P366 WeakPolarHBondContact O-CG 3.19Å; P366-T368 PolarHBondContact O-N 3.21Å
367D96.9Very high94.6Very high86 Ų8649.4 Ų49.446%0.4629%0.285SS..  trans-58.1130.4175.6-62.5-22.3000109.8L390 I391 S392D367-L390 HydrophobicContact CB-CB 3.82Å; D367-L390 HydrophobicContact CB-CD1 4.33Å; D367-I391 CarbonylContact C-O 3.5Å; D367-I391 WeakPolarHBondContact CA-O 3.16Å; D367-S392 VanDerWaalsContact OD1-CA 3.3Å; D367-S392 WeakPolarHBondContact OD1-CA 3.41Å; D367-S392 VanDerWaalsContact OD1-CB 3.29Å; D367-S392 WeakPolarHBondContact OD1-CB 3.38Å; D367-S392 PolarHBondContact OD1-OG 3.43Å
368T96.9Very high94.9Very high8 Ų852.1 Ų52.15%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-114.9163.1-170.6-168.30000110.5D279 K325 P366 G370 L390 I391 L393D279-T368 PolarHBondContact OD1-OG1 2.84Å; D279-T368 WeakPolarHBondContact OD2-CB 3.16Å; D279-T368 PolarHBondContact OD2-OG1 2.87Å; K325-T368 HydrophobicContact CB-CG2 4.21Å; K325-T368 WeakPolarHBondContact CB-OG1 3.3Å; K325-T368 HydrophobicContact CG-CG2 4.35Å; P366-T368 PolarHBondContact O-N 3.21Å; T368-G370 PolarHBondContact O-N 2.91Å; T368-L390 CarbonylContact O-C 3.49Å; T368-L390 VanDerWaalsContact O-CA 3.25Å; T368-L390 WeakPolarHBondContact O-CA 3.48Å; T368-I391 HydrophobicContact CG2-CG1 4.23Å; T368-I391 PolarHBondContact N-O 3.43Å; T368-I391 PolarHBondContact O-N 3.05Å; T368-L393 HydrophobicContact CG2-CD1 3.97Å; T368-L393 HydrophobicContact CG2-CD2 3.9Å; T368-L393 HydrophobicContact CG2-CG 3.84Å
369A95.9Very high95.5Very high45 Ų4547.4 Ų47.437%0.37227%0.269SS..EExtended strand (participates in β ladder)trans-59.8126.317800000111.8P388A369-P388 HydrophobicContact CB-CB 3.93Å
370G94.6Very high95.8Very high9 Ų941.1 Ų41.19%0.09324%0.236CC..  trans-82.4-172.5177.500000113.9T368 L389T368-G370 PolarHBondContact O-N 2.91Å; G370-L389 PolarHBondContact N-O 3.09Å
371L93.9Very high96Very high31 Ų3140.2 Ų40.216%0.16223%0.234CC..SBendtrans-80-23.1170.6-75.8177000112.6P93 H94 R326 P373 Y397 P400P93-L371 WeakPolarHBondContact O-CD2 3.33Å; H94-L371 WeakPolarHBondContact CA-O 3.44Å; H94-L371 VanDerWaalsContact CB-O 3.24Å; H94-L371 WeakPolarHBondContact CB-O 3.43Å; R326-L371 VanDerWaalsContact CZ-CD2 3.45Å; R326-L371 VanDerWaalsContact NH2-CD2 3.3Å; L371-P373 WeakPolarHBondContact O-CD 3.33Å; L371-Y397 WeakPolarHBondContact CD1-OH 3.32Å; L371-P400 HydrophobicContact CD1-CG 3.48Å; L371-P400 VanDerWaalsContact CD1-CG 3.48Å
372E94.3Very high96Very high140 Ų14043 Ų4365%0.65426%0.261SS*.SBendtrans-74.8121.1-175.6-164173179.300109.8L389E372-L389 HydrophobicContact CB-CD1 3.91Å; E372-L389 HydrophobicContact CG-CD1 3.7Å
373P95.9Very high96.2Very high28 Ų2843 Ų4318%0.18226%0.261CS..  trans-67.6142.5175.230.8-35.2000109.3C144 F146 L371 L375C144-P373 CarbonylContact O-C 3.5Å; C144-P373 WeakPolarHBondContact O-CA 3.15Å; C144-P373 WeakPolarHBondContact O-CB 3.3Å; F146-P373 HydrophobicContact CB-CB 3.8Å; F146-P373 HydrophobicContact CB-CG 3.71Å; F146-P373 HydrophobicContact CD2-CB 4.31Å; F146-P373 HydrophobicContact CD2-CG 3.79Å; F146-P373 HydrophobicContact CG-CB 4.48Å; F146-P373 HydrophobicContact CG-CG 3.99Å; L371-P373 WeakPolarHBondContact O-CD 3.33Å; P373-L375 VanDerWaalsContact C-N 3.32Å
374A97Very high96.3Very high25 Ų2544.2 Ų44.221%0.20727%0.265CS..SBendtrans-76.2-24.2176.600000112.6C144 A386 A387 L389C144-A374 HydrophobicContact CB-CB 4.19Å; C144-A374 PolarHBondContact O-N 2.67Å; A374-A386 HydrophobicContact CB-CB 3.77Å; A374-A387 WeakPolarHBondContact CB-O 3.31Å; A374-L389 HydrophobicContact CB-CD2 4.42Å; A374-L389 HydrophobicContact CB-CG 4.05Å
375L97.1Very high96.4Very high11 Ų1148 Ų486%0.05829%0.285CS..BIsolated β-bridgetrans-135.2150.7-179.2-64.5172.7000110.9C144 A145 F146 P373 E379 W380 Q384 A386C144-L375 PolarHBondContact O-N 3.13Å; A145-L375 CarbonylContact C-O 3.43Å; A145-L375 WeakPolarHBondContact CA-O 3.2Å; A145-L375 HydrophobicContact CB-CB 4.36Å; F146-L375 PolarHBondContact N-O 2.92Å; P373-L375 VanDerWaalsContact C-N 3.32Å; L375-E379 HydrophobicContact CB-CB 4.43Å; L375-E379 HydrophobicContact CD2-CB 4.19Å; L375-W380 HydrophobicContact CB-CB 4.49Å; L375-W380 HydrophobicContact CD1-CB 4.16Å; L375-Q384 HydrophobicContact CD1-CB 4.24Å; L375-Q384 WeakPolarHBondContact CD1-O 3.38Å; L375-Q384 HydrophobicContact CD2-CB 4.13Å; L375-A386 HydrophobicContact CD1-CB 3.94Å; L375-A386 HydrophobicContact CD2-CB 3.92Å; L375-A386 HydrophobicContact CG-CB 3.72Å
376L96.4Very high96.4Very high40 Ų4049.2 Ų49.221%0.20930%0.295CS..  trans-76.3160.4160.7-55.6-176.3000110.7D378 E379 W380 P412L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 3.47Å; L376-E379 HydrophobicContact CB-CG 4.22Å; L376-E379 PolarHBondContact N-OE2 3.43Å; L376-E379 PolarHBondContact O-N 3.04Å; L376-W380 PolarHBondContact O-N 2.74Å; L376-W380 VanDerWaalsContact O-N 3.15Å; L376-P412 HydrophobicContact CD2-CG 3.46Å; L376-P412 VanDerWaalsContact CD2-CG 3.46Å
377A95.4Very high96.3Very high9 Ų949.8 Ų49.87%0.07431%0.305CS..Hα-helixtrans-51.1-53.8174.700000111.2I148 N162 E379 W380 I381I148-A377 HydrophobicContact CD1-CB 3.74Å; I148-A377 HydrophobicContact CG1-CB 4.27Å; N162-A377 WeakPolarHBondContact ND2-CB 3.4Å; A377-E379 VanDerWaalsContact C-N 3.27Å; A377-E379 PolarHBondContact O-N 3.47Å; A377-W380 PolarHBondContact O-N 2.86Å; A377-I381 HydrophobicContact CB-CD1 4.4Å; A377-I381 WeakPolarHBondContact O-CB 3.24Å; A377-I381 WeakPolarHBondContact O-CD1 3.43Å; A377-I381 WeakPolarHBondContact O-CG1 3.37Å; A377-I381 PolarHBondContact O-N 2.91Å
378D95.9Very high96.3Very high100 Ų10046.7 Ų46.754%0.53529%0.289SS..Hα-helixtrans-60.9-33.8-176.6-57.7-18000113L376 A382L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 3.47Å; D378-A382 VanDerWaalsContact O-CB 3.24Å; D378-A382 WeakPolarHBondContact O-CB 3.45Å; D378-A382 PolarHBondContact O-N 2.86Å
379E97.4Very high96.3Very high70 Ų7049.8 Ų49.833%0.32731%0.305SS..Hα-helixtrans-69.8-44.4178.8-67171.4153.400111.1L375 L376 A377 A382 G383 Q384L375-E379 HydrophobicContact CB-CB 4.43Å; L375-E379 HydrophobicContact CD2-CB 4.19Å; L376-E379 HydrophobicContact CB-CG 4.22Å; L376-E379 PolarHBondContact N-OE2 3.43Å; L376-E379 PolarHBondContact O-N 3.04Å; A377-E379 VanDerWaalsContact C-N 3.27Å; A377-E379 PolarHBondContact O-N 3.47Å; E379-A382 PolarHBondContact O-N 3.43Å; E379-G383 PolarHBondContact O-N 3.16Å; E379-Q384 VanDerWaalsContact O-CB 3.27Å; E379-Q384 WeakPolarHBondContact O-CB 3.34Å; E379-Q384 WeakPolarHBondContact O-CG 3.5Å; E379-Q384 PolarHBondContact O-N 2.93Å
380W97.9Very high96.3Very high0 Ų052.2 Ų52.20%031%0.311CS..Hα-helixtrans-66.8-40.5175.8177.376.5000112.1H142 A145 I148 V160 Y170 W185 G189 P206 R207 L375 L376 A377 A382 G383H142-W380 AromaticContact CD2-CE2 3.66Å; H142-W380 AromaticContact CD2-CZ2 3.84Å; H142-W380 AromaticContact CD2-NE1 3.84Å; H142-W380 AromaticContact CE1-NE1 3.95Å; H142-W380 AromaticContact NE2-CD1 3.47Å; H142-W380 AromaticContact NE2-CD2 3.89Å; H142-W380 AromaticContact NE2-CE2 3.33Å; H142-W380 VanDerWaalsContact NE2-CE2 3.33Å; H142-W380 AromaticContact NE2-CG 3.97Å; H142-W380 AromaticContact NE2-CZ2 3.87Å; H142-W380 AromaticContact NE2-NE1 3Å; H142-W380 PolarHBondContact NE2-NE1 3.36Å; A145-W380 HydrophobicContact CB-CB 3.63Å; A145-W380 HydrophobicContact CB-CD2 4.34Å; A145-W380 HydrophobicContact CB-CG 3.81Å; I148-W380 HydrophobicContact CD1-CE3 3.96Å; I148-W380 HydrophobicContact CD1-CZ3 4.16Å; I148-W380 HydrophobicContact CG1-CE3 3.79Å; I148-W380 HydrophobicContact CG1-CZ3 4.18Å; I148-W380 HydrophobicContact CG2-CE3 4.09Å; I148-W380 HydrophobicContact CG2-CH2 4.12Å; I148-W380 HydrophobicContact CG2-CZ3 3.7Å; V160-W380 HydrophobicContact CG1-CH2 3.91Å; V160-W380 HydrophobicContact CG1-CZ3 3.91Å; Y170-W380 HydrophobicContact CD2-CH2 4.06Å; Y170-W380 HydrophobicContact CD2-CZ3 4.02Å; Y170-W380 HydrophobicContact CE2-CE3 4.44Å; Y170-W380 AromaticContact CE2-CH2 3.9Å; Y170-W380 HydrophobicContact CE2-CH2 3.9Å; Y170-W380 AromaticContact CE2-CZ3 3.62Å; Y170-W380 HydrophobicContact CE2-CZ3 3.62Å; W185-W380 AromaticContact CH2-CH2 3.84Å; W185-W380 HydrophobicContact CH2-CH2 3.84Å; W185-W380 AromaticContact CH2-CZ2 3.58Å; W185-W380 HydrophobicContact CH2-CZ2 3.58Å; W185-W380 AromaticContact CZ3-CZ2 3.88Å; W185-W380 HydrophobicContact CZ3-CZ2 3.88Å; G189-W380 PolarHBondContact O-NE1 2.81Å; G189-W380 VanDerWaalsContact O-NE1 3.15Å; P206-W380 HydrophobicContact CG-CH2 4.33Å; P206-W380 HydrophobicContact CG-CZ2 4.14Å; R207-W380 VanDerWaalsContact CD-O 3.25Å; R207-W380 WeakPolarHBondContact CD-O 3.33Å; R207-W380 HydrophobicContact CG-CH2 3.85Å; R207-W380 HydrophobicContact CG-CZ2 3.68Å; R207-W380 HydrophobicContact CG-CZ3 4.39Å; R207-W380 PolarHBondContact NH1-O 2.96Å; L375-W380 HydrophobicContact CB-CB 4.49Å; L375-W380 HydrophobicContact CD1-CB 4.16Å; L376-W380 PolarHBondContact O-N 2.74Å; L376-W380 VanDerWaalsContact O-N 3.15Å; A377-W380 PolarHBondContact O-N 2.86Å; W380-A382 VanDerWaalsContact C-N 3.26Å; W380-A382 PolarHBondContact O-N 2.72Å; W380-G383 WeakPolarHBondContact O-CA 3.48Å; W380-G383 PolarHBondContact O-N 2.95Å
381I97.1Very high96.4Very high52 Ų5254.6 Ų54.627%0.26732%0.321SS..Hα-helixtrans-62.2-36.5175.1-66.6170.4000110.8I148 V169 Y170 A377 G383I148-I381 HydrophobicContact CD1-CD1 4.26Å; I148-I381 HydrophobicContact CD1-CG1 4.45Å; V169-I381 HydrophobicContact CB-CD1 4.42Å; V169-I381 HydrophobicContact CG1-CD1 3.6Å; V169-I381 HydrophobicContact CG1-CG1 3.7Å; V169-I381 HydrophobicContact CG1-CG2 4.06Å; V169-I381 HydrophobicContact CG2-CD1 3.9Å; Y170-I381 HydrophobicContact CE2-CG1 4.45Å; Y170-I381 WeakPolarHBondContact OH-CA 3.48Å; Y170-I381 PolarHBondContact OH-O 3.37Å; A377-I381 HydrophobicContact CB-CD1 4.4Å; A377-I381 WeakPolarHBondContact O-CB 3.24Å; A377-I381 WeakPolarHBondContact O-CD1 3.43Å; A377-I381 WeakPolarHBondContact O-CG1 3.37Å; A377-I381 PolarHBondContact O-N 2.91Å; I381-G383 PolarHBondContact O-N 3.1Å
382A96.9Very high96.5Very high82 Ų8255.9 Ų55.968%0.67833%0.333SS*.THydrogen-bonded Turntrans-70.7-2.317300000113.8D378 E379 W380D378-A382 VanDerWaalsContact O-CB 3.24Å; D378-A382 WeakPolarHBondContact O-CB 3.45Å; D378-A382 PolarHBondContact O-N 2.86Å; E379-A382 PolarHBondContact O-N 3.43Å; W380-A382 VanDerWaalsContact C-N 3.26Å; W380-A382 PolarHBondContact O-N 2.72Å
383G96.4Very high96.5Very high42 Ų4249.4 Ų49.443%0.43330%0.303SS..THydrogen-bonded Turntrans97.513174.800000114.9R207 E379 W380 I381R207-G383 PolarHBondContact NH1-O 2.87Å; E379-G383 PolarHBondContact O-N 3.16Å; W380-G383 WeakPolarHBondContact O-CA 3.48Å; W380-G383 PolarHBondContact O-N 2.95Å; I381-G383 PolarHBondContact O-N 3.1Å
384Q97.8Very high96.2Very high95 Ų9551.4 Ų51.444%0.44432%0.318SS..  trans-76.9144.7174.4-59-177.131.900111.3R207 L375 E379R207-Q384 PolarHBondContact NH1-O 3.21Å; R207-Q384 VanDerWaalsContact NH1-O 3.1Å; L375-Q384 HydrophobicContact CD1-CB 4.24Å; L375-Q384 WeakPolarHBondContact CD1-O 3.38Å; L375-Q384 HydrophobicContact CD2-CB 4.13Å; E379-Q384 VanDerWaalsContact O-CB 3.27Å; E379-Q384 WeakPolarHBondContact O-CB 3.34Å; E379-Q384 WeakPolarHBondContact O-CG 3.5Å; E379-Q384 PolarHBondContact O-N 2.93Å
385D96.8Very high95.5Very high80 Ų8054 Ų5443%0.42835%0.347SS..  trans-123.2135.7174.9-66.3-36.7000109.2S190 R207S190-D385 WeakPolarHBondContact CB-OD1 3.39Å; R207-D385 IonicContact CZ-OD1 3.79Å; R207-D385 IonicContact NH1-OD1 3.28Å; R207-D385 PolarHBondContact NH1-OD1 3.05Å; R207-D385 IonicContact NH1-OD2 3.77Å; R207-D385 IonicContact NH2-OD1 3.04Å; R207-D385 PolarHBondContact NH2-OD1 2.74Å; R207-D385 IonicContact NH2-OD2 3.84Å; R207-D385 PolarHBondContact NH2-OD2 2.75Å
386A96.6Very high94.7Very high28 Ų2855.1 Ų55.123%0.23136%0.36CS..  trans-145.7143.9176.400000110.9C144 A374 L375C144-A386 WeakPolarHBondContact CB-O 3.44Å; C144-A386 PolarHBondContact SG-O 3.4Å; A374-A386 HydrophobicContact CB-CB 3.77Å; L375-A386 HydrophobicContact CD1-CB 3.94Å; L375-A386 HydrophobicContact CD2-CB 3.92Å; L375-A386 HydrophobicContact CG-CB 3.72Å
387A95.4Very high94.1Very high65 Ų6556 Ų5654%0.53736%0.362SS..PPolyproline II helixtrans-70.4154171.900000110.7A374A374-A387 WeakPolarHBondContact CB-O 3.31Å
388P96.4Very high93.4Very high21 Ų2160 Ų6014%0.13639%0.394CS..PPolyproline II helixtrans-56.7140.9176.3-20.529.2000111.7C144 K187 A369 L390C144-P388 WeakPolarHBondContact SG-CD 3.4Å; C144-P388 VanDerWaalsContact SG-CG 3.56Å; K187-P388 HydrophobicContact CG-CG 4.34Å; K187-P388 WeakPolarHBondContact O-CG 3.48Å; A369-P388 HydrophobicContact CB-CB 3.93Å; P388-L390 HydrophobicContact CB-CD2 4.46Å; P388-L390 PolarHBondContact O-N 3.11Å
389L96.4Very high92.6Very high73 Ų7357 Ų5738%0.38238%0.383SS..PPolyproline II helixtrans-70124.5171.7-61.7178.6000109.1G370 E372 A374G370-L389 PolarHBondContact N-O 3.09Å; E372-L389 HydrophobicContact CB-CD1 3.91Å; E372-L389 HydrophobicContact CG-CD1 3.7Å; A374-L389 HydrophobicContact CB-CD2 4.42Å; A374-L389 HydrophobicContact CB-CG 4.05Å
390L96.8Very high91.7Very high95 Ų9556.5 Ų56.550%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-95.8144.2-173.5-52.4-177.9000111.3D367 T368 P388D367-L390 HydrophobicContact CB-CB 3.82Å; D367-L390 HydrophobicContact CB-CD1 4.33Å; T368-L390 CarbonylContact O-C 3.49Å; T368-L390 VanDerWaalsContact O-CA 3.25Å; T368-L390 WeakPolarHBondContact O-CA 3.48Å; P388-L390 HydrophobicContact CB-CD2 4.46Å; P388-L390 PolarHBondContact O-N 3.11Å
391I95.9Very high90.6Very high60 Ų6061.5 Ų61.531%0.30842%0.419SS..EExtended strand (participates in β ladder)trans-125.1147.4174.262.8170.4000109.9R326 D367 T368 Y397R326-I391 HydrophobicContact CG-CD1 4.32Å; D367-I391 CarbonylContact C-O 3.5Å; D367-I391 WeakPolarHBondContact CA-O 3.16Å; T368-I391 HydrophobicContact CG2-CG1 4.23Å; T368-I391 PolarHBondContact N-O 3.43Å; T368-I391 PolarHBondContact O-N 3.05Å; I391-Y397 HydrophobicContact CD1-CD2 4.2Å; I391-Y397 HydrophobicContact CD1-CE2 4.19Å
392S96.3Very high89.2Confident58 Ų5860.1 Ų60.141%0.40641%0.413SS..  trans-81.6140.4171.5-159.80000110.8D367 S394D367-S392 VanDerWaalsContact OD1-CA 3.3Å; D367-S392 WeakPolarHBondContact OD1-CA 3.41Å; D367-S392 VanDerWaalsContact OD1-CB 3.29Å; D367-S392 WeakPolarHBondContact OD1-CB 3.38Å; D367-S392 PolarHBondContact OD1-OG 3.43Å; S392-S394 VanDerWaalsContact C-N 3.29Å; S392-S394 PolarHBondContact OG-N 2.89Å; S392-S394 PolarHBondContact OG-OG 3.28Å
393L95.1Very high87.3Confident3 Ų364.4 Ų64.42%0.01642%0.417CS..  trans-90.88.4171.8-60.1-178.9000112.7K325 V330 F360 Y365 T368 G395 G396K325-L393 HydrophobicContact CG-CD1 3.75Å; V330-L393 HydrophobicContact CG1-CB 4.1Å; V330-L393 HydrophobicContact CG1-CD1 4.19Å; F360-L393 HydrophobicContact CE2-CB 4.37Å; F360-L393 WeakPolarHBondContact CE2-O 3.49Å; F360-L393 HydrophobicContact CZ-CB 4.47Å; Y365-L393 HydrophobicContact CD1-CD1 4.43Å; T368-L393 HydrophobicContact CG2-CD1 3.97Å; T368-L393 HydrophobicContact CG2-CD2 3.9Å; T368-L393 HydrophobicContact CG2-CG 3.84Å; L393-G395 PolarHBondContact O-N 2.91Å; L393-G396 PolarHBondContact O-N 2.87Å
394S89.7Confident84.9Confident71 Ų7170.1 Ų70.150%0.49743%0.432SS..THydrogen-bonded Turntrans-61.7117.5175.166.60000110.1S392S392-S394 VanDerWaalsContact C-N 3.29Å; S392-S394 PolarHBondContact OG-N 2.89Å; S392-S394 PolarHBondContact OG-OG 3.28Å
395G82.1Confident82.3Confident80 Ų8075.5 Ų75.583%0.82545%0.448SS*.THydrogen-bonded Turntrans95.90.8-175.200000114.9L393L393-G395 PolarHBondContact O-N 2.91Å
396G80.8Confident79.8Confident33 Ų3376.8 Ų76.834%0.3446%0.455SS..  trans82.4172.8-178.400000112.9L393L393-G396 PolarHBondContact O-N 2.87Å
397Y84.1Confident77.6Confident60 Ų6076.8 Ų76.824%0.23545%0.452CS..  trans-112.4126.7179.2179.4-99.2000110.5P46 D96 R326 L371 I391 A399 P400P46-Y397 HydrophobicContact CB-CD1 4.07Å; P46-Y397 HydrophobicContact CB-CE1 3.82Å; P46-Y397 HydrophobicContact CG-CD1 4.26Å; P46-Y397 HydrophobicContact CG-CE1 3.89Å; D96-Y397 PolarHBondContact OD2-OH 3.29Å; R326-Y397 HydrophobicContact CB-CD1 3.84Å; R326-Y397 HydrophobicContact CB-CD2 4.1Å; R326-Y397 HydrophobicContact CB-CE1 3.96Å; R326-Y397 HydrophobicContact CB-CE2 4.22Å; R326-Y397 HydrophobicContact CB-CG 3.9Å; R326-Y397 HydrophobicContact CG-CD2 4.18Å; R326-Y397 HydrophobicContact CG-CE2 4.16Å; R326-Y397 HydrophobicContact CG-CG 4.48Å; R326-Y397 PolarHBondContact NH1-OH 3.3Å; R326-Y397 WeakPolarHBondContact O-CB 3.47Å; R326-Y397 VanDerWaalsContact O-CD1 3.22Å; R326-Y397 WeakPolarHBondContact O-CD1 3.31Å; L371-Y397 WeakPolarHBondContact CD1-OH 3.32Å; I391-Y397 HydrophobicContact CD1-CD2 4.2Å; I391-Y397 HydrophobicContact CD1-CE2 4.19Å; Y397-A399 VanDerWaalsContact CE1-CA 3.49Å; Y397-A399 HydrophobicContact CE1-CB 3.77Å; Y397-P400 WeakPolarHBondContact OH-CD 3.15Å
398A79.3Confident75.6Confident92 Ų9274.6 Ų74.676%0.7643%0.431SS*.  trans-108.5115.3168.500000108.3
399A78.9Confident73Confident36 Ų3684.2 Ų84.230%0.29847%0.465SS..PPolyproline II helixtrans-63.1128.4179.200000109.9K47 Y397K47-A399 HydrophobicContact CD-CB 3.86Å; K47-A399 HydrophobicContact CG-CB 3.57Å; Y397-A399 VanDerWaalsContact CE1-CA 3.49Å; Y397-A399 HydrophobicContact CE1-CB 3.77Å
400P80.3Confident70.3Confident61 Ų6183.8 Ų83.840%0.39647%0.468SS..PPolyproline II helixtrans-63.8151.7179.625.9-32.3000110.9K47 L371 Y397K47-P400 PolarHBondContact NZ-O 3.37Å; K47-P400 VanDerWaalsContact NZ-O 3.11Å; L371-P400 HydrophobicContact CD1-CG 3.48Å; L371-P400 VanDerWaalsContact CD1-CG 3.48Å; Y397-P400 WeakPolarHBondContact OH-CD 3.15Å
401P74.1Confident67.3Low105 Ų10587 Ų8768%0.68248%0.478SS*.PPolyproline II helixtrans-61.8148.6169.227.6-33.1000109.7K403P401-K403 PolarHBondContact O-N 3.46Å
402S67.5Low64.4Low22 Ų2287.8 Ų87.815%0.15449%0.487CS..PPolyproline II helixtrans-61130.4177.263.80000110.2D115 H404D115-S402 VanDerWaalsContact OD2-CB 3.29Å; D115-S402 WeakPolarHBondContact OD2-CB 3.44Å; D115-S402 PolarHBondContact OD2-N 3.12Å; D115-S402 PolarHBondContact OD2-OG 3.02Å; S402-H404 PolarHBondContact O-N 2.96Å
403K57.6Low61.4Low172 Ų17294.9 Ų94.975%0.74851%0.511SS*.  trans-82.4107.9167.3-67.3-178.9-177.5174.70106.6P401 T407P401-K403 PolarHBondContact O-N 3.46Å; K403-T407 HydrophobicContact CB-CG2 4.12Å
404H44.3Very low58.5Low162 Ų162102.4 Ų102.475%0.7555%0.55SS*.  trans-50.4137.4-175.3-86.7-77000114.3S402 D406S402-H404 PolarHBondContact O-N 2.96Å; H404-D406 VanDerWaalsContact C-N 3.27Å; H404-D406 PolarHBondContact O-N 3.18Å
405R43.9Very low55.6Low209 Ų209104.7 Ų104.779%0.78957%0.566SS**SBendtrans51.1-23.5159.4-102.6172.579.3148.41.2122.2
406D45.3Very low53.3Low106 Ų106106.3 Ų106.357%0.56757%0.565SS**  trans-100.9-0.6-172.4-69.8-25.8000114.2H404 L408 R409 S410H404-D406 VanDerWaalsContact C-N 3.27Å; H404-D406 PolarHBondContact O-N 3.18Å; D406-L408 PolarHBondContact O-N 2.93Å; D406-R409 PolarHBondContact O-N 3.3Å; D406-S410 WeakPolarHBondContact O-CB 2.95Å; D406-S410 PolarHBondContact O-N 3.48Å; D406-S410 PolarHBondContact O-OG 2.89Å
407T50.3Low51Low29 Ų29113.8 Ų113.818%0.17859%0.591CS.*THydrogen-bonded Turntrans-67.6-31.1-174.549.90000113.3F146 K403 R409F146-T407 WeakPolarHBondContact CE1-O 3.4Å; F146-T407 WeakPolarHBondContact CZ-O 3.24Å; K403-T407 HydrophobicContact CB-CG2 4.12Å; T407-R409 VanDerWaalsContact C-N 3.3Å; T407-R409 PolarHBondContact O-N 3.29Å
408L53Low48.5Very low18 Ų18118.5 Ų118.59%0.09462%0.62CS.*THydrogen-bonded Turntrans-76.7-15.8173.6-71.3174.1000113.1I126 V127 N147 V163 G164 D406I126-L408 HydrophobicContact CB-CD1 3.99Å; I126-L408 HydrophobicContact CD1-CD1 3.51Å; I126-L408 HydrophobicContact CG1-CD1 4.4Å; I126-L408 HydrophobicContact CG2-CD1 3.56Å; V127-L408 HydrophobicContact CG2-CD1 4.44Å; N147-L408 PolarHBondContact ND2-O 3.47Å; N147-L408 WeakPolarHBondContact OD1-CD2 3.22Å; V163-L408 HydrophobicContact CG1-CD2 3.92Å; G164-L408 CarbonylContact C-O 3.54Å; G164-L408 WeakPolarHBondContact CA-O 2.88Å; D406-L408 PolarHBondContact O-N 2.93Å
409R42.4Very low46.1Very low223 Ų223119.7 Ų119.784%0.84262%0.623SS**THydrogen-bonded Turntrans-118.3-5.8-171.2-75.5-173.7177.5-162.9-0.9116.2D406 T407D406-R409 PolarHBondContact O-N 3.3Å; T407-R409 VanDerWaalsContact C-N 3.3Å; T407-R409 PolarHBondContact O-N 3.29Å
410S38.2Very low43.6Very low64 Ų64121.4 Ų121.445%0.44864%0.644SS.*  trans-117.1132.1-173.658.60000113.9D406D406-S410 WeakPolarHBondContact O-CB 2.95Å; D406-S410 PolarHBondContact O-N 3.48Å; D406-S410 PolarHBondContact O-OG 2.89Å
411K34.1Very low41.1Very low164 Ų164123.6 Ų123.671%0.71367%0.668SS**  trans-56.7131.2164.2-67.9-177.5176.4-175.30108.5K413K411-K413 PolarHBondContact O-N 3.06Å
412P34.3Very low38.8Very low76 Ų76122.9 Ų122.949%0.49468%0.679SS.*  trans-62.2130.4173.822.5-27.8000109.4L376 L414L376-P412 HydrophobicContact CD2-CG 3.46Å; L376-P412 VanDerWaalsContact CD2-CG 3.46Å; P412-L414 PolarHBondContact O-N 2.88Å
413K34.1Very low36.9Very low207 Ų207125.8 Ų125.890%0.971%0.712SS**  trans-75110.9168.9-75.6-176.5177.1179.60108K411 S415K411-K413 PolarHBondContact O-N 3.06Å; K413-S415 PolarHBondContact O-N 2.79Å
414L33.6Very low35.4Very low160 Ų160122.4 Ų122.484%0.83872%0.717SS**  trans-59.3126.4158.6-104.582.8000108.1P412 S416P412-L414 PolarHBondContact O-N 2.88Å; L414-S416 PolarHBondContact O-N 3.2Å
415S30.5Very low34.6Very low119 Ų119119 Ų11983%0.83272%0.716SS**  trans-67.3102.5168.655.70000108.8K413K413-S415 PolarHBondContact O-N 2.79Å
416S32.7Very low33.8Very low115 Ų115116 Ų11680%0.80472%0.721SS**  trans-79.5133.3159.4400000108.7L414L414-S416 PolarHBondContact O-N 3.2Å
417Q33.4Very low32.9Very low189 Ų189115.8 Ų115.888%0.88373%0.734SS**  trans-59.1148.7178.6-79.7173.7-25.600112.4
418D30.7Very low31.9Very low160 Ų160119.3 Ų119.386%0.85677%0.767SS**  trans-43.9132.9171-126.3-16.7000114
419S29.6Very low30.6Very low116 Ų116125.1 Ų125.181%0.81180%0.803SS**  trans-151.2108.1146.962.70000108.5
420G26.4Very low29.9Very low73 Ų73119.3 Ų119.375%0.75380%0.802SS**  trans-74155.4-176.400000114.5
421A27.9Very low29.4Very low107 Ų107120.7 Ų120.788%0.88482%0.818SS**  trans-162.4132.8142.600000108.2
422G25.9Very low29Very low89 Ų89117.9 Ų117.992%0.91883%0.826SS**  trans-79.8175.3-166.900000116.5
423G26.3Very low28.6Very low83 Ų83118.7 Ų118.786%0.85684%0.838SS**  trans176.3108168.900000110.2
424A25.9Very low28.7Very low102 Ų102114.4 Ų114.484%0.84383%0.832SS**  trans-84.9169-176.600000113.6
425A27.5Very low28.5Very low90 Ų90113 Ų11374%0.74483%0.83SS**  trans80.5135.816500000116
426T27.3Very low28.5Very low145 Ų145113.3 Ų113.389%0.8983%0.829SS**  cis-164.3156.521.39.70000110.3
427A27.6Very low28.2Very low102 Ų102114.1 Ų114.184%0.84383%0.829SS**  trans-74.7151.8176.400000114
428A27.8Very low28.4Very low104 Ų104110.5 Ų110.586%0.8682%0.822SS**  trans-160.2140.2144.800000111.7
429T26.1Very low28.3Very low140 Ų140110.4 Ų110.486%0.85982%0.82SS**  trans-89.1172.7-172.4360000114.8
430A28.3Very low28.2Very low100 Ų100110.2 Ų110.283%0.82682%0.819SS**  trans92.3152.6156.600000117.1
431A26.6Very low28.3Very low93 Ų93111.4 Ų111.477%0.76982%0.822SS**  cis178.3143.1-34.600000105.3
432A26.9Very low28.3Very low106 Ų106110.9 Ų110.988%0.87682%0.817SS**  trans65.2137.6152.800000122.5
433A25.4Very low28.3Very low92 Ų92116.8 Ų116.876%0.7682%0.818SS**  trans-67.3-171.9173.300000112.5
434P36.2Very low28.3Very low117 Ų117121.5 Ų121.576%0.7682%0.818SS**  cis-145.5-177.32437.3-12.1000118.2
435T30.2Very low28.4Very low132 Ų132123.4 Ų123.481%0.8182%0.818SS**  trans-43.6160170.221.20000117
436P30.3Very low28.3Very low124 Ų124128 Ų12881%0.80582%0.824SS**  -143.8143.1124.735.3-19.2000115.6
437T26.8Very low28.2Very low132 Ų132130.3 Ų130.381%0.8183%0.825SS**  trans-122.9167.7143.4410000105.7
438P37.9Very low28Very low114 Ų114134 Ų13474%0.7483%0.825SS**  cis-147.8-162.827.438-13.2000114.7
439I27.6Very low28.1Very low158 Ų158134.6 Ų134.681%0.8182%0.818SS**  trans147.3103.4148.7-74.9160.9000108.5
440S27.7Very low28.4Very low111 Ų111133.7 Ų133.778%0.77682%0.815SS**  82.9121.491.3-171.60000115.2
441A28.1Very low28.6Very low99 Ų99137.5 Ų137.582%0.81882%0.815SS**  171.1144.7114.500000112.1
442A28.1Very low28.8Very low96 Ų96139.2 Ų139.279%0.79382%0.819SS**  trans-82.2165.1-167.900000115.9
443K26.5Very low29Very low213 Ų213145.9 Ų145.993%0.92682%0.821SS**  -166.8129.6125.7-109.4176.8-178.8-175.60112.7
444E25.9Very low29.2Very low182 Ų182146.4 Ų146.485%0.8583%0.826SS**  trans-68.3155170-60.9159.1152.700111.9
445V27.1Very low28.8Very low141 Ų141147.2 Ų147.286%0.85583%0.829SS**  -156.6118.9125.3177.50000108.5
446E26.3Very low28.9Very low186 Ų186145.5 Ų145.587%0.86983%0.828SS**  trans-83.2146.7157.9-74.2176.4143.600109.7
447E24.1Very low28.8Very low195 Ų195151.3 Ų151.391%0.91183%0.834SS**  trans-150.9124.9149.3-146172.1-17000111.5
448E25.1Very low29.5Very low178 Ų178154.2 Ų154.283%0.83284%0.838SS**  trans-85.5139-179.9-87.9-175139.500112.9
449T29.5Very low29.4Very low117 Ų117154.9 Ų154.972%0.71884%0.84SS**  trans21.4147.4139.929.90000122.7
450P32.6Very low29.8Very low122 Ų122153.8 Ų153.879%0.79284%0.836SS**  -149.1152.480.635.1-14000118.4
451Q31Very low30.7Very low179 Ų179151.7 Ų151.784%0.83683%0.832SS**  trans-69.1156.8162.8-70.2176.7-900111.8
452P32.5Very low31.8Very low130 Ų130153.5 Ų153.584%0.84483%0.828SS**  trans-123140.8143.832-18.9000112.6
453R29.7Very low32.8Very low245 Ų245153.6 Ų153.693%0.92582%0.818SS**  trans-101.6122.7176.8-160.6-178-166.7-1754.8107.8
454A29.4Very low34.1Very low104 Ų104149.4 Ų149.486%0.8680%0.802SS**  trans-157.1150.7159.100000111.6
455T28.4Very low35.3Very low134 Ų134149.5 Ų149.582%0.82280%0.795SS**  trans-92.3145.4-155.644.60000115.5
456A32.6Very low36.6Very low96 Ų96145.6 Ų145.679%0.79377%0.773SS**  trans50.4118.3143.800000120.9
457R28.7Very low38.6Very low245 Ų245145.5 Ų145.593%0.92576%0.764SS**  -165.5123.4125-105.1168.9-172.7-1711.8110.4
458E40.9Very low40.9Very low193 Ų193144 Ų14490%0.90275%0.75SS**  trans-61.9134.5168.9-69.1171.2139.700110.4
459T35.7Very low43.4Very low128 Ų128141.6 Ų141.679%0.78574%0.739SS**  trans-172.3134.8148.115.50000110.4
460D36.9Very low45.9Very low136 Ų136141.2 Ų141.273%0.72773%0.733SS**  trans68.976.6158.6-62.5-14.7000121.3N462D460-N462 PolarHBondContact O-N 2.66Å
461G46.2Very low48.4Very low66 Ų66141.4 Ų141.468%0.6872%0.723SS**THydrogen-bonded Turntrans-85.623.817100000116.9
462N50.2Low51Low138 Ų138138.3 Ų138.374%0.73871%0.71SS**THydrogen-bonded Turntrans-112.8-6.1-175.3-154.137.3000115.5D460D460-N462 PolarHBondContact O-N 2.66Å
463T50.2Low53.6Low97 Ų97136.8 Ų136.860%0.59569%0.694SS**SBendtrans-106.6-16.3-179.519.40000114.3
464E52.3Low56.5Low126 Ų126128.5 Ų128.559%0.58967%0.674SS**Hα-helixtrans-82.9-30.7176.2-78.5-163.315300114.1R467 R468E464-R467 PolarHBondContact O-N 3.25Å; E464-R468 PolarHBondContact O-N 2.9Å; E464-R468 IonicContact OE2-NH2 2.85Å
465R51.7Low59.5Low183 Ų183130.3 Ų130.369%0.69166%0.664SS**Hα-helixtrans-60.3-49178.8-81.7-176.6179.1-177.8-0.4114.1R467 R468 E469R465-R467 VanDerWaalsContact C-N 3.29Å; R465-R467 PolarHBondContact O-N 2.86Å; R465-R468 PolarHBondContact O-N 3.1Å; R465-E469 PolarHBondContact O-N 3.21Å; R465-E469 VanDerWaalsContact O-N 3.17Å
466P55.6Low62.3Low60 Ų60128.4 Ų128.439%0.3965%0.649SS.*Hα-helixtrans-65.6-32-179.721.4-30.4000112.6E469 D470P466-E469 PolarHBondContact O-N 2.86Å; P466-D470 WeakPolarHBondContact O-CB 3.47Å; P466-D470 PolarHBondContact O-N 3.29Å
467R67.4Low65.1Low183 Ų183129.2 Ų129.269%0.69164%0.639SS**Hα-helixtrans-67.1-40.6176.3-77.4-176.3177.5161.9-0.2113.1E464 R465 E469 D470 E471E464-R467 PolarHBondContact O-N 3.25Å; R465-R467 VanDerWaalsContact C-N 3.29Å; R465-R467 PolarHBondContact O-N 2.86Å; R467-E469 VanDerWaalsContact C-N 3.34Å; R467-D470 PolarHBondContact O-N 3.4Å; R467-E471 WeakPolarHBondContact O-CB 3.21Å; R467-E471 WeakPolarHBondContact O-CG 3.19Å; R467-E471 PolarHBondContact O-N 3.44Å
468R73.1Confident68.1Low165 Ų165120.4 Ų120.462%0.62362%0.618SS**Hα-helixtrans-68-34.9176.7-72.3-173.9-172.8170.68.1112.3E464 R465 M472E464-R468 PolarHBondContact O-N 2.9Å; E464-R468 IonicContact OE2-NH2 2.85Å; R465-R468 PolarHBondContact O-N 3.1Å; R468-M472 VanDerWaalsContact O-CB 3.28Å; R468-M472 WeakPolarHBondContact O-CB 3.44Å; R468-M472 PolarHBondContact O-N 3.08Å
469E76.9Confident70.5Confident127 Ų127117 Ų11759%0.59360%0.602SS**Hα-helixtrans-68.5-41.1175.2-71.3173.9-179.500111.6R465 P466 R467 M472 L473R465-E469 PolarHBondContact O-N 3.21Å; R465-E469 VanDerWaalsContact O-N 3.17Å; P466-E469 PolarHBondContact O-N 2.86Å; R467-E469 VanDerWaalsContact C-N 3.34Å; E469-M472 PolarHBondContact O-N 3.07Å; E469-L473 VanDerWaalsContact O-CB 3.3Å; E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 PolarHBondContact O-N 2.88Å
470D81.8Confident73.1Confident109 Ų109115.7 Ų115.758%0.58359%0.589SS**Hα-helixtrans-66.2-40.3175.1-75.3-24.9000112.4P466 R467 L473 S474P466-D470 WeakPolarHBondContact O-CB 3.47Å; P466-D470 PolarHBondContact O-N 3.29Å; R467-D470 PolarHBondContact O-N 3.4Å; D470-L473 PolarHBondContact O-N 3.22Å; D470-S474 WeakPolarHBondContact O-CB 3.4Å; D470-S474 PolarHBondContact O-N 3.34Å
471E85.4Confident75.7Confident125 Ų125117 Ų11758%0.58459%0.588SS**Hα-helixtrans-63.4-47.4174.8-77.7172.4-176.200111.2R467 L473 S474 E475R467-E471 WeakPolarHBondContact O-CB 3.21Å; R467-E471 WeakPolarHBondContact O-CG 3.19Å; R467-E471 PolarHBondContact O-N 3.44Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 2.97Å; E471-S474 PolarHBondContact O-N 2.94Å; E471-S474 VanDerWaalsContact O-N 3.14Å; E471-S474 PolarHBondContact O-OG 2.79Å; E471-E475 PolarHBondContact O-N 3.39Å
472M85.7Confident77.8Confident115 Ų115116.5 Ų116.557%0.56758%0.578SS**Hα-helixtrans-64-38.4177.9-166.4178.972.200112R468 E469 S474 E475 L476R468-M472 VanDerWaalsContact O-CB 3.28Å; R468-M472 WeakPolarHBondContact O-CB 3.44Å; R468-M472 PolarHBondContact O-N 3.08Å; E469-M472 PolarHBondContact O-N 3.07Å; M472-S474 VanDerWaalsContact C-N 3.34Å; M472-E475 PolarHBondContact O-N 3.4Å; M472-L476 HydrophobicContact CG-CD1 4.45Å; M472-L476 WeakPolarHBondContact O-CB 3.45Å; M472-L476 PolarHBondContact O-N 3.5Å
473L86.7Confident79.7Confident98 Ų98114.5 Ų114.551%0.51357%0.566SS.*Hα-helixtrans-65.1-39.2174-177.463.6000111.5E469 D470 E471 E475 L477E469-L473 VanDerWaalsContact O-CB 3.3Å; E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 PolarHBondContact O-N 2.88Å; D470-L473 PolarHBondContact O-N 3.22Å; E471-L473 VanDerWaalsContact C-N 3.34Å; E471-L473 PolarHBondContact O-N 2.97Å; L473-E475 VanDerWaalsContact C-N 3.35Å; L473-L477 HydrophobicContact CG-CD1 4.24Å; L473-L477 WeakPolarHBondContact O-CB 3.42Å; L473-L477 VanDerWaalsContact O-CG 3.27Å; L473-L477 WeakPolarHBondContact O-CG 3.32Å; L473-L477 PolarHBondContact O-N 2.7Å
474S90.6Very high81.6Confident71 Ų71118.4 Ų118.450%0.49757%0.57SS.*Hα-helixtrans-66.2-37.3177.779.20000112.5D470 E471 M472 L477 A478D470-S474 WeakPolarHBondContact O-CB 3.4Å; D470-S474 PolarHBondContact O-N 3.34Å; E471-S474 PolarHBondContact O-N 2.94Å; E471-S474 VanDerWaalsContact O-N 3.14Å; E471-S474 PolarHBondContact O-OG 2.79Å; M472-S474 VanDerWaalsContact C-N 3.34Å; S474-L477 PolarHBondContact O-N 3.08Å; S474-A478 WeakPolarHBondContact O-CB 3.21Å; S474-A478 PolarHBondContact O-N 3.47Å
475E92.3Very high83.4Confident141 Ų141115.2 Ų115.266%0.65957%0.566SS**Hα-helixtrans-68.6-46.1176.6-166.4170-161.500111.1E471 M472 L473 L477 A478 E479E471-E475 PolarHBondContact O-N 3.39Å; M472-E475 PolarHBondContact O-N 3.4Å; L473-E475 VanDerWaalsContact C-N 3.35Å; E475-L477 VanDerWaalsContact C-N 3.32Å; E475-L477 PolarHBondContact O-N 2.75Å; E475-A478 WeakPolarHBondContact O-CB 3.27Å; E475-A478 PolarHBondContact O-N 2.78Å; E475-A478 VanDerWaalsContact O-N 3.13Å; E475-E479 PolarHBondContact O-N 3.12Å
476L88.3Confident85.4Confident95 Ų95110.4 Ų110.450%0.49756%0.556SS.*Hα-helixtrans-58.3-41.3173.2-98.9149.1000112.6M472 E479 M480M472-L476 HydrophobicContact CG-CD1 4.45Å; M472-L476 WeakPolarHBondContact O-CB 3.45Å; M472-L476 PolarHBondContact O-N 3.5Å; L476-E479 PolarHBondContact O-N 3.48Å; L476-M480 WeakPolarHBondContact O-CB 3.4Å; L476-M480 PolarHBondContact O-N 2.98Å
477L91.2Very high87.1Confident112 Ų112111.3 Ų111.359%0.58656%0.56SS**Hα-helixtrans-67.6-36.5176.5-74.9172.1000112.3L473 S474 E475 K481L473-L477 HydrophobicContact CG-CD1 4.24Å; L473-L477 WeakPolarHBondContact O-CB 3.42Å; L473-L477 VanDerWaalsContact O-CG 3.27Å; L473-L477 WeakPolarHBondContact O-CG 3.32Å; L473-L477 PolarHBondContact O-N 2.7Å; S474-L477 PolarHBondContact O-N 3.08Å; E475-L477 VanDerWaalsContact C-N 3.32Å; E475-L477 PolarHBondContact O-N 2.75Å; L477-K481 WeakPolarHBondContact O-CB 3.48Å; L477-K481 PolarHBondContact O-N 3.42Å
478A91.3Very high88.3Confident60 Ų60107.7 Ų107.750%0.49655%0.554SS.*Hα-helixtrans-65.9-42.9175.100000111.4S474 E475 K481 A482S474-A478 WeakPolarHBondContact O-CB 3.21Å; S474-A478 PolarHBondContact O-N 3.47Å; E475-A478 WeakPolarHBondContact O-CB 3.27Å; E475-A478 PolarHBondContact O-N 2.78Å; E475-A478 VanDerWaalsContact O-N 3.13Å; A478-K481 WeakPolarHBondContact O-CB 3.32Å; A478-K481 PolarHBondContact O-N 3.45Å; A478-A482 PolarHBondContact O-N 3.01Å
479E91.8Very high89.2Confident121 Ų121102.4 Ų102.457%0.56555%0.546SS*.Hα-helixtrans-64.6-44.3175.9-167.2175.8-167.900111.7E475 L476 K481 A482 L483E475-E479 PolarHBondContact O-N 3.12Å; L476-E479 PolarHBondContact O-N 3.48Å; E479-K481 VanDerWaalsContact C-N 3.26Å; E479-K481 PolarHBondContact O-N 3.26Å; E479-A482 WeakPolarHBondContact O-CB 3.43Å; E479-A482 PolarHBondContact O-N 2.97Å; E479-A482 VanDerWaalsContact O-N 3.13Å; E479-L483 HydrophobicContact CG-CD1 4.41Å; E479-L483 WeakPolarHBondContact O-CG 3.35Å; E479-L483 PolarHBondContact O-N 3.19Å
480M89.4Confident89.9Confident101 Ų101102.1 Ų102.150%0.49855%0.545SS..Hα-helixtrans-59.1-38.4174.2-119.2-77.6154.700112.1L476 R484L476-M480 WeakPolarHBondContact O-CB 3.4Å; L476-M480 PolarHBondContact O-N 2.98Å; M480-R484 WeakPolarHBondContact O-CB 3.29Å; M480-R484 VanDerWaalsContact O-CG 3.3Å; M480-R484 WeakPolarHBondContact O-CG 3.5Å; M480-R484 PolarHBondContact O-N 3.44Å; M480-R484 HydrophobicContact SD-CG 4.43Å
481K92.1Very high90.3Very high163 Ų163101.1 Ų101.171%0.70954%0.539SS*.Hα-helixtrans-68.2-40.3176.3-170.9179.4179.6-177.60111.7L477 A478 E479 R484 A485L477-K481 WeakPolarHBondContact O-CB 3.48Å; L477-K481 PolarHBondContact O-N 3.42Å; A478-K481 WeakPolarHBondContact O-CB 3.32Å; A478-K481 PolarHBondContact O-N 3.45Å; E479-K481 VanDerWaalsContact C-N 3.26Å; E479-K481 PolarHBondContact O-N 3.26Å; K481-R484 PolarHBondContact O-N 3.39Å; K481-A485 PolarHBondContact O-N 3.22Å; K481-A485 VanDerWaalsContact O-N 3.11Å
482A90.8Very high90.7Very high57 Ų57100.9 Ų100.947%0.47154%0.538SS..Hα-helixtrans-63.7-45.9175.600000111.4A478 E479 R484 A485 V486A478-A482 PolarHBondContact O-N 3.01Å; E479-A482 WeakPolarHBondContact O-CB 3.43Å; E479-A482 PolarHBondContact O-N 2.97Å; E479-A482 VanDerWaalsContact O-N 3.13Å; A482-R484 PolarHBondContact O-N 3.07Å; A482-A485 WeakPolarHBondContact O-CB 3.1Å; A482-A485 PolarHBondContact O-N 3.49Å; A482-A485 VanDerWaalsContact O-N 3.14Å; A482-V486 PolarHBondContact O-N 3.42Å; A482-V486 VanDerWaalsContact O-N 3.07Å
483L88.8Confident91Very high95 Ų95104.1 Ų104.150%0.49754%0.544SS..Hα-helixtrans-61.8-42.2176.5-71.7171.7000112.1E479 A485 V486 V487E479-L483 HydrophobicContact CG-CD1 4.41Å; E479-L483 WeakPolarHBondContact O-CG 3.35Å; E479-L483 PolarHBondContact O-N 3.19Å; L483-A485 VanDerWaalsContact C-N 3.29Å; L483-A485 PolarHBondContact O-N 3.29Å; L483-V486 PolarHBondContact O-N 2.72Å; L483-V487 WeakPolarHBondContact O-CG2 3.28Å; L483-V487 PolarHBondContact O-N 2.99Å
484R90.8Very high91.3Very high179 Ų179103.4 Ų103.468%0.67554%0.54SS*.Hα-helixtrans-60-37.7174.1-77.1177.9-175.4-166.71.1112.6M480 K481 A482 L488M480-R484 WeakPolarHBondContact O-CB 3.29Å; M480-R484 VanDerWaalsContact O-CG 3.3Å; M480-R484 WeakPolarHBondContact O-CG 3.5Å; M480-R484 PolarHBondContact O-N 3.44Å; M480-R484 HydrophobicContact SD-CG 4.43Å; K481-R484 PolarHBondContact O-N 3.39Å; A482-R484 PolarHBondContact O-N 3.07Å; R484-L488 WeakPolarHBondContact O-CB 3.44Å; R484-L488 PolarHBondContact O-N 3.16Å
485A90.8Very high91.4Very high60 Ų60105 Ų10550%0.49654%0.54SS..Hα-helixtrans-67-39.5176.500000112K481 A482 L483 L488 A489K481-A485 PolarHBondContact O-N 3.22Å; K481-A485 VanDerWaalsContact O-N 3.11Å; A482-A485 WeakPolarHBondContact O-CB 3.1Å; A482-A485 PolarHBondContact O-N 3.49Å; A482-A485 VanDerWaalsContact O-N 3.14Å; L483-A485 VanDerWaalsContact C-N 3.29Å; L483-A485 PolarHBondContact O-N 3.29Å; A485-L488 PolarHBondContact O-N 2.78Å; A485-A489 WeakPolarHBondContact O-CB 3.49Å; A485-A489 PolarHBondContact O-N 2.97Å
486V92.4Very high91.4Very high81 Ų81103 Ų10349%0.49153%0.533SS..Hα-helixtrans-63.8-45.9175.31750000111.1A482 L483 L488 A489 Q490A482-V486 PolarHBondContact O-N 3.42Å; A482-V486 VanDerWaalsContact O-N 3.07Å; L483-V486 PolarHBondContact O-N 2.72Å; V486-L488 VanDerWaalsContact C-N 3.32Å; V486-L488 PolarHBondContact O-N 3.17Å; V486-A489 PolarHBondContact O-N 3.22Å; V486-Q490 WeakPolarHBondContact O-CG 3.46Å; V486-Q490 PolarHBondContact O-N 3.42Å
487V92.6Very high91.4Very high79 Ų79102.9 Ų102.948%0.47953%0.532SS..Hα-helixtrans-60.6-42.7176.9172.30000111L483 A489 Q490 N491L483-V487 WeakPolarHBondContact O-CG2 3.28Å; L483-V487 PolarHBondContact O-N 2.99Å; V487-A489 PolarHBondContact O-N 2.99Å; V487-Q490 PolarHBondContact O-N 3.36Å; V487-N491 PolarHBondContact O-N 3.14Å
488L91.7Very high91.5Very high107 Ų107102.9 Ų102.956%0.5653%0.529SS*.Hα-helixtrans-64.7-40.6178.6-161120.8000111.9R484 A485 V486 N491 Q492R484-L488 WeakPolarHBondContact O-CB 3.44Å; R484-L488 PolarHBondContact O-N 3.16Å; A485-L488 PolarHBondContact O-N 2.78Å; V486-L488 VanDerWaalsContact C-N 3.32Å; V486-L488 PolarHBondContact O-N 3.17Å; L488-N491 PolarHBondContact O-N 3.11Å; L488-Q492 WeakPolarHBondContact O-CG 3.45Å; L488-Q492 PolarHBondContact O-N 2.88Å
489A91.3Very high91.4Very high54 Ų54107.6 Ų107.645%0.44653%0.534SS..Hα-helixtrans-66-38175.200000112.3A485 V486 V487 R493A485-A489 WeakPolarHBondContact O-CB 3.49Å; A485-A489 PolarHBondContact O-N 2.97Å; V486-A489 PolarHBondContact O-N 3.22Å; V487-A489 PolarHBondContact O-N 2.99Å; A489-R493 PolarHBondContact O-N 2.96Å; A489-R493 VanDerWaalsContact O-N 3.09Å
490Q91.4Very high91.2Very high122 Ų122106.1 Ų106.157%0.5753%0.527SS*.Hα-helixtrans-66.8-43.1174.6-74.8-166.3-12.600111.9V486 V487 Q492 R493 I494V486-Q490 WeakPolarHBondContact O-CG 3.46Å; V486-Q490 PolarHBondContact O-N 3.42Å; V487-Q490 PolarHBondContact O-N 3.36Å; Q490-Q492 VanDerWaalsContact C-N 3.34Å; Q490-Q492 PolarHBondContact O-N 3.46Å; Q490-R493 WeakPolarHBondContact O-CB 3.41Å; Q490-R493 PolarHBondContact O-N 3.13Å; Q490-R493 VanDerWaalsContact O-N 3.11Å; Q490-I494 WeakPolarHBondContact O-CG1 3.3Å; Q490-I494 PolarHBondContact O-N 2.99Å
491N91.8Very high91Very high88 Ų88106.1 Ų106.147%0.47153%0.529SS..Hα-helixtrans-60.8-42.3176.1-73.7-11.4000111.9V487 L488 R493 I494 E495V487-N491 PolarHBondContact O-N 3.14Å; L488-N491 PolarHBondContact O-N 3.11Å; N491-R493 VanDerWaalsContact C-N 3.3Å; N491-R493 PolarHBondContact O-N 3.47Å; N491-I494 PolarHBondContact O-N 3.3Å; N491-E495 PolarHBondContact O-N 3.27Å
492Q92.9Very high90.8Very high119 Ų119101.5 Ų101.556%0.55651%0.514SS*.Hα-helixtrans-62-37.7174.3-73.5175.7-5.200112.5L488 Q490 L496L488-Q492 WeakPolarHBondContact O-CG 3.45Å; L488-Q492 PolarHBondContact O-N 2.88Å; Q490-Q492 VanDerWaalsContact C-N 3.34Å; Q490-Q492 PolarHBondContact O-N 3.46Å; Q492-L496 WeakPolarHBondContact O-CB 3.5Å; Q492-L496 PolarHBondContact O-N 3.02Å; Q492-L496 VanDerWaalsContact O-N 3.11Å
493R92.9Very high90.5Very high183 Ų183105.3 Ų105.369%0.69152%0.517SS*.Hα-helixtrans-67.7-39.6175.8-175.1169-178.3163.9-0.9111.8A489 Q490 N491 L496 L497A489-R493 PolarHBondContact O-N 2.96Å; A489-R493 VanDerWaalsContact O-N 3.09Å; Q490-R493 WeakPolarHBondContact O-CB 3.41Å; Q490-R493 PolarHBondContact O-N 3.13Å; Q490-R493 VanDerWaalsContact O-N 3.11Å; N491-R493 VanDerWaalsContact C-N 3.3Å; N491-R493 PolarHBondContact O-N 3.47Å; R493-L496 PolarHBondContact O-N 2.92Å; R493-L497 HydrophobicContact CG-CD1 4.2Å; R493-L497 WeakPolarHBondContact O-CG 3.48Å; R493-L497 PolarHBondContact O-N 3.13Å
494I91.8Very high90.3Very high83 Ų83106.1 Ų106.143%0.42652%0.52SS..Hα-helixtrans-61.7-49.5175.4-68.4165.1000109.8Q490 N491 L496 L497 E498Q490-I494 WeakPolarHBondContact O-CG1 3.3Å; Q490-I494 PolarHBondContact O-N 2.99Å; N491-I494 PolarHBondContact O-N 3.3Å; I494-L496 PolarHBondContact O-N 3.45Å; I494-L497 PolarHBondContact O-N 3.37Å; I494-L497 VanDerWaalsContact O-N 3.1Å; I494-E498 HydrophobicContact CG2-CG 4.31Å; I494-E498 WeakPolarHBondContact O-CG 3.45Å; I494-E498 PolarHBondContact O-N 3Å
495E92.8Very high89.9Confident105 Ų105104.5 Ų104.549%0.49152%0.52SS..Hα-helixtrans-57.8-36.7176.5-76.5-175.8-175.200112.7N491 R499N491-E495 PolarHBondContact O-N 3.27Å; E495-R499 VanDerWaalsContact O-CG 3.31Å; E495-R499 WeakPolarHBondContact O-CG 3.27Å; E495-R499 PolarHBondContact O-N 3.46Å
496L92.1Very high89.6Confident99 Ų99108 Ų10852%0.51853%0.531SS..Hα-helixtrans-69.6-41.6178.6-148.3162.5000111.1Q492 R493 I494 R499 Q500Q492-L496 WeakPolarHBondContact O-CB 3.5Å; Q492-L496 PolarHBondContact O-N 3.02Å; Q492-L496 VanDerWaalsContact O-N 3.11Å; R493-L496 PolarHBondContact O-N 2.92Å; I494-L496 PolarHBondContact O-N 3.45Å; L496-R499 PolarHBondContact O-N 2.92Å; L496-Q500 HydrophobicContact CD2-CG 4.21Å; L496-Q500 WeakPolarHBondContact O-CG 3.45Å; L496-Q500 PolarHBondContact O-N 3.43Å
497L89.5Confident88.7Confident92 Ų92107 Ų10748%0.48254%0.537SS..Hα-helixtrans-65.9-40.4175.1-71.8169.2000111.6R493 I494 R499 Q500 L501R493-L497 HydrophobicContact CG-CD1 4.2Å; R493-L497 WeakPolarHBondContact O-CG 3.48Å; R493-L497 PolarHBondContact O-N 3.13Å; I494-L497 PolarHBondContact O-N 3.37Å; I494-L497 VanDerWaalsContact O-N 3.1Å; L497-R499 PolarHBondContact O-N 2.96Å; L497-Q500 WeakPolarHBondContact O-CB 3.43Å; L497-Q500 PolarHBondContact O-N 2.98Å; L497-Q500 VanDerWaalsContact O-N 3.13Å; L497-L501 WeakPolarHBondContact O-CB 3.28Å; L497-L501 PolarHBondContact O-N 2.93Å
498E91.9Very high87.4Confident113 Ų113109.1 Ų109.153%0.52855%0.545SS..Hα-helixtrans-61.3-43.7174.1-72.917516900111.1I494 Q500 L501 T502I494-E498 HydrophobicContact CG2-CG 4.31Å; I494-E498 WeakPolarHBondContact O-CG 3.45Å; I494-E498 PolarHBondContact O-N 3Å; E498-Q500 VanDerWaalsContact C-N 3.26Å; E498-Q500 PolarHBondContact O-N 2.67Å; E498-L501 WeakPolarHBondContact O-CB 3.39Å; E498-L501 PolarHBondContact O-N 3.14Å; E498-T502 WeakPolarHBondContact O-CG2 3.34Å; E498-T502 PolarHBondContact O-N 3.47Å; E498-T502 PolarHBondContact O-OG1 3.44Å
499R89.6Confident85.8Confident158 Ų158113.5 Ų113.560%0.59658%0.576SS**Hα-helixtrans-67.2-23.2174.2-72.5179.1-169.6-1808.1114.4E495 L496 L497 T502 R503E495-R499 VanDerWaalsContact O-CG 3.31Å; E495-R499 WeakPolarHBondContact O-CG 3.27Å; E495-R499 PolarHBondContact O-N 3.46Å; L496-R499 PolarHBondContact O-N 2.92Å; L497-R499 PolarHBondContact O-N 2.96Å; R499-T502 WeakPolarHBondContact CA-OG1 3.42Å; R499-T502 PolarHBondContact O-OG1 3.01Å; R499-R503 PolarHBondContact O-NE 2.95Å; R499-R503 VanDerWaalsContact O-NE 3.15Å
500Q88.5Confident85.5Confident91 Ų91116.5 Ų116.543%0.42558%0.583SS.*Hα-helixtrans-78.8-41172.2-76.7178.6-28.600110.1L496 L497 E498 R503 I504L496-Q500 HydrophobicContact CD2-CG 4.21Å; L496-Q500 WeakPolarHBondContact O-CG 3.45Å; L496-Q500 PolarHBondContact O-N 3.43Å; L497-Q500 WeakPolarHBondContact O-CB 3.43Å; L497-Q500 PolarHBondContact O-N 2.98Å; L497-Q500 VanDerWaalsContact O-N 3.13Å; E498-Q500 VanDerWaalsContact C-N 3.26Å; E498-Q500 PolarHBondContact O-N 2.67Å; Q500-R503 PolarHBondContact O-N 3.48Å; Q500-I504 WeakPolarHBondContact O-CG1 3.44Å; Q500-I504 PolarHBondContact O-N 2.99Å; Q500-I504 VanDerWaalsContact O-N 3.08Å
501L85.1Confident85.2Confident100 Ų100116.2 Ų116.252%0.52458%0.583SS.*Hα-helixtrans-60.8-47.1175.8-164.377.7000111.3L497 E498 R503 I504 E505L497-L501 WeakPolarHBondContact O-CB 3.28Å; L497-L501 PolarHBondContact O-N 2.93Å; E498-L501 WeakPolarHBondContact O-CB 3.39Å; E498-L501 PolarHBondContact O-N 3.14Å; L501-R503 VanDerWaalsContact C-N 3.29Å; L501-R503 PolarHBondContact O-N 2.99Å; L501-I504 PolarHBondContact O-N 3.43Å; L501-I504 VanDerWaalsContact O-N 3.15Å; L501-E505 WeakPolarHBondContact O-CG 3.3Å; L501-E505 PolarHBondContact O-N 3.17Å
502T88.3Confident84.8Confident67 Ų67117.7 Ų117.741%0.41159%0.589SS.*Hα-helixtrans-62.1-36.2177.658.10000112.3E498 R499 E505 D506E498-T502 WeakPolarHBondContact O-CG2 3.34Å; E498-T502 PolarHBondContact O-N 3.47Å; E498-T502 PolarHBondContact O-OG1 3.44Å; R499-T502 WeakPolarHBondContact CA-OG1 3.42Å; R499-T502 PolarHBondContact O-OG1 3.01Å; T502-E505 PolarHBondContact O-N 2.9Å; T502-D506 WeakPolarHBondContact O-CB 3.49Å; T502-D506 PolarHBondContact O-N 3.31Å
503R84.3Confident84.3Confident137 Ų137117.6 Ų117.652%0.51759%0.591SS.*Hα-helixtrans-66.7-37.6176-85.6-173.4-88.9-177.4-7.3112.7R499 Q500 L501 G507 D508R499-R503 PolarHBondContact O-NE 2.95Å; R499-R503 VanDerWaalsContact O-NE 3.15Å; Q500-R503 PolarHBondContact O-N 3.48Å; L501-R503 VanDerWaalsContact C-N 3.29Å; L501-R503 PolarHBondContact O-N 2.99Å; R503-G507 PolarHBondContact O-N 3.22Å; R503-D508 PolarHBondContact O-N 3.41Å; R503-D508 VanDerWaalsContact O-N 3.14Å
504I84.1Confident83.8Confident112 Ų112113.6 Ų113.657%0.57459%0.585SS**Hα-helixtrans-67.4-40.5174.1-65.9165.3000110.3Q500 L501 G507Q500-I504 WeakPolarHBondContact O-CG1 3.44Å; Q500-I504 PolarHBondContact O-N 2.99Å; Q500-I504 VanDerWaalsContact O-N 3.08Å; L501-I504 PolarHBondContact O-N 3.43Å; L501-I504 VanDerWaalsContact O-N 3.15Å; I504-G507 PolarHBondContact O-N 3.43Å
505E82Confident83.3Confident145 Ų145115.6 Ų115.668%0.67860%0.596SS**Hα-helixtrans-66.5-35.1177.5-72.3177.4166.300112.9L501 T502 G507L501-E505 WeakPolarHBondContact O-CG 3.3Å; L501-E505 PolarHBondContact O-N 3.17Å; T502-E505 PolarHBondContact O-N 2.9Å; E505-G507 VanDerWaalsContact C-N 3.28Å; E505-G507 PolarHBondContact O-N 3.35Å
506D84.2Confident82.6Confident134 Ų134116.4 Ų116.472%0.71760%0.603SS**THydrogen-bonded Turntrans-81.6-1.4178.8-71.4-29000113.8T502T502-D506 WeakPolarHBondContact O-CB 3.49Å; T502-D506 PolarHBondContact O-N 3.31Å
507G73.2Confident81.9Confident60 Ų60117.7 Ų117.762%0.61961%0.61SS**THydrogen-bonded Turntrans78.913.8175.300000115.3R503 I504 E505 V509R503-G507 PolarHBondContact O-N 3.22Å; I504-G507 PolarHBondContact O-N 3.43Å; E505-G507 VanDerWaalsContact C-N 3.28Å; E505-G507 PolarHBondContact O-N 3.35Å; G507-V509 PolarHBondContact O-N 3.44Å
508D65.2Low81.2Confident122 Ų122119.8 Ų119.865%0.65262%0.621SS**  trans-8991.8170.2-88.2-20.7000109.3R503R503-D508 PolarHBondContact O-N 3.41Å; R503-D508 VanDerWaalsContact O-N 3.14Å
509V58.4Low80.3Confident199 Ų199120.5 Ų120.5100%1.20663%0.629SS**  trans95.60-179.6-171.20000115.4G507G507-V509 PolarHBondContact O-N 3.44Å

Retrieved 509 of 509 residues in 452.4 ms (Link to these results)

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