A0A087X9B5_POEFO Loading...

Dynactin subunit 4

AlphaFold DB , UniProt , Accession A0A087X9B5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 469 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
1M45.9Very low79.1Confident207 Ų20792.1 Ų92.1100%1.0250%0.497SS*.  0-40.20-68.1-168.4-174.300112.9S3 L4M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.85Å; M1-L4 WeakPolarHBondContact O-CB 3.15Å; M1-L4 PolarHBondContact O-N 3.08Å
2A63.1Low80.3Confident70 Ų7084.6 Ų84.658%0.57946%0.456SS*.G310 helixtrans-53.9-39.617900000114L4 P7A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 3.46Å; A2-P7 WeakPolarHBondContact O-CD 3.5Å; A2-P7 WeakPolarHBondContact O-CG 3.49Å
3S75.2Confident81.2Confident102 Ų10278.8 Ų78.871%0.71343%0.425SS*.G310 helixtrans-70.1-20178.451.10000115.1M1M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 2.85Å
4L79.1Confident82Confident133 Ų13373.2 Ų73.270%0.69640%0.395SS*.G310 helixtrans-70.7-34.5-175.9-176.865.5000112M1 A2 H6M1-L4 WeakPolarHBondContact O-CB 3.15Å; M1-L4 PolarHBondContact O-N 3.08Å; A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 3.46Å; L4-H6 VanDerWaalsContact C-N 3.34Å; L4-H6 PolarHBondContact O-ND1 3.38Å
5L79.1Confident82Confident122 Ų12277.3 Ų77.364%0.63940%0.402SS*.G310 helixtrans-92.811.5-174.6-61.6176.7000113.4
6H83.2Confident81.6Confident117 Ų11774.7 Ų74.754%0.54240%0.4SS..  trans46.157.9179.3-57.685.6000113.9L4 D8 R9L4-H6 VanDerWaalsContact C-N 3.34Å; L4-H6 PolarHBondContact O-ND1 3.38Å; H6-D8 PolarHBondContact O-N 3.35Å; H6-R9 HydrophobicContact CB-CG 4.27Å; H6-R9 PolarHBondContact O-N 2.94Å; H6-R9 VanDerWaalsContact O-N 3.12Å
7P82.1Confident81.2Confident36 Ų3680.8 Ų80.823%0.23443%0.426CS..G310 helixtrans-60-22.2-176.926.4-35.7000112.4A2 R9 V10 P23A2-P7 WeakPolarHBondContact O-CD 3.5Å; A2-P7 WeakPolarHBondContact O-CG 3.49Å; P7-R9 PolarHBondContact O-N 3Å; P7-R9 VanDerWaalsContact O-N 3.08Å; P7-V10 PolarHBondContact O-N 3.14Å; P7-P23 HydrophobicContact CB-CB 4.13Å; P7-P23 WeakPolarHBondContact O-CB 3.14Å
8D86.6Confident81.2Confident88 Ų8884.4 Ų84.447%0.47144%0.437SS..G310 helixtrans-67-5.7179-55.1-39.6000114H6 L11H6-D8 PolarHBondContact O-N 3.35Å; D8-L11 WeakPolarHBondContact O-CD2 3.33Å
9R89.6Confident81.5Confident111 Ų11187.4 Ų87.442%0.41944%0.442SS..G310 helixtrans-78.3-25.7172.6-68.8-170.2178.8-160.1-0.9113.7H6 P7 I318 L462 R463H6-R9 HydrophobicContact CB-CG 4.27Å; H6-R9 PolarHBondContact O-N 2.94Å; H6-R9 VanDerWaalsContact O-N 3.12Å; P7-R9 PolarHBondContact O-N 3Å; P7-R9 VanDerWaalsContact O-N 3.08Å; R9-I318 HydrophobicContact CB-CD1 4.26Å; R9-L462 CarbonylContact O-C 3.54Å; R9-R463 PolarHBondContact O-N 2.69Å
10V92Very high82Confident16 Ų1684.2 Ų84.210%0.09743%0.426CS..EExtended strand (participates in β ladder)trans-118109.2179.7-176.80000108.8P7 Y12 V316 I318 V460 E461 L462P7-V10 PolarHBondContact O-N 3.14Å; V10-Y12 HydrophobicContact CG1-CE2 3.95Å; V10-V316 HydrophobicContact CG1-CB 4.29Å; V10-I318 HydrophobicContact CG2-CD1 4.01Å; V10-I318 HydrophobicContact CG2-CG1 3.97Å; V10-V460 HydrophobicContact CG1-CG1 3.85Å; V10-E461 WeakPolarHBondContact CA-O 3.44Å; V10-L462 HydrophobicContact CB-CD2 4.09Å; V10-L462 HydrophobicContact CG1-CD2 3.68Å; V10-L462 HydrophobicContact CG2-CD2 3.55Å
11L93.7Very high82.4Confident11 Ų1183.3 Ų83.36%0.05842%0.418CS..EExtended strand (participates in β ladder)trans-113.1143-173.9-55179000110.3D8 R21 P23 V460 E461D8-L11 WeakPolarHBondContact O-CD2 3.33Å; L11-R21 HydrophobicContact CB-CB 4.16Å; L11-R21 HydrophobicContact CD1-CB 4.16Å; L11-P23 HydrophobicContact CD2-CB 4.34Å; L11-V460 WeakPolarHBondContact O-CA 2.97Å; L11-E461 HydrophobicContact CB-CB 4.44Å; L11-E461 PolarHBondContact N-O 3.17Å; L11-E461 PolarHBondContact O-N 3.23Å
12Y94.1Very high84.7Confident2 Ų274 Ų741%0.00837%0.373CS..EExtended strand (participates in β ladder)trans-111.8135.8176-72-110.1000108.8V10 A22 L24 I313 P314 V316 M429 H458 V460V10-Y12 HydrophobicContact CG1-CE2 3.95Å; Y12-A22 PolarHBondContact N-O 2.78Å; Y12-A22 PolarHBondContact O-N 2.84Å; Y12-L24 HydrophobicContact CD1-CD1 4.1Å; Y12-L24 HydrophobicContact CD2-CB 3.84Å; Y12-L24 HydrophobicContact CD2-CD1 4.09Å; Y12-L24 HydrophobicContact CD2-CG 4.49Å; Y12-L24 HydrophobicContact CE1-CD1 4.13Å; Y12-L24 HydrophobicContact CE2-CB 3.7Å; Y12-L24 HydrophobicContact CE2-CD1 4.15Å; Y12-L24 HydrophobicContact CE2-CD2 4.22Å; Y12-L24 HydrophobicContact CE2-CG 4.24Å; Y12-L24 HydrophobicContact CG-CD1 4.08Å; Y12-I313 HydrophobicContact CE1-CG2 4.31Å; Y12-P314 PolarHBondContact OH-O 3.05Å; Y12-P314 VanDerWaalsContact OH-O 3.1Å; Y12-V316 PolarHBondContact OH-N 3.19Å; Y12-M429 HydrophobicContact CE1-CE 4.01Å; Y12-H458 HydrophobicContact CD1-CB 4.23Å; Y12-V460 HydrophobicContact CD1-CG2 3.88Å; Y12-V460 HydrophobicContact CE1-CG2 3.66Å
13L92.5Very high86.2Confident10 Ų1071 Ų715%0.05235%0.348CS..EExtended strand (participates in β ladder)trans-78.3127.9176.9-173.667.3000110.6R15 R19 R21 D357 H459L13-R15 HydrophobicContact CD2-CG 4.33Å; L13-R19 HydrophobicContact CD1-CB 4.26Å; L13-R21 HydrophobicContact CD1-CG 3.91Å; L13-D357 HydrophobicContact CD2-CB 3.71Å; L13-D357 VanDerWaalsContact CD2-CG 3.43Å; L13-H459 HydrophobicContact CB-CB 3.83Å; L13-H459 HydrophobicContact CD2-CB 3.96Å; L13-H459 PolarHBondContact N-O 3.34Å
14V91.7Very high87Confident0 Ų066.3 Ų66.30%032%0.315CS..EExtended strand (participates in β ladder)trans-101.8119169.2178.90000109.1I20 L27 L36V14-I20 PolarHBondContact N-O 3Å; V14-I20 PolarHBondContact O-N 3.43Å; V14-L27 HydrophobicContact CG2-CD1 3.97Å; V14-L27 HydrophobicContact CG2-CD2 3.55Å; V14-L27 HydrophobicContact CG2-CG 4.42Å; V14-L36 WeakPolarHBondContact CG1-O 3.1Å; V14-L36 HydrophobicContact CG2-CD2 4.24Å; V14-L36 HydrophobicContact CG2-CG 4.03Å
15R82.8Confident87.7Confident134 Ų13462.7 Ų62.751%0.50630%0.301SS..EExtended strand (participates in β ladder)trans-88.7103.5173.5-65.9178.9172.4164.9-1.5109.3L13 D357L13-R15 HydrophobicContact CD2-CG 4.33Å; R15-D357 IonicContact CZ-OD2 3.35Å; R15-D357 VanDerWaalsContact CZ-OD2 3.3Å; R15-D357 IonicContact NE-OD2 3.63Å; R15-D357 PolarHBondContact NE-OD2 3.17Å; R15-D357 IonicContact NH2-OD2 3.63Å; R15-D357 PolarHBondContact NH2-OD2 3.46Å
16G74.8Confident88.3Confident36 Ų3661.9 Ų61.937%0.37129%0.294SS..SBendtrans-137.3-152.4175.600000111.6K18G16-K18 PolarHBondContact N-O 3Å; G16-K18 PolarHBondContact O-N 2.68Å
17Q74.4Confident88.9Confident179 Ų17956.3 Ų56.384%0.83627%0.268SS*.SBendtrans-61.9-31.5168.6-73.7177.7-14.400112
18K82.4Confident89.5Confident146 Ų14656.5 Ų56.564%0.63526%0.264SS*.SBendtrans-118.2144170.6-64.6-177.3178.8-176.30108G16 I20G16-K18 PolarHBondContact N-O 3Å; G16-K18 PolarHBondContact O-N 2.68Å; K18-I20 HydrophobicContact CB-CD1 4.26Å; K18-I20 HydrophobicContact CB-CG1 4.13Å
19R87.1Confident89.8Confident141 Ų14152.3 Ų52.353%0.53224%0.242SC..EExtended strand (participates in β ladder)trans-84.7116.7170.1-66.3-176.1-173178.58.5107.7L13 P356 D357L13-R19 HydrophobicContact CD1-CB 4.26Å; R19-P356 PolarHBondContact NH1-O 3.37Å; R19-D357 WeakPolarHBondContact CD-OD1 3.46Å; R19-D357 IonicContact CZ-OD1 3.46Å; R19-D357 IonicContact NE-OD1 3.4Å; R19-D357 PolarHBondContact NE-OD1 2.96Å; R19-D357 IonicContact NH1-OD1 2.71Å; R19-D357 PolarHBondContact NH1-OD1 3.32Å
20I90.8Very high89.9Confident22 Ų2247 Ų4711%0.11322%0.222CC..EExtended strand (participates in β ladder)trans-126.9135.3-175.1-61.3174.6000108.6V14 K18 E40V14-I20 PolarHBondContact N-O 3Å; V14-I20 PolarHBondContact O-N 3.43Å; K18-I20 HydrophobicContact CB-CD1 4.26Å; K18-I20 HydrophobicContact CB-CG1 4.13Å; I20-E40 HydrophobicContact CD1-CB 3.65Å; I20-E40 HydrophobicContact CD1-CG 4.28Å; I20-E40 VanDerWaalsContact CD1-OE2 3.31Å; I20-E40 WeakPolarHBondContact CD1-OE2 3.23Å
21R91.1Very high89.8Confident67 Ų6749.5 Ų49.525%0.25323%0.229SC..EExtended strand (participates in β ladder)trans-108.1120.9174.3-65.9170.8170.198.70.6108.2L11 L13 D357 E461L11-R21 HydrophobicContact CB-CB 4.16Å; L11-R21 HydrophobicContact CD1-CB 4.16Å; L13-R21 HydrophobicContact CD1-CG 3.91Å; R21-D357 PolarHBondContact NH2-O 3.43Å; R21-E461 WeakPolarHBondContact CD-OE2 3.47Å; R21-E461 IonicContact CZ-OE2 2.69Å; R21-E461 IonicContact NE-OE2 2.72Å; R21-E461 PolarHBondContact NE-OE2 3.03Å
22A93.3Very high89.6Confident11 Ų1154.6 Ų54.69%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-146.2154.5-178.700000110.4Y12 L27Y12-A22 PolarHBondContact N-O 2.78Å; Y12-A22 PolarHBondContact O-N 2.84Å; A22-L27 HydrophobicContact CB-CD2 3.82Å; A22-L27 HydrophobicContact CB-CG 4.28Å
23P94.3Very high89.3Confident6 Ų656.2 Ų56.24%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-66147.7177.828.7-36.6000111P7 L11 S25 Q26P7-P23 HydrophobicContact CB-CB 4.13Å; P7-P23 WeakPolarHBondContact O-CB 3.14Å; L11-P23 HydrophobicContact CD2-CB 4.34Å; P23-S25 PolarHBondContact O-N 3.38Å; P23-S25 VanDerWaalsContact O-N 3.08Å; P23-Q26 HydrophobicContact CG-CB 4.22Å; P23-Q26 HydrophobicContact CG-CG 3.82Å; P23-Q26 PolarHBondContact O-N 2.9Å
24L93.3Very high89.2Confident5 Ų557.1 Ų57.13%0.02627%0.267CS..G310 helixtrans-56.7-32.1-174.9-165.965.4000113.1Y12 Q26 L27 A309 I313 E315Y12-L24 HydrophobicContact CD1-CD1 4.1Å; Y12-L24 HydrophobicContact CD2-CB 3.84Å; Y12-L24 HydrophobicContact CD2-CD1 4.09Å; Y12-L24 HydrophobicContact CD2-CG 4.49Å; Y12-L24 HydrophobicContact CE1-CD1 4.13Å; Y12-L24 HydrophobicContact CE2-CB 3.7Å; Y12-L24 HydrophobicContact CE2-CD1 4.15Å; Y12-L24 HydrophobicContact CE2-CD2 4.22Å; Y12-L24 HydrophobicContact CE2-CG 4.24Å; Y12-L24 HydrophobicContact CG-CD1 4.08Å; L24-Q26 PolarHBondContact O-N 2.88Å; L24-L27 PolarHBondContact O-N 3.31Å; L24-L27 VanDerWaalsContact O-N 3.15Å; L24-A309 HydrophobicContact CD1-CB 3.63Å; L24-A309 HydrophobicContact CG-CB 4.16Å; L24-I313 HydrophobicContact CD1-CB 4.3Å; L24-I313 HydrophobicContact CD1-CD1 4.41Å; L24-I313 HydrophobicContact CD1-CG2 4.39Å; L24-E315 HydrophobicContact CD2-CB 3.85Å; L24-E315 HydrophobicContact CD2-CG 3.91Å
25S92.2Very high89.1Confident57 Ų5760.1 Ų60.140%0.39928%0.281SS..G310 helixtrans-65.1-21.1178.360.70000114.4P23P23-S25 PolarHBondContact O-N 3.38Å; P23-S25 VanDerWaalsContact O-N 3.08Å
26Q92.8Very high89.5Confident104 Ų10454.3 Ų54.349%0.48626%0.26SS..G310 helixtrans-98.4-5.5177.5-64.2-179.921.200112.8P23 L24P23-Q26 HydrophobicContact CG-CB 4.22Å; P23-Q26 HydrophobicContact CG-CG 3.82Å; P23-Q26 PolarHBondContact O-N 2.9Å; L24-Q26 PolarHBondContact O-N 2.88Å
27L94.7Very high90.5Very high0 Ų052.9 Ų52.90%024%0.243CC..  trans-94.8156.1-177.2-63.6-178.2000111.7V14 A22 L24 L36 S38 A309V14-L27 HydrophobicContact CG2-CD1 3.97Å; V14-L27 HydrophobicContact CG2-CD2 3.55Å; V14-L27 HydrophobicContact CG2-CG 4.42Å; A22-L27 HydrophobicContact CB-CD2 3.82Å; A22-L27 HydrophobicContact CB-CG 4.28Å; L24-L27 PolarHBondContact O-N 3.31Å; L24-L27 VanDerWaalsContact O-N 3.15Å; L27-L36 HydrophobicContact CB-CD1 3.76Å; L27-L36 HydrophobicContact CB-CG 4.31Å; L27-L36 HydrophobicContact CD1-CD1 4.14Å; L27-L36 HydrophobicContact CD1-CD2 3.6Å; L27-L36 HydrophobicContact CD1-CG 3.93Å; L27-S38 VanDerWaalsContact CD2-CA 3.49Å; L27-A309 HydrophobicContact CB-CB 3.74Å; L27-A309 VanDerWaalsContact O-CB 3.32Å; L27-A309 WeakPolarHBondContact O-CB 3.23Å; L27-A309 PolarHBondContact O-N 3.38Å
28Y95Very high91.4Very high40 Ų4044.5 Ų44.516%0.15721%0.205CC..EExtended strand (participates in β ladder)trans-120.8142177.9-59.9-82.6000109.5L36 R37 L39 L282 L307 V308Y28-L36 WeakPolarHBondContact O-CD1 3.34Å; Y28-R37 PolarHBondContact N-O 2.93Å; Y28-R37 PolarHBondContact O-N 2.97Å; Y28-L39 HydrophobicContact CE2-CD1 4.03Å; Y28-L282 HydrophobicContact CD1-CD1 4.49Å; Y28-L282 HydrophobicContact CD2-CD1 4.12Å; Y28-L282 HydrophobicContact CE1-CD1 3.85Å; Y28-L282 HydrophobicContact CE2-CD1 3.41Å; Y28-L282 VanDerWaalsContact CE2-CD1 3.41Å; Y28-L282 VanDerWaalsContact OH-CD1 3.32Å; Y28-L282 WeakPolarHBondContact OH-CD1 3.44Å; Y28-L307 WeakPolarHBondContact CA-O 3.43Å; Y28-L307 WeakPolarHBondContact CB-O 3.31Å; Y28-V308 HydrophobicContact CD1-CG2 4.32Å; Y28-V308 HydrophobicContact CE1-CG2 4.17Å
29F93.9Very high91.8Very high0 Ų040.4 Ų40.40%019%0.189CC..EExtended strand (participates in β ladder)trans-109118.5178.2178.8-104.5000110.4R31 L307 A309 Y312 I313 F433 L456F29-R31 HydrophobicContact CD1-CG 4.02Å; F29-R31 HydrophobicContact CE1-CG 4Å; F29-R31 PolarHBondContact O-N 3.36Å; F29-L307 PolarHBondContact N-O 3.12Å; F29-L307 WeakPolarHBondContact O-CB 3.36Å; F29-A309 HydrophobicContact CB-CB 4.39Å; F29-Y312 HydrophobicContact CB-CD2 4.12Å; F29-Y312 HydrophobicContact CB-CG 4.48Å; F29-Y312 HydrophobicContact CD1-CD1 4.35Å; F29-Y312 AromaticContact CD1-CD2 4Å; F29-Y312 HydrophobicContact CD1-CD2 4Å; F29-Y312 AromaticContact CD1-CG 3.73Å; F29-Y312 HydrophobicContact CD1-CG 3.73Å; F29-Y312 HydrophobicContact CE1-CG 4.46Å; F29-Y312 HydrophobicContact CG-CG 4.44Å; F29-I313 HydrophobicContact CD2-CD1 3.95Å; F29-I313 HydrophobicContact CD2-CG1 4.26Å; F29-I313 HydrophobicContact CG-CD1 4.49Å; F29-F433 HydrophobicContact CD1-CE2 4.46Å; F29-F433 HydrophobicContact CD1-CZ 4.46Å; F29-F433 HydrophobicContact CE1-CD1 4.41Å; F29-F433 HydrophobicContact CE1-CD2 4.2Å; F29-F433 AromaticContact CE1-CE1 3.8Å; F29-F433 HydrophobicContact CE1-CE1 3.8Å; F29-F433 AromaticContact CE1-CE2 3.57Å; F29-F433 HydrophobicContact CE1-CE2 3.57Å; F29-F433 AromaticContact CE1-CZ 3.37Å; F29-F433 HydrophobicContact CE1-CZ 3.37Å; F29-F433 HydrophobicContact CZ-CD1 4.09Å; F29-F433 HydrophobicContact CZ-CD2 4.25Å; F29-F433 AromaticContact CZ-CE1 3.87Å; F29-F433 HydrophobicContact CZ-CE1 3.87Å; F29-F433 HydrophobicContact CZ-CE2 4.06Å; F29-F433 HydrophobicContact CZ-CG 4.3Å; F29-F433 AromaticContact CZ-CZ 3.89Å; F29-F433 HydrophobicContact CZ-CZ 3.89Å; F29-L456 HydrophobicContact CE2-CD1 3.73Å; F29-L456 HydrophobicContact CZ-CD1 3.69Å
30C92.1Very high92Very high0 Ų039.8 Ų39.80%019%0.192CC..EExtended strand (participates in β ladder)trans-88.3102.2179.5-173.60000110.6Y32 C33 S34 E35 C287 L291C30-Y32 PolarHBondContact O-N 2.93Å; C30-Y32 VanDerWaalsContact O-N 3.16Å; C30-C33 WeakPolarHBondContact CB-SG 3.24Å; C30-C33 PolarHBondContact O-N 2.88Å; C30-C33 PolarHBondContact SG-SG 2.97Å; C30-S34 VanDerWaalsContact O-CA 3.3Å; C30-S34 WeakPolarHBondContact O-CA 3.5Å; C30-S34 PolarHBondContact O-N 3.33Å; C30-E35 WeakPolarHBondContact CB-O 3.43Å; C30-E35 PolarHBondContact N-O 3.16Å; C30-E35 PolarHBondContact O-N 2.79Å; C30-C287 PolarHBondContact SG-SG 3.14Å; C30-L291 HydrophobicContact CB-CD2 3.68Å
31R89.4Confident91.9Very high68 Ų6839.6 Ų39.626%0.25719%0.193SC..THydrogen-bonded Turntrans-61-22.5178.5-60.4-171.7-66.4172.6-0.4114.7F29 L307 Y312 F433 N435F29-R31 HydrophobicContact CD1-CG 4.02Å; F29-R31 HydrophobicContact CE1-CG 4Å; F29-R31 PolarHBondContact O-N 3.36Å; R31-L307 HydrophobicContact CG-CD2 4.38Å; R31-Y312 HydrophobicContact CG-CE1 4.24Å; R31-F433 HydrophobicContact CG-CZ 4.49Å; R31-N435 PolarHBondContact O-ND2 2.73Å
32Y88.3Confident92Very high119 Ų11936.4 Ų36.447%0.46718%0.181SC..THydrogen-bonded Turntrans-80.9-32.8-177.1-67.5-87.1000113.3C30 H289C30-Y32 PolarHBondContact O-N 2.93Å; C30-Y32 VanDerWaalsContact O-N 3.16Å; Y32-H289 AromaticContact CD1-CD2 3.63Å; Y32-H289 AromaticContact CD1-CE1 3.84Å; Y32-H289 AromaticContact CD1-CG 3.97Å; Y32-H289 AromaticContact CD1-NE2 3.55Å; Y32-H289 HydrophobicContact CD2-CB 3.57Å; Y32-H289 AromaticContact CD2-CD2 3.64Å; Y32-H289 AromaticContact CD2-CG 3.53Å; Y32-H289 AromaticContact CE1-CD2 3.35Å; Y32-H289 WeakPolarHBondContact CE1-CD2 3.22Å; Y32-H289 AromaticContact CE1-NE2 3.37Å; Y32-H289 WeakPolarHBondContact CE1-NE2 3.32Å; Y32-H289 HydrophobicContact CE2-CB 3.8Å; Y32-H289 AromaticContact CE2-CD2 3.37Å; Y32-H289 WeakPolarHBondContact CE2-CD2 3.4Å; Y32-H289 AromaticContact CE2-CG 3.7Å; Y32-H289 HydrophobicContact CG-CB 4.15Å; Y32-H289 AromaticContact CG-CD2 3.76Å; Y32-H289 AromaticContact CG-CG 3.67Å; Y32-H289 AromaticContact CG-ND1 3.93Å; Y32-H289 AromaticContact CZ-CD2 3.21Å; Y32-H289 AromaticContact CZ-CG 4Å; Y32-H289 AromaticContact CZ-NE2 3.75Å
33C88.4Confident92Very high35 Ų3537.7 Ų37.724%0.23619%0.189CC..THydrogen-bonded Turntrans-111.61.9177.7680000112.7C30 E35C30-C33 WeakPolarHBondContact CB-SG 3.24Å; C30-C33 PolarHBondContact O-N 2.88Å; C30-C33 PolarHBondContact SG-SG 2.97Å; C33-E35 PolarHBondContact O-N 2.84Å
34S89.8Confident92Very high29 Ų2941.6 Ų41.620%0.20321%0.207CC..THydrogen-bonded Turntrans48.639.4-175.6-530000114C30C30-S34 VanDerWaalsContact O-CA 3.3Å; C30-S34 WeakPolarHBondContact O-CA 3.5Å; C30-S34 PolarHBondContact O-N 3.33Å
35E89.8Confident92.1Very high64 Ų6444.9 Ų44.930%0.29922%0.222SC..EExtended strand (participates in β ladder)trans-125.6144.3179.7-72.2178.9-154.800111.7C30 C33 R37 K286C30-E35 WeakPolarHBondContact CB-O 3.43Å; C30-E35 PolarHBondContact N-O 3.16Å; C30-E35 PolarHBondContact O-N 2.79Å; C33-E35 PolarHBondContact O-N 2.84Å; E35-R37 IonicContact OE2-CZ 3.74Å; E35-R37 IonicContact OE2-NH1 3.36Å; E35-R37 PolarHBondContact OE2-NH1 2.96Å; E35-R37 IonicContact OE2-NH2 2.75Å; E35-R37 PolarHBondContact OE2-NH2 2.95Å; E35-K286 IonicContact OE1-NZ 2.75Å; E35-K286 PolarHBondContact OE1-NZ 3.17Å; E35-K286 VanDerWaalsContact OE2-CE 3.24Å; E35-K286 WeakPolarHBondContact OE2-CE 3.45Å; E35-K286 IonicContact OE2-NZ 3.25Å; E35-K286 PolarHBondContact OE2-NZ 3.03Å
36L92.9Very high92.1Very high11 Ų1145.9 Ų45.96%0.05823%0.225CC..EExtended strand (participates in β ladder)trans-73.6144.6172.4-166.857.5000110.6V14 L27 Y28 A309 I313V14-L36 WeakPolarHBondContact CG1-O 3.1Å; V14-L36 HydrophobicContact CG2-CD2 4.24Å; V14-L36 HydrophobicContact CG2-CG 4.03Å; L27-L36 HydrophobicContact CB-CD1 3.76Å; L27-L36 HydrophobicContact CB-CG 4.31Å; L27-L36 HydrophobicContact CD1-CD1 4.14Å; L27-L36 HydrophobicContact CD1-CD2 3.6Å; L27-L36 HydrophobicContact CD1-CG 3.93Å; Y28-L36 WeakPolarHBondContact O-CD1 3.34Å; L36-A309 HydrophobicContact CD1-CB 3.5Å; L36-I313 HydrophobicContact CD1-CD1 3.54Å; L36-I313 HydrophobicContact CD2-CD1 4.26Å; L36-I313 HydrophobicContact CG-CD1 4.34Å
37R93.8Very high92Very high6 Ų642.9 Ų42.92%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-136.9137.4-178.6-64.6-66.5-178.8-120.2-9.7110.8Y28 E35 V42 L291Y28-R37 PolarHBondContact N-O 2.93Å; Y28-R37 PolarHBondContact O-N 2.97Å; E35-R37 IonicContact OE2-CZ 3.74Å; E35-R37 IonicContact OE2-NH1 3.36Å; E35-R37 PolarHBondContact OE2-NH1 2.96Å; E35-R37 IonicContact OE2-NH2 2.75Å; E35-R37 PolarHBondContact OE2-NH2 2.95Å; R37-V42 HydrophobicContact CB-CG1 3.81Å; R37-V42 HydrophobicContact CG-CG1 4.42Å; R37-L291 HydrophobicContact CB-CD1 4.35Å; R37-L291 HydrophobicContact CG-CD1 4.4Å
38S93.8Very high91.9Very high4 Ų443 Ų433%0.02821%0.213CC..  trans-90164.2169.472.60000111.2L27 E40 C41 V42L27-S38 VanDerWaalsContact CD2-CA 3.49Å; S38-E40 PolarHBondContact O-N 3.33Å; S38-E40 VanDerWaalsContact O-N 3.17Å; S38-E40 PolarHBondContact OG-N 3.27Å; S38-C41 PolarHBondContact O-N 2.65Å; S38-C41 VanDerWaalsContact O-N 3.1Å; S38-C41 PolarHBondContact OG-N 3.47Å; S38-C41 PolarHBondContact OG-SG 2.57Å; S38-V42 WeakPolarHBondContact O-CG1 3.19Å; S38-V42 PolarHBondContact O-N 2.85Å
39L91.7Very high91.9Very high59 Ų5942.2 Ų42.231%0.30921%0.211SC..THydrogen-bonded Turntrans-58.3-25174.7-17064000113Y28 V42 H44 L282Y28-L39 HydrophobicContact CE2-CD1 4.03Å; L39-V42 HydrophobicContact CD1-CG2 4.48Å; L39-V42 VanDerWaalsContact O-CG2 3.24Å; L39-V42 WeakPolarHBondContact O-CG2 3.4Å; L39-H44 VanDerWaalsContact CD1-CE1 3.46Å; L39-H44 WeakPolarHBondContact CD1-CE1 3.28Å; L39-H44 PolarHBondContact O-NE2 3.14Å; L39-L282 HydrophobicContact CD1-CD1 3.73Å; L39-L282 HydrophobicContact CD1-CD2 4.01Å
40E90.1Very high91.9Very high128 Ų12844.5 Ų44.560%0.59822%0.22SC*.THydrogen-bonded Turntrans-84-30.3176.9-63.5-177.5-157.700113.1I20 S38 V42 R285I20-E40 HydrophobicContact CD1-CB 3.65Å; I20-E40 HydrophobicContact CD1-CG 4.28Å; I20-E40 VanDerWaalsContact CD1-OE2 3.31Å; I20-E40 WeakPolarHBondContact CD1-OE2 3.23Å; S38-E40 PolarHBondContact O-N 3.33Å; S38-E40 VanDerWaalsContact O-N 3.17Å; S38-E40 PolarHBondContact OG-N 3.27Å; E40-V42 VanDerWaalsContact C-N 3.33Å; E40-R285 PolarHBondContact O-NH2 2.8Å
41C90.1Very high92.1Very high18 Ų1844.6 Ų44.612%0.12222%0.221CC..THydrogen-bonded Turntrans-79-15.9-179.9-670000113.5S38 R285S38-C41 PolarHBondContact O-N 2.65Å; S38-C41 VanDerWaalsContact O-N 3.1Å; S38-C41 PolarHBondContact OG-N 3.47Å; S38-C41 PolarHBondContact OG-SG 2.57Å; C41-R285 VanDerWaalsContact O-CD 3.25Å; C41-R285 WeakPolarHBondContact O-CD 3.46Å; C41-R285 WeakPolarHBondContact O-CG 3.31Å; C41-R285 PolarHBondContact O-NE 3.19Å
42V92.5Very high92.3Very high0 Ų043.8 Ų43.80%023%0.225CC..SBendtrans-87.5163.8179.7-62.80000111.7R37 S38 L39 E40 L282 R283 R285 L291R37-V42 HydrophobicContact CB-CG1 3.81Å; R37-V42 HydrophobicContact CG-CG1 4.42Å; S38-V42 WeakPolarHBondContact O-CG1 3.19Å; S38-V42 PolarHBondContact O-N 2.85Å; L39-V42 HydrophobicContact CD1-CG2 4.48Å; L39-V42 VanDerWaalsContact O-CG2 3.24Å; L39-V42 WeakPolarHBondContact O-CG2 3.4Å; E40-V42 VanDerWaalsContact C-N 3.33Å; V42-L282 HydrophobicContact CG2-CB 4.36Å; V42-L282 HydrophobicContact CG2-CD1 4.39Å; V42-L282 HydrophobicContact CG2-CD2 4Å; V42-L282 HydrophobicContact CG2-CG 4.49Å; V42-R283 WeakPolarHBondContact CB-O 3.37Å; V42-R285 PolarHBondContact O-NE 3.29Å; V42-R285 PolarHBondContact O-NH2 3.11Å; V42-L291 HydrophobicContact CB-CD1 4.44Å; V42-L291 HydrophobicContact CG1-CD1 3.41Å; V42-L291 VanDerWaalsContact CG1-CD1 3.41Å
43S93.6Very high92.6Very high38 Ų3840.9 Ų40.927%0.26622%0.221SC..EExtended strand (participates in β ladder)trans-9013816646.60000109.8L282 R283S43-L282 WeakPolarHBondContact O-CA 3.45Å; S43-R283 PolarHBondContact N-O 2.82Å; S43-R283 PolarHBondContact O-N 2.51Å; S43-R283 WeakPolarHBondContact OG-CB 3.19Å; S43-R283 PolarHBondContact OG-O 2.7Å; S43-R283 VanDerWaalsContact OG-O 3.13Å
44H94.9Very high92.8Very high88 Ų8841.8 Ų41.841%0.40723%0.228SC..EExtended strand (participates in β ladder)trans-101.2129.4178.4-68.4-113.7000108.9L39L39-H44 VanDerWaalsContact CD1-CE1 3.46Å; L39-H44 WeakPolarHBondContact CD1-CE1 3.28Å; L39-H44 PolarHBondContact O-NE2 3.14Å
45E93.6Very high92.9Very high74 Ų7443.9 Ų43.935%0.34624%0.236SC..EExtended strand (participates in β ladder)trans-120.2148.7174.6-66.7-176.1172.400110.1R280 S281 R283E45-R280 WeakPolarHBondContact O-CA 3.48Å; E45-S281 PolarHBondContact N-O 3.03Å; E45-S281 PolarHBondContact O-N 2.82Å; E45-R283 WeakPolarHBondContact OE1-CD 3.44Å; E45-R283 IonicContact OE1-CZ 3.88Å; E45-R283 IonicContact OE1-NE 2.7Å; E45-R283 PolarHBondContact OE1-NE 3.04Å; E45-R283 IonicContact OE2-CZ 2.9Å; E45-R283 IonicContact OE2-NE 3.09Å; E45-R283 PolarHBondContact OE2-NE 2.8Å; E45-R283 IonicContact OE2-NH2 3.62Å; E45-R283 PolarHBondContact OE2-NH2 3.47Å
46V93.3Very high93.1Very high78 Ų7845.3 Ų45.347%0.47324%0.243SC..EExtended strand (participates in β ladder)trans-89.4116.2173.8-178.70000108M278V46-M278 HydrophobicContact CG1-CB 4.2Å; V46-M278 HydrophobicContact CG2-SD 3.83Å
47D90.9Very high93.1Very high41 Ų4146.2 Ų46.222%0.21925%0.248CC..EExtended strand (participates in β ladder)trans-93.7-44.6-178.4-162.958.7000111.7K279 K293D47-K279 PolarHBondContact N-O 2.87Å; D47-K293 WeakPolarHBondContact OD1-CE 3.3Å; D47-K293 IonicContact OD1-NZ 3.67Å; D47-K293 PolarHBondContact OD1-NZ 2.8Å; D47-K293 IonicContact OD2-NZ 2.63Å
48S91.6Very high93Very high2 Ų246.2 Ų46.21%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-156.8160.2178.251.20000112.5M278 K279S48-M278 CarbonylContact O-C 3.56Å; S48-M278 VanDerWaalsContact O-CA 3.3Å; S48-M278 WeakPolarHBondContact O-CA 3.36Å; S48-K279 PolarHBondContact O-N 2.74Å
49H94.4Very high93Very high24 Ų2449.6 Ų49.611%0.11127%0.27CS..EExtended strand (participates in β ladder)trans-109.8140.8175.2-56.2-81.2000109.5N57 M58 A63 L276 L277H49-N57 CarbonylContact O-C 3.58Å; H49-N57 WeakPolarHBondContact O-CA 3.29Å; H49-N57 PolarHBondContact O-OD1 2.83Å; H49-M58 PolarHBondContact O-N 2.82Å; H49-A63 HydrophobicContact CB-CB 4.29Å; H49-L276 HydrophobicContact CB-CD1 4.22Å; H49-L277 CarbonylContact C-O 3.54Å; H49-L277 VanDerWaalsContact CA-O 3.3Å; H49-L277 WeakPolarHBondContact CA-O 3.42Å
50Y95.2Very high93Very high48 Ų4850 Ų5019%0.18828%0.278CS..EExtended strand (participates in β ladder)trans-146.7153.317671.2-79.6000111.9E56 L277 K279 P298Y50-E56 WeakPolarHBondContact CA-O 3.13Å; Y50-E56 WeakPolarHBondContact CB-O 3.35Å; Y50-L277 HydrophobicContact CD1-CB 4.34Å; Y50-L277 HydrophobicContact CE1-CB 3.81Å; Y50-L277 HydrophobicContact CE2-CB 4.31Å; Y50-L277 HydrophobicContact CE2-CD1 4.45Å; Y50-L277 PolarHBondContact N-O 3.4Å; Y50-L277 PolarHBondContact O-N 3.31Å; Y50-K279 HydrophobicContact CD1-CG 3.98Å; Y50-K279 HydrophobicContact CE1-CG 3.78Å; Y50-P298 HydrophobicContact CD2-CB 3.83Å; Y50-P298 HydrophobicContact CD2-CG 4.39Å; Y50-P298 HydrophobicContact CG-CB 4Å; Y50-P298 HydrophobicContact CG-CG 4.1Å
51C95.2Very high93.2Very high2 Ų247.7 Ų47.71%0.01428%0.281CS..  trans-82.9128.5173.6179.80000110S53 C54 L55 E56 C70 L276C51-S53 PolarHBondContact O-N 2.79Å; C51-S53 PolarHBondContact SG-N 2.91Å; C51-C54 WeakPolarHBondContact CB-SG 3.2Å; C51-L55 WeakPolarHBondContact O-CA 3.28Å; C51-L55 PolarHBondContact O-N 2.8Å; C51-E56 PolarHBondContact N-O 2.77Å; C51-C70 HydrophobicContact CB-CB 4.03Å; C51-L276 HydrophobicContact CB-CD2 3.98Å
52P94.6Very high93.4Very high52 Ų5250.3 Ų50.334%0.33829%0.291SS..THydrogen-bonded Turntrans-70.9-11.9178.927.9-33.9000113.7K274 L277P52-K274 HydrophobicContact CG-CD 4.28Å; P52-L277 HydrophobicContact CB-CD1 3.77Å; P52-L277 HydrophobicContact CB-CG 4.19Å; P52-L277 HydrophobicContact CG-CD1 4.13Å; P52-L277 HydrophobicContact CG-CG 4.04Å
53S93.6Very high93.5Very high57 Ų5750.3 Ų50.340%0.39929%0.291SS..THydrogen-bonded Turntrans-97.1-52.7179-170.80000113.5C51 T82C51-S53 PolarHBondContact O-N 2.79Å; C51-S53 PolarHBondContact SG-N 2.91Å; S53-T82 WeakPolarHBondContact OG-CG2 3.42Å
54C92.6Very high93.5Very high55 Ų5556.8 Ų56.837%0.37232%0.315SS..THydrogen-bonded Turntrans-89-7.6179.361.50000113.2C51 E56C51-C54 WeakPolarHBondContact CB-SG 3.2Å; C54-E56 PolarHBondContact O-N 2.9Å; C54-E56 VanDerWaalsContact O-N 3.07Å; C54-E56 VanDerWaalsContact SG-CB 3.54Å
55L93.7Very high93.4Very high73 Ų7359.7 Ų59.738%0.38233%0.332SS..  trans55.424.8-178.7-55178.9000113.4C51 P298 T299C51-L55 WeakPolarHBondContact O-CA 3.28Å; C51-L55 PolarHBondContact O-N 2.8Å; L55-P298 HydrophobicContact CB-CB 4.23Å; L55-P298 WeakPolarHBondContact O-CB 3.49Å; L55-P298 VanDerWaalsContact O-CG 3.26Å; L55-P298 WeakPolarHBondContact O-CG 3.34Å; L55-T299 HydrophobicContact CB-CG2 4.26Å; L55-T299 HydrophobicContact CD1-CG2 3.72Å
56E92.1Very high93.3Very high94 Ų9459.8 Ų59.844%0.43933%0.332SS..  trans-82131.9175.3-170175.3-172.400109.5Y50 C51 C54Y50-E56 WeakPolarHBondContact CA-O 3.13Å; Y50-E56 WeakPolarHBondContact CB-O 3.35Å; C51-E56 PolarHBondContact N-O 2.77Å; C54-E56 PolarHBondContact O-N 2.9Å; C54-E56 VanDerWaalsContact O-N 3.07Å; C54-E56 VanDerWaalsContact SG-CB 3.54Å
57N92.9Very high93.3Very high29 Ų2963.8 Ų63.816%0.15534%0.343CS..EExtended strand (participates in β ladder)trans-86.7134.5174.9-163.3-39.7000109.5H49 F296 P298H49-N57 CarbonylContact O-C 3.58Å; H49-N57 WeakPolarHBondContact O-CA 3.29Å; H49-N57 PolarHBondContact O-OD1 2.83Å; N57-F296 HydrophobicContact CB-CD1 4.44Å; N57-F296 HydrophobicContact CB-CE1 3.8Å; N57-F296 HydrophobicContact CB-CZ 4.01Å; N57-F296 WeakPolarHBondContact ND2-CD1 2.96Å; N57-F296 WeakPolarHBondContact ND2-CD2 3.37Å; N57-F296 WeakPolarHBondContact ND2-CE1 3.34Å; N57-F296 WeakPolarHBondContact ND2-CE2 3.42Å; N57-F296 WeakPolarHBondContact ND2-CG 3.49Å; N57-F296 WeakPolarHBondContact ND2-CZ 3.08Å; N57-F296 PolarHBondContact ND2-O 2.75Å; N57-F296 WeakPolarHBondContact OD1-CE2 3.29Å; N57-F296 WeakPolarHBondContact OD1-CZ 3.28Å; N57-P298 HydrophobicContact CB-CG 3.95Å
58M92.7Very high93.5Very high7 Ų765.2 Ų65.23%0.03435%0.35CS..EExtended strand (participates in β ladder)trans-116.8130.6179.2-68.6-137.2-61.100111.3H49 E62 K66 R69 L276H49-M58 PolarHBondContact O-N 2.82Å; M58-E62 HydrophobicContact SD-CG 4.32Å; M58-K66 HydrophobicContact CE-CD 4.25Å; M58-K66 HydrophobicContact SD-CD 4.4Å; M58-R69 WeakPolarHBondContact CE-O 3.29Å; M58-L276 HydrophobicContact CE-CD1 3.17Å; M58-L276 HydrophobicContact CE-CD2 3.88Å; M58-L276 HydrophobicContact CE-CG 4.03Å
59P92.9Very high93.6Very high74 Ų7467.3 Ų67.348%0.48136%0.358SS..  trans-59.1148.4171.5-2232.8000112.3A61 E62 A63P59-A61 VanDerWaalsContact C-N 3.29Å; P59-A61 PolarHBondContact O-N 2.66Å; P59-E62 PolarHBondContact O-N 3.1Å; P59-E62 VanDerWaalsContact O-N 3.12Å; P59-A63 PolarHBondContact O-N 3.41Å
60S92.5Very high93.5Very high68 Ų6866.3 Ų66.348%0.47635%0.353SS..Hα-helixtrans-61.6-33.2-175.5-46.90000114K64S60-K64 WeakPolarHBondContact O-CB 3.5Å; S60-K64 PolarHBondContact O-N 3.08Å
61A94Very high93.2Very high80 Ų8065.8 Ų65.866%0.66136%0.359SS*.Hα-helixtrans-65.8-42.4176.500000111.8P59 K64 L65P59-A61 VanDerWaalsContact C-N 3.29Å; P59-A61 PolarHBondContact O-N 2.66Å; A61-K64 PolarHBondContact O-N 2.97Å; A61-L65 PolarHBondContact O-N 2.82Å
62E94.4Very high93Very high72 Ų7269.4 Ų69.434%0.33638%0.378SS..Hα-helixtrans-70-42.2176.8-176.4175.9178.500111.4M58 P59 K64 L65 K66M58-E62 HydrophobicContact SD-CG 4.32Å; P59-E62 PolarHBondContact O-N 3.1Å; P59-E62 VanDerWaalsContact O-N 3.12Å; E62-K64 VanDerWaalsContact C-N 3.28Å; E62-K64 PolarHBondContact O-N 3.22Å; E62-L65 PolarHBondContact O-N 2.87Å; E62-K66 HydrophobicContact CG-CD 4.05Å; E62-K66 WeakPolarHBondContact O-CB 3.49Å; E62-K66 PolarHBondContact O-N 3.4Å; E62-K66 WeakPolarHBondContact OE1-CE 3.42Å; E62-K66 IonicContact OE1-NZ 2.96Å; E62-K66 PolarHBondContact OE1-NZ 3.17Å
63A93.8Very high92.9Very high0 Ų067.7 Ų67.70%037%0.367CS..Hα-helixtrans-57.4-42.8173.700000111.2H49 P59 K66 K67 N68 L276H49-A63 HydrophobicContact CB-CB 4.29Å; P59-A63 PolarHBondContact O-N 3.41Å; A63-K66 CarbonylContact O-C 3.47Å; A63-K66 PolarHBondContact O-N 2.75Å; A63-K67 PolarHBondContact O-N 2.88Å; A63-K67 VanDerWaalsContact O-N 3.09Å; A63-N68 PolarHBondContact O-N 2.96Å; A63-L276 HydrophobicContact CB-CD1 4.08Å
64K94.4Very high93Very high175 Ų17565.4 Ų65.476%0.76135%0.35SS*.Hα-helixtrans-61.5-45.9175.1-175.1-179.4178.6-1770112.1S60 A61 E62 K67S60-K64 WeakPolarHBondContact O-CB 3.5Å; S60-K64 PolarHBondContact O-N 3.08Å; A61-K64 PolarHBondContact O-N 2.97Å; E62-K64 VanDerWaalsContact C-N 3.28Å; E62-K64 PolarHBondContact O-N 3.22Å; K64-K67 PolarHBondContact O-N 3.44Å
65L93.1Very high93.1Very high148 Ų14864.5 Ų64.578%0.77534%0.341SS*.Hα-helixtrans-62.5-42.7178.5-176.267000111.6A61 E62 K67A61-L65 PolarHBondContact O-N 2.82Å; E62-L65 PolarHBondContact O-N 2.87Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 2.98Å
66K91.7Very high93.1Very high77 Ų7761 Ų6134%0.33532%0.323SS..THydrogen-bonded Turntrans-86.216.6179.2-66.4-179176.3171.40113.8M58 E62 A63 N68 R69 A71M58-K66 HydrophobicContact CE-CD 4.25Å; M58-K66 HydrophobicContact SD-CD 4.4Å; E62-K66 HydrophobicContact CG-CD 4.05Å; E62-K66 WeakPolarHBondContact O-CB 3.49Å; E62-K66 PolarHBondContact O-N 3.4Å; E62-K66 WeakPolarHBondContact OE1-CE 3.42Å; E62-K66 IonicContact OE1-NZ 2.96Å; E62-K66 PolarHBondContact OE1-NZ 3.17Å; A63-K66 CarbonylContact O-C 3.47Å; A63-K66 PolarHBondContact O-N 2.75Å; K66-N68 VanDerWaalsContact C-N 3.28Å; K66-N68 PolarHBondContact O-N 3.37Å; K66-R69 WeakPolarHBondContact O-CB 3.34Å; K66-R69 PolarHBondContact O-N 3.22Å; K66-A71 HydrophobicContact CD-CB 4.26Å
67K93.1Very high93.1Very high162 Ų16257 Ų5770%0.70431%0.306SS*.THydrogen-bonded Turntrans52.640.2177.4-56.3177.9-179.51760113.9A63 K64 L65 R69A63-K67 PolarHBondContact O-N 2.88Å; A63-K67 VanDerWaalsContact O-N 3.09Å; K64-K67 PolarHBondContact O-N 3.44Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 2.98Å; K67-R69 VanDerWaalsContact C-N 3.29Å; K67-R69 PolarHBondContact O-N 2.93Å
68N95.1Very high92.9Very high70 Ų7057.8 Ų57.837%0.37431%0.312SS..THydrogen-bonded Turntrans58.733.3-177-57.3-42000114.3A63 K66 L276A63-N68 PolarHBondContact O-N 2.96Å; K66-N68 VanDerWaalsContact C-N 3.28Å; K66-N68 PolarHBondContact O-N 3.37Å; N68-L276 WeakPolarHBondContact O-CB 3.49Å; N68-L276 WeakPolarHBondContact O-CG 3.45Å; N68-L276 PolarHBondContact O-N 2.64Å
69R93.6Very high92.9Very high46 Ų4659.2 Ų59.217%0.17432%0.323CS..EExtended strand (participates in β ladder)trans-118.5150.2177.6-55-57.4-173.987.73.7112.8M58 K66 K67 H273 K274M58-R69 WeakPolarHBondContact CE-O 3.29Å; K66-R69 WeakPolarHBondContact O-CB 3.34Å; K66-R69 PolarHBondContact O-N 3.22Å; K67-R69 VanDerWaalsContact C-N 3.29Å; K67-R69 PolarHBondContact O-N 2.93Å; R69-H273 HydrophobicContact CB-CB 3.58Å; R69-H273 WeakPolarHBondContact CD-O 3.24Å; R69-H273 HydrophobicContact CG-CB 4.17Å; R69-H273 PolarHBondContact NH1-O 3.21Å; R69-K274 WeakPolarHBondContact CA-O 3.44Å
70C93.2Very high92.8Very high3 Ų358.4 Ų58.42%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-78.8133.1172.6-179.80000110.6C51 N72 C73 H273 K274 L276C51-C70 HydrophobicContact CB-CB 4.03Å; C70-N72 VanDerWaalsContact C-N 3.35Å; C70-N72 PolarHBondContact O-N 2.92Å; C70-C73 HydrophobicContact CB-CB 4.23Å; C70-H273 WeakPolarHBondContact O-CB 3.37Å; C70-H273 PolarHBondContact O-ND1 3.12Å; C70-K274 HydrophobicContact CB-CB 4.45Å; C70-K274 PolarHBondContact N-O 3.18Å; C70-L276 HydrophobicContact CB-CD2 3.97Å
71A88.3Confident92.9Very high37 Ų3759.8 Ų59.831%0.30631%0.312SS..EExtended strand (participates in β ladder)trans-70.6-28.2179.300000113.8K66 H273K66-A71 HydrophobicContact CD-CB 4.26Å; A71-H273 PolarHBondContact O-CE1 3.07Å; A71-H273 PolarHBondContact O-ND1 3.23Å
72N90.3Very high92.9Very high79 Ų7957.5 Ų57.542%0.42229%0.29SS..EExtended strand (participates in β ladder)trans-96.6-32.3-172.1-64.6-40.5000113.2C70 S130C70-N72 VanDerWaalsContact C-N 3.35Å; C70-N72 PolarHBondContact O-N 2.92Å; N72-S130 PolarHBondContact OD1-OG 2.72Å
73C93.8Very high93Very high15 Ų1554.9 Ų54.910%0.10128%0.278CS..EExtended strand (participates in β ladder)trans-98.5143.9-174.8-610000111.3C70 H273 K274C70-C73 HydrophobicContact CB-CB 4.23Å; C73-H273 WeakPolarHBondContact O-CA 3.4Å; C73-K274 HydrophobicContact CB-CB 3.72Å; C73-K274 HydrophobicContact CB-CD 4Å; C73-K274 HydrophobicContact CB-CG 4.47Å; C73-K274 WeakPolarHBondContact O-CB 3.37Å; C73-K274 PolarHBondContact O-N 2.98Å
74F94.1Very high92.9Very high10 Ų1057.1 Ų57.14%0.04429%0.294CS..EExtended strand (participates in β ladder)trans-126.2150.1178-61.5-92.2000110.6L83 L109 W133 R272 H273F74-L83 HydrophobicContact CB-CB 4.19Å; F74-L83 HydrophobicContact CB-CD1 3.8Å; F74-L83 HydrophobicContact CB-CG 4.44Å; F74-L83 PolarHBondContact O-N 3.37Å; F74-L109 HydrophobicContact CD2-CD1 4.25Å; F74-L109 HydrophobicContact CD2-CD2 4.29Å; F74-L109 HydrophobicContact CG-CD1 4.31Å; F74-W133 HydrophobicContact CE1-CB 4.27Å; F74-W133 HydrophobicContact CE2-CB 3.97Å; F74-W133 HydrophobicContact CE2-CG 4.25Å; F74-W133 HydrophobicContact CZ-CB 3.47Å; F74-W133 VanDerWaalsContact CZ-CB 3.47Å; F74-W133 HydrophobicContact CZ-CG 4.22Å; F74-R272 CarbonylContact C-O 3.58Å; F74-R272 WeakPolarHBondContact CA-O 3.48Å; F74-H273 AromaticContact CD1-ND1 3.95Å; F74-H273 AromaticContact CE1-CE1 3.26Å; F74-H273 WeakPolarHBondContact CE1-CE1 3.18Å; F74-H273 AromaticContact CE1-CG 3.82Å; F74-H273 AromaticContact CE1-ND1 3.35Å; F74-H273 WeakPolarHBondContact CE1-ND1 3.15Å; F74-H273 AromaticContact CE1-NE2 3.68Å; F74-H273 AromaticContact CZ-CE1 3.24Å; F74-H273 WeakPolarHBondContact CZ-CE1 3.46Å; F74-H273 AromaticContact CZ-ND1 3.56Å
75D94.8Very high92.9Very high35 Ų3552.4 Ų52.419%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-102.2136.7171.1-70.1-32.8000109.9R272 K274D75-R272 PolarHBondContact N-O 3.03Å; D75-K274 WeakPolarHBondContact OD1-CG 3.41Å; D75-K274 IonicContact OD1-NZ 3.77Å; D75-K274 PolarHBondContact OD1-NZ 3.17Å; D75-K274 WeakPolarHBondContact OD2-CA 3.23Å
76C93.6Very high92.8Very high1 Ų150.9 Ų50.91%0.00726%0.264CS..  trans-63.7125.9175.8177.30000108.7C78 M80 H81 L83 C111C76-C78 PolarHBondContact O-N 3.28Å; C76-M80 VanDerWaalsContact O-CA 3.3Å; C76-M80 WeakPolarHBondContact O-CA 3.39Å; C76-M80 PolarHBondContact O-N 2.97Å; C76-H81 VanDerWaalsContact CB-O 3.28Å; C76-H81 WeakPolarHBondContact CB-O 3.36Å; C76-H81 PolarHBondContact N-O 2.85Å; C76-L83 HydrophobicContact CB-CD2 3.68Å; C76-L83 HydrophobicContact CB-CG 4.04Å; C76-C111 HydrophobicContact CB-CB 4.14Å
77P92.1Very high92.8Very high10 Ų1050 Ų507%0.06527%0.271CS..THydrogen-bonded Turntrans-73.2-18.7-174.633.1-37.6000112W116 Q254 L269P77-W116 HydrophobicContact CG-CZ2 4.05Å; P77-Q254 WeakPolarHBondContact O-CG 3.45Å; P77-L269 HydrophobicContact CB-CD1 3.96Å; P77-L269 HydrophobicContact CB-CD2 3.74Å; P77-L269 HydrophobicContact CB-CG 3.54Å; P77-L269 HydrophobicContact CG-CD2 3.9Å; P77-L269 HydrophobicContact CG-CG 3.79Å
78C90Very high92.6Very high44 Ų4444.3 Ų44.330%0.29725%0.25SC..THydrogen-bonded Turntrans-79.5-46.1178-560000113.4C76 Q254C76-C78 PolarHBondContact O-N 3.28Å; C78-Q254 PolarHBondContact O-NE2 3.43Å; C78-Q254 VanDerWaalsContact O-NE2 3.07Å
79C91.8Very high92.2Very high38 Ų3845.8 Ų45.826%0.25726%0.258SS..THydrogen-bonded Turntrans-125.5-1.5-169.670.60000115.4H81 C111 F113 C114C79-H81 PolarHBondContact O-N 3.29Å; C79-C111 PolarHBondContact SG-SG 2.74Å; C79-F113 HydrophobicContact CB-CD1 3.8Å; C79-F113 HydrophobicContact CB-CE1 4.26Å; C79-C114 HydrophobicContact CB-CB 4.28Å
80M90.9Very high91.6Very high56 Ų5646.9 Ų46.928%0.27627%0.267SS..  trans65.613.3177.5-45176.1-169.200115.1C76 R253 L257C76-M80 VanDerWaalsContact O-CA 3.3Å; C76-M80 WeakPolarHBondContact O-CA 3.39Å; C76-M80 PolarHBondContact O-N 2.97Å; M80-R253 VanDerWaalsContact CE-CD 3.44Å; M80-R253 HydrophobicContact CE-CG 3.55Å; M80-R253 VanDerWaalsContact SD-CZ 3.57Å; M80-R253 PolarHBondContact SD-NH2 3.23Å; M80-L257 HydrophobicContact CE-CD1 3.28Å; M80-L257 HydrophobicContact CE-CG 4.06Å; M80-L257 HydrophobicContact CG-CD1 3.72Å; M80-L257 HydrophobicContact SD-CD1 3.85Å
81H94.5Very high90.7Very high98 Ų9851.1 Ų51.145%0.45429%0.294SS..PPolyproline II helixtrans-80.9150.1170.8-168.675.8000110.7C76 C79 L83 F113C76-H81 VanDerWaalsContact CB-O 3.28Å; C76-H81 WeakPolarHBondContact CB-O 3.36Å; C76-H81 PolarHBondContact N-O 2.85Å; C79-H81 PolarHBondContact O-N 3.29Å; H81-L83 PolarHBondContact O-N 2.75Å; H81-F113 HydrophobicContact CB-CB 4.42Å
82T95.3Very high89.8Confident32 Ų3250.3 Ų50.320%0.19629%0.287CS..BIsolated β-bridgetrans-62.2133.3177.8-43.80000111S53 K274S53-T82 WeakPolarHBondContact OG-CG2 3.42Å; T82-K274 HydrophobicContact CG2-CD 4.15Å; T82-K274 PolarHBondContact OG1-NZ 2.9Å
83L94.9Very high88.7Confident17 Ų1750.5 Ų50.59%0.08929%0.292CS..EExtended strand (participates in β ladder)trans-78.5148.3173.9-68.1170.4000111.3F74 C76 H81 L109 C111 W116 P271F74-L83 HydrophobicContact CB-CB 4.19Å; F74-L83 HydrophobicContact CB-CD1 3.8Å; F74-L83 HydrophobicContact CB-CG 4.44Å; F74-L83 PolarHBondContact O-N 3.37Å; C76-L83 HydrophobicContact CB-CD2 3.68Å; C76-L83 HydrophobicContact CB-CG 4.04Å; H81-L83 PolarHBondContact O-N 2.75Å; L83-L109 HydrophobicContact CD1-CB 4.3Å; L83-L109 HydrophobicContact CD1-CD1 4.36Å; L83-C111 HydrophobicContact CD2-CB 3.81Å; L83-W116 HydrophobicContact CD1-CE3 4.38Å; L83-W116 HydrophobicContact CD1-CH2 4.42Å; L83-W116 HydrophobicContact CD1-CZ3 3.67Å; L83-W116 HydrophobicContact CD2-CE3 3.69Å; L83-W116 HydrophobicContact CD2-CZ3 3.76Å; L83-W116 HydrophobicContact CG-CZ3 4.4Å; L83-P271 HydrophobicContact CD1-CB 3.56Å; L83-P271 HydrophobicContact CD1-CG 4.48Å
84S93.6Very high87.3Confident47 Ų4752.3 Ų52.333%0.32930%0.301SS..EExtended strand (participates in β ladder)trans-112.7140.6173.960.20000110.1A110S84-A110 PolarHBondContact N-O 3.32Å; S84-A110 PolarHBondContact O-N 2.7Å; S84-A110 PolarHBondContact OG-O 2.96Å
85T92.8Very high85.9Confident76 Ų7657.1 Ų57.147%0.46633%0.333SS..EExtended strand (participates in β ladder)trans-80.6124172.244.30000109.4L109T85-L109 HydrophobicContact CG2-CD2 3.61Å
86R92Very high84.5Confident115 Ų11562.7 Ų62.743%0.43436%0.363SS..EExtended strand (participates in β ladder)trans-114.2142.6175.9-68.2-170.9175.8-130.1-4.7109.8Y107 Y108 A110R86-Y107 VanDerWaalsContact O-CA 3.3Å; R86-Y107 WeakPolarHBondContact O-CA 3.48Å; R86-Y108 HydrophobicContact CB-CD1 4.07Å; R86-Y108 HydrophobicContact CB-CE1 3.49Å; R86-Y108 VanDerWaalsContact CB-CE1 3.49Å; R86-Y108 HydrophobicContact CB-CE2 4.28Å; R86-Y108 WeakPolarHBondContact CD-OH 3.48Å; R86-Y108 PolarHBondContact N-O 3.36Å; R86-Y108 WeakPolarHBondContact O-CD1 3.02Å; R86-Y108 PolarHBondContact O-N 2.85Å; R86-A110 HydrophobicContact CG-CB 4.18Å
87A91.6Very high82.9Confident60 Ų6065.7 Ų65.750%0.49638%0.379SS..EExtended strand (participates in β ladder)trans-103.2141.1179.200000110.9A106 Y107A87-A106 CarbonylContact C-O 3.58Å; A87-A106 WeakPolarHBondContact CA-O 3.33Å; A87-Y107 HydrophobicContact CB-CD1 3.87Å; A87-Y107 HydrophobicContact CB-CE1 3.7Å
88T89.1Confident81.7Confident41 Ų4170.5 Ų70.525%0.25241%0.41SS..EExtended strand (participates in β ladder)trans-134.3147.9169.144.70000109.5A106 Y108 R119T88-A106 PolarHBondContact N-O 2.89Å; T88-A106 PolarHBondContact O-N 2.98Å; T88-A106 VanDerWaalsContact O-O 3.12Å; T88-Y108 HydrophobicContact CG2-CD1 4.36Å; T88-Y108 HydrophobicContact CG2-CE1 3.79Å; T88-R119 PolarHBondContact OG1-NH2 2.96Å
89N86Confident80.7Confident101 Ų10174.1 Ų74.154%0.5443%0.431SS..EExtended strand (participates in β ladder)trans-91.1118.5174.6-66.6-28.1000108.8M103N89-M103 HydrophobicContact CB-CB 4.38Å
90I80.3Confident79.7Confident70 Ų7078 Ų7836%0.35944%0.444SS..EExtended strand (participates in β ladder)trans-109.1132.5178.7-54.9-179.4000108.7A92 K104 A106I90-A92 PolarHBondContact O-N 2.97Å; I90-K104 PolarHBondContact N-O 2.8Å; I90-K104 PolarHBondContact O-N 2.81Å; I90-A106 HydrophobicContact CB-CB 4.43Å; I90-A106 HydrophobicContact CD1-CB 3.35Å; I90-A106 HydrophobicContact CG1-CB 3.72Å
91P74.6Confident78.8Confident92 Ų9279.7 Ų79.760%0.59746%0.457SS*.EExtended strand (participates in β ladder)trans-62.9119.3170.920.8-27.2000110.1T101P91-T101 HydrophobicContact CB-CG2 3.33Å
92A69.6Low77.8Confident19 Ų1977.9 Ų77.916%0.15745%0.453CS..EExtended strand (participates in β ladder)trans-125.3141.5176.200000110.6I90 T102 K104I90-A92 PolarHBondContact O-N 2.97Å; A92-T102 PolarHBondContact N-O 2.81Å; A92-T102 PolarHBondContact O-N 2.84Å; A92-T102 VanDerWaalsContact O-O 3.11Å; A92-K104 HydrophobicContact CB-CB 4.23Å; A92-K104 HydrophobicContact CB-CD 3.58Å; A92-K104 HydrophobicContact CB-CG 3.88Å
93P67.6Low76.9Confident83 Ų8383.3 Ų83.354%0.53948%0.478SS..EExtended strand (participates in β ladder)trans-60.1141.7174.7-16.729000110.8K104P93-K104 PolarHBondContact O-NZ 2.91Å
94L63.9Low76.2Confident54 Ų5487.1 Ų87.128%0.28349%0.494SS..  trans-67.9141.7169.5-84.7156.3000109.8D96 D97 K100 T102L94-D96 PolarHBondContact O-N 3.08Å; L94-D97 PolarHBondContact O-N 3.12Å; L94-K100 HydrophobicContact CD1-CB 3.56Å; L94-K100 PolarHBondContact N-O 2.98Å; L94-T102 VanDerWaalsContact CD1-OG1 3.27Å; L94-T102 WeakPolarHBondContact CD1-OG1 3.46Å; L94-T102 WeakPolarHBondContact CD2-OG1 3.45Å; L94-T102 VanDerWaalsContact CG-OG1 3.26Å; L94-T102 WeakPolarHBondContact CG-OG1 3.32Å
95P66.2Low75.9Confident111 Ų11191.4 Ų91.472%0.72151%0.507SS*.SBendtrans-61.1-29.9176.4-16.228.6000112.7
96D63.6Low75.7Confident151 Ų15188.3 Ų88.381%0.80749%0.489SS*.SBendtrans-91.7-15.7-174-60.6-39.4000114L94L94-D96 PolarHBondContact O-N 3.08Å
97D61.5Low75.7Confident64 Ų6485.3 Ų85.334%0.34248%0.478SS..  trans-157.5104.7-175.4-125.2-12.5000110L94 T99 K100L94-D97 PolarHBondContact O-N 3.12Å; D97-T99 PolarHBondContact O-N 3.19Å; D97-T99 VanDerWaalsContact O-N 3.16Å; D97-K100 HydrophobicContact CB-CB 4.46Å; D97-K100 HydrophobicContact CB-CD 4.39Å; D97-K100 PolarHBondContact O-N 2.87Å; D97-K100 IonicContact OD2-NZ 3Å; D97-K100 PolarHBondContact OD2-NZ 3.04Å
98P66Low75.8Confident112 Ų11284.2 Ų84.273%0.72746%0.461SS*.THydrogen-bonded Turntrans-68.9-13-175.326.3-33.5000114
99T69.9Low76.1Confident119 Ų11982.4 Ų82.473%0.7345%0.45SS*.THydrogen-bonded Turntrans-85.1-15176.842.80000113.5D97D97-T99 PolarHBondContact O-N 3.19Å; D97-T99 VanDerWaalsContact O-N 3.16Å
100K69.1Low76.5Confident121 Ų12177.9 Ų77.953%0.52643%0.426SS..  trans-106122.2177.2-67.9175.1-174144.80110.3L94 D97L94-K100 HydrophobicContact CD1-CB 3.56Å; L94-K100 PolarHBondContact N-O 2.98Å; D97-K100 HydrophobicContact CB-CB 4.46Å; D97-K100 HydrophobicContact CB-CD 4.39Å; D97-K100 PolarHBondContact O-N 2.87Å; D97-K100 IonicContact OD2-NZ 3Å; D97-K100 PolarHBondContact OD2-NZ 3.04Å
101T72.8Confident77.3Confident91 Ų9174.7 Ų74.756%0.55841%0.41SS*.EExtended strand (participates in β ladder)trans-99.6125.2179.9-470000110.1P91P91-T101 HydrophobicContact CB-CG2 3.33Å
102T73.3Confident78.2Confident59 Ų5972.2 Ų72.236%0.36240%0.402SS..EExtended strand (participates in β ladder)trans-109.7138.9173.9-63.50000109.5A92 L94 K104A92-T102 PolarHBondContact N-O 2.81Å; A92-T102 PolarHBondContact O-N 2.84Å; A92-T102 VanDerWaalsContact O-O 3.11Å; L94-T102 VanDerWaalsContact CD1-OG1 3.27Å; L94-T102 WeakPolarHBondContact CD1-OG1 3.46Å; L94-T102 WeakPolarHBondContact CD2-OG1 3.45Å; L94-T102 VanDerWaalsContact CG-OG1 3.26Å; L94-T102 WeakPolarHBondContact CG-OG1 3.32Å; T102-K104 PolarHBondContact O-N 2.8Å
103M76.9Confident79.5Confident146 Ų14678.8 Ų78.872%0.71943%0.427SS*.EExtended strand (participates in β ladder)trans-70.5112.2175.3-65.5-173.4-175.800109.8N89N89-M103 HydrophobicContact CB-CB 4.38Å
104K80.5Confident80.7Confident98 Ų9877.3 Ų77.343%0.42642%0.418SS..EExtended strand (participates in β ladder)trans-99.3138.3172.9-67.9-175.8-169167.70109.5I90 A92 P93 T102 A106I90-K104 PolarHBondContact N-O 2.8Å; I90-K104 PolarHBondContact O-N 2.81Å; A92-K104 HydrophobicContact CB-CB 4.23Å; A92-K104 HydrophobicContact CB-CD 3.58Å; A92-K104 HydrophobicContact CB-CG 3.88Å; P93-K104 PolarHBondContact O-NZ 2.91Å; T102-K104 PolarHBondContact O-N 2.8Å; K104-A106 PolarHBondContact O-N 2.86Å
105K86.7Confident82.1Confident137 Ų13783 Ų8360%0.59644%0.436SS*.EExtended strand (participates in β ladder)trans-70.7125.4172.5-69.7-177.6-179.5-179.60108.9Y107K105-Y107 HydrophobicContact CB-CE2 4.49Å
106A89.1Confident83.4Confident11 Ų1178.6 Ų78.69%0.09141%0.405CS..EExtended strand (participates in β ladder)trans-122.3138.7176.900000109.3A87 T88 I90 K104 D125 K126A87-A106 CarbonylContact C-O 3.58Å; A87-A106 WeakPolarHBondContact CA-O 3.33Å; T88-A106 PolarHBondContact N-O 2.89Å; T88-A106 PolarHBondContact O-N 2.98Å; T88-A106 VanDerWaalsContact O-O 3.12Å; I90-A106 HydrophobicContact CB-CB 4.43Å; I90-A106 HydrophobicContact CD1-CB 3.35Å; I90-A106 HydrophobicContact CG1-CB 3.72Å; K104-A106 PolarHBondContact O-N 2.86Å; A106-D125 HydrophobicContact CB-CB 3.98Å; A106-K126 CarbonylContact C-O 3.59Å; A106-K126 WeakPolarHBondContact CA-O 3.44Å
107Y92.2Very high84.9Confident51 Ų5172.7 Ų72.720%0.237%0.374CS..EExtended strand (participates in β ladder)trans-111.6137.8-176.7-61.5-86.4000110.5R86 A87 K105 D125 K126 S127 A129 W133R86-Y107 VanDerWaalsContact O-CA 3.3Å; R86-Y107 WeakPolarHBondContact O-CA 3.48Å; A87-Y107 HydrophobicContact CB-CD1 3.87Å; A87-Y107 HydrophobicContact CB-CE1 3.7Å; K105-Y107 HydrophobicContact CB-CE2 4.49Å; Y107-D125 VanDerWaalsContact O-CA 3.31Å; Y107-D125 WeakPolarHBondContact O-CA 3.25Å; Y107-D125 WeakPolarHBondContact O-CB 3.15Å; Y107-K126 WeakPolarHBondContact CD2-O 3.36Å; Y107-K126 PolarHBondContact N-O 2.78Å; Y107-K126 PolarHBondContact O-N 2.84Å; Y107-S127 WeakPolarHBondContact CE2-O 3.49Å; Y107-A129 HydrophobicContact CD1-CB 3.9Å; Y107-A129 HydrophobicContact CD2-CB 4.26Å; Y107-A129 HydrophobicContact CE1-CB 3.75Å; Y107-A129 HydrophobicContact CE2-CB 4.14Å; Y107-A129 HydrophobicContact CG-CB 4.15Å; Y107-W133 VanDerWaalsContact O-CH2 3.25Å; Y107-W133 WeakPolarHBondContact O-CH2 3.48Å; Y107-W133 VanDerWaalsContact O-CZ2 3.23Å; Y107-W133 WeakPolarHBondContact O-CZ2 3.48Å
108Y93.6Very high86.4Confident37 Ų3769.7 Ų69.715%0.14536%0.358CS..EExtended strand (participates in β ladder)trans-133.5156.8173.475.2-80000110.4R86 T88 A110 T117R86-Y108 HydrophobicContact CB-CD1 4.07Å; R86-Y108 HydrophobicContact CB-CE1 3.49Å; R86-Y108 VanDerWaalsContact CB-CE1 3.49Å; R86-Y108 HydrophobicContact CB-CE2 4.28Å; R86-Y108 WeakPolarHBondContact CD-OH 3.48Å; R86-Y108 PolarHBondContact N-O 3.36Å; R86-Y108 WeakPolarHBondContact O-CD1 3.02Å; R86-Y108 PolarHBondContact O-N 2.85Å; T88-Y108 HydrophobicContact CG2-CD1 4.36Å; T88-Y108 HydrophobicContact CG2-CE1 3.79Å; Y108-A110 HydrophobicContact CD2-CB 4.43Å; Y108-A110 HydrophobicContact CE2-CB 3.92Å; Y108-T117 HydrophobicContact CE2-CG2 4.19Å
109L94.6Very high87.6Confident3 Ų369.4 Ų69.42%0.01634%0.343CS..EExtended strand (participates in β ladder)trans-92.7137.8179-60.9168.2000109.9F74 L83 T85 W116 T117 S118 W133 P271F74-L109 HydrophobicContact CD2-CD1 4.25Å; F74-L109 HydrophobicContact CD2-CD2 4.29Å; F74-L109 HydrophobicContact CG-CD1 4.31Å; L83-L109 HydrophobicContact CD1-CB 4.3Å; L83-L109 HydrophobicContact CD1-CD1 4.36Å; T85-L109 HydrophobicContact CG2-CD2 3.61Å; L109-W116 HydrophobicContact CB-CZ3 4.48Å; L109-T117 CarbonylContact O-C 3.5Å; L109-T117 VanDerWaalsContact O-CA 3.3Å; L109-T117 WeakPolarHBondContact O-CA 3.33Å; L109-S118 PolarHBondContact N-OG 2.96Å; L109-S118 PolarHBondContact O-N 2.71Å; L109-W133 HydrophobicContact CD1-CD2 4.17Å; L109-W133 HydrophobicContact CD1-CE3 4.2Å; L109-W133 HydrophobicContact CG-CD2 4.38Å; L109-W133 HydrophobicContact CG-CH2 4.42Å; L109-W133 HydrophobicContact CG-CZ2 4.21Å; L109-P271 HydrophobicContact CD1-CG 4.15Å
110A95.7Very high88.6Confident6 Ų668.4 Ų68.45%0.0533%0.333CS..EExtended strand (participates in β ladder)trans-139.7141.8178.200000112.1S84 R86 Y108 W116S84-A110 PolarHBondContact N-O 3.32Å; S84-A110 PolarHBondContact O-N 2.7Å; S84-A110 PolarHBondContact OG-O 2.96Å; R86-A110 HydrophobicContact CG-CB 4.18Å; Y108-A110 HydrophobicContact CD2-CB 4.43Å; Y108-A110 HydrophobicContact CE2-CB 3.92Å; A110-W116 WeakPolarHBondContact CA-O 3.45Å
111C96Very high89.7Confident3 Ų363.4 Ų63.42%0.0231%0.312CS..EExtended strand (participates in β ladder)trans-90.8130.7172.8-171.80000111.3C76 C79 L83 F113 C114 R115 W116C76-C111 HydrophobicContact CB-CB 4.14Å; C79-C111 PolarHBondContact SG-SG 2.74Å; L83-C111 HydrophobicContact CD2-CB 3.81Å; C111-F113 VanDerWaalsContact C-N 3.33Å; C111-F113 PolarHBondContact SG-N 3.09Å; C111-F113 VanDerWaalsContact SG-N 3.43Å; C111-C114 VanDerWaalsContact SG-SG 3.68Å; C111-R115 WeakPolarHBondContact O-CA 3.32Å; C111-R115 PolarHBondContact O-N 3.27Å; C111-W116 HydrophobicContact CB-CB 4.32Å; C111-W116 PolarHBondContact N-O 3.2Å
112G94.4Very high90.4Very high41 Ų4162.2 Ų62.242%0.42332%0.318SS..THydrogen-bonded Turntrans-70.2-26.9174.500000114.2
113F95.7Very high91.3Very high157 Ų15761 Ų6169%0.68931%0.309SS*.THydrogen-bonded Turntrans-87.6-63.7-174.5-178.4-106000112.5C79 H81 C111C79-F113 HydrophobicContact CB-CD1 3.8Å; C79-F113 HydrophobicContact CB-CE1 4.26Å; H81-F113 HydrophobicContact CB-CB 4.42Å; C111-F113 VanDerWaalsContact C-N 3.33Å; C111-F113 PolarHBondContact SG-N 3.09Å; C111-F113 VanDerWaalsContact SG-N 3.43Å
114C92.8Very high91.8Very high51 Ų5157.2 Ų57.235%0.34530%0.3SS..THydrogen-bonded Turntrans-94.63.6-174.966.60000114.5C79 C111 W116C79-C114 HydrophobicContact CB-CB 4.28Å; C111-C114 VanDerWaalsContact SG-SG 3.68Å; C114-W116 PolarHBondContact O-N 3.27Å; C114-W116 VanDerWaalsContact SG-CB 3.57Å
115R93.6Very high92.3Very high175 Ų17554.4 Ų54.466%0.6629%0.29SS*.  trans59.67.5-178.3-53-61.7-177.1178.6-0.8116.2C111 T117C111-R115 WeakPolarHBondContact O-CA 3.32Å; C111-R115 PolarHBondContact O-N 3.27Å; R115-T117 WeakPolarHBondContact O-CG2 3.41Å
116W94.3Very high92.5Very high18 Ų1851.2 Ų51.27%0.06828%0.276CS..  trans-53.5139.2171.2178.188.9000111.3P77 L83 L109 A110 C111 C114 V121 P271P77-W116 HydrophobicContact CG-CZ2 4.05Å; L83-W116 HydrophobicContact CD1-CE3 4.38Å; L83-W116 HydrophobicContact CD1-CH2 4.42Å; L83-W116 HydrophobicContact CD1-CZ3 3.67Å; L83-W116 HydrophobicContact CD2-CE3 3.69Å; L83-W116 HydrophobicContact CD2-CZ3 3.76Å; L83-W116 HydrophobicContact CG-CZ3 4.4Å; L109-W116 HydrophobicContact CB-CZ3 4.48Å; A110-W116 WeakPolarHBondContact CA-O 3.45Å; C111-W116 HydrophobicContact CB-CB 4.32Å; C111-W116 PolarHBondContact N-O 3.2Å; C114-W116 PolarHBondContact O-N 3.27Å; C114-W116 VanDerWaalsContact SG-CB 3.57Å; W116-V121 HydrophobicContact CH2-CG2 4.43Å; W116-V121 HydrophobicContact CZ2-CG1 4.04Å; W116-V121 HydrophobicContact CZ2-CG2 3.78Å; W116-P271 HydrophobicContact CH2-CB 3.9Å; W116-P271 HydrophobicContact CH2-CG 3.8Å; W116-P271 HydrophobicContact CZ3-CB 4.36Å
117T94.4Very high92.3Very high27 Ų2755.5 Ų55.517%0.16631%0.306CS..BIsolated β-bridgetrans-125.4154.2176.281.80000112.1Y108 L109 R115 R119 D120Y108-T117 HydrophobicContact CE2-CG2 4.19Å; L109-T117 CarbonylContact O-C 3.5Å; L109-T117 VanDerWaalsContact O-CA 3.3Å; L109-T117 WeakPolarHBondContact O-CA 3.33Å; R115-T117 WeakPolarHBondContact O-CG2 3.41Å; T117-R119 PolarHBondContact O-N 3.23Å; T117-R119 VanDerWaalsContact O-N 3.12Å; T117-R119 PolarHBondContact OG1-N 3.04Å; T117-D120 PolarHBondContact N-OD2 3.12Å; T117-D120 WeakPolarHBondContact O-CB 3.31Å; T117-D120 PolarHBondContact O-N 3.02Å; T117-D120 VanDerWaalsContact O-N 3.09Å; T117-D120 PolarHBondContact OG1-N 3.37Å; T117-D120 PolarHBondContact OG1-OD1 3.48Å
118S93.4Very high92Very high0 Ų057.2 Ų57.20%032%0.321CS..THydrogen-bonded Turntrans-61.6-19.1172.958.50000113.3L109 D120 V121 M123L109-S118 PolarHBondContact N-OG 2.96Å; L109-S118 PolarHBondContact O-N 2.71Å; S118-D120 VanDerWaalsContact C-N 3.34Å; S118-V121 VanDerWaalsContact O-CG2 3.24Å; S118-V121 WeakPolarHBondContact O-CG2 3.43Å; S118-M123 WeakPolarHBondContact O-CB 3.25Å; S118-M123 PolarHBondContact O-N 3.1Å
119R91.6Very high91.4Very high107 Ų10757 Ų5740%0.40433%0.328SS..THydrogen-bonded Turntrans-74.2-27.7177.2-59.7179.6177.6170.21.6111.9T88 T117 V121 G122 D125T88-R119 PolarHBondContact OG1-NH2 2.96Å; T117-R119 PolarHBondContact O-N 3.23Å; T117-R119 VanDerWaalsContact O-N 3.12Å; T117-R119 PolarHBondContact OG1-N 3.04Å; R119-V121 PolarHBondContact O-N 3.08Å; R119-G122 PolarHBondContact O-N 3.28Å; R119-D125 IonicContact CZ-OD2 3.78Å; R119-D125 IonicContact NE-OD1 2.7Å; R119-D125 PolarHBondContact NE-OD1 2.76Å; R119-D125 IonicContact NE-OD2 3.13Å; R119-D125 PolarHBondContact NE-OD2 2.75Å; R119-D125 IonicContact NH2-OD2 3.78Å; R119-D125 PolarHBondContact NH2-OD2 2.95Å
120D90.8Very high90.6Very high98 Ų9859.5 Ų59.552%0.52435%0.345SS..THydrogen-bonded Turntrans-62-28.5178.5-53.4-10.7000111.6T117 S118T117-D120 PolarHBondContact N-OD2 3.12Å; T117-D120 WeakPolarHBondContact O-CB 3.31Å; T117-D120 PolarHBondContact O-N 3.02Å; T117-D120 VanDerWaalsContact O-N 3.09Å; T117-D120 PolarHBondContact OG1-N 3.37Å; T117-D120 PolarHBondContact OG1-OD1 3.48Å; S118-D120 VanDerWaalsContact C-N 3.34Å
121V90.5Very high89.6Confident15 Ų1562.2 Ų62.29%0.09137%0.374CS..THydrogen-bonded Turntrans-103.910.8178.7-610000112.8W116 S118 R119 M123 A266 S267W116-V121 HydrophobicContact CH2-CG2 4.43Å; W116-V121 HydrophobicContact CZ2-CG1 4.04Å; W116-V121 HydrophobicContact CZ2-CG2 3.78Å; S118-V121 VanDerWaalsContact O-CG2 3.24Å; S118-V121 WeakPolarHBondContact O-CG2 3.43Å; R119-V121 PolarHBondContact O-N 3.08Å; V121-M123 VanDerWaalsContact C-N 3.31Å; V121-M123 HydrophobicContact CG2-CB 4.49Å; V121-M123 HydrophobicContact CG2-CG 3.85Å; V121-M123 HydrophobicContact CG2-SD 3.88Å; V121-M123 PolarHBondContact O-N 2.8Å; V121-A266 WeakPolarHBondContact CG1-O 3.46Å; V121-S267 WeakPolarHBondContact CB-O 3.29Å
122G89.4Confident88.7Confident67 Ų6763.5 Ų63.569%0.69139%0.388SS*.THydrogen-bonded Turntrans7019.8176.900000115.2R119 A124R119-G122 PolarHBondContact O-N 3.28Å; G122-A124 PolarHBondContact O-N 3.02Å
123M90.3Very high88.3Confident34 Ų3462.3 Ų62.317%0.16737%0.37CS..PPolyproline II helixtrans-73.9121.7174.4-70.1171.970.700110.4S118 V121 D125 W133 P271S118-M123 WeakPolarHBondContact O-CB 3.25Å; S118-M123 PolarHBondContact O-N 3.1Å; V121-M123 VanDerWaalsContact C-N 3.31Å; V121-M123 HydrophobicContact CG2-CB 4.49Å; V121-M123 HydrophobicContact CG2-CG 3.85Å; V121-M123 HydrophobicContact CG2-SD 3.88Å; V121-M123 PolarHBondContact O-N 2.8Å; M123-D125 PolarHBondContact O-N 2.88Å; M123-W133 HydrophobicContact CE-CE3 3.86Å; M123-W133 HydrophobicContact CE-CZ3 4.12Å; M123-P271 HydrophobicContact CE-CG 4.08Å; M123-P271 WeakPolarHBondContact SD-CD 3.41Å; M123-P271 HydrophobicContact SD-CG 3.8Å
124A89.3Confident87.5Confident65 Ų6562.8 Ų62.854%0.53738%0.375SS..PPolyproline II helixtrans-65131.1178.700000112.3G122 K126G122-A124 PolarHBondContact O-N 3.02Å; A124-K126 WeakPolarHBondContact O-CE 3.39Å; A124-K126 PolarHBondContact O-NZ 2.72Å
125D91Very high87Confident40 Ų4063.2 Ų63.221%0.21437%0.372CS..PPolyproline II helixtrans-54.6145.5175.6-68.813.4000111.6A106 Y107 R119 M123A106-D125 HydrophobicContact CB-CB 3.98Å; Y107-D125 VanDerWaalsContact O-CA 3.31Å; Y107-D125 WeakPolarHBondContact O-CA 3.25Å; Y107-D125 WeakPolarHBondContact O-CB 3.15Å; R119-D125 IonicContact CZ-OD2 3.78Å; R119-D125 IonicContact NE-OD1 2.7Å; R119-D125 PolarHBondContact NE-OD1 2.76Å; R119-D125 IonicContact NE-OD2 3.13Å; R119-D125 PolarHBondContact NE-OD2 2.75Å; R119-D125 IonicContact NH2-OD2 3.78Å; R119-D125 PolarHBondContact NH2-OD2 2.95Å; M123-D125 PolarHBondContact O-N 2.88Å
126K89.8Confident86.4Confident69 Ų6957.8 Ų57.830%0.336%0.359SS..BIsolated β-bridgetrans-104.6149.1-179-57.3-54.4177.8-149.10111.5A106 Y107 A124 V128 G132 W133A106-K126 CarbonylContact C-O 3.59Å; A106-K126 WeakPolarHBondContact CA-O 3.44Å; Y107-K126 WeakPolarHBondContact CD2-O 3.36Å; Y107-K126 PolarHBondContact N-O 2.78Å; Y107-K126 PolarHBondContact O-N 2.84Å; A124-K126 WeakPolarHBondContact O-CE 3.39Å; A124-K126 PolarHBondContact O-NZ 2.72Å; K126-V128 VanDerWaalsContact C-N 3.32Å; K126-G132 WeakPolarHBondContact CE-O 3.38Å; K126-W133 HydrophobicContact CB-CZ2 4.18Å; K126-W133 HydrophobicContact CG-CD2 3.98Å; K126-W133 HydrophobicContact CG-CE3 4.01Å; K126-W133 HydrophobicContact CG-CH2 3.94Å; K126-W133 HydrophobicContact CG-CZ2 3.92Å; K126-W133 HydrophobicContact CG-CZ3 3.99Å
127S85.3Confident85.9Confident102 Ų10265.4 Ų65.471%0.71340%0.395SS*.SBendtrans-76.3-20.5174.854.30000113.2Y107Y107-S127 WeakPolarHBondContact CE2-O 3.49Å
128V86.6Confident85.6Confident86 Ų8666.8 Ų66.852%0.52140%0.402SS..SBendtrans-113.2139178.4-1710000109.4K126 S130K126-V128 VanDerWaalsContact C-N 3.32Å; V128-S130 VanDerWaalsContact CG1-O 3.27Å; V128-S130 WeakPolarHBondContact CG1-O 3.3Å; V128-S130 PolarHBondContact O-N 3.16Å
129A80.3Confident85.4Confident34 Ų3471.5 Ų71.528%0.28143%0.432SS..SBendtrans-65.5-37.6-176.100000113.4Y107 W133Y107-A129 HydrophobicContact CD1-CB 3.9Å; Y107-A129 HydrophobicContact CD2-CB 4.26Å; Y107-A129 HydrophobicContact CE1-CB 3.75Å; Y107-A129 HydrophobicContact CE2-CB 4.14Å; Y107-A129 HydrophobicContact CG-CB 4.15Å; A129-W133 PolarHBondContact O-NE1 3.24Å
130S78.1Confident85.4Confident54 Ų5472.1 Ų72.138%0.37844%0.439SS..SBendtrans-129.9151.4178.8-163.40000111.5N72 V128 G132N72-S130 PolarHBondContact OD1-OG 2.72Å; V128-S130 VanDerWaalsContact CG1-O 3.27Å; V128-S130 WeakPolarHBondContact CG1-O 3.3Å; V128-S130 PolarHBondContact O-N 3.16Å; S130-G132 PolarHBondContact O-N 3.21Å
131G74.8Confident85.4Confident64 Ų6468.7 Ų68.766%0.6643%0.428SS*.SBendtrans91.2-19.4175.400000116.3
132G76.8Confident85.4Confident30 Ų3075.6 Ų75.631%0.30946%0.459SS..  trans-86.8-6.517600000115K126 S130K126-G132 WeakPolarHBondContact CE-O 3.38Å; S130-G132 PolarHBondContact O-N 3.21Å
133W85.3Confident85.5Confident16 Ų1678.2 Ų78.26%0.06145%0.448CS..  trans-89.5112.8-178.9-58.9107.8000109.3F74 Y107 L109 M123 K126 A129F74-W133 HydrophobicContact CE1-CB 4.27Å; F74-W133 HydrophobicContact CE2-CB 3.97Å; F74-W133 HydrophobicContact CE2-CG 4.25Å; F74-W133 HydrophobicContact CZ-CB 3.47Å; F74-W133 VanDerWaalsContact CZ-CB 3.47Å; F74-W133 HydrophobicContact CZ-CG 4.22Å; Y107-W133 VanDerWaalsContact O-CH2 3.25Å; Y107-W133 WeakPolarHBondContact O-CH2 3.48Å; Y107-W133 VanDerWaalsContact O-CZ2 3.23Å; Y107-W133 WeakPolarHBondContact O-CZ2 3.48Å; L109-W133 HydrophobicContact CD1-CD2 4.17Å; L109-W133 HydrophobicContact CD1-CE3 4.2Å; L109-W133 HydrophobicContact CG-CD2 4.38Å; L109-W133 HydrophobicContact CG-CH2 4.42Å; L109-W133 HydrophobicContact CG-CZ2 4.21Å; M123-W133 HydrophobicContact CE-CE3 3.86Å; M123-W133 HydrophobicContact CE-CZ3 4.12Å; K126-W133 HydrophobicContact CB-CZ2 4.18Å; K126-W133 HydrophobicContact CG-CD2 3.98Å; K126-W133 HydrophobicContact CG-CE3 4.01Å; K126-W133 HydrophobicContact CG-CH2 3.94Å; K126-W133 HydrophobicContact CG-CZ2 3.92Å; K126-W133 HydrophobicContact CG-CZ3 3.99Å; A129-W133 PolarHBondContact O-NE1 3.24Å
134Q78.8Confident85.6Confident167 Ų16780.3 Ų80.378%0.7846%0.459SS*.  trans-116.9140.8178.1-66.7-179.9-16.300109.7
135E82.2Confident85.8Confident60 Ų6080.2 Ų80.228%0.2846%0.455SS..PPolyproline II helixtrans-78.1146.8171.1-66.6-174.917600109.9E137 R272 H273E135-E137 PolarHBondContact O-N 2.8Å; E135-R272 VanDerWaalsContact OE1-CA 3.22Å; E135-R272 WeakPolarHBondContact OE1-CA 3.14Å; E135-H273 VanDerWaalsContact CD-CD2 3.49Å; E135-H273 IonicContact OE1-CD2 3.42Å; E135-H273 PolarHBondContact OE1-CD2 2.94Å; E135-H273 IonicContact OE1-CG 3.27Å; E135-H273 PolarHBondContact OE1-N 3.46Å
136P82.7Confident85.8Confident60 Ų6084.6 Ų84.639%0.3947%0.472SS..PPolyproline II helixtrans-56.5133.7168.6-22.733000111.1F261 H270P136-F261 HydrophobicContact CB-CE1 4.49Å; P136-H270 HydrophobicContact CG-CB 4.45Å
137E83.5Confident86Confident178 Ų17883.9 Ų83.983%0.83247%0.471SS*.PPolyproline II helixtrans-70.4154.7174.1-65.1-170.9171.100111E135 P139E135-E137 PolarHBondContact O-N 2.8Å; E137-P139 WeakPolarHBondContact O-CD 3.48Å
138N86.8Confident86.4Confident56 Ų5683.1 Ų83.130%0.29946%0.458SS..PPolyproline II helixtrans-66.1124176.4-175.2-34.8000109.5H140 G141N138-H140 PolarHBondContact O-N 2.81Å; N138-H140 VanDerWaalsContact O-N 3.08Å; N138-H140 PolarHBondContact OD1-N 3.31Å; N138-G141 PolarHBondContact O-N 2.95Å
139P90.1Very high86.8Confident100 Ų10083.8 Ų83.865%0.64946%0.455SS*.THydrogen-bonded Turntrans-54.1-31.7179.8-2734.8000114E137E137-P139 WeakPolarHBondContact O-CD 3.48Å
140H91.6Very high87.4Confident119 Ų11985.9 Ų85.955%0.55146%0.457SS*.THydrogen-bonded Turntrans-96.27.6-178.1-56.8-53.6000113.8N138 Q142 R143 I144N138-H140 PolarHBondContact O-N 2.81Å; N138-H140 VanDerWaalsContact O-N 3.08Å; N138-H140 PolarHBondContact OD1-N 3.31Å; H140-Q142 PolarHBondContact O-N 3.03Å; H140-R143 PolarHBondContact O-N 2.97Å; H140-R143 VanDerWaalsContact O-N 3.17Å; H140-I144 HydrophobicContact CB-CD1 4.4Å; H140-I144 WeakPolarHBondContact O-CG1 3.22Å; H140-I144 PolarHBondContact O-N 3.48Å
141G90.1Very high88.1Confident27 Ų2790.2 Ų90.228%0.27847%0.465SS..Hα-helixtrans-55.1-46.1-175.800000113.7N138 R143 I144 S145N138-G141 PolarHBondContact O-N 2.95Å; G141-R143 PolarHBondContact O-N 3.4Å; G141-I144 PolarHBondContact O-N 3.44Å; G141-S145 PolarHBondContact O-N 3.39Å; G141-S145 VanDerWaalsContact O-N 3.1Å; G141-S145 PolarHBondContact O-OG 2.78Å
142Q90.8Very high89Confident159 Ų15992.9 Ų92.974%0.74346%0.461SS*.Hα-helixtrans-64.3-40.3179.4-64.4-177.80.100112.7H140 S145 K146H140-Q142 PolarHBondContact O-N 3.03Å; Q142-S145 PolarHBondContact O-N 3.41Å; Q142-K146 WeakPolarHBondContact O-CG 3.21Å; Q142-K146 PolarHBondContact O-N 3.38Å; Q142-K146 VanDerWaalsContact O-N 3.13Å
143R91.1Very high89.8Confident122 Ų12294.7 Ų94.746%0.4646%0.461SS..Hα-helixtrans-65.3-41.2178-178.1176.5179.61487.2111H140 G141 K146 L147H140-R143 PolarHBondContact O-N 2.97Å; H140-R143 VanDerWaalsContact O-N 3.17Å; G141-R143 PolarHBondContact O-N 3.4Å; R143-K146 PolarHBondContact O-N 3.16Å; R143-L147 HydrophobicContact CG-CD1 4.1Å; R143-L147 WeakPolarHBondContact O-CG 3.21Å; R143-L147 PolarHBondContact O-N 3.19Å
144I93.3Very high90.1Very high79 Ų7997.6 Ų97.641%0.40548%0.478SS..Hα-helixtrans-60.2-47.2176.4-67.5165.1000110.3H140 G141 K146 L147 I148H140-I144 HydrophobicContact CB-CD1 4.4Å; H140-I144 WeakPolarHBondContact O-CG1 3.22Å; H140-I144 PolarHBondContact O-N 3.48Å; G141-I144 PolarHBondContact O-N 3.44Å; I144-K146 PolarHBondContact O-N 3.15Å; I144-L147 PolarHBondContact O-N 2.93Å; I144-I148 HydrophobicContact CG2-CD1 3.72Å; I144-I148 HydrophobicContact CG2-CG1 4.36Å; I144-I148 VanDerWaalsContact O-CG1 3.29Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 3.09Å
145S92.8Very high90.8Very high63 Ų6392.1 Ų92.144%0.44146%0.461SS..Hα-helixtrans-58.7-45.8178.1-59.30000112.2G141 Q142 L147 I148 E149G141-S145 PolarHBondContact O-N 3.39Å; G141-S145 VanDerWaalsContact O-N 3.1Å; G141-S145 PolarHBondContact O-OG 2.78Å; Q142-S145 PolarHBondContact O-N 3.41Å; S145-L147 PolarHBondContact O-N 3.17Å; S145-I148 PolarHBondContact O-N 3.11Å; S145-E149 WeakPolarHBondContact O-CG 3.16Å; S145-E149 PolarHBondContact O-N 3.01Å
146K91.7Very high91.3Very high131 Ų13193.4 Ų93.457%0.5747%0.467SS*.Hα-helixtrans-58.6-49176.1-70.6-178.8-179-176.60111.8Q142 R143 I144 I148 E149 Y150 I223Q142-K146 WeakPolarHBondContact O-CG 3.21Å; Q142-K146 PolarHBondContact O-N 3.38Å; Q142-K146 VanDerWaalsContact O-N 3.13Å; R143-K146 PolarHBondContact O-N 3.16Å; I144-K146 PolarHBondContact O-N 3.15Å; K146-I148 VanDerWaalsContact C-N 3.3Å; K146-I148 PolarHBondContact O-N 3.21Å; K146-E149 PolarHBondContact O-N 3.31Å; K146-Y150 PolarHBondContact O-N 3.39Å; K146-I223 HydrophobicContact CB-CD1 4.21Å; K146-I223 VanDerWaalsContact O-CD1 3.27Å; K146-I223 WeakPolarHBondContact O-CD1 3.06Å
147L93.5Very high91.7Very high55 Ų5596.7 Ų96.729%0.28847%0.471SS..Hα-helixtrans-59.7-40.8178.8-72.4169000112.1R143 I144 S145 Y150 Y151 I223R143-L147 HydrophobicContact CG-CD1 4.1Å; R143-L147 WeakPolarHBondContact O-CG 3.21Å; R143-L147 PolarHBondContact O-N 3.19Å; I144-L147 PolarHBondContact O-N 2.93Å; S145-L147 PolarHBondContact O-N 3.17Å; L147-Y150 PolarHBondContact O-N 3.28Å; L147-Y151 HydrophobicContact CD2-CE2 4.39Å; L147-Y151 WeakPolarHBondContact O-CD2 3.32Å; L147-Y151 PolarHBondContact O-N 3.25Å; L147-I223 HydrophobicContact CD2-CD1 4.01Å; L147-I223 HydrophobicContact CD2-CG2 4.08Å; L147-I223 HydrophobicContact CG-CD1 4.46Å
148I94.6Very high92.2Very high85 Ų8593.5 Ų93.544%0.43646%0.457SS..Hα-helixtrans-60.7-47.8176.4-71.1168.6000110.5I144 S145 K146 Y150 Y151 Q152I144-I148 HydrophobicContact CG2-CD1 3.72Å; I144-I148 HydrophobicContact CG2-CG1 4.36Å; I144-I148 VanDerWaalsContact O-CG1 3.29Å; I144-I148 WeakPolarHBondContact O-CG1 3.48Å; I144-I148 PolarHBondContact O-N 3.09Å; S145-I148 PolarHBondContact O-N 3.11Å; K146-I148 VanDerWaalsContact C-N 3.3Å; K146-I148 PolarHBondContact O-N 3.21Å; I148-Y150 PolarHBondContact O-N 2.95Å; I148-Y151 PolarHBondContact O-N 3.26Å; I148-Q152 HydrophobicContact CG2-CG 4.24Å; I148-Q152 VanDerWaalsContact O-CB 3.32Å; I148-Q152 WeakPolarHBondContact O-CB 3.1Å; I148-Q152 WeakPolarHBondContact O-CG 3.36Å; I148-Q152 PolarHBondContact O-N 3.34Å
149E93.3Very high92.5Very high101 Ų10197.2 Ų97.247%0.47247%0.47SS..Hα-helixtrans-60.1-44.5179.1-71.4172.9-173.900111.9S145 K146 Q152 Q153 I221S145-E149 WeakPolarHBondContact O-CG 3.16Å; S145-E149 PolarHBondContact O-N 3.01Å; K146-E149 PolarHBondContact O-N 3.31Å; E149-Q152 PolarHBondContact O-N 3.16Å; E149-Q153 WeakPolarHBondContact O-CG 3.46Å; E149-Q153 PolarHBondContact O-N 3.46Å; E149-Q153 VanDerWaalsContact O-N 3.07Å; E149-I221 HydrophobicContact CB-CD1 4.14Å
150Y92.8Very high92.5Very high78 Ų7897.1 Ų97.131%0.30646%0.461SS..Hα-helixtrans-60.1-51.9176.3171.7-106.9000113K146 L147 I148 Q152 Q153 L154 I221 I223K146-Y150 PolarHBondContact O-N 3.39Å; L147-Y150 PolarHBondContact O-N 3.28Å; I148-Y150 PolarHBondContact O-N 2.95Å; Y150-Q152 VanDerWaalsContact C-N 3.28Å; Y150-Q152 PolarHBondContact O-N 3.33Å; Y150-Q153 PolarHBondContact O-N 3.12Å; Y150-L154 PolarHBondContact O-N 2.89Å; Y150-I221 WeakPolarHBondContact CD2-O 3.49Å; Y150-I221 WeakPolarHBondContact CE2-O 3.25Å; Y150-I223 HydrophobicContact CD1-CD1 4.32Å; Y150-I223 HydrophobicContact CD2-CG1 4.3Å; Y150-I223 HydrophobicContact CG-CD1 3.8Å; Y150-I223 HydrophobicContact CG-CG1 4.06Å
151Y94.5Very high92.4Very high144 Ų14494.9 Ų94.957%0.56545%0.451SS*.Hα-helixtrans-68.6-28-179.9-76.1-63.6000112.6L147 I148 L154 A155L147-Y151 HydrophobicContact CD2-CE2 4.39Å; L147-Y151 WeakPolarHBondContact O-CD2 3.32Å; L147-Y151 PolarHBondContact O-N 3.25Å; I148-Y151 PolarHBondContact O-N 3.26Å; Y151-L154 HydrophobicContact CD1-CD2 4.2Å; Y151-L154 HydrophobicContact CE1-CD2 4.46Å; Y151-L154 PolarHBondContact O-N 2.99Å; Y151-A155 WeakPolarHBondContact O-CB 3.4Å; Y151-A155 PolarHBondContact O-N 3.05Å
152Q93.8Very high92.5Very high121 Ų121101.9 Ų101.957%0.56547%0.469SS*.Hα-helixtrans-64.3-43.7171.4-78.9175.53.500111.7I148 E149 Y150 H156I148-Q152 HydrophobicContact CG2-CG 4.24Å; I148-Q152 VanDerWaalsContact O-CB 3.32Å; I148-Q152 WeakPolarHBondContact O-CB 3.1Å; I148-Q152 WeakPolarHBondContact O-CG 3.36Å; I148-Q152 PolarHBondContact O-N 3.34Å; E149-Q152 PolarHBondContact O-N 3.16Å; Y150-Q152 VanDerWaalsContact C-N 3.28Å; Y150-Q152 PolarHBondContact O-N 3.33Å; Q152-H156 WeakPolarHBondContact O-CB 3.46Å; Q152-H156 PolarHBondContact O-N 3.42Å
153Q92.2Very high92.4Very high67 Ų6798.1 Ų98.131%0.31345%0.454SS..Hα-helixtrans-64.4-43.8175.2-71.1-172.5-12.500111.9E149 Y150 H156 R157 I221E149-Q153 WeakPolarHBondContact O-CG 3.46Å; E149-Q153 PolarHBondContact O-N 3.46Å; E149-Q153 VanDerWaalsContact O-N 3.07Å; Y150-Q153 PolarHBondContact O-N 3.12Å; Q153-H156 WeakPolarHBondContact O-CB 3.46Å; Q153-H156 PolarHBondContact O-N 3.14Å; Q153-R157 PolarHBondContact O-N 3.3Å; Q153-I221 VanDerWaalsContact CD-CD1 3.43Å; Q153-I221 HydrophobicContact CG-CD1 4.4Å; Q153-I221 VanDerWaalsContact OE1-CG1 3.29Å
154L91.8Very high92.2Very high78 Ų78100.2 Ų100.241%0.40846%0.462SS..Hα-helixtrans-61.9-46.6177.4-174.164.9000111.6Y150 Y151 H156 R157 E158Y150-L154 PolarHBondContact O-N 2.89Å; Y151-L154 HydrophobicContact CD1-CD2 4.2Å; Y151-L154 HydrophobicContact CE1-CD2 4.46Å; Y151-L154 PolarHBondContact O-N 2.99Å; L154-H156 VanDerWaalsContact C-N 3.29Å; L154-H156 PolarHBondContact O-N 3.06Å; L154-R157 WeakPolarHBondContact O-CB 3.48Å; L154-R157 PolarHBondContact O-N 3.15Å; L154-E158 PolarHBondContact O-N 2.89Å
155A94.2Very high91.9Very high52 Ų52101.5 Ų101.543%0.4346%0.464SS..Hα-helixtrans-63.2-35.2176.400000112.1Y151 K159Y151-A155 WeakPolarHBondContact O-CB 3.4Å; Y151-A155 PolarHBondContact O-N 3.05Å; A155-K159 VanDerWaalsContact O-CB 3.26Å; A155-K159 WeakPolarHBondContact O-CB 3.31Å; A155-K159 PolarHBondContact O-N 3.19Å
156H92.2Very high91.6Very high87 Ų87104.1 Ų104.140%0.40347%0.468SS..Hα-helixtrans-64.9-43.8174.5-174.8-97.5000111.5Q152 Q153 L154 K159 Q160Q152-H156 WeakPolarHBondContact O-CB 3.46Å; Q152-H156 PolarHBondContact O-N 3.42Å; Q153-H156 WeakPolarHBondContact O-CB 3.46Å; Q153-H156 PolarHBondContact O-N 3.14Å; L154-H156 VanDerWaalsContact C-N 3.29Å; L154-H156 PolarHBondContact O-N 3.06Å; H156-K159 PolarHBondContact O-N 3.48Å; H156-Q160 PolarHBondContact CE1-NE2 2.86Å; H156-Q160 WeakPolarHBondContact O-CG 3.48Å; H156-Q160 PolarHBondContact O-N 2.81Å
157R90.3Very high91.1Very high128 Ų128101.8 Ų101.848%0.48346%0.461SS..Hα-helixtrans-61.7-46.6175-169-177.3-62.3-163.1-3.2111.4Q153 L154 K159 Q160 E161 E220Q153-R157 PolarHBondContact O-N 3.3Å; L154-R157 WeakPolarHBondContact O-CB 3.48Å; L154-R157 PolarHBondContact O-N 3.15Å; R157-K159 PolarHBondContact O-N 3.26Å; R157-Q160 PolarHBondContact O-N 3.49Å; R157-E161 WeakPolarHBondContact O-CB 3.41Å; R157-E161 PolarHBondContact O-N 3.45Å; R157-E220 IonicContact CZ-OE1 3.29Å; R157-E220 VanDerWaalsContact CZ-OE1 3.29Å; R157-E220 IonicContact NH1-OE1 2.87Å; R157-E220 PolarHBondContact NH1-OE1 3.09Å; R157-E220 IonicContact NH2-OE1 2.76Å; R157-E220 PolarHBondContact NH2-OE1 3.17Å
158E94Very high90.4Very high112 Ų112101.6 Ų101.652%0.52347%0.467SS..Hα-helixtrans-60.9-43.5176.4-168.5-165.515900111.5L154 E161 R162L154-E158 PolarHBondContact O-N 2.89Å; E158-E161 PolarHBondContact O-N 3.4Å; E158-R162 VanDerWaalsContact O-CB 3.28Å; E158-R162 WeakPolarHBondContact O-CB 3.3Å; E158-R162 PolarHBondContact O-N 3.43Å
159K94.3Very high89.4Confident134 Ų134106.5 Ų106.558%0.58348%0.48SS*.Hα-helixtrans-60.8-47.9177.1-177.7-176.6175.7-173.30111.6A155 H156 R157 E161 R162 D163A155-K159 VanDerWaalsContact O-CB 3.26Å; A155-K159 WeakPolarHBondContact O-CB 3.31Å; A155-K159 PolarHBondContact O-N 3.19Å; H156-K159 PolarHBondContact O-N 3.48Å; R157-K159 PolarHBondContact O-N 3.26Å; K159-E161 VanDerWaalsContact C-N 3.31Å; K159-E161 PolarHBondContact O-N 2.99Å; K159-R162 PolarHBondContact O-N 3.26Å; K159-D163 WeakPolarHBondContact O-CB 3.48Å; K159-D163 PolarHBondContact O-N 2.8Å
160Q90.4Very high88.3Confident98 Ų98109.7 Ų109.746%0.45849%0.488SS..Hα-helixtrans-59.8-42.8176.8-74.2-177.8-20.800111.6H156 R157 D163 R164H156-Q160 PolarHBondContact CE1-NE2 2.86Å; H156-Q160 WeakPolarHBondContact O-CG 3.48Å; H156-Q160 PolarHBondContact O-N 2.81Å; R157-Q160 PolarHBondContact O-N 3.49Å; Q160-D163 PolarHBondContact O-N 3.43Å; Q160-R164 VanDerWaalsContact O-CB 3.3Å; Q160-R164 WeakPolarHBondContact O-CB 3.4Å; Q160-R164 PolarHBondContact O-N 2.82Å
161E88.9Confident86.8Confident72 Ų72110.6 Ų110.634%0.33649%0.491SS..Hα-helixtrans-65.1-42.1177.8-158.6-144.2164.600111.9R157 E158 K159 R164 K165R157-E161 WeakPolarHBondContact O-CB 3.41Å; R157-E161 PolarHBondContact O-N 3.45Å; E158-E161 PolarHBondContact O-N 3.4Å; K159-E161 VanDerWaalsContact C-N 3.31Å; K159-E161 PolarHBondContact O-N 2.99Å; E161-R164 PolarHBondContact O-N 3.41Å; E161-K165 WeakPolarHBondContact O-CB 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.46Å; E161-K165 PolarHBondContact O-N 3.3Å; E161-K165 WeakPolarHBondContact OE1-CE 3.42Å; E161-K165 IonicContact OE1-NZ 2.76Å; E161-K165 PolarHBondContact OE1-NZ 3.37Å; E161-K165 IonicContact OE2-NZ 2.61Å
162R92.1Very high85Confident173 Ų173112.1 Ų112.165%0.65350%0.503SS*.Hα-helixtrans-64.4-43.6177.1-167179.8-138.2174.78.3111.6E158 K159 K165 K166E158-R162 VanDerWaalsContact O-CB 3.28Å; E158-R162 WeakPolarHBondContact O-CB 3.3Å; E158-R162 PolarHBondContact O-N 3.43Å; K159-R162 PolarHBondContact O-N 3.26Å; R162-K165 PolarHBondContact O-N 2.83Å; R162-K166 VanDerWaalsContact O-CB 3.28Å; R162-K166 WeakPolarHBondContact O-CB 3.2Å; R162-K166 PolarHBondContact O-N 2.86Å
163D88.6Confident83.1Confident80 Ų80112 Ų11243%0.42851%0.514SS..Hα-helixtrans-66.3-40.5177-75.1-21.6000111K159 Q160 K166 L167K159-D163 WeakPolarHBondContact O-CB 3.48Å; K159-D163 PolarHBondContact O-N 2.8Å; Q160-D163 PolarHBondContact O-N 3.43Å; D163-K166 PolarHBondContact O-N 3.39Å; D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 PolarHBondContact O-N 3Å
164R86.5Confident81.2Confident166 Ų166115.4 Ų115.463%0.62653%0.532SS*.Hα-helixtrans-60.3-48.6172.1-175.7-17868.2-178.10.3111.7Q160 E161 K166 L167 A168Q160-R164 VanDerWaalsContact O-CB 3.3Å; Q160-R164 WeakPolarHBondContact O-CB 3.4Å; Q160-R164 PolarHBondContact O-N 2.82Å; E161-R164 PolarHBondContact O-N 3.41Å; R164-K166 VanDerWaalsContact C-N 3.35Å; R164-K166 PolarHBondContact O-N 3.11Å; R164-L167 PolarHBondContact O-N 2.65Å; R164-A168 WeakPolarHBondContact O-CB 3.35Å; R164-A168 PolarHBondContact O-N 3.17Å
165K86.6Confident78.9Confident107 Ų107117 Ų11747%0.46555%0.547SS..Hα-helixtrans-60.9-41.8175.9-80.6171.6167.2165.50111.6E161 R162 A168 R169E161-K165 WeakPolarHBondContact O-CB 3.49Å; E161-K165 WeakPolarHBondContact O-CG 3.46Å; E161-K165 PolarHBondContact O-N 3.3Å; E161-K165 WeakPolarHBondContact OE1-CE 3.42Å; E161-K165 IonicContact OE1-NZ 2.76Å; E161-K165 PolarHBondContact OE1-NZ 3.37Å; E161-K165 IonicContact OE2-NZ 2.61Å; R162-K165 PolarHBondContact O-N 2.83Å; K165-A168 PolarHBondContact O-N 3.07Å; K165-R169 WeakPolarHBondContact O-CB 3.32Å; K165-R169 WeakPolarHBondContact O-CG 3.46Å; K165-R169 PolarHBondContact O-N 3.27Å
166K87.3Confident76.8Confident117 Ų117123.1 Ų123.151%0.50957%0.572SS.*Hα-helixtrans-63.5-41.7176.6-172.8177.4-178.5179.30111.5R162 D163 R164 R170R162-K166 VanDerWaalsContact O-CB 3.28Å; R162-K166 WeakPolarHBondContact O-CB 3.2Å; R162-K166 PolarHBondContact O-N 2.86Å; D163-K166 PolarHBondContact O-N 3.39Å; R164-K166 VanDerWaalsContact C-N 3.35Å; R164-K166 PolarHBondContact O-N 3.11Å; K166-R170 WeakPolarHBondContact O-CG 3.34Å; K166-R170 PolarHBondContact O-N 2.84Å
167L81.4Confident74.6Confident82 Ų82122.1 Ų122.143%0.42958%0.578SS.*Hα-helixtrans-67.1-42.7175.3-170.968.6000111.6D163 R164 R170 R171D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 PolarHBondContact O-N 3Å; R164-L167 PolarHBondContact O-N 2.65Å; L167-R170 PolarHBondContact O-N 3.49Å; L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.04Å
168A77.8Confident72.8Confident51 Ų51122.4 Ų122.442%0.42158%0.583SS.*Hα-helixtrans-62.7-43.3177.100000112.3R164 K165 R170 R171 Q172R164-A168 WeakPolarHBondContact O-CB 3.35Å; R164-A168 PolarHBondContact O-N 3.17Å; K165-A168 PolarHBondContact O-N 3.07Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 3.3Å; A168-R171 WeakPolarHBondContact O-CB 3.46Å; A168-R171 PolarHBondContact O-N 3.38Å; A168-R171 VanDerWaalsContact O-N 3.12Å; A168-Q172 PolarHBondContact O-N 3.22Å
169R75.6Confident70.6Confident188 Ų188120 Ų12071%0.70958%0.578SS**Hα-helixtrans-62.9-38.8173.4-72.6178.3-177.9-166.70.5112.4K165 R171 Q172K165-R169 WeakPolarHBondContact O-CB 3.32Å; K165-R169 WeakPolarHBondContact O-CG 3.46Å; K165-R169 PolarHBondContact O-N 3.27Å; R169-R171 VanDerWaalsContact C-N 3.31Å; R169-R171 PolarHBondContact O-N 3.05Å; R169-Q172 PolarHBondContact O-N 3.3Å
170R68.9Low68.6Low169 Ų169120 Ų12064%0.63858%0.581SS**Hα-helixtrans-64.9-33.9172.4-76.7178.1175-165.4-3.7112.3K166 L167 A168 C173K166-R170 WeakPolarHBondContact O-CG 3.34Å; K166-R170 PolarHBondContact O-N 2.84Å; L167-R170 PolarHBondContact O-N 3.49Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 3.3Å; R170-C173 PolarHBondContact O-N 3.48Å
171R61.8Low66.3Low97 Ų97122.8 Ų122.837%0.36659%0.593SS.*Hα-helixtrans-72.3-29176.4-74.6-178.9-175.8-162.53.5113.6L167 A168 R169 C173 M174L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.04Å; A168-R171 WeakPolarHBondContact O-CB 3.46Å; A168-R171 PolarHBondContact O-N 3.38Å; A168-R171 VanDerWaalsContact O-N 3.12Å; R169-R171 VanDerWaalsContact C-N 3.31Å; R169-R171 PolarHBondContact O-N 3.05Å; R171-C173 PolarHBondContact O-N 3.15Å; R171-M174 PolarHBondContact O-N 2.98Å
172Q55.6Low64.3Low175 Ų175122.7 Ų122.782%0.81860%0.598SS**THydrogen-bonded Turntrans-62.2-19.7172.9-89.1173-1700113.5A168 R169A168-Q172 PolarHBondContact O-N 3.22Å; R169-Q172 PolarHBondContact O-N 3.3Å
173C54.1Low62.5Low118 Ų118117.7 Ų117.780%0.79758%0.584SS**THydrogen-bonded Turntrans-97.98.6175.4-153.80000113.4R170 R171R170-C173 PolarHBondContact O-N 3.48Å; R171-C173 PolarHBondContact O-N 3.15Å
174M52.1Low60.5Low139 Ų139119.8 Ų119.869%0.68559%0.59SS**SBendtrans-126.4139177.4-81.2-74.5-79.700110R171R171-M174 PolarHBondContact O-N 2.98Å
175P43.5Very low58.8Low112 Ų112115.9 Ų115.973%0.72759%0.585SS**  trans-59.8142.8-172.6-18.129.7000112.1A177P175-A177 PolarHBondContact O-N 3.25Å
176L50.7Low57.2Low181 Ų181114.4 Ų114.495%0.94859%0.585SS**SBendtrans-56.341.1179.3-79.4150000115.7
177A45.9Very low55.2Low65 Ų65116 Ų11654%0.53759%0.594SS.*  trans-85.1-8.7-178.200000114.2P175 T182P175-A177 PolarHBondContact O-N 3.25Å; A177-T182 PolarHBondContact O-OG1 3.3Å
178F52.7Low53.7Low134 Ų134120.5 Ų120.559%0.58861%0.61SS**  trans-126.563.2-175.7-85.1-89.5000112I183F178-I183 HydrophobicContact CD1-CD1 3.98Å; F178-I183 HydrophobicContact CD1-CG1 4.26Å; F178-I183 HydrophobicContact CE1-CD1 4.48Å
179S48.6Very low52.4Low61 Ų61126.1 Ų126.143%0.42762%0.621SS.*  trans-86149.9159.572.50000109H181 T182S179-H181 PolarHBondContact O-N 3.18Å; S179-T182 PolarHBondContact O-N 3Å; S179-T182 PolarHBondContact O-OG1 2.83Å
180Q51Low51.2Low134 Ų134120 Ų12063%0.62662%0.617SS**Hα-helixtrans-53.8-24.2177.9-89.2172.2-13.200113.1H184Q180-H184 PolarHBondContact O-N 3.36Å; Q180-H184 VanDerWaalsContact O-N 3.15Å
181H43.9Very low50.3Low157 Ų157118.6 Ų118.673%0.72762%0.621SS**Hα-helixtrans-67.6-37.9176.3-103.17000113.9S179 V185S179-H181 PolarHBondContact O-N 3.18Å; H181-V185 WeakPolarHBondContact O-CG2 3.46Å; H181-V185 PolarHBondContact O-N 3.32Å
182T47Very low49.6Very low70 Ų70116.6 Ų116.643%0.42963%0.63SS.*Hα-helixtrans-73.5-29.9177.738.40000112.5A177 S179 V186A177-T182 PolarHBondContact O-OG1 3.3Å; S179-T182 PolarHBondContact O-N 3Å; S179-T182 PolarHBondContact O-OG1 2.83Å; T182-V186 VanDerWaalsContact O-CG2 3.27Å; T182-V186 WeakPolarHBondContact O-CG2 3.33Å; T182-V186 PolarHBondContact O-N 2.87Å
183I52.2Low49Very low69 Ų69114.3 Ų114.335%0.35463%0.629SS.*Hα-helixtrans-70.8-46.6176.9-55.7177.3000110.7F178 V185 V186 E187F178-I183 HydrophobicContact CD1-CD1 3.98Å; F178-I183 HydrophobicContact CD1-CG1 4.26Å; F178-I183 HydrophobicContact CE1-CD1 4.48Å; I183-V185 VanDerWaalsContact C-N 3.3Å; I183-V185 PolarHBondContact O-N 3.1Å; I183-V186 PolarHBondContact O-N 3.24Å; I183-E187 WeakPolarHBondContact O-CB 3.43Å; I183-E187 PolarHBondContact O-N 2.79Å
184H48.2Very low48.6Very low123 Ų123120 Ų12057%0.56963%0.634SS**Hα-helixtrans-63.3-33.7178.1-102.4-71.7000113.2Q180 K188Q180-H184 PolarHBondContact O-N 3.36Å; Q180-H184 VanDerWaalsContact O-N 3.15Å; H184-K188 WeakPolarHBondContact O-CB 3.36Å; H184-K188 PolarHBondContact O-N 3.46Å
185V50.5Low48.1Very low84 Ų84121.6 Ų121.651%0.50964%0.644SS.*Hα-helixtrans-72.7-37.3177.2177.60000111H181 I183 Y189H181-V185 WeakPolarHBondContact O-CG2 3.46Å; H181-V185 PolarHBondContact O-N 3.32Å; I183-V185 VanDerWaalsContact C-N 3.3Å; I183-V185 PolarHBondContact O-N 3.1Å; V185-Y189 HydrophobicContact CG1-CD2 3.93Å; V185-Y189 HydrophobicContact CG1-CE2 4.37Å; V185-Y189 WeakPolarHBondContact O-CB 3.24Å; V185-Y189 WeakPolarHBondContact O-CD2 3.48Å; V185-Y189 PolarHBondContact O-N 3.18Å; V185-Y189 VanDerWaalsContact O-N 3.14Å
186V52.2Low47.8Very low77 Ų77123.2 Ų123.247%0.46764%0.642SS.*Hα-helixtrans-68.3-36.7175.6171.30000111.9T182 I183 G190T182-V186 VanDerWaalsContact O-CG2 3.27Å; T182-V186 WeakPolarHBondContact O-CG2 3.33Å; T182-V186 PolarHBondContact O-N 2.87Å; I183-V186 PolarHBondContact O-N 3.24Å; V186-G190 PolarHBondContact O-N 3.02Å
187E46Very low47.2Very low149 Ų149126.1 Ų126.170%0.69664%0.64SS**Hα-helixtrans-74.6-36.9179.5-142.1172.8-161.100112.4I183I183-E187 WeakPolarHBondContact O-CB 3.43Å; I183-E187 PolarHBondContact O-N 2.79Å
188K49.3Very low46.9Very low177 Ų177129.7 Ų129.777%0.7765%0.645SS**Hα-helixtrans-81.4-22.9-178.5-154.5176.3-171.8-177.80114H184H184-K188 WeakPolarHBondContact O-CB 3.36Å; H184-K188 PolarHBondContact O-N 3.46Å
189Y50.3Low46.1Very low169 Ų169134.5 Ų134.566%0.66366%0.66SS**THydrogen-bonded Turntrans-110.49.6178.2-68.2-83.8000114.4V185 L191V185-Y189 HydrophobicContact CG1-CD2 3.93Å; V185-Y189 HydrophobicContact CG1-CE2 4.37Å; V185-Y189 WeakPolarHBondContact O-CB 3.24Å; V185-Y189 WeakPolarHBondContact O-CD2 3.48Å; V185-Y189 PolarHBondContact O-N 3.18Å; V185-Y189 VanDerWaalsContact O-N 3.14Å; Y189-L191 PolarHBondContact O-N 3.16Å
190G49.7Very low45.3Very low59 Ų59137.4 Ų137.461%0.60868%0.677SS**THydrogen-bonded Turntrans61.220.3166.500000116.3V186 G192V186-G190 PolarHBondContact O-N 3.02Å; G190-G192 PolarHBondContact O-N 3.37Å
191L51.3Low44.9Very low141 Ų141134.9 Ų134.974%0.73869%0.687SS**  trans-86.124.8-178.2-89.2146.4000113.3Y189 T193Y189-L191 PolarHBondContact O-N 3.16Å; L191-T193 VanDerWaalsContact C-N 3.35Å; L191-T193 PolarHBondContact O-N 3.43Å
192G46.9Very low44.6Very low54 Ų54131.5 Ų131.556%0.55769%0.686SS**G310 helixtrans-80.4-0.4-176.900000116.1G190 R194G190-G192 PolarHBondContact O-N 3.37Å; G192-R194 PolarHBondContact O-N 2.86Å
193T43.8Very low44.1Very low128 Ų128133 Ų13379%0.78570%0.697SS**G310 helixtrans-86.65.7-171.233.20000115.8L191L191-T193 VanDerWaalsContact C-N 3.35Å; L191-T193 PolarHBondContact O-N 3.43Å
194R45Very low43.7Very low237 Ų237136.9 Ų136.989%0.89472%0.717SS**G310 helixtrans-123.911.1-178.5-71-167.7179.4-167.51.6117.2G192G192-R194 PolarHBondContact O-N 2.86Å
195L41Very low43.5Very low173 Ų173134.8 Ų134.891%0.90672%0.721SS**  trans-117.423.6169.1-76.2169.7000113.4R197L195-R197 PolarHBondContact O-N 3.04Å; L195-R197 VanDerWaalsContact O-N 3.09Å
196H38.3Very low43.2Very low146 Ų146136.2 Ų136.268%0.67673%0.73SS**  trans-83.765.6164.5-15576.8000110.4Q198H196-Q198 WeakPolarHBondContact NE2-CG 3.3Å; H196-Q198 PolarHBondContact NE2-NE2 3.19Å
197R38.3Very low42.7Very low241 Ų241137.5 Ų137.591%0.90973%0.734SS**  trans-106.192.1156-148.2176-170.21773.1106.8L195 R199L195-R197 PolarHBondContact O-N 3.04Å; L195-R197 VanDerWaalsContact O-N 3.09Å; R197-R199 PolarHBondContact O-N 3.26Å
198Q39.2Very low42.5Very low140 Ų140134.1 Ų134.165%0.65473%0.731SS**PPolyproline II helixtrans-52122.2172.9-64-1741800109.4H196H196-Q198 WeakPolarHBondContact NE2-CG 3.3Å; H196-Q198 PolarHBondContact NE2-NE2 3.19Å
199R35.4Very low42.2Very low235 Ų235128.1 Ų128.189%0.88772%0.719SS**PPolyproline II helixtrans-93.9119.3143.9-89.4-175.5175.1171.3-1.3106.2R197 G201R197-R199 PolarHBondContact O-N 3.26Å; R199-G201 PolarHBondContact O-N 3.27Å
200P32.8Very low41.8Very low123 Ų123123.3 Ų123.380%0.79971%0.705SS**THydrogen-bonded Turntrans-70.6129.517629.9-32000108.6
201G40.7Very low41.3Very low81 Ų81125.4 Ų125.484%0.83571%0.71SS**THydrogen-bonded Turntrans129.90.316500000118.6R199R199-G201 PolarHBondContact O-N 3.27Å
202A37.5Very low40.9Very low85 Ų85125.6 Ų125.670%0.70271%0.711SS**  trans-107.5118.3173.400000110.8
203P37.3Very low40.6Very low101 Ų101131.2 Ų131.266%0.65672%0.72SS**  trans-68.7138.6179.227.2-31000110.5A205P203-A205 PolarHBondContact O-N 2.65Å
204I43.8Very low40.3Very low152 Ų152134.4 Ų134.478%0.77973%0.726SS**G310 helixtrans-59.7-1.3180-65.1168.9000113.3T206 L207I204-T206 PolarHBondContact O-N 2.72Å; I204-T206 VanDerWaalsContact O-N 3.15Å; I204-L207 PolarHBondContact O-N 2.69Å
205A43.7Very low40.2Very low78 Ų78125.9 Ų125.965%0.64571%0.712SS**G310 helixtrans-65.4-14.5-178.900000115.1P203P203-A205 PolarHBondContact O-N 2.65Å
206T43.9Very low40.2Very low114 Ų114126.1 Ų126.170%0.69971%0.709SS**G310 helixtrans-83.9-10.7-178.741.50000115.1I204I204-T206 PolarHBondContact O-N 2.72Å; I204-T206 VanDerWaalsContact O-N 3.15Å
207L43.4Very low40.7Very low104 Ų104126.4 Ų126.455%0.54572%0.715SS.*THydrogen-bonded Turntrans-102.6-16.3177.6-68.2173.7000113.8I204 G209I204-L207 PolarHBondContact O-N 2.69Å; L207-G209 PolarHBondContact O-N 2.72Å; L207-G209 VanDerWaalsContact O-N 3.16Å
208A40.8Very low41.5Very low78 Ų78121.5 Ų121.565%0.64570%0.703SS**G310 helixtrans-71.2-3.4175.800000114L210A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 2.74Å
209G42.3Very low42.5Very low51 Ų51123.7 Ų123.753%0.52671%0.71SS.*G310 helixtrans-813.4177.700000115.4L207L207-G209 PolarHBondContact O-N 2.72Å; L207-G209 VanDerWaalsContact O-N 3.16Å
210L43.1Very low43.8Very low68 Ų68118.5 Ų118.536%0.35670%0.696SS.*G310 helixtrans-115.9-0.8-177.3-65.4176.7000114.6A208A208-L210 VanDerWaalsContact C-N 3.28Å; A208-L210 PolarHBondContact O-N 2.74Å
211S39.7Very low45.6Very low103 Ų103115.1 Ų115.172%0.7267%0.67SS**  trans-118.959.5169.8-160.30000108.8K213S211-K213 VanDerWaalsContact C-N 3.31Å; S211-K213 PolarHBondContact O-N 3.29Å
212L42.2Very low47.3Very low145 Ų145117 Ų11776%0.75967%0.666SS**  trans-72.9101.2153.4-84.1162.6000104.8E214L212-E214 PolarHBondContact O-N 3.43Å; L212-E214 VanDerWaalsContact O-N 3.16Å
213K39.9Very low49.6Very low173 Ų173115.2 Ų115.275%0.75264%0.644SS**  trans-41.2123.3151.2-77.6179.4170.2-177.10106.7S211 G215S211-K213 VanDerWaalsContact C-N 3.31Å; S211-K213 PolarHBondContact O-N 3.29Å; K213-G215 PolarHBondContact O-N 2.86Å; K213-G215 VanDerWaalsContact O-N 3.09Å
214E37.1Very low51.8Low195 Ų195118.4 Ų118.491%0.91165%0.65SS**SBendtrans-52118.9167.1-71.3175.7144.800107.8L212L212-E214 PolarHBondContact O-N 3.43Å; L212-E214 VanDerWaalsContact O-N 3.16Å
215G43Very low54Low58 Ų58116.8 Ų116.860%0.59865%0.65SS**  trans45.386.2162.200000117.2K213 D217K213-G215 PolarHBondContact O-N 2.86Å; K213-G215 VanDerWaalsContact O-N 3.09Å; G215-D217 VanDerWaalsContact C-N 3.32Å; G215-D217 PolarHBondContact O-N 2.91Å
216E42.6Very low56.2Low177 Ų177116.2 Ų116.283%0.82765%0.645SS**  -68109.1129.9-81.2-177.3162.900105.1Q218E216-Q218 VanDerWaalsContact C-N 3.29Å; E216-Q218 PolarHBondContact O-N 3.02Å
217D47.9Very low58.4Low153 Ų153119.2 Ų119.282%0.81865%0.651SS**  trans-47.790176.8-73.4-42.5000110.4G215 K219G215-D217 VanDerWaalsContact C-N 3.32Å; G215-D217 PolarHBondContact O-N 2.91Å; D217-K219 VanDerWaalsContact C-N 3.27Å; D217-K219 PolarHBondContact O-N 2.97Å
218Q55.2Low60.7Low138 Ų138118.2 Ų118.265%0.64566%0.658SS**  trans-64.8101.8158.8-72.9-174.13.900104.7E216 E220E216-Q218 VanDerWaalsContact C-N 3.29Å; E216-Q218 PolarHBondContact O-N 3.02Å; Q218-E220 PolarHBondContact O-N 3.22Å
219K61.2Low63Low185 Ų185120.7 Ų120.780%0.80466%0.66SS**  trans-35.8107.4176.5-67.5179.3179.5-179.60108.9D217 I221D217-K219 VanDerWaalsContact C-N 3.27Å; D217-K219 PolarHBondContact O-N 2.97Å; K219-I221 PolarHBondContact O-N 3.12Å
220E62.2Low65.3Low126 Ų126126.3 Ų126.359%0.58968%0.678SS**  trans-62.3113176.4-67.7-162.9132.900106.9R157 Q218 T222R157-E220 IonicContact CZ-OE1 3.29Å; R157-E220 VanDerWaalsContact CZ-OE1 3.29Å; R157-E220 IonicContact NH1-OE1 2.87Å; R157-E220 PolarHBondContact NH1-OE1 3.09Å; R157-E220 IonicContact NH2-OE1 2.76Å; R157-E220 PolarHBondContact NH2-OE1 3.17Å; Q218-E220 PolarHBondContact O-N 3.22Å; E220-T222 PolarHBondContact O-N 3.41Å; E220-T222 VanDerWaalsContact O-N 3.09Å
221I69.4Low67.6Low52 Ų52131.5 Ų131.527%0.26770%0.7SS.*  trans-72.1106.1172.4-62.8176.3000105.6E149 Y150 Q153 K219 I223E149-I221 HydrophobicContact CB-CD1 4.14Å; Y150-I221 WeakPolarHBondContact CD2-O 3.49Å; Y150-I221 WeakPolarHBondContact CE2-O 3.25Å; Q153-I221 VanDerWaalsContact CD-CD1 3.43Å; Q153-I221 HydrophobicContact CG-CD1 4.4Å; Q153-I221 VanDerWaalsContact OE1-CG1 3.29Å; K219-I221 PolarHBondContact O-N 3.12Å; I221-I223 HydrophobicContact CG2-CG1 4.16Å
222T77.8Confident70Confident120 Ų120132.4 Ų132.474%0.73670%0.701SS**PPolyproline II helixtrans-92.8121172.5-56.80000108.3E220E220-T222 PolarHBondContact O-N 3.41Å; E220-T222 VanDerWaalsContact O-N 3.09Å
223I84.7Confident72.3Confident48 Ų48134.3 Ų134.325%0.24671%0.706CS.*PPolyproline II helixtrans-103.2129.8173.2-66.8-172.2000108.9K146 L147 Y150 I221K146-I223 HydrophobicContact CB-CD1 4.21Å; K146-I223 VanDerWaalsContact O-CD1 3.27Å; K146-I223 WeakPolarHBondContact O-CD1 3.06Å; L147-I223 HydrophobicContact CD2-CD1 4.01Å; L147-I223 HydrophobicContact CD2-CG2 4.08Å; L147-I223 HydrophobicContact CG-CD1 4.46Å; Y150-I223 HydrophobicContact CD1-CD1 4.32Å; Y150-I223 HydrophobicContact CD2-CG1 4.3Å; Y150-I223 HydrophobicContact CG-CD1 3.8Å; Y150-I223 HydrophobicContact CG-CG1 4.06Å; I221-I223 HydrophobicContact CG2-CG1 4.16Å
224E84.6Confident74.7Confident169 Ų169131.5 Ų131.579%0.7971%0.705SS**PPolyproline II helixtrans-72.2129.5171-65.9178.6177.700110.1
225P88.4Confident77.3Confident118 Ų118127.2 Ų127.277%0.76669%0.688SS**PPolyproline II helixtrans-62.7157177.326.9-33.4000111Q227P225-Q227 PolarHBondContact O-N 2.85Å
226A90.6Very high79.6Confident66 Ų66128.1 Ų128.155%0.54568%0.684SS.*PPolyproline II helixtrans-59.6127174.600000109.6A228A226-A228 PolarHBondContact O-N 2.75Å
227Q90.7Very high81.9Confident176 Ų176127.6 Ų127.682%0.82268%0.681SS**PPolyproline II helixtrans-67.4122.8170.1-172.3173.812.100108.7P225P225-Q227 PolarHBondContact O-N 2.85Å
228A90.3Very high83.8Confident83 Ų83125.5 Ų125.569%0.68667%0.67SS**PPolyproline II helixtrans-72.5133.6170.400000108.6A226A226-A228 PolarHBondContact O-N 2.75Å
229L90.9Very high85.3Confident131 Ų131122.3 Ų122.369%0.68666%0.662SS**PPolyproline II helixtrans-84.4134.7170.8-65172000108.3
230D89.7Confident86.7Confident169 Ų169122 Ų12290%0.90466%0.657SS**SBendtrans-68.9-36.8178.2-64.7-37000111.4
231E90.5Very high88.1Confident177 Ų177121.9 Ų121.983%0.82767%0.665SS**SBendtrans-131.4134.8173.9-67.5-174.2170.300110.2
232V91.6Very high89.1Confident122 Ų122126.4 Ų126.474%0.73968%0.679SS**PPolyproline II helixtrans-86.8146.9175.7177.80000108.8
233E90.3Very high89.7Confident184 Ų184126.1 Ų126.186%0.8668%0.679SS**PPolyproline II helixtrans-49.3122.7176.3-67.3-179.7172.200111
234P91Very high89.9Confident115 Ų115130.1 Ų130.175%0.74770%0.7SS**PPolyproline II helixtrans-68.9161.8179.229.1-34.6000110.7
235L90.6Very high90.1Very high104 Ų104124.2 Ų124.255%0.54568%0.677SS.*PPolyproline II helixtrans-60131.9175.4-172.371.3000109.9E237 C239L235-E237 PolarHBondContact O-N 2.82Å; L235-C239 HydrophobicContact CD2-CB 3.89Å; L235-C239 HydrophobicContact CG-CB 4.05Å
236P90.9Very high90.2Very high78 Ų78125.2 Ų125.251%0.50668%0.675SS.*PPolyproline II helixtrans-56.2138.4178-26.135000112.5D238 C239P236-D238 PolarHBondContact O-N 3.16Å; P236-D238 VanDerWaalsContact O-N 3.15Å; P236-C239 WeakPolarHBondContact O-CB 3.24Å; P236-C239 PolarHBondContact O-N 3.34Å
237E90.5Very high90.1Very high165 Ų165127.2 Ų127.277%0.77168%0.683SS**THydrogen-bonded Turntrans-60.6-27.3-177.8-63.4-177.6-178.700112.8L235 C239 Y240L235-E237 PolarHBondContact O-N 2.82Å; E237-C239 PolarHBondContact O-N 3.15Å; E237-C239 VanDerWaalsContact O-N 3.14Å; E237-Y240 WeakPolarHBondContact O-CD2 3.38Å; E237-Y240 PolarHBondContact O-N 3.33Å; E237-Y240 VanDerWaalsContact O-N 3.12Å
238D87.7Confident90Very high110 Ų110123.5 Ų123.559%0.58867%0.665SS**Hα-helixtrans-55.4-29.1175.1-69.5-7.7000113P236 Y240 R242P236-D238 PolarHBondContact O-N 3.16Å; P236-D238 VanDerWaalsContact O-N 3.15Å; D238-Y240 PolarHBondContact O-N 2.66Å; D238-R242 WeakPolarHBondContact O-CB 3.3Å; D238-R242 PolarHBondContact O-N 3.24Å; D238-R242 VanDerWaalsContact O-N 3.17Å
239C87.2Confident90Very high71 Ų71122.4 Ų122.448%0.4865%0.65SS.*Hα-helixtrans-67.5-21.6-179.1-68.90000113.4L235 P236 E237L235-C239 HydrophobicContact CD2-CB 3.89Å; L235-C239 HydrophobicContact CG-CB 4.05Å; P236-C239 WeakPolarHBondContact O-CB 3.24Å; P236-C239 PolarHBondContact O-N 3.34Å; E237-C239 PolarHBondContact O-N 3.15Å; E237-C239 VanDerWaalsContact O-N 3.14Å
240Y90.7Very high90.1Very high177 Ų177116.5 Ų116.569%0.69462%0.619SS**Hα-helixtrans-84.3-34-176.6-63.9-73.1000113.5E237 D238E237-Y240 WeakPolarHBondContact O-CD2 3.38Å; E237-Y240 PolarHBondContact O-N 3.33Å; E237-Y240 VanDerWaalsContact O-N 3.12Å; D238-Y240 PolarHBondContact O-N 2.66Å
241T92.6Very high90.3Very high125 Ų125112.2 Ų112.277%0.76760%0.599SS**Hα-helixtrans-112.4-18.2-169.758.20000113.5
242R90.4Very high90.4Very high147 Ų147109.9 Ų109.956%0.55559%0.592SS**SBendtrans-81.1131.8-177.4-175.4177.6167.8174.6-5.2112D238 I244 E248D238-R242 WeakPolarHBondContact O-CB 3.3Å; D238-R242 PolarHBondContact O-N 3.24Å; D238-R242 VanDerWaalsContact O-N 3.17Å; R242-I244 PolarHBondContact O-N 2.8Å; R242-E248 IonicContact NH2-OE2 3.45Å; R242-E248 PolarHBondContact NH2-OE2 2.98Å
243P90.5Very high90.5Very high114 Ų114112.4 Ų112.474%0.7459%0.588SS**PPolyproline II helixtrans-66.1133.4170.427.7-33.6000110.9
244I88Confident90.5Very high131 Ų131105.2 Ų105.267%0.67256%0.555SS**PPolyproline II helixtrans-91.4124.1-176.1-59.5171000110.2R242 V249R242-I244 PolarHBondContact O-N 2.8Å; I244-V249 HydrophobicContact CG2-CG1 4.31Å
245S89.4Confident90.5Very high45 Ų45103.6 Ų103.632%0.31553%0.534SS..  trans-90.5115.2172.1-1770000110P247 E248S245-P247 VanDerWaalsContact C-CD 3.47Å; S245-P247 WeakPolarHBondContact OG-CD 3.28Å; S245-E248 VanDerWaalsContact CB-CD 3.48Å; S245-E248 WeakPolarHBondContact CB-OE1 3.39Å; S245-E248 WeakPolarHBondContact O-CB 3.45Å; S245-E248 PolarHBondContact O-N 3.39Å; S245-E248 VanDerWaalsContact O-N 3.09Å
246L89.9Confident90.6Very high139 Ų139103.4 Ų103.473%0.72853%0.533SS*.G310 helixtrans-58.5-35.7-178.8-63.7179.2000114.4E248 V249L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 2.93Å; L246-V249 WeakPolarHBondContact O-CG2 3.34Å; L246-V249 PolarHBondContact O-N 2.84Å; L246-V249 VanDerWaalsContact O-O 3.14Å
247P87.9Confident90.6Very high108 Ų108103.3 Ų103.370%0.70153%0.527SS*.G310 helixtrans-66.6-22.7174.9-24.435.4000115S245S245-P247 VanDerWaalsContact C-CD 3.47Å; S245-P247 WeakPolarHBondContact OG-CD 3.28Å
248E88.4Confident90.5Very high99 Ų9995.8 Ų95.846%0.46349%0.492SS..G310 helixtrans-78.7-24.3179.5-69.5172.9-156.200112.1R242 S245 L246 G265 A266R242-E248 IonicContact NH2-OE2 3.45Å; R242-E248 PolarHBondContact NH2-OE2 2.98Å; S245-E248 VanDerWaalsContact CB-CD 3.48Å; S245-E248 WeakPolarHBondContact CB-OE1 3.39Å; S245-E248 WeakPolarHBondContact O-CB 3.45Å; S245-E248 PolarHBondContact O-N 3.39Å; S245-E248 VanDerWaalsContact O-N 3.09Å; L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 PolarHBondContact O-N 2.93Å; E248-G265 WeakPolarHBondContact O-CA 3.48Å; E248-A266 WeakPolarHBondContact O-CB 3.23Å; E248-A266 PolarHBondContact O-N 3.21Å
249V92.1Very high90.6Very high60 Ų6094 Ų9436%0.36449%0.487SS..BIsolated β-bridgetrans-96.3137.9179-64.50000111.1I244 L246I244-V249 HydrophobicContact CG2-CG1 4.31Å; L246-V249 WeakPolarHBondContact O-CG2 3.34Å; L246-V249 PolarHBondContact O-N 2.84Å; L246-V249 VanDerWaalsContact O-O 3.14Å
250T92.4Very high90.7Very high7 Ų793.7 Ų93.74%0.04348%0.48CS..PPolyproline II helixtrans-80.6141.7178.657.30000111.3R255 P263 A264 L269T250-R255 PolarHBondContact O-NE 3.41Å; T250-R255 PolarHBondContact O-NH2 2.79Å; T250-R255 WeakPolarHBondContact OG1-CG 3.42Å; T250-R255 PolarHBondContact OG1-NE 2.85Å; T250-P263 PolarHBondContact OG1-O 2.89Å; T250-A264 PolarHBondContact N-O 2.88Å; T250-A264 PolarHBondContact OG1-O 2.71Å; T250-A264 VanDerWaalsContact OG1-O 3.11Å; T250-L269 HydrophobicContact CG2-CB 4.26Å; T250-L269 HydrophobicContact CG2-CD1 4.35Å; T250-L269 HydrophobicContact CG2-CD2 4.21Å; T250-L269 HydrophobicContact CG2-CG 4.5Å
251T93.3Very high90.6Very high79 Ų7988.6 Ų88.649%0.48546%0.462SS..PPolyproline II helixtrans-73157.3173.464.20000111.3R253 Q254 R255T251-R253 VanDerWaalsContact C-N 3.26Å; T251-R253 PolarHBondContact O-N 3.21Å; T251-Q254 WeakPolarHBondContact O-CB 3.24Å; T251-Q254 PolarHBondContact O-N 3.09Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.42Å; T251-Q254 PolarHBondContact OG1-OE1 3.48Å; T251-Q254 VanDerWaalsContact OG1-OE1 3.11Å; T251-R255 PolarHBondContact O-N 3.36Å
252L93.4Very high90.4Very high127 Ų12787.3 Ų87.367%0.66545%0.447SS*.Hα-helixtrans-52.6-44.4178.2-179.166.6000112.4Q254 R255 L256L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 3.41Å; L252-R255 PolarHBondContact O-N 3.05Å; L252-L256 HydrophobicContact CD1-CD1 4.19Å; L252-L256 HydrophobicContact CD1-CG 4.24Å; L252-L256 HydrophobicContact CG-CD1 4.01Å; L252-L256 HydrophobicContact CG-CG 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 3.01Å
253R92.3Very high90.3Very high175 Ų17580.4 Ų80.466%0.6642%0.421SS*.Hα-helixtrans-61.6-39.7-179.6-166.4-177.3173.7-173.3-6.9111.6M80 T251 L257M80-R253 VanDerWaalsContact CE-CD 3.44Å; M80-R253 HydrophobicContact CE-CG 3.55Å; M80-R253 VanDerWaalsContact SD-CZ 3.57Å; M80-R253 PolarHBondContact SD-NH2 3.23Å; T251-R253 VanDerWaalsContact C-N 3.26Å; T251-R253 PolarHBondContact O-N 3.21Å; R253-L257 WeakPolarHBondContact O-CG 3.38Å; R253-L257 PolarHBondContact O-N 2.8Å
254Q90.6Very high90.2Very high34 Ų3477.4 Ų77.416%0.15941%0.406CS..Hα-helixtrans-67.8-41.7177.3-65.9165.2-2300111.5P77 C78 T251 L252 L256 L257 L269P77-Q254 WeakPolarHBondContact O-CG 3.45Å; C78-Q254 PolarHBondContact O-NE2 3.43Å; C78-Q254 VanDerWaalsContact O-NE2 3.07Å; T251-Q254 WeakPolarHBondContact O-CB 3.24Å; T251-Q254 PolarHBondContact O-N 3.09Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.42Å; T251-Q254 PolarHBondContact OG1-OE1 3.48Å; T251-Q254 VanDerWaalsContact OG1-OE1 3.11Å; L252-Q254 VanDerWaalsContact C-N 3.31Å; L252-Q254 PolarHBondContact O-N 3.41Å; Q254-L256 PolarHBondContact O-N 3.41Å; Q254-L257 PolarHBondContact O-N 2.96Å; Q254-L269 HydrophobicContact CB-CD1 4.48Å; Q254-L269 HydrophobicContact CB-CD2 4.48Å
255R91.9Very high90.3Very high81 Ų8172.1 Ų72.131%0.30638%0.384SS..Hα-helixtrans-61-44.9175.7-64.9-175.5-168.5-178.20.5112.2T250 T251 L252 L257 Q258 Q262 P263 A264T250-R255 PolarHBondContact O-NE 3.41Å; T250-R255 PolarHBondContact O-NH2 2.79Å; T250-R255 WeakPolarHBondContact OG1-CG 3.42Å; T250-R255 PolarHBondContact OG1-NE 2.85Å; T251-R255 PolarHBondContact O-N 3.36Å; L252-R255 PolarHBondContact O-N 3.05Å; R255-L257 PolarHBondContact O-N 3.13Å; R255-Q258 CarbonylContact O-C 3.59Å; R255-Q258 VanDerWaalsContact O-C 3.23Å; R255-Q258 WeakPolarHBondContact O-CA 3.5Å; R255-Q258 PolarHBondContact O-N 2.75Å; R255-Q262 HydrophobicContact CB-CB 4.45Å; R255-P263 WeakPolarHBondContact CG-O 3.37Å; R255-A264 PolarHBondContact NH2-O 2.87Å
256L92.4Very high90.3Very high100 Ų10071.7 Ų71.752%0.52438%0.383SS..Hα-helixtrans-68.8-21-178.7-68.1178.6000113.4L252 Q254 Q258L252-L256 HydrophobicContact CD1-CD1 4.19Å; L252-L256 HydrophobicContact CD1-CG 4.24Å; L252-L256 HydrophobicContact CG-CD1 4.01Å; L252-L256 HydrophobicContact CG-CG 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 3.01Å; Q254-L256 PolarHBondContact O-N 3.41Å; L256-Q258 PolarHBondContact O-N 2.93Å
257L90.3Very high90.2Very high75 Ų7568.7 Ų68.739%0.39337%0.374SS..Hα-helixtrans-70-19.1170.1-72.3-178.1000113M80 R253 Q254 R255 P259 R272M80-L257 HydrophobicContact CE-CD1 3.28Å; M80-L257 HydrophobicContact CE-CG 4.06Å; M80-L257 HydrophobicContact CG-CD1 3.72Å; M80-L257 HydrophobicContact SD-CD1 3.85Å; R253-L257 WeakPolarHBondContact O-CG 3.38Å; R253-L257 PolarHBondContact O-N 2.8Å; Q254-L257 PolarHBondContact O-N 2.96Å; R255-L257 PolarHBondContact O-N 3.13Å; L257-P259 VanDerWaalsContact C-CD 3.49Å; L257-P259 WeakPolarHBondContact O-CD 3.42Å; L257-R272 WeakPolarHBondContact O-CD 3.41Å; L257-R272 PolarHBondContact O-NH1 2.93Å
258Q89.4Confident90.2Very high8 Ų868.6 Ų68.64%0.03736%0.364CS..  trans-122.469.7176.2-169.9152.126.100110.7R255 L256 D260 F261 Q262 H270R255-Q258 CarbonylContact O-C 3.59Å; R255-Q258 VanDerWaalsContact O-C 3.23Å; R255-Q258 WeakPolarHBondContact O-CA 3.5Å; R255-Q258 PolarHBondContact O-N 2.75Å; L256-Q258 PolarHBondContact O-N 2.93Å; Q258-D260 PolarHBondContact O-N 3.38Å; Q258-F261 HydrophobicContact CG-CD1 4.32Å; Q258-F261 HydrophobicContact CG-CD2 4.48Å; Q258-F261 HydrophobicContact CG-CE1 3.92Å; Q258-F261 HydrophobicContact CG-CE2 4.08Å; Q258-F261 HydrophobicContact CG-CZ 3.83Å; Q258-Q262 WeakPolarHBondContact O-CA 3.41Å; Q258-Q262 PolarHBondContact O-N 2.86Å; Q258-H270 PolarHBondContact OE1-O 2.93Å
259P90.3Very high90.3Very high73 Ų7364 Ų6447%0.47434%0.343SS..THydrogen-bonded Turntrans-69.1-16.5-174.132-35.1000113.4L257 F261L257-P259 VanDerWaalsContact C-CD 3.49Å; L257-P259 WeakPolarHBondContact O-CD 3.42Å; P259-F261 VanDerWaalsContact C-N 3.3Å; P259-F261 PolarHBondContact O-N 3.46Å
260D88.8Confident90.2Very high64 Ų6463.2 Ų63.234%0.34234%0.335SS..THydrogen-bonded Turntrans-64.8-32.3-176.5-62-68.8000112.6Q258 R272Q258-D260 PolarHBondContact O-N 3.38Å; D260-R272 IonicContact OD2-CZ 3.32Å; D260-R272 IonicContact OD2-NH1 2.74Å; D260-R272 IonicContact OD2-NH2 3.3Å; D260-R272 PolarHBondContact OD2-NH2 3.35Å
261F87.4Confident90.2Very high69 Ų6963.1 Ų63.130%0.30333%0.334SS..THydrogen-bonded Turntrans-148.9-5.117957.7-99000115.6P136 Q258 P259 P263P136-F261 HydrophobicContact CB-CE1 4.49Å; Q258-F261 HydrophobicContact CG-CD1 4.32Å; Q258-F261 HydrophobicContact CG-CD2 4.48Å; Q258-F261 HydrophobicContact CG-CE1 3.92Å; Q258-F261 HydrophobicContact CG-CE2 4.08Å; Q258-F261 HydrophobicContact CG-CZ 3.83Å; P259-F261 VanDerWaalsContact C-N 3.3Å; P259-F261 PolarHBondContact O-N 3.46Å; F261-P263 HydrophobicContact CD2-CB 4.17Å; F261-P263 HydrophobicContact CD2-CG 4.15Å; F261-P263 HydrophobicContact CE2-CB 4.01Å; F261-P263 HydrophobicContact CE2-CG 3.79Å
262Q89.9Confident90.2Very high98 Ų9861 Ų6146%0.45832%0.317SS..  trans45.166.1170-60.7-173.8-14.500115.3R255 Q258 A264R255-Q262 HydrophobicContact CB-CB 4.45Å; Q258-Q262 WeakPolarHBondContact O-CA 3.41Å; Q258-Q262 PolarHBondContact O-N 2.86Å; Q262-A264 PolarHBondContact O-N 3.42Å
263P88.6Confident90.2Very high3 Ų356.5 Ų56.52%0.01929%0.293CS..  trans-64.8130.3-171.526.6-33000112.2T250 R255 F261 Q268 L269T250-P263 PolarHBondContact OG1-O 2.89Å; R255-P263 WeakPolarHBondContact CG-O 3.37Å; F261-P263 HydrophobicContact CD2-CB 4.17Å; F261-P263 HydrophobicContact CD2-CG 4.15Å; F261-P263 HydrophobicContact CE2-CB 4.01Å; F261-P263 HydrophobicContact CE2-CG 3.79Å; P263-Q268 HydrophobicContact CB-CB 3.5Å; P263-Q268 VanDerWaalsContact CB-CB 3.5Å; P263-L269 HydrophobicContact CG-CD1 4.01Å
264A88.3Confident90.3Very high51 Ų5149.1 Ų49.142%0.42127%0.266SS..SBendtrans-77.7-32.7178.500000113.1T250 R255 Q262T250-A264 PolarHBondContact N-O 2.88Å; T250-A264 PolarHBondContact OG1-O 2.71Å; T250-A264 VanDerWaalsContact OG1-O 3.11Å; R255-A264 PolarHBondContact NH2-O 2.87Å; Q262-A264 PolarHBondContact O-N 3.42Å
265G89.5Confident90.5Very high20 Ų2052.5 Ų52.521%0.20628%0.281CS..BIsolated β-bridgetrans-98.9146.9179.300000113.1E248 S267 Q268E248-G265 WeakPolarHBondContact O-CA 3.48Å; G265-S267 VanDerWaalsContact C-N 3.25Å; G265-S267 PolarHBondContact O-N 3.35Å; G265-Q268 PolarHBondContact O-N 3.03Å
266A88.8Confident90.6Very high35 Ų3549 Ų4929%0.28927%0.268SS..G310 helixtrans-64.1-28.4-179.300000113.2V121 E248 Q268 L269V121-A266 WeakPolarHBondContact CG1-O 3.46Å; E248-A266 WeakPolarHBondContact O-CB 3.23Å; E248-A266 PolarHBondContact O-N 3.21Å; A266-Q268 VanDerWaalsContact C-N 3.25Å; A266-Q268 PolarHBondContact O-N 2.87Å; A266-L269 VanDerWaalsContact O-CB 3.23Å; A266-L269 WeakPolarHBondContact O-CB 3.49Å; A266-L269 PolarHBondContact O-N 3.4Å; A266-L269 VanDerWaalsContact O-N 3.16Å
267S88.8Confident90.8Very high77 Ų7748 Ų4854%0.53826%0.263SS..G310 helixtrans-64.8-27.4177.353.80000113.6V121 G265 L269V121-S267 WeakPolarHBondContact CB-O 3.29Å; G265-S267 VanDerWaalsContact C-N 3.25Å; G265-S267 PolarHBondContact O-N 3.35Å; S267-L269 VanDerWaalsContact C-N 3.33Å
268Q88.4Confident90.9Very high105 Ų10549.5 Ų49.549%0.49127%0.269SS..G310 helixtrans-921.9179-62.8170.56.300112.1P263 G265 A266 H270P263-Q268 HydrophobicContact CB-CB 3.5Å; P263-Q268 VanDerWaalsContact CB-CB 3.5Å; G265-Q268 PolarHBondContact O-N 3.03Å; A266-Q268 VanDerWaalsContact C-N 3.25Å; A266-Q268 PolarHBondContact O-N 2.87Å; Q268-H270 PolarHBondContact O-CD2 3.02Å; Q268-H270 VanDerWaalsContact O-CD2 3.25Å; Q268-H270 PolarHBondContact O-N 2.89Å; Q268-H270 VanDerWaalsContact O-N 3.15Å
269L89.2Confident91.1Very high4 Ų450.2 Ų50.22%0.02127%0.272CS..  trans-84.888.6-175.3-172.968.6000110.6P77 T250 Q254 P263 A266 S267P77-L269 HydrophobicContact CB-CD1 3.96Å; P77-L269 HydrophobicContact CB-CD2 3.74Å; P77-L269 HydrophobicContact CB-CG 3.54Å; P77-L269 HydrophobicContact CG-CD2 3.9Å; P77-L269 HydrophobicContact CG-CG 3.79Å; T250-L269 HydrophobicContact CG2-CB 4.26Å; T250-L269 HydrophobicContact CG2-CD1 4.35Å; T250-L269 HydrophobicContact CG2-CD2 4.21Å; T250-L269 HydrophobicContact CG2-CG 4.5Å; Q254-L269 HydrophobicContact CB-CD1 4.48Å; Q254-L269 HydrophobicContact CB-CD2 4.48Å; P263-L269 HydrophobicContact CG-CD1 4.01Å; A266-L269 VanDerWaalsContact O-CB 3.23Å; A266-L269 WeakPolarHBondContact O-CB 3.49Å; A266-L269 PolarHBondContact O-N 3.4Å; A266-L269 VanDerWaalsContact O-N 3.16Å; S267-L269 VanDerWaalsContact C-N 3.33Å
270H90.7Very high91.2Very high43 Ų4353.1 Ų53.120%0.19927%0.274CS..  trans-80.2145.1-179-65.7-72000112.5P136 Q258 Q268P136-H270 HydrophobicContact CG-CB 4.45Å; Q258-H270 PolarHBondContact OE1-O 2.93Å; Q268-H270 PolarHBondContact O-CD2 3.02Å; Q268-H270 VanDerWaalsContact O-CD2 3.25Å; Q268-H270 PolarHBondContact O-N 2.89Å; Q268-H270 VanDerWaalsContact O-N 3.15Å
271P92.6Very high91.5Very high4 Ų450.1 Ų50.13%0.02626%0.258CS..  trans-66.1141.5173.431-35.2000109.9L83 L109 W116 M123L83-P271 HydrophobicContact CD1-CB 3.56Å; L83-P271 HydrophobicContact CD1-CG 4.48Å; L109-P271 HydrophobicContact CD1-CG 4.15Å; W116-P271 HydrophobicContact CH2-CB 3.9Å; W116-P271 HydrophobicContact CH2-CG 3.8Å; W116-P271 HydrophobicContact CZ3-CB 4.36Å; M123-P271 HydrophobicContact CE-CG 4.08Å; M123-P271 WeakPolarHBondContact SD-CD 3.41Å; M123-P271 HydrophobicContact SD-CG 3.8Å
272R91.8Very high91.9Very high35 Ų3547 Ų4713%0.13225%0.245CC..EExtended strand (participates in β ladder)trans-106.2151.5175.8-62.9-166.675.5171.621.5111.5F74 D75 E135 L257 D260F74-R272 CarbonylContact C-O 3.58Å; F74-R272 WeakPolarHBondContact CA-O 3.48Å; D75-R272 PolarHBondContact N-O 3.03Å; E135-R272 VanDerWaalsContact OE1-CA 3.22Å; E135-R272 WeakPolarHBondContact OE1-CA 3.14Å; L257-R272 WeakPolarHBondContact O-CD 3.41Å; L257-R272 PolarHBondContact O-NH1 2.93Å; D260-R272 IonicContact OD2-CZ 3.32Å; D260-R272 IonicContact OD2-NH1 2.74Å; D260-R272 IonicContact OD2-NH2 3.3Å; D260-R272 PolarHBondContact OD2-NH2 3.35Å
273H93.8Very high92.1Very high32 Ų3246 Ų4615%0.14824%0.237CC..EExtended strand (participates in β ladder)trans-57.2141.5172-75.4-75.6000111.1R69 C70 A71 C73 F74 E135R69-H273 HydrophobicContact CB-CB 3.58Å; R69-H273 WeakPolarHBondContact CD-O 3.24Å; R69-H273 HydrophobicContact CG-CB 4.17Å; R69-H273 PolarHBondContact NH1-O 3.21Å; C70-H273 WeakPolarHBondContact O-CB 3.37Å; C70-H273 PolarHBondContact O-ND1 3.12Å; A71-H273 PolarHBondContact O-CE1 3.07Å; A71-H273 PolarHBondContact O-ND1 3.23Å; C73-H273 WeakPolarHBondContact O-CA 3.4Å; F74-H273 AromaticContact CD1-ND1 3.95Å; F74-H273 AromaticContact CE1-CE1 3.26Å; F74-H273 WeakPolarHBondContact CE1-CE1 3.18Å; F74-H273 AromaticContact CE1-CG 3.82Å; F74-H273 AromaticContact CE1-ND1 3.35Å; F74-H273 WeakPolarHBondContact CE1-ND1 3.15Å; F74-H273 AromaticContact CE1-NE2 3.68Å; F74-H273 AromaticContact CZ-CE1 3.24Å; F74-H273 WeakPolarHBondContact CZ-CE1 3.46Å; F74-H273 AromaticContact CZ-ND1 3.56Å; E135-H273 VanDerWaalsContact CD-CD2 3.49Å; E135-H273 IonicContact OE1-CD2 3.42Å; E135-H273 PolarHBondContact OE1-CD2 2.94Å; E135-H273 IonicContact OE1-CG 3.27Å; E135-H273 PolarHBondContact OE1-N 3.46Å
274K94.2Very high92.3Very high21 Ų2145.9 Ų45.99%0.09124%0.236CC..EExtended strand (participates in β ladder)trans-64.8137-174.7-173.5164.8-162.6870111.5P52 R69 C70 C73 D75 T82P52-K274 HydrophobicContact CG-CD 4.28Å; R69-K274 WeakPolarHBondContact CA-O 3.44Å; C70-K274 HydrophobicContact CB-CB 4.45Å; C70-K274 PolarHBondContact N-O 3.18Å; C73-K274 HydrophobicContact CB-CB 3.72Å; C73-K274 HydrophobicContact CB-CD 4Å; C73-K274 HydrophobicContact CB-CG 4.47Å; C73-K274 WeakPolarHBondContact O-CB 3.37Å; C73-K274 PolarHBondContact O-N 2.98Å; D75-K274 WeakPolarHBondContact OD1-CG 3.41Å; D75-K274 IonicContact OD1-NZ 3.77Å; D75-K274 PolarHBondContact OD1-NZ 3.17Å; D75-K274 WeakPolarHBondContact OD2-CA 3.23Å; T82-K274 HydrophobicContact CG2-CD 4.15Å; T82-K274 PolarHBondContact OG1-NZ 2.9Å
275H94.9Very high92.4Very high104 Ų10449.8 Ų49.848%0.48124%0.239SC..EExtended strand (participates in β ladder)trans-69.4131.8178.6-156.9-66.6000111.2
276L95.7Very high92.3Very high8 Ų855 Ų554%0.04226%0.256CS..PPolyproline II helixtrans-73.7145.8174.1-60170.8000110.6H49 C51 M58 A63 N68 C70H49-L276 HydrophobicContact CB-CD1 4.22Å; C51-L276 HydrophobicContact CB-CD2 3.98Å; M58-L276 HydrophobicContact CE-CD1 3.17Å; M58-L276 HydrophobicContact CE-CD2 3.88Å; M58-L276 HydrophobicContact CE-CG 4.03Å; A63-L276 HydrophobicContact CB-CD1 4.08Å; N68-L276 WeakPolarHBondContact O-CB 3.49Å; N68-L276 WeakPolarHBondContact O-CG 3.45Å; N68-L276 PolarHBondContact O-N 2.64Å; C70-L276 HydrophobicContact CB-CD2 3.97Å
277L95.1Very high92.4Very high80 Ų8055 Ų5542%0.41925%0.254SS..EExtended strand (participates in β ladder)trans-94.8164.8166.6-60.7-172.8000109.9H49 Y50 P52H49-L277 CarbonylContact C-O 3.54Å; H49-L277 VanDerWaalsContact CA-O 3.3Å; H49-L277 WeakPolarHBondContact CA-O 3.42Å; Y50-L277 HydrophobicContact CD1-CB 4.34Å; Y50-L277 HydrophobicContact CE1-CB 3.81Å; Y50-L277 HydrophobicContact CE2-CB 4.31Å; Y50-L277 HydrophobicContact CE2-CD1 4.45Å; Y50-L277 PolarHBondContact N-O 3.4Å; Y50-L277 PolarHBondContact O-N 3.31Å; P52-L277 HydrophobicContact CB-CD1 3.77Å; P52-L277 HydrophobicContact CB-CG 4.19Å; P52-L277 HydrophobicContact CG-CD1 4.13Å; P52-L277 HydrophobicContact CG-CG 4.04Å
278M93.3Very high92.5Very high105 Ų10558.3 Ų58.352%0.51726%0.261SS..EExtended strand (participates in β ladder)trans-120.4145.2176.966.4179.274.400111.2V46 S48V46-M278 HydrophobicContact CG1-CB 4.2Å; V46-M278 HydrophobicContact CG2-SD 3.83Å; S48-M278 CarbonylContact O-C 3.56Å; S48-M278 VanDerWaalsContact O-CA 3.3Å; S48-M278 WeakPolarHBondContact O-CA 3.36Å
279K92.6Very high92.6Very high23 Ų2356.9 Ų56.910%0.125%0.254CS..EExtended strand (participates in β ladder)trans-90.1128.9164.8-70.7-171.3167.4-173.80109.2D47 S48 Y50 P294 E295 N297D47-K279 PolarHBondContact N-O 2.87Å; S48-K279 PolarHBondContact O-N 2.74Å; Y50-K279 HydrophobicContact CD1-CG 3.98Å; Y50-K279 HydrophobicContact CE1-CG 3.78Å; K279-P294 HydrophobicContact CD-CB 4.26Å; K279-E295 PolarHBondContact NZ-O 2.87Å; K279-N297 VanDerWaalsContact NZ-C 3.3Å; K279-N297 PolarHBondContact NZ-O 3.5Å
280R93.1Very high92.8Very high134 Ų13458.5 Ų58.551%0.50626%0.263SS..EExtended strand (participates in β ladder)trans-92.4131.8-179.5-63.7178.2-68.6167.9-0.1109.9E45 P294E45-R280 WeakPolarHBondContact O-CA 3.48Å; R280-P294 VanDerWaalsContact O-CD 3.29Å; R280-P294 WeakPolarHBondContact O-CD 3.47Å; R280-P294 WeakPolarHBondContact O-CG 3.3Å
281S94.8Very high92.9Very high1 Ų156.4 Ų56.41%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-102.9142.9163.2-176.20000108.5E45 S292E45-S281 PolarHBondContact N-O 3.03Å; E45-S281 PolarHBondContact O-N 2.82Å; S281-S292 CarbonylContact C-O 3.54Å; S281-S292 WeakPolarHBondContact CA-O 3.34Å; S281-S292 PolarHBondContact OG-O 3.38Å
282L95.2Very high93Very high5 Ų556.6 Ų56.63%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-117.2133.4-177.1-57.2178.4000110.3Y28 L39 V42 S43 L291 S292Y28-L282 HydrophobicContact CD1-CD1 4.49Å; Y28-L282 HydrophobicContact CD2-CD1 4.12Å; Y28-L282 HydrophobicContact CE1-CD1 3.85Å; Y28-L282 HydrophobicContact CE2-CD1 3.41Å; Y28-L282 VanDerWaalsContact CE2-CD1 3.41Å; Y28-L282 VanDerWaalsContact OH-CD1 3.32Å; Y28-L282 WeakPolarHBondContact OH-CD1 3.44Å; L39-L282 HydrophobicContact CD1-CD1 3.73Å; L39-L282 HydrophobicContact CD1-CD2 4.01Å; V42-L282 HydrophobicContact CG2-CB 4.36Å; V42-L282 HydrophobicContact CG2-CD1 4.39Å; V42-L282 HydrophobicContact CG2-CD2 4Å; V42-L282 HydrophobicContact CG2-CG 4.49Å; S43-L282 WeakPolarHBondContact O-CA 3.45Å; L282-L291 HydrophobicContact CB-CB 4.44Å; L282-L291 PolarHBondContact O-N 2.88Å; L282-S292 PolarHBondContact N-O 2.87Å; L282-S292 PolarHBondContact O-N 3.2Å
283R94.9Very high93.1Very high77 Ų7757.7 Ų57.729%0.29126%0.26SS..EExtended strand (participates in β ladder)trans-122.8146.6174.9-67.8-173.9-169.6-118.97.8112.2V42 S43 E45 H289 N290V42-R283 WeakPolarHBondContact CB-O 3.37Å; S43-R283 PolarHBondContact N-O 2.82Å; S43-R283 PolarHBondContact O-N 2.51Å; S43-R283 WeakPolarHBondContact OG-CB 3.19Å; S43-R283 PolarHBondContact OG-O 2.7Å; S43-R283 VanDerWaalsContact OG-O 3.13Å; E45-R283 WeakPolarHBondContact OE1-CD 3.44Å; E45-R283 IonicContact OE1-CZ 3.88Å; E45-R283 IonicContact OE1-NE 2.7Å; E45-R283 PolarHBondContact OE1-NE 3.04Å; E45-R283 IonicContact OE2-CZ 2.9Å; E45-R283 IonicContact OE2-NE 3.09Å; E45-R283 PolarHBondContact OE2-NE 2.8Å; E45-R283 IonicContact OE2-NH2 3.62Å; E45-R283 PolarHBondContact OE2-NH2 3.47Å; R283-H289 WeakPolarHBondContact CA-O 3.42Å; R283-N290 WeakPolarHBondContact CG-OD1 3.45Å; R283-N290 PolarHBondContact NE-OD1 2.92Å; R283-N290 PolarHBondContact NH1-ND2 2.99Å
284C92.6Very high93Very high0 Ų057.1 Ų57.10%026%0.26CS..  trans-72.3131.1173.4-175.10000109.8K286 C287 E288 H289 L291C284-K286 VanDerWaalsContact C-N 3.32Å; C284-K286 PolarHBondContact O-N 3.25Å; C284-C287 VanDerWaalsContact CB-SG 3.58Å; C284-E288 WeakPolarHBondContact O-CA 3.12Å; C284-E288 PolarHBondContact O-N 3.41Å; C284-H289 PolarHBondContact N-O 2.75Å; C284-L291 HydrophobicContact CB-CD1 4.06Å; C284-L291 HydrophobicContact CB-CD2 4.34Å; C284-L291 HydrophobicContact CB-CG 4.21Å
285R90.1Very high92.8Very high132 Ų13259.5 Ų59.550%0.49827%0.271SS..THydrogen-bonded Turntrans-70.7-23.7177.8-66.5-172-171.3173.48.4114.4E40 C41 V42E40-R285 PolarHBondContact O-NH2 2.8Å; C41-R285 VanDerWaalsContact O-CD 3.25Å; C41-R285 WeakPolarHBondContact O-CD 3.46Å; C41-R285 WeakPolarHBondContact O-CG 3.31Å; C41-R285 PolarHBondContact O-NE 3.19Å; V42-R285 PolarHBondContact O-NE 3.29Å; V42-R285 PolarHBondContact O-NH2 3.11Å
286K89.1Confident92.4Very high129 Ų12960.3 Ų60.356%0.56127%0.273SS*.THydrogen-bonded Turntrans-81.4-43.8-178.8-69.4-159-169.7177.40112.8E35 C284E35-K286 IonicContact OE1-NZ 2.75Å; E35-K286 PolarHBondContact OE1-NZ 3.17Å; E35-K286 VanDerWaalsContact OE2-CE 3.24Å; E35-K286 WeakPolarHBondContact OE2-CE 3.45Å; E35-K286 IonicContact OE2-NZ 3.25Å; E35-K286 PolarHBondContact OE2-NZ 3.03Å; C284-K286 VanDerWaalsContact C-N 3.32Å; C284-K286 PolarHBondContact O-N 3.25Å
287C89.7Confident92.1Very high35 Ų3563.7 Ų63.724%0.23629%0.292CS..THydrogen-bonded Turntrans-116.90.7-173.367.10000113.8C30 C284 H289C30-C287 PolarHBondContact SG-SG 3.14Å; C284-C287 VanDerWaalsContact CB-SG 3.58Å; C287-H289 PolarHBondContact O-N 3.15Å; C287-H289 PolarHBondContact O-ND1 2.76Å
288E90.6Very high91.8Very high148 Ų14861 Ų6169%0.69228%0.278SS*.  trans58.96.6178.5-55.3-168.4154.200116.3C284C284-E288 WeakPolarHBondContact O-CA 3.12Å; C284-E288 PolarHBondContact O-N 3.41Å
289H91.3Very high91.7Very high74 Ų7460.2 Ų60.234%0.34328%0.28SS..  trans-74.9146.4176.4-73.576.2000111.5Y32 R283 C284 C287 L291Y32-H289 AromaticContact CD1-CD2 3.63Å; Y32-H289 AromaticContact CD1-CE1 3.84Å; Y32-H289 AromaticContact CD1-CG 3.97Å; Y32-H289 AromaticContact CD1-NE2 3.55Å; Y32-H289 HydrophobicContact CD2-CB 3.57Å; Y32-H289 AromaticContact CD2-CD2 3.64Å; Y32-H289 AromaticContact CD2-CG 3.53Å; Y32-H289 AromaticContact CE1-CD2 3.35Å; Y32-H289 WeakPolarHBondContact CE1-CD2 3.22Å; Y32-H289 AromaticContact CE1-NE2 3.37Å; Y32-H289 WeakPolarHBondContact CE1-NE2 3.32Å; Y32-H289 HydrophobicContact CE2-CB 3.8Å; Y32-H289 AromaticContact CE2-CD2 3.37Å; Y32-H289 WeakPolarHBondContact CE2-CD2 3.4Å; Y32-H289 AromaticContact CE2-CG 3.7Å; Y32-H289 HydrophobicContact CG-CB 4.15Å; Y32-H289 AromaticContact CG-CD2 3.76Å; Y32-H289 AromaticContact CG-CG 3.67Å; Y32-H289 AromaticContact CG-ND1 3.93Å; Y32-H289 AromaticContact CZ-CD2 3.21Å; Y32-H289 AromaticContact CZ-CG 4Å; Y32-H289 AromaticContact CZ-NE2 3.75Å; R283-H289 WeakPolarHBondContact CA-O 3.42Å; C284-H289 PolarHBondContact N-O 2.75Å; C287-H289 PolarHBondContact O-N 3.15Å; C287-H289 PolarHBondContact O-ND1 2.76Å; H289-L291 PolarHBondContact O-N 2.87Å
290N92.8Very high91.6Very high38 Ų3860.4 Ų60.420%0.20328%0.284CS..EExtended strand (participates in β ladder)trans-69.8128.5176.8-67.5-72.4000110.5R283 I305R283-N290 WeakPolarHBondContact CG-OD1 3.45Å; R283-N290 PolarHBondContact NE-OD1 2.92Å; R283-N290 PolarHBondContact NH1-ND2 2.99Å; N290-I305 HydrophobicContact CB-CD1 3.86Å
291L93.1Very high91.6Very high0 Ų061.5 Ų61.50%030%0.298CS..EExtended strand (participates in β ladder)trans-96.5-39.7174.8-63.1173.4000111.1C30 R37 V42 L282 C284 H289 L307C30-L291 HydrophobicContact CB-CD2 3.68Å; R37-L291 HydrophobicContact CB-CD1 4.35Å; R37-L291 HydrophobicContact CG-CD1 4.4Å; V42-L291 HydrophobicContact CB-CD1 4.44Å; V42-L291 HydrophobicContact CG1-CD1 3.41Å; V42-L291 VanDerWaalsContact CG1-CD1 3.41Å; L282-L291 HydrophobicContact CB-CB 4.44Å; L282-L291 PolarHBondContact O-N 2.88Å; C284-L291 HydrophobicContact CB-CD1 4.06Å; C284-L291 HydrophobicContact CB-CD2 4.34Å; C284-L291 HydrophobicContact CB-CG 4.21Å; H289-L291 PolarHBondContact O-N 2.87Å; L291-L307 HydrophobicContact CD2-CB 4.49Å; L291-L307 HydrophobicContact CD2-CD1 4.26Å; L291-L307 WeakPolarHBondContact O-CA 3.39Å; L291-L307 VanDerWaalsContact O-CB 3.29Å; L291-L307 WeakPolarHBondContact O-CB 3.3Å; L291-L307 PolarHBondContact O-N 2.93Å
292S93.6Very high91.5Very high8 Ų868 Ų686%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-142.4125.9179.6174.80000109.5S281 L282 I305S281-S292 CarbonylContact C-O 3.54Å; S281-S292 WeakPolarHBondContact CA-O 3.34Å; S281-S292 PolarHBondContact OG-O 3.38Å; L282-S292 PolarHBondContact N-O 2.87Å; L282-S292 PolarHBondContact O-N 3.2Å; S292-I305 CarbonylContact C-O 3.53Å; S292-I305 WeakPolarHBondContact CA-O 3.35Å
293K93.9Very high91.4Very high57 Ų5771.8 Ų71.825%0.24834%0.343CS..EExtended strand (participates in β ladder)trans-135.4105.4171.9-177.2159.6175.1124.80109.3D47 F303 K304 I305D47-K293 WeakPolarHBondContact OD1-CE 3.3Å; D47-K293 IonicContact OD1-NZ 3.67Å; D47-K293 PolarHBondContact OD1-NZ 2.8Å; D47-K293 IonicContact OD2-NZ 2.63Å; K293-F303 CarbonylContact O-C 3.56Å; K293-K304 HydrophobicContact CG-CB 4.48Å; K293-K304 PolarHBondContact O-N 3.04Å; K293-I305 HydrophobicContact CB-CB 4.11Å; K293-I305 HydrophobicContact CB-CD1 4.46Å; K293-I305 HydrophobicContact CB-CG1 4.38Å; K293-I305 PolarHBondContact N-O 3.11Å; K293-I305 PolarHBondContact O-N 2.96Å
294P92.5Very high91.3Very high21 Ų2175.6 Ų75.614%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-61.2158.3173.2-21.833.6000111.9K279 R280 F303K279-P294 HydrophobicContact CD-CB 4.26Å; R280-P294 VanDerWaalsContact O-CD 3.29Å; R280-P294 WeakPolarHBondContact O-CD 3.47Å; R280-P294 WeakPolarHBondContact O-CG 3.3Å; P294-F303 HydrophobicContact CB-CD1 4.36Å; P294-F303 HydrophobicContact CB-CE1 4.44Å; P294-F303 HydrophobicContact CG-CD1 4.22Å; P294-F303 HydrophobicContact CG-CE1 4.06Å
295E90.7Very high91.3Very high70 Ų7078.3 Ų78.333%0.32738%0.376SS..  trans-68.4153.3165.7-74.5-176.4176.100111.7K279 N297 S300 K302K279-E295 PolarHBondContact NZ-O 2.87Å; E295-N297 VanDerWaalsContact C-N 3.32Å; E295-N297 PolarHBondContact O-N 3.27Å; E295-S300 WeakPolarHBondContact OE2-CB 3.14Å; E295-S300 PolarHBondContact OE2-OG 2.9Å; E295-K302 HydrophobicContact CG-CB 4.19Å; E295-K302 PolarHBondContact N-O 2.77Å; E295-K302 VanDerWaalsContact N-O 3.11Å; E295-K302 WeakPolarHBondContact OE1-CB 3.37Å
296F86.4Confident91.4Very high121 Ų12176.7 Ų76.753%0.53137%0.374SS..SBendtrans-65.1-35.2-178.4-171-104.4000112.5N57 P298N57-F296 HydrophobicContact CB-CD1 4.44Å; N57-F296 HydrophobicContact CB-CE1 3.8Å; N57-F296 HydrophobicContact CB-CZ 4.01Å; N57-F296 WeakPolarHBondContact ND2-CD1 2.96Å; N57-F296 WeakPolarHBondContact ND2-CD2 3.37Å; N57-F296 WeakPolarHBondContact ND2-CE1 3.34Å; N57-F296 WeakPolarHBondContact ND2-CE2 3.42Å; N57-F296 WeakPolarHBondContact ND2-CG 3.49Å; N57-F296 WeakPolarHBondContact ND2-CZ 3.08Å; N57-F296 PolarHBondContact ND2-O 2.75Å; N57-F296 WeakPolarHBondContact OD1-CE2 3.29Å; N57-F296 WeakPolarHBondContact OD1-CZ 3.28Å; F296-P298 VanDerWaalsContact O-CD 3.28Å; F296-P298 WeakPolarHBondContact O-CD 3.33Å
297N88.9Confident91.6Very high80 Ų8070.8 Ų70.843%0.42835%0.348SS..  trans-64.2119.1-177.3-176.6-4000111.6K279 E295 T299 S300K279-N297 VanDerWaalsContact NZ-C 3.3Å; K279-N297 PolarHBondContact NZ-O 3.5Å; E295-N297 VanDerWaalsContact C-N 3.32Å; E295-N297 PolarHBondContact O-N 3.27Å; N297-T299 PolarHBondContact ND2-OG1 2.77Å; N297-T299 PolarHBondContact O-N 3.27Å; N297-T299 PolarHBondContact OD1-N 2.92Å; N297-T299 VanDerWaalsContact OD1-N 3.12Å; N297-T299 PolarHBondContact OD1-OG1 3.25Å; N297-S300 WeakPolarHBondContact O-CB 3.37Å; N297-S300 PolarHBondContact O-N 2.75Å; N297-S300 VanDerWaalsContact O-N 3.07Å
298P88.1Confident91.8Very high22 Ų2270.2 Ų70.214%0.14334%0.343CS..THydrogen-bonded Turntrans-59.7-27.2-179.2-28.240000115.2Y50 L55 N57 F296 S300Y50-P298 HydrophobicContact CD2-CB 3.83Å; Y50-P298 HydrophobicContact CD2-CG 4.39Å; Y50-P298 HydrophobicContact CG-CB 4Å; Y50-P298 HydrophobicContact CG-CG 4.1Å; L55-P298 HydrophobicContact CB-CB 4.23Å; L55-P298 WeakPolarHBondContact O-CB 3.49Å; L55-P298 VanDerWaalsContact O-CG 3.26Å; L55-P298 WeakPolarHBondContact O-CG 3.34Å; N57-P298 HydrophobicContact CB-CG 3.95Å; F296-P298 VanDerWaalsContact O-CD 3.28Å; F296-P298 WeakPolarHBondContact O-CD 3.33Å; P298-S300 VanDerWaalsContact C-N 3.35Å
299T91.4Very high91.9Very high90 Ų9063.1 Ų63.155%0.55231%0.311SS*.THydrogen-bonded Turntrans-81.9-14.1177.560.50000113.4L55 N297L55-T299 HydrophobicContact CB-CG2 4.26Å; L55-T299 HydrophobicContact CD1-CG2 3.72Å; N297-T299 PolarHBondContact ND2-OG1 2.77Å; N297-T299 PolarHBondContact O-N 3.27Å; N297-T299 PolarHBondContact OD1-N 2.92Å; N297-T299 VanDerWaalsContact OD1-N 3.12Å; N297-T299 PolarHBondContact OD1-OG1 3.25Å
300S91.8Very high92Very high27 Ų2761.9 Ų61.919%0.18931%0.308CS..  trans-81133.3-177.8-173.30000111.4E295 N297 P298 K302E295-S300 WeakPolarHBondContact OE2-CB 3.14Å; E295-S300 PolarHBondContact OE2-OG 2.9Å; N297-S300 WeakPolarHBondContact O-CB 3.37Å; N297-S300 PolarHBondContact O-N 2.75Å; N297-S300 VanDerWaalsContact O-N 3.07Å; P298-S300 VanDerWaalsContact C-N 3.35Å; S300-K302 WeakPolarHBondContact OG-CB 3.37Å; S300-K302 PolarHBondContact OG-N 2.89Å; S300-K302 VanDerWaalsContact OG-N 3.15Å
301I91.6Very high91.9Very high156 Ų15662.6 Ų62.680%0.832%0.316SS*.  trans-90.8-2.3169.461.2170.4000112.5
302K93.4Very high91.9Very high139 Ų13964.8 Ų64.860%0.60432%0.324SS*.  trans-80153.1-176.7-62.1-179.3179.7-178.30111.3E295 S300E295-K302 HydrophobicContact CG-CB 4.19Å; E295-K302 PolarHBondContact N-O 2.77Å; E295-K302 VanDerWaalsContact N-O 3.11Å; E295-K302 WeakPolarHBondContact OE1-CB 3.37Å; S300-K302 WeakPolarHBondContact OG-CB 3.37Å; S300-K302 PolarHBondContact OG-N 2.89Å; S300-K302 VanDerWaalsContact OG-N 3.15Å
303F92.1Very high91.8Very high84 Ų8464.4 Ų64.437%0.36832%0.322SS..EExtended strand (participates in β ladder)trans-114.1135.1175.9-68.1-94.4000109.2K293 P294 I305 Q306K293-F303 CarbonylContact O-C 3.56Å; P294-F303 HydrophobicContact CB-CD1 4.36Å; P294-F303 HydrophobicContact CB-CE1 4.44Å; P294-F303 HydrophobicContact CG-CD1 4.22Å; P294-F303 HydrophobicContact CG-CE1 4.06Å; F303-I305 VanDerWaalsContact C-N 3.33Å; F303-Q306 HydrophobicContact CB-CB 3.72Å; F303-Q306 HydrophobicContact CB-CG 4.36Å; F303-Q306 HydrophobicContact CD2-CG 4.36Å; F303-Q306 HydrophobicContact CG-CB 4.16Å; F303-Q306 HydrophobicContact CG-CG 4.28Å
304K93.2Very high91.8Very high157 Ų15761.8 Ų61.868%0.68331%0.31SS*.EExtended strand (participates in β ladder)trans-69.3-37.1169.6-175.3174.5-178.5173.50110.9K293K293-K304 HydrophobicContact CG-CB 4.48Å; K293-K304 PolarHBondContact O-N 3.04Å
305I92.2Very high91.8Very high57 Ų5762.4 Ų62.429%0.29231%0.312SS..EExtended strand (participates in β ladder)trans-136127174.5-57174.6000107.1N290 S292 K293 F303 L307N290-I305 HydrophobicContact CB-CD1 3.86Å; S292-I305 CarbonylContact C-O 3.53Å; S292-I305 WeakPolarHBondContact CA-O 3.35Å; K293-I305 HydrophobicContact CB-CB 4.11Å; K293-I305 HydrophobicContact CB-CD1 4.46Å; K293-I305 HydrophobicContact CB-CG1 4.38Å; K293-I305 PolarHBondContact N-O 3.11Å; K293-I305 PolarHBondContact O-N 2.96Å; F303-I305 VanDerWaalsContact C-N 3.33Å; I305-L307 HydrophobicContact CG2-CG 4.18Å
306Q92.7Very high92Very high97 Ų9759.2 Ų59.245%0.45330%0.297SS..EExtended strand (participates in β ladder)trans-138.198.4179.5-172.9176.2-100110.4F303 V308F303-Q306 HydrophobicContact CB-CB 3.72Å; F303-Q306 HydrophobicContact CB-CG 4.36Å; F303-Q306 HydrophobicContact CD2-CG 4.36Å; F303-Q306 HydrophobicContact CG-CB 4.16Å; F303-Q306 HydrophobicContact CG-CG 4.28Å; Q306-V308 HydrophobicContact CG-CG2 3.74Å
307L93.1Very high92.3Very high5 Ų558.1 Ų58.13%0.02629%0.289CS..  trans-109.360.1177-55.9-176.9000111.3Y28 F29 R31 L291 I305 Y312Y28-L307 WeakPolarHBondContact CA-O 3.43Å; Y28-L307 WeakPolarHBondContact CB-O 3.31Å; F29-L307 PolarHBondContact N-O 3.12Å; F29-L307 WeakPolarHBondContact O-CB 3.36Å; R31-L307 HydrophobicContact CG-CD2 4.38Å; L291-L307 HydrophobicContact CD2-CB 4.49Å; L291-L307 HydrophobicContact CD2-CD1 4.26Å; L291-L307 WeakPolarHBondContact O-CA 3.39Å; L291-L307 VanDerWaalsContact O-CB 3.29Å; L291-L307 WeakPolarHBondContact O-CB 3.3Å; L291-L307 PolarHBondContact O-N 2.93Å; I305-L307 HydrophobicContact CG2-CG 4.18Å; L307-Y312 HydrophobicContact CB-CE2 4.42Å; L307-Y312 HydrophobicContact CD2-CE2 3.96Å; L307-Y312 VanDerWaalsContact CD2-OH 3.24Å; L307-Y312 WeakPolarHBondContact CD2-OH 3.41Å
308V94Very high92.5Very high23 Ų2356.1 Ų56.114%0.13928%0.278CS..BIsolated β-bridgetrans-80.7141.1177.7-176.10000109.6Y28 Q306 V310 S311 Y312Y28-V308 HydrophobicContact CD1-CG2 4.32Å; Y28-V308 HydrophobicContact CE1-CG2 4.17Å; Q306-V308 HydrophobicContact CG-CG2 3.74Å; V308-V310 VanDerWaalsContact C-N 3.33Å; V308-V310 HydrophobicContact CB-CG1 4.48Å; V308-V310 HydrophobicContact CG1-CG1 3.8Å; V308-V310 PolarHBondContact O-N 2.81Å; V308-S311 PolarHBondContact O-N 2.79Å; V308-S311 VanDerWaalsContact O-N 3.16Å; V308-Y312 WeakPolarHBondContact O-CD2 3.25Å
309A93.8Very high92.6Very high0 Ų060.7 Ų60.70%030%0.299CS..G310 helixtrans-61.6-36.9-17400000113.8L24 L27 F29 L36 S311 Y312 I313L24-A309 HydrophobicContact CD1-CB 3.63Å; L24-A309 HydrophobicContact CG-CB 4.16Å; L27-A309 HydrophobicContact CB-CB 3.74Å; L27-A309 VanDerWaalsContact O-CB 3.32Å; L27-A309 WeakPolarHBondContact O-CB 3.23Å; L27-A309 PolarHBondContact O-N 3.38Å; F29-A309 HydrophobicContact CB-CB 4.39Å; L36-A309 HydrophobicContact CD1-CB 3.5Å; A309-S311 PolarHBondContact O-N 2.81Å; A309-Y312 PolarHBondContact O-N 2.95Å; A309-I313 HydrophobicContact CB-CD1 4.26Å; A309-I313 PolarHBondContact O-N 3.46Å
310V92.7Very high92.5Very high47 Ų4759.2 Ų59.229%0.28529%0.293SS..G310 helixtrans-59.1-18.817875.80000113.8V308 P339V308-V310 VanDerWaalsContact C-N 3.33Å; V308-V310 HydrophobicContact CB-CG1 4.48Å; V308-V310 HydrophobicContact CG1-CG1 3.8Å; V308-V310 PolarHBondContact O-N 2.81Å; V310-P339 WeakPolarHBondContact O-CB 3.49Å
311S91.7Very high92.4Very high53 Ų5360.7 Ų60.737%0.37130%0.298SS..G310 helixtrans-90.1-7.1178.8-56.20000113.5V308 A309V308-S311 PolarHBondContact O-N 2.79Å; V308-S311 VanDerWaalsContact O-N 3.16Å; A309-S311 PolarHBondContact O-N 2.81Å
312Y91.3Very high92.3Very high46 Ų4655.4 Ų55.418%0.1827%0.273CS..THydrogen-bonded Turntrans-128.7-34.1-175.8-64.6-76.3000113.5F29 R31 L307 V308 A309 F433F29-Y312 HydrophobicContact CB-CD2 4.12Å; F29-Y312 HydrophobicContact CB-CG 4.48Å; F29-Y312 HydrophobicContact CD1-CD1 4.35Å; F29-Y312 AromaticContact CD1-CD2 4Å; F29-Y312 HydrophobicContact CD1-CD2 4Å; F29-Y312 AromaticContact CD1-CG 3.73Å; F29-Y312 HydrophobicContact CD1-CG 3.73Å; F29-Y312 HydrophobicContact CE1-CG 4.46Å; F29-Y312 HydrophobicContact CG-CG 4.44Å; R31-Y312 HydrophobicContact CG-CE1 4.24Å; L307-Y312 HydrophobicContact CB-CE2 4.42Å; L307-Y312 HydrophobicContact CD2-CE2 3.96Å; L307-Y312 VanDerWaalsContact CD2-OH 3.24Å; L307-Y312 WeakPolarHBondContact CD2-OH 3.41Å; V308-Y312 WeakPolarHBondContact O-CD2 3.25Å; A309-Y312 PolarHBondContact O-N 2.95Å; Y312-F433 HydrophobicContact CD1-CE2 4.17Å
313I92.8Very high92Very high1 Ų154.9 Ų54.91%0.00528%0.277CS..SBendtrans-102.2133.9-174.8-60.1174.1000109.1Y12 L24 F29 L36 A309 E315 M429Y12-I313 HydrophobicContact CE1-CG2 4.31Å; L24-I313 HydrophobicContact CD1-CB 4.3Å; L24-I313 HydrophobicContact CD1-CD1 4.41Å; L24-I313 HydrophobicContact CD1-CG2 4.39Å; F29-I313 HydrophobicContact CD2-CD1 3.95Å; F29-I313 HydrophobicContact CD2-CG1 4.26Å; F29-I313 HydrophobicContact CG-CD1 4.49Å; L36-I313 HydrophobicContact CD1-CD1 3.54Å; L36-I313 HydrophobicContact CD2-CD1 4.26Å; L36-I313 HydrophobicContact CG-CD1 4.34Å; A309-I313 HydrophobicContact CB-CD1 4.26Å; A309-I313 PolarHBondContact O-N 3.46Å; I313-E315 PolarHBondContact O-N 3.33Å; I313-M429 HydrophobicContact CG2-CE 3.85Å
314P93.5Very high91.7Very high1 Ų151 Ų511%0.00626%0.261CS..PPolyproline II helixtrans-52.1125.2172.6-28.836.5000112.6Y12 L336 T337 T344 V346 L374 M429 H431Y12-P314 PolarHBondContact OH-O 3.05Å; Y12-P314 VanDerWaalsContact OH-O 3.1Å; P314-L336 HydrophobicContact CB-CD1 3.66Å; P314-L336 HydrophobicContact CB-CG 4.25Å; P314-T337 WeakPolarHBondContact CA-O 3.45Å; P314-T344 HydrophobicContact CG-CG2 4.16Å; P314-V346 HydrophobicContact CG-CG2 4.35Å; P314-L374 HydrophobicContact CB-CD1 4.16Å; P314-L374 HydrophobicContact CG-CD1 4.3Å; P314-M429 HydrophobicContact CB-CE 4.33Å; P314-M429 HydrophobicContact CB-SD 4.39Å; P314-M429 WeakPolarHBondContact O-CE 3.34Å; P314-H431 WeakPolarHBondContact CD-CD2 3.26Å; P314-H431 HydrophobicContact CG-CB 4.22Å
315E93.4Very high91.3Very high34 Ų3449.6 Ų49.616%0.15925%0.251CS..EExtended strand (participates in β ladder)trans-89.6122.8-176.9-172.2-178.1-178.400110.4L24 I313 R317 L336 T337L24-E315 HydrophobicContact CD2-CB 3.85Å; L24-E315 HydrophobicContact CD2-CG 3.91Å; I313-E315 PolarHBondContact O-N 3.33Å; E315-R317 HydrophobicContact CG-CG 4.15Å; E315-R317 IonicContact OE1-CZ 3.68Å; E315-R317 VanDerWaalsContact OE1-CZ 3.27Å; E315-R317 IonicContact OE1-NE 2.65Å; E315-R317 PolarHBondContact OE1-NE 3.07Å; E315-R317 IonicContact OE1-NH2 3.76Å; E315-R317 PolarHBondContact OE1-NH2 3.33Å; E315-R317 IonicContact OE2-CZ 2.79Å; E315-R317 IonicContact OE2-NE 3.46Å; E315-R317 PolarHBondContact OE2-NE 3.1Å; E315-R317 IonicContact OE2-NH2 3.62Å; E315-R317 PolarHBondContact OE2-NH2 2.87Å; E315-L336 WeakPolarHBondContact O-CA 3.45Å; E315-T337 PolarHBondContact N-O 3.37Å; E315-T337 PolarHBondContact O-N 3.08Å
316V93.4Very high90.9Very high3 Ų351.2 Ų51.22%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-90.3130.6170.8-179.90000108.8V10 Y12 L334 T335 L336 F427 M429 L462V10-V316 HydrophobicContact CG1-CB 4.29Å; Y12-V316 PolarHBondContact OH-N 3.19Å; V316-L334 HydrophobicContact CG1-CD1 4.23Å; V316-T335 CarbonylContact C-O 3.5Å; V316-T335 WeakPolarHBondContact CA-O 3.42Å; V316-L336 HydrophobicContact CG2-CD1 3.71Å; V316-F427 HydrophobicContact CG1-CZ 4.36Å; V316-F427 HydrophobicContact CG2-CZ 4.41Å; V316-M429 HydrophobicContact CG2-SD 3.8Å; V316-L462 HydrophobicContact CG1-CD2 4.2Å
317R92.8Very high90.5Very high98 Ų9851.6 Ų51.637%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-131.9152.1170.9-61-174.3178.6172.19.3110.9E315 L334 T335E315-R317 HydrophobicContact CG-CG 4.15Å; E315-R317 IonicContact OE1-CZ 3.68Å; E315-R317 VanDerWaalsContact OE1-CZ 3.27Å; E315-R317 IonicContact OE1-NE 2.65Å; E315-R317 PolarHBondContact OE1-NE 3.07Å; E315-R317 IonicContact OE1-NH2 3.76Å; E315-R317 PolarHBondContact OE1-NH2 3.33Å; E315-R317 IonicContact OE2-CZ 2.79Å; E315-R317 IonicContact OE2-NE 3.46Å; E315-R317 PolarHBondContact OE2-NE 3.1Å; E315-R317 IonicContact OE2-NH2 3.62Å; E315-R317 PolarHBondContact OE2-NH2 2.87Å; R317-L334 CarbonylContact O-C 3.23Å; R317-L334 WeakPolarHBondContact O-CA 3.35Å; R317-T335 PolarHBondContact N-O 2.7Å; R317-T335 PolarHBondContact O-N 3.4Å
318I92.5Very high90.2Very high39 Ų3956.9 Ų56.920%0.228%0.28CS..EExtended strand (participates in β ladder)trans-89123.6174.3-55.8163.4000108.1R9 V10 I321 V332 L334 L462 L464R9-I318 HydrophobicContact CB-CD1 4.26Å; V10-I318 HydrophobicContact CG2-CD1 4.01Å; V10-I318 HydrophobicContact CG2-CG1 3.97Å; I318-I321 HydrophobicContact CG2-CD1 3.75Å; I318-I321 HydrophobicContact CG2-CG1 3.35Å; I318-V332 HydrophobicContact CG2-CG1 4.35Å; I318-L334 HydrophobicContact CB-CD2 4.12Å; I318-L334 HydrophobicContact CG1-CD2 3.72Å; I318-L334 HydrophobicContact CG2-CD2 4.23Å; I318-L462 HydrophobicContact CD1-CD2 4.41Å; I318-L462 HydrophobicContact CG1-CD2 4.24Å; I318-L464 HydrophobicContact CD1-CD2 4.05Å
319M91.2Very high89.9Confident117 Ų11760.6 Ų60.658%0.57630%0.296SS*.EExtended strand (participates in β ladder)trans-97.4-50.4179.1-177.2165.3-178.400111.6L333 T335 F401M319-L333 HydrophobicContact CB-CD2 4.23Å; M319-L333 HydrophobicContact CB-CG 4.16Å; M319-L333 HydrophobicContact CG-CD2 4.09Å; M319-L333 PolarHBondContact N-O 3.09Å; M319-L333 HydrophobicContact SD-CD2 3.93Å; M319-T335 HydrophobicContact CB-CG2 3.96Å; M319-T335 HydrophobicContact CG-CG2 4.47Å; M319-T335 HydrophobicContact SD-CG2 3.76Å; M319-F401 HydrophobicContact CE-CE1 4.15Å; M319-F401 HydrophobicContact CE-CZ 4.2Å; M319-F401 HydrophobicContact SD-CE1 3.53Å; M319-F401 VanDerWaalsContact SD-CE1 3.53Å; M319-F401 HydrophobicContact SD-CZ 3.58Å; M319-F401 VanDerWaalsContact SD-CZ 3.58Å
320S89.8Confident89.7Confident60 Ų6061.2 Ų61.242%0.4230%0.3SS..EExtended strand (participates in β ladder)trans-139.6137.2175.365.80000111.5L333S320-L333 PolarHBondContact N-O 2.77Å; S320-L333 PolarHBondContact O-N 3.46Å; S320-L333 VanDerWaalsContact O-N 3.14Å; S320-L333 VanDerWaalsContact OG-CB 3.23Å; S320-L333 WeakPolarHBondContact OG-CB 3.35Å
321I88.5Confident89.6Confident58 Ų5863.9 Ų63.930%0.29731%0.309SS..  trans-112.8120.8177.8-51.8177000107I318 L324 L464I318-I321 HydrophobicContact CG2-CD1 3.75Å; I318-I321 HydrophobicContact CG2-CG1 3.35Å; I321-L324 HydrophobicContact CG2-CD1 4.28Å; I321-L324 HydrophobicContact CG2-CG 4.41Å; I321-L464 VanDerWaalsContact CD1-O 3.31Å; I321-L464 WeakPolarHBondContact CD1-O 3.18Å; I321-L464 HydrophobicContact CG2-CB 4.33Å
322P89.3Confident89.5Confident44 Ų4461.5 Ų61.529%0.28629%0.292SS..  trans-73.1171.5172.735.8-39.9000110.9L324 Q331 V332P322-L324 HydrophobicContact CG-CD2 4.37Å; P322-L324 PolarHBondContact O-N 2.81Å; P322-L324 VanDerWaalsContact O-N 3.08Å; P322-Q331 WeakPolarHBondContact CD-O 3.14Å; P322-Q331 VanDerWaalsContact CG-O 3.24Å; P322-Q331 WeakPolarHBondContact CG-O 3.21Å; P322-V332 HydrophobicContact CG-CG2 4.43Å
323N87.4Confident89.6Confident129 Ų12960.1 Ų60.169%0.6929%0.288SS*.  trans-66.9109.2171.1-67.9-23.8000110.2A468N323-A468 HydrophobicContact CB-CB 3.98Å
324L86Confident89.6Confident3 Ų360.1 Ų60.12%0.01629%0.288CS..  trans-78.6125.6179.9-58.9172.3000109.7I321 P322 P415 V423 L464 L467 A468I321-L324 HydrophobicContact CG2-CD1 4.28Å; I321-L324 HydrophobicContact CG2-CG 4.41Å; P322-L324 HydrophobicContact CG-CD2 4.37Å; P322-L324 PolarHBondContact O-N 2.81Å; P322-L324 VanDerWaalsContact O-N 3.08Å; L324-P415 HydrophobicContact CB-CG 4.37Å; L324-V423 HydrophobicContact CB-CG2 4.48Å; L324-V423 HydrophobicContact CD1-CB 3.78Å; L324-V423 HydrophobicContact CD1-CG1 4.02Å; L324-V423 HydrophobicContact CD1-CG2 3.84Å; L324-L464 HydrophobicContact CD1-CB 3.67Å; L324-L464 HydrophobicContact CD1-CD1 4.25Å; L324-L467 HydrophobicContact CB-CD2 3.99Å; L324-A468 WeakPolarHBondContact O-CB 3.48Å; L324-A468 PolarHBondContact O-N 3.14Å
325R84.4Confident89.6Confident126 Ų12660.6 Ų60.648%0.47529%0.291SS..  trans-122.8145.8177.3-72.9178.1171.8165.2-5.2110.2M327 K328R325-M327 PolarHBondContact O-N 2.84Å; R325-K328 HydrophobicContact CB-CB 4.02Å; R325-K328 HydrophobicContact CB-CD 3.88Å; R325-K328 HydrophobicContact CB-CG 4.2Å; R325-K328 PolarHBondContact O-N 3.41Å; R325-K328 VanDerWaalsContact O-N 3.14Å
326Y84.6Confident89.5Confident92 Ų9259 Ų5936%0.36128%0.283SS..THydrogen-bonded Turntrans-53.5131.4178.3-177.4-108000111.6K328 L416 E418Y326-K328 PolarHBondContact O-N 3.09Å; Y326-L416 WeakPolarHBondContact CE2-O 3.24Å; Y326-E418 HydrophobicContact CD2-CB 3.8Å; Y326-E418 HydrophobicContact CD2-CG 4.19Å; Y326-E418 HydrophobicContact CE2-CB 3.72Å; Y326-E418 HydrophobicContact CE2-CG 4.45Å; Y326-E418 HydrophobicContact CG-CB 4.34Å; Y326-E418 HydrophobicContact CG-CG 4.24Å
327M84.3Confident89.5Confident105 Ų10560 Ų6052%0.51729%0.29SS..THydrogen-bonded Turntrans55.815.5-179.9-68.6-76.6-172.200115.6R325 P415 L416R325-M327 PolarHBondContact O-N 2.84Å; M327-P415 PolarHBondContact N-O 2.86Å; M327-L416 HydrophobicContact CE-CD2 4.3Å; M327-L416 HydrophobicContact SD-CD2 4.08Å
328K87.2Confident89.4Confident116 Ų11655.4 Ų55.450%0.50427%0.272SS..  trans-108.5131.9177.1-69.2-171.6-179.6178.60111.3R325 Y326 S330 P415R325-K328 HydrophobicContact CB-CB 4.02Å; R325-K328 HydrophobicContact CB-CD 3.88Å; R325-K328 HydrophobicContact CB-CG 4.2Å; R325-K328 PolarHBondContact O-N 3.41Å; R325-K328 VanDerWaalsContact O-N 3.14Å; Y326-K328 PolarHBondContact O-N 3.09Å; K328-S330 PolarHBondContact O-N 3.04Å; K328-S330 PolarHBondContact O-OG 2.97Å; K328-P415 WeakPolarHBondContact O-CD 3.39Å
329E88.2Confident89.2Confident101 Ų10154.8 Ų54.847%0.47227%0.271SS..  trans-66.3123.9173.5-169.9-178.1159.200110.3K412 V414E329-K412 HydrophobicContact CG-CB 4.06Å; E329-K412 HydrophobicContact CG-CG 4.34Å; E329-K412 WeakPolarHBondContact OE1-CD 3.35Å; E329-K412 WeakPolarHBondContact OE1-CE 3.32Å; E329-K412 WeakPolarHBondContact OE1-CG 3.26Å; E329-K412 IonicContact OE1-NZ 3.88Å; E329-K412 PolarHBondContact OE1-NZ 3.21Å; E329-V414 HydrophobicContact CB-CG2 4.18Å; E329-V414 HydrophobicContact CG-CG2 4.34Å
330S89.2Confident89Confident12 Ų1251.2 Ų51.28%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-126.7135.5179-56.20000109.9K328 V413K328-S330 PolarHBondContact O-N 3.04Å; K328-S330 PolarHBondContact O-OG 2.97Å; S330-V413 PolarHBondContact N-O 3.39Å; S330-V413 PolarHBondContact O-N 3.3Å
331Q89.4Confident88.8Confident104 Ų10456.1 Ų56.149%0.48627%0.272SS..EExtended strand (participates in β ladder)trans-92.5114.2179.2-71.8178.4-35.600110.9P322 F410 I411 K412P322-Q331 WeakPolarHBondContact CD-O 3.14Å; P322-Q331 VanDerWaalsContact CG-O 3.24Å; P322-Q331 WeakPolarHBondContact CG-O 3.21Å; Q331-F410 HydrophobicContact CB-CD1 4.43Å; Q331-I411 WeakPolarHBondContact CA-O 3.28Å; Q331-K412 HydrophobicContact CG-CG 4.01Å
332V91Very high88.7Confident2 Ų256.7 Ų56.71%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-95.9132.5176.2-174.90000108.9I318 P322 L334 F410 I411 V413 L464I318-V332 HydrophobicContact CG2-CG1 4.35Å; P322-V332 HydrophobicContact CG-CG2 4.43Å; V332-L334 HydrophobicContact CG1-CD2 3.84Å; V332-L334 HydrophobicContact CG1-CG 4.39Å; V332-F410 WeakPolarHBondContact O-CA 3.21Å; V332-I411 PolarHBondContact N-O 3.36Å; V332-I411 PolarHBondContact O-N 3.29Å; V332-V413 HydrophobicContact CG2-CB 4.41Å; V332-V413 HydrophobicContact CG2-CG2 3.89Å; V332-L464 HydrophobicContact CG1-CD2 4.03Å; V332-L464 HydrophobicContact CG2-CD1 4.03Å; V332-L464 HydrophobicContact CG2-CD2 4.42Å
333L92.3Very high88.5Confident18 Ų1857.4 Ų57.49%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-92.8116.8174.9-178.961.8000109.6M319 S320 A400 F401 F410M319-L333 HydrophobicContact CB-CD2 4.23Å; M319-L333 HydrophobicContact CB-CG 4.16Å; M319-L333 HydrophobicContact CG-CD2 4.09Å; M319-L333 PolarHBondContact N-O 3.09Å; M319-L333 HydrophobicContact SD-CD2 3.93Å; S320-L333 PolarHBondContact N-O 2.77Å; S320-L333 PolarHBondContact O-N 3.46Å; S320-L333 VanDerWaalsContact O-N 3.14Å; S320-L333 VanDerWaalsContact OG-CB 3.23Å; S320-L333 WeakPolarHBondContact OG-CB 3.35Å; L333-A400 HydrophobicContact CD1-CB 3.59Å; L333-F401 HydrophobicContact CD2-CE1 4.37Å; L333-F410 HydrophobicContact CB-CD1 4.2Å; L333-F410 HydrophobicContact CB-CE1 3.97Å; L333-F410 HydrophobicContact CD1-CD1 4.04Å; L333-F410 HydrophobicContact CD1-CE1 3.78Å; L333-F410 HydrophobicContact CD1-CZ 4.12Å; L333-F410 HydrophobicContact CG-CE1 4.33Å
334L92.8Very high88.5Confident1 Ų151.5 Ų51.51%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-110154.2175-57.5-176.6000110.2V316 R317 I318 V332 G408 F409 I411 L462V316-L334 HydrophobicContact CG1-CD1 4.23Å; R317-L334 CarbonylContact O-C 3.23Å; R317-L334 WeakPolarHBondContact O-CA 3.35Å; I318-L334 HydrophobicContact CB-CD2 4.12Å; I318-L334 HydrophobicContact CG1-CD2 3.72Å; I318-L334 HydrophobicContact CG2-CD2 4.23Å; V332-L334 HydrophobicContact CG1-CD2 3.84Å; V332-L334 HydrophobicContact CG1-CG 4.39Å; L334-G408 CarbonylContact O-C 3.6Å; L334-G408 VanDerWaalsContact O-CA 3.28Å; L334-G408 WeakPolarHBondContact O-CA 3.34Å; L334-F409 HydrophobicContact CB-CD1 4.29Å; L334-F409 HydrophobicContact CB-CE1 3.73Å; L334-F409 HydrophobicContact CB-CE2 4.46Å; L334-F409 HydrophobicContact CB-CZ 3.84Å; L334-F409 HydrophobicContact CD1-CE2 4.38Å; L334-F409 HydrophobicContact CD1-CZ 3.99Å; L334-F409 PolarHBondContact N-O 3.4Å; L334-F409 PolarHBondContact O-N 2.86Å; L334-I411 HydrophobicContact CD1-CD1 3.34Å; L334-I411 HydrophobicContact CD1-CG1 3.88Å; L334-I411 HydrophobicContact CG-CD1 4.45Å; L334-L462 HydrophobicContact CD1-CD1 3.58Å; L334-L462 HydrophobicContact CD2-CD1 4Å; L334-L462 HydrophobicContact CG-CD1 4.45Å
335T93.1Very high88.7Confident10 Ų1054.1 Ų54.16%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-116.2136.6170.461.80000110.2V316 R317 M319 F401 K406 I407V316-T335 CarbonylContact C-O 3.5Å; V316-T335 WeakPolarHBondContact CA-O 3.42Å; R317-T335 PolarHBondContact N-O 2.7Å; R317-T335 PolarHBondContact O-N 3.4Å; M319-T335 HydrophobicContact CB-CG2 3.96Å; M319-T335 HydrophobicContact CG-CG2 4.47Å; M319-T335 HydrophobicContact SD-CG2 3.76Å; T335-F401 HydrophobicContact CG2-CE1 4.46Å; T335-F401 HydrophobicContact CG2-CZ 3.86Å; T335-K406 HydrophobicContact CG2-CD 4.27Å; T335-I407 CarbonylContact C-O 3.54Å; T335-I407 WeakPolarHBondContact CA-O 3.43Å
336L92.9Very high89.1Confident1 Ų148.1 Ų48.11%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-113.9124.8173-172.963.8000108.7P314 E315 V316 V346 L374 K406 I407 F409 M429P314-L336 HydrophobicContact CB-CD1 3.66Å; P314-L336 HydrophobicContact CB-CG 4.25Å; E315-L336 WeakPolarHBondContact O-CA 3.45Å; V316-L336 HydrophobicContact CG2-CD1 3.71Å; L336-V346 HydrophobicContact CD2-CB 4.03Å; L336-V346 HydrophobicContact CD2-CG1 3.89Å; L336-V346 HydrophobicContact CD2-CG2 4.01Å; L336-L374 HydrophobicContact CB-CD2 4.31Å; L336-L374 HydrophobicContact CD2-CD1 3.76Å; L336-L374 HydrophobicContact CD2-CD2 4.03Å; L336-L374 HydrophobicContact CD2-CG 4.24Å; L336-L374 HydrophobicContact CG-CD1 3.81Å; L336-L374 HydrophobicContact CG-CD2 4.06Å; L336-K406 WeakPolarHBondContact O-CA 3.07Å; L336-I407 HydrophobicContact CB-CD1 4.34Å; L336-I407 HydrophobicContact CB-CG1 3.86Å; L336-I407 HydrophobicContact CD2-CD1 4.34Å; L336-I407 PolarHBondContact N-O 3.38Å; L336-I407 PolarHBondContact O-N 3.32Å; L336-F409 HydrophobicContact CB-CD1 4.34Å; L336-F409 HydrophobicContact CB-CE1 3.94Å; L336-M429 HydrophobicContact CD1-SD 3.84Å
337T92.4Very high89.4Confident25 Ų2545.8 Ų45.815%0.15323%0.232CC..EExtended strand (participates in β ladder)trans-117.2126.4-177.6-50.20000110.2P314 E315 P339 K406P314-T337 WeakPolarHBondContact CA-O 3.45Å; E315-T337 PolarHBondContact N-O 3.37Å; E315-T337 PolarHBondContact O-N 3.08Å; T337-P339 WeakPolarHBondContact O-CD 3.16Å; T337-K406 WeakPolarHBondContact OG1-CE 3.47Å
338N91.7Very high89.7Confident0 Ų041.5 Ų41.50%021%0.211CC..  trans-85.3119.6175.9-176.910.6000111.3V340 N342 T344 L374 A375 N405N338-V340 PolarHBondContact ND2-O 2.97Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.14Å; N338-V340 PolarHBondContact OD1-N 3.25Å; N338-N342 PolarHBondContact ND2-O 2.9Å; N338-T344 PolarHBondContact ND2-OG1 2.97Å; N338-T344 PolarHBondContact OD1-OG1 3.31Å; N338-L374 HydrophobicContact CB-CB 3.75Å; N338-L374 HydrophobicContact CB-CD1 3.91Å; N338-L374 HydrophobicContact CB-CG 4.39Å; N338-A375 WeakPolarHBondContact CB-O 3.47Å; N338-A375 PolarHBondContact ND2-O 3.42Å; N338-N405 PolarHBondContact N-O 3.28Å; N338-N405 PolarHBondContact O-ND2 2.61Å
339P88.3Confident89.8Confident27 Ų2738 Ų3818%0.17520%0.204CC..  trans-82.7-16.5177.833.4-35.8000114.2V310 T337V310-P339 WeakPolarHBondContact O-CB 3.49Å; T337-P339 WeakPolarHBondContact O-CD 3.16Å
340V86.9Confident89.6Confident41 Ų4136.1 Ų36.125%0.24820%0.199CC..SBendtrans-96.4153.6-174.1-60.60000112.3N338 N342 T344 K377N338-V340 PolarHBondContact ND2-O 2.97Å; N338-V340 WeakPolarHBondContact OD1-CG2 3.14Å; N338-V340 PolarHBondContact OD1-N 3.25Å; V340-N342 VanDerWaalsContact C-N 3.27Å; V340-N342 PolarHBondContact O-N 3.27Å; V340-T344 WeakPolarHBondContact CG2-OG1 3.33Å; V340-K377 WeakPolarHBondContact O-CB 3.48Å; V340-K377 PolarHBondContact O-N 3.46Å
341E84.9Confident89.2Confident164 Ų16435.9 Ų35.977%0.76620%0.198SC*.SBendtrans-70.8-20.1-178.2-63.5175.4-178.600113.5G376E341-G376 WeakPolarHBondContact O-CA 3.48Å
342N85.6Confident88.5Confident70 Ų7036.8 Ų36.837%0.37420%0.202SC..SBendtrans-87.8154.2177.9-66.1-32.3000111.3N338 V340 T344N338-N342 PolarHBondContact ND2-O 2.9Å; V340-N342 VanDerWaalsContact C-N 3.27Å; V340-N342 PolarHBondContact O-N 3.27Å; N342-T344 PolarHBondContact O-N 2.9Å; N342-T344 PolarHBondContact O-OG1 3.44Å
343V86.4Confident87Confident58 Ų5845.1 Ų45.135%0.35225%0.246SC..  trans-60.2134169.8178.10000109.5V373 L374V343-V373 HydrophobicContact CG1-CG1 3.33Å; V343-L374 WeakPolarHBondContact CA-O 3.28Å; V343-L374 WeakPolarHBondContact CG1-O 3.34Å
344T87.8Confident85.5Confident5 Ų551.9 Ų51.93%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-122.1131.1-177.3-56.40000110.5P314 N338 V340 N342 V346 L374 H431 D432P314-T344 HydrophobicContact CG-CG2 4.16Å; N338-T344 PolarHBondContact ND2-OG1 2.97Å; N338-T344 PolarHBondContact OD1-OG1 3.31Å; V340-T344 WeakPolarHBondContact CG2-OG1 3.33Å; N342-T344 PolarHBondContact O-N 2.9Å; N342-T344 PolarHBondContact O-OG1 3.44Å; T344-V346 HydrophobicContact CG2-CG2 4.12Å; T344-L374 PolarHBondContact N-O 2.9Å; T344-L374 PolarHBondContact O-N 3.38Å; T344-H431 HydrophobicContact CG2-CB 4.15Å; T344-D432 VanDerWaalsContact CA-OD1 3.31Å; T344-D432 WeakPolarHBondContact CA-OD1 3.4Å; T344-D432 VanDerWaalsContact CG2-OD1 3.25Å; T344-D432 WeakPolarHBondContact CG2-OD1 3.38Å
345H90.4Very high84.2Confident59 Ų5953.4 Ų53.427%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-96.4120.9-179.3-73.1-92.8000109.7E371 H431 D432 W455H345-E371 WeakPolarHBondContact CB-OE1 3.2Å; H345-E371 IonicContact CE1-OE1 2.66Å; H345-E371 IonicContact CG-OE1 3.98Å; H345-E371 VanDerWaalsContact CG-OE1 3.23Å; H345-E371 IonicContact ND1-OE1 2.87Å; H345-E371 PolarHBondContact ND1-OE1 3.43Å; H345-H431 VanDerWaalsContact O-CA 3.25Å; H345-H431 WeakPolarHBondContact O-CA 3.43Å; H345-D432 HydrophobicContact CB-CB 4.49Å; H345-D432 IonicContact CD2-OD2 2.88Å; H345-D432 PolarHBondContact N-OD1 2.92Å; H345-D432 PolarHBondContact O-N 3.22Å; H345-D432 VanDerWaalsContact O-N 3.16Å; H345-W455 HydrophobicContact CB-CH2 3.91Å; H345-W455 HydrophobicContact CB-CZ3 4.36Å
346V91.1Very high82.8Confident0 Ų056.8 Ų56.80%031%0.313CS..EExtended strand (participates in β ladder)trans-123129.2-176.9-174.20000111P314 L336 T344 L348 L372 L374 M429 R430 H431P314-V346 HydrophobicContact CG-CG2 4.35Å; L336-V346 HydrophobicContact CD2-CB 4.03Å; L336-V346 HydrophobicContact CD2-CG1 3.89Å; L336-V346 HydrophobicContact CD2-CG2 4.01Å; T344-V346 HydrophobicContact CG2-CG2 4.12Å; V346-L348 HydrophobicContact CG1-CD2 4.15Å; V346-L372 HydrophobicContact CB-CB 4.47Å; V346-L372 PolarHBondContact N-O 2.94Å; V346-L372 PolarHBondContact O-N 3.49Å; V346-L374 HydrophobicContact CG2-CD1 3.68Å; V346-L374 HydrophobicContact CG2-CG 4.3Å; V346-M429 HydrophobicContact CG1-CG 3.72Å; V346-M429 HydrophobicContact CG1-SD 4.43Å; V346-R430 CarbonylContact C-O 3.59Å; V346-R430 WeakPolarHBondContact CA-O 3.35Å; V346-H431 HydrophobicContact CG2-CB 3.9Å
347T91.2Very high81.6Confident42 Ų4257.1 Ų57.126%0.25831%0.314SS..EExtended strand (participates in β ladder)trans-117.5134.9172.848.60000109.5E371 R430T347-E371 HydrophobicContact CG2-CB 4.12Å; T347-E371 HydrophobicContact CG2-CG 3.98Å; T347-R430 PolarHBondContact N-O 3.5Å; T347-R430 PolarHBondContact O-N 3.29Å; T347-R430 WeakPolarHBondContact OG1-CB 3.48Å
348L90.8Very high80.4Confident15 Ų1558 Ų588%0.07932%0.319CS..EExtended strand (participates in β ladder)trans-106.7135178.1-58-178.4000108.8V346 V367 L372 F409 F427 R428 M429V346-L348 HydrophobicContact CG1-CD2 4.15Å; L348-V367 HydrophobicContact CB-CB 3.88Å; L348-V367 HydrophobicContact CB-CG1 4.41Å; L348-V367 HydrophobicContact CB-CG2 4Å; L348-V367 WeakPolarHBondContact O-CG2 3.19Å; L348-L372 HydrophobicContact CD1-CD1 4.12Å; L348-F409 HydrophobicContact CD1-CD2 4.2Å; L348-F409 HydrophobicContact CD1-CE2 3.35Å; L348-F409 HydrophobicContact CD1-CZ 3.77Å; L348-F427 HydrophobicContact CD2-CD2 4.04Å; L348-F427 HydrophobicContact CD2-CE2 3.77Å; L348-R428 WeakPolarHBondContact CA-O 3.4Å; L348-M429 HydrophobicContact CD2-CB 4Å; L348-M429 HydrophobicContact CD2-CG 3.84Å
349A88.6Confident79.1Confident42 Ų4263 Ų6335%0.34735%0.349SS..EExtended strand (participates in β ladder)trans-131.7144.717700000110.3R428A349-R428 HydrophobicContact CB-CB 4.35Å; A349-R428 PolarHBondContact N-O 2.82Å; A349-R428 PolarHBondContact O-N 2.63Å
350V86Confident78Confident62 Ų6264.6 Ų64.638%0.37636%0.356SS..EExtended strand (participates in β ladder)trans-70.2148.5172.8-164.20000108.9V365 V367 R428V350-V365 WeakPolarHBondContact CG2-O 3.18Å; V350-V367 HydrophobicContact CG2-CG2 3.83Å; V350-R428 PolarHBondContact O-NE 3.12Å; V350-R428 PolarHBondContact O-NH2 3.06Å
351C80.1Confident77.3Confident8 Ų863.9 Ų63.95%0.05435%0.352CS..PPolyproline II helixtrans-72.3140.3167.7-59.50000108.9D358 H459C351-D358 HydrophobicContact CB-CB 4.25Å; C351-H459 VanDerWaalsContact SG-CD2 3.51Å; C351-H459 PolarHBondContact SG-NE2 3.24Å
352E75.3Confident76.9Confident122 Ų12256.9 Ų56.957%0.5732%0.321SS*.PPolyproline II helixtrans-76.4150.9177.9-74.7156.2-132.400109.9D354 D355 R428E352-D354 PolarHBondContact O-N 2.91Å; E352-D355 PolarHBondContact N-OD2 3.07Å; E352-D355 WeakPolarHBondContact O-CB 3.39Å; E352-D355 PolarHBondContact O-N 2.88Å; E352-R428 IonicContact OE1-CZ 3.31Å; E352-R428 IonicContact OE1-NH1 2.66Å; E352-R428 IonicContact OE1-NH2 2.69Å; E352-R428 PolarHBondContact OE1-NH2 3.48Å
353D58.9Low76.5Confident177 Ų17754 Ų5495%0.94731%0.307SS*.THydrogen-bonded Turntrans-61.8-18.7-173.9-65.9-46.2000113.5
354D60.4Low76.3Confident160 Ų16057.4 Ų57.486%0.85632%0.316SS*.THydrogen-bonded Turntrans-99.97.5175.7-79.8-36.9000113.8E352 P356E352-D354 PolarHBondContact O-N 2.91Å; D354-P356 VanDerWaalsContact O-CD 3.29Å; D354-P356 WeakPolarHBondContact O-CD 3.17Å
355D66Low76.1Confident33 Ų3357.3 Ų57.318%0.17632%0.316CS..  trans-66.4117180-95.5-44.8000109.9E352 D357 D358 R428E352-D355 PolarHBondContact N-OD2 3.07Å; E352-D355 WeakPolarHBondContact O-CB 3.39Å; E352-D355 PolarHBondContact O-N 2.88Å; D355-D357 PolarHBondContact O-N 3.18Å; D355-D358 HydrophobicContact CB-CB 4.35Å; D355-D358 PolarHBondContact O-N 3.17Å; D355-R428 IonicContact OD2-CZ 2.77Å; D355-R428 IonicContact OD2-NH1 2.74Å
356P63.9Low75.8Confident81 Ų8158.4 Ų58.453%0.52632%0.323SS..THydrogen-bonded Turntrans-69.1-6.2-179.832.2-38.3000112.4R19 D354 V359R19-P356 PolarHBondContact NH1-O 3.37Å; D354-P356 VanDerWaalsContact O-CD 3.29Å; D354-P356 WeakPolarHBondContact O-CD 3.17Å; P356-V359 WeakPolarHBondContact O-CG2 3.38Å
357D66Low75.6Confident8 Ų859.6 Ų59.64%0.04333%0.331CS..THydrogen-bonded Turntrans-90.5-10.7176.9-73.6-23.5000112.2L13 R15 R19 R21 D355 V359L13-D357 HydrophobicContact CD2-CB 3.71Å; L13-D357 VanDerWaalsContact CD2-CG 3.43Å; R15-D357 IonicContact CZ-OD2 3.35Å; R15-D357 VanDerWaalsContact CZ-OD2 3.3Å; R15-D357 IonicContact NE-OD2 3.63Å; R15-D357 PolarHBondContact NE-OD2 3.17Å; R15-D357 IonicContact NH2-OD2 3.63Å; R15-D357 PolarHBondContact NH2-OD2 3.46Å; R19-D357 WeakPolarHBondContact CD-OD1 3.46Å; R19-D357 IonicContact CZ-OD1 3.46Å; R19-D357 IonicContact NE-OD1 3.4Å; R19-D357 PolarHBondContact NE-OD1 2.96Å; R19-D357 IonicContact NH1-OD1 2.71Å; R19-D357 PolarHBondContact NH1-OD1 3.32Å; R21-D357 PolarHBondContact NH2-O 3.43Å; D355-D357 PolarHBondContact O-N 3.18Å; D357-V359 PolarHBondContact O-N 3.25Å
358D67.4Low75.2Confident45 Ų4558.3 Ų58.324%0.24132%0.323CS..  trans-98.551.8179.8-160.817.9000113.6C351 D355 N360 S361 S426C351-D358 HydrophobicContact CB-CB 4.25Å; D355-D358 HydrophobicContact CB-CB 4.35Å; D355-D358 PolarHBondContact O-N 3.17Å; D358-N360 VanDerWaalsContact C-N 3.3Å; D358-N360 PolarHBondContact O-N 3.39Å; D358-S361 WeakPolarHBondContact OD1-CB 3.48Å; D358-S361 PolarHBondContact OD1-OG 3.33Å; D358-S361 WeakPolarHBondContact OD2-CB 3.35Å; D358-S361 PolarHBondContact OD2-OG 3.01Å; D358-S426 WeakPolarHBondContact OD1-CB 3.4Å; D358-S426 PolarHBondContact OD1-OG 3.19Å
359V64.8Low74.6Confident104 Ų10463.4 Ų63.463%0.6336%0.36SS*.SBendtrans-70.9-27.3-173.5-176.60000112.7P356 D357P356-V359 WeakPolarHBondContact O-CG2 3.38Å; D357-V359 PolarHBondContact O-N 3.25Å
360N65.6Low74.2Confident61 Ų6167 Ų6733%0.32637%0.367SS..SBendtrans-108.3-7.7-167.2-69.8-7000114.2D358 T362 T424 E461D358-N360 VanDerWaalsContact C-N 3.3Å; D358-N360 PolarHBondContact O-N 3.39Å; N360-T362 PolarHBondContact O-N 3.1Å; N360-T424 PolarHBondContact O-OG1 3.04Å; N360-E461 PolarHBondContact ND2-OE1 3.01Å; N360-E461 VanDerWaalsContact ND2-OE1 3.1Å
361S71.4Confident74.2Confident25 Ų2568.6 Ų68.618%0.17537%0.371CS..  trans-64.8126.4-173.1-780000112.4D358 S426D358-S361 WeakPolarHBondContact OD1-CB 3.48Å; D358-S361 PolarHBondContact OD1-OG 3.33Å; D358-S361 WeakPolarHBondContact OD2-CB 3.35Å; D358-S361 PolarHBondContact OD2-OG 3.01Å; S361-S426 VanDerWaalsContact OG-CB 3.28Å; S361-S426 WeakPolarHBondContact OG-CB 3Å; S361-S426 PolarHBondContact OG-N 3.42Å; S361-S426 PolarHBondContact OG-OG 3.19Å; S361-S426 VanDerWaalsContact OG-OG 3.08Å
362T76.6Confident74.5Confident18 Ų1868.7 Ų68.711%0.1137%0.371CS..  trans-103.41.2173.560.70000111.7N360 L416 K417 V423 T424N360-T362 PolarHBondContact O-N 3.1Å; T362-L416 PolarHBondContact O-N 2.9Å; T362-K417 HydrophobicContact CG2-CD 4.04Å; T362-V423 WeakPolarHBondContact OG1-CA 3.26Å; T362-T424 PolarHBondContact N-O 3.41Å; T362-T424 PolarHBondContact N-OG1 3.04Å; T362-T424 PolarHBondContact OG1-N 3.13Å; T362-T424 PolarHBondContact OG1-O 3.26Å; T362-T424 PolarHBondContact OG1-OG1 3Å
363S76.9Confident75Confident10 Ų1064.6 Ų64.67%0.0735%0.354CS..EExtended strand (participates in β ladder)trans-145.5145.7-168.3-61.30000113V414 P415 V423S363-V414 CarbonylContact C-O 3.59Å; S363-V414 VanDerWaalsContact CA-O 3.28Å; S363-V414 WeakPolarHBondContact CA-O 3.29Å; S363-V414 WeakPolarHBondContact CB-O 3.32Å; S363-P415 WeakPolarHBondContact OG-CA 3.47Å; S363-V423 WeakPolarHBondContact OG-CG1 3.47Å
364K82.3Confident76.3Confident128 Ų12856.1 Ų56.156%0.55731%0.309SS*.EExtended strand (participates in β ladder)trans-84137.9169.8-172.7169.9-176.8169.60109.8V414 L416K364-V414 PolarHBondContact N-O 3.37Å; K364-V414 PolarHBondContact O-N 2.92Å; K364-L416 HydrophobicContact CB-CD1 4.1Å; K364-L416 HydrophobicContact CB-CG 4.48Å
365V84.8Confident77.5Confident4 Ų448.9 Ų48.92%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-121.5129.4-173.1-174.10000108.6V350 V367 I411 V425V350-V365 WeakPolarHBondContact CG2-O 3.18Å; V365-V367 HydrophobicContact CG1-CG1 3.73Å; V365-I411 HydrophobicContact CG1-CG2 3.36Å; V365-V425 HydrophobicContact CB-CG1 4.33Å; V365-V425 HydrophobicContact CG1-CG1 4.09Å; V365-V425 HydrophobicContact CG2-CB 3.89Å; V365-V425 HydrophobicContact CG2-CG1 3.27Å; V365-V425 HydrophobicContact CG2-CG2 3.69Å
366L84.6Confident78.4Confident82 Ų8248 Ų4843%0.42927%0.27SS..EExtended strand (participates in β ladder)trans-107.6104.8170.4-55.1170.6000107.4K412L366-K412 HydrophobicContact CB-CB 4.13Å; L366-K412 HydrophobicContact CD1-CB 4.38Å; L366-K412 PolarHBondContact N-O 2.86Å; L366-K412 PolarHBondContact O-N 3.48Å
367V85.4Confident79.3Confident25 Ų2548.8 Ų48.815%0.15227%0.265CS..  trans-90.1152.5176-57.10000110.3L348 V350 V365 S369 I411 F427L348-V367 HydrophobicContact CB-CB 3.88Å; L348-V367 HydrophobicContact CB-CG1 4.41Å; L348-V367 HydrophobicContact CB-CG2 4Å; L348-V367 WeakPolarHBondContact O-CG2 3.19Å; V350-V367 HydrophobicContact CG2-CG2 3.83Å; V365-V367 HydrophobicContact CG1-CG1 3.73Å; V367-S369 PolarHBondContact O-N 3.47Å; V367-I411 HydrophobicContact CG1-CD1 4.3Å; V367-F427 HydrophobicContact CG1-CB 4.04Å; V367-F427 HydrophobicContact CG1-CG 4.35Å
368P83.3Confident79.9Confident14 Ų1452.7 Ų52.79%0.09129%0.286CS..  trans-60.1134.5173.1-19.831.2000111.4I398 F409P368-I398 HydrophobicContact CB-CD1 4.2Å; P368-I398 HydrophobicContact CB-CG1 4.33Å; P368-I398 HydrophobicContact CB-CG2 3.62Å; P368-I398 HydrophobicContact CG-CG2 3.56Å; P368-F409 HydrophobicContact CG-CD2 4.34Å
369S77.5Confident80Confident123 Ų12354 Ų5486%0.8630%0.303SS*.  trans-81.8-15.817653.90000113.5V367V367-S369 PolarHBondContact O-N 3.47Å
370K81.8Confident80.2Confident116 Ų11651.9 Ų51.950%0.50430%0.297SS..SBendtrans-79147.8178.3-67.9-175.6-179174.30111.1D395 I398K370-D395 IonicContact NZ-OD2 2.72Å; K370-D395 PolarHBondContact NZ-OD2 3.25Å; K370-I398 HydrophobicContact CB-CD1 4.38Å; K370-I398 HydrophobicContact CD-CD1 3.95Å; K370-I398 HydrophobicContact CG-CD1 4.31Å
371E85.1Confident80.1Confident97 Ų9750.2 Ų50.245%0.45329%0.291SS..PPolyproline II helixtrans-71.1130.4173.7-173.8175.117900110.6H345 T347H345-E371 WeakPolarHBondContact CB-OE1 3.2Å; H345-E371 IonicContact CE1-OE1 2.66Å; H345-E371 IonicContact CG-OE1 3.98Å; H345-E371 VanDerWaalsContact CG-OE1 3.23Å; H345-E371 IonicContact ND1-OE1 2.87Å; H345-E371 PolarHBondContact ND1-OE1 3.43Å; T347-E371 HydrophobicContact CG2-CB 4.12Å; T347-E371 HydrophobicContact CG2-CG 3.98Å
372L86Confident79.4Confident9 Ų955.8 Ų55.85%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-97.5119.6178.1-60.6175.5000109V346 L348 I398 V399 I407 F409V346-L372 HydrophobicContact CB-CB 4.47Å; V346-L372 PolarHBondContact N-O 2.94Å; V346-L372 PolarHBondContact O-N 3.49Å; L348-L372 HydrophobicContact CD1-CD1 4.12Å; L372-I398 HydrophobicContact CD2-CG2 4.17Å; L372-V399 HydrophobicContact CD2-CG2 4.25Å; L372-I407 HydrophobicContact CB-CD1 3.89Å; L372-I407 HydrophobicContact CD1-CD1 4Å; L372-I407 HydrophobicContact CD2-CD1 4.33Å; L372-I407 HydrophobicContact CG-CD1 4.3Å; L372-F409 HydrophobicContact CD1-CD2 4.37Å; L372-F409 HydrophobicContact CD1-CG 4.32Å
373V87.3Confident78.6Confident36 Ų3664.5 Ų64.522%0.21835%0.347CS..EExtended strand (participates in β ladder)trans-98.4116.3179-174.20000109.6V343 F392 R402V343-V373 HydrophobicContact CG1-CG1 3.33Å; V373-F392 HydrophobicContact CB-CD1 4.24Å; V373-F392 HydrophobicContact CB-CE1 4.22Å; V373-F392 HydrophobicContact CG1-CD1 4.11Å; V373-F392 HydrophobicContact CG1-CE1 3.62Å; V373-R402 VanDerWaalsContact O-CZ 3.32Å; V373-R402 PolarHBondContact O-NH1 3.36Å; V373-R402 PolarHBondContact O-NH2 3.47Å
374L85.8Confident77.8Confident0 Ų068.1 Ų68.10%037%0.365CS..EExtended strand (participates in β ladder)trans-94.6130.9178.3-60.5170.6000110.7P314 L336 N338 V343 T344 V346 I407P314-L374 HydrophobicContact CB-CD1 4.16Å; P314-L374 HydrophobicContact CG-CD1 4.3Å; L336-L374 HydrophobicContact CB-CD2 4.31Å; L336-L374 HydrophobicContact CD2-CD1 3.76Å; L336-L374 HydrophobicContact CD2-CD2 4.03Å; L336-L374 HydrophobicContact CD2-CG 4.24Å; L336-L374 HydrophobicContact CG-CD1 3.81Å; L336-L374 HydrophobicContact CG-CD2 4.06Å; N338-L374 HydrophobicContact CB-CB 3.75Å; N338-L374 HydrophobicContact CB-CD1 3.91Å; N338-L374 HydrophobicContact CB-CG 4.39Å; V343-L374 WeakPolarHBondContact CA-O 3.28Å; V343-L374 WeakPolarHBondContact CG1-O 3.34Å; T344-L374 PolarHBondContact N-O 2.9Å; T344-L374 PolarHBondContact O-N 3.38Å; V346-L374 HydrophobicContact CG2-CD1 3.68Å; V346-L374 HydrophobicContact CG2-CG 4.3Å; L374-I407 HydrophobicContact CD2-CB 4.31Å; L374-I407 HydrophobicContact CD2-CD1 3.52Å; L374-I407 HydrophobicContact CD2-CG1 3.52Å; L374-I407 HydrophobicContact CD2-CG2 3.98Å
375A86Confident76.6Confident7 Ų771.7 Ų71.76%0.05838%0.384CS..PPolyproline II helixtrans-62.2149.5171.400000111N338 F392N338-A375 WeakPolarHBondContact CB-O 3.47Å; N338-A375 PolarHBondContact ND2-O 3.42Å; A375-F392 HydrophobicContact CB-CE2 3.98Å; A375-F392 HydrophobicContact CB-CZ 4.08Å
376G83.9Confident75.1Confident15 Ų1578.8 Ų78.816%0.15542%0.421CS..PPolyproline II helixtrans-61.6146.8171.300000111.9E341 D378E341-G376 WeakPolarHBondContact O-CA 3.48Å; G376-D378 PolarHBondContact O-N 3.38Å; G376-D378 VanDerWaalsContact O-N 3.15Å
377K82.4Confident73.7Confident97 Ų9777.3 Ų77.342%0.42242%0.421SS..  trans-68.8108.4171.4-174.3-177.9178.6-174.30109.5V340 N405V340-K377 WeakPolarHBondContact O-CB 3.48Å; V340-K377 PolarHBondContact O-N 3.46Å; K377-N405 HydrophobicContact CB-CB 4.44Å
378D78.4Confident72.2Confident91 Ų9184.6 Ų84.649%0.48745%0.453SS..  trans-98.4115.9169.5-175.7-4.3000109.7G376 A380 A381G376-D378 PolarHBondContact O-N 3.38Å; G376-D378 VanDerWaalsContact O-N 3.15Å; D378-A380 VanDerWaalsContact C-N 3.27Å; D378-A380 PolarHBondContact O-N 3.27Å; D378-A380 WeakPolarHBondContact OD1-CB 3.27Å; D378-A380 PolarHBondContact OD1-N 3.43Å; D378-A381 HydrophobicContact CB-CB 3.73Å; D378-A381 PolarHBondContact OD1-N 2.87Å
379A69.7Low71Confident71 Ų7189.2 Ų89.259%0.58748%0.483SS*.SBendtrans-72.2-20.3178.400000113
380A68.8Low70.2Confident61 Ų6188.9 Ų88.950%0.50447%0.468SS..SBendtrans-86-30.5177.800000112.2D378 E382 Y383 D384D378-A380 VanDerWaalsContact C-N 3.27Å; D378-A380 PolarHBondContact O-N 3.27Å; D378-A380 WeakPolarHBondContact OD1-CB 3.27Å; D378-A380 PolarHBondContact OD1-N 3.43Å; A380-E382 PolarHBondContact O-N 3.01Å; A380-E382 VanDerWaalsContact O-N 3.16Å; A380-Y383 PolarHBondContact O-N 3.49Å; A380-D384 PolarHBondContact O-N 3.04Å
381A63.9Low69.3Low26 Ų2691.2 Ų91.222%0.21549%0.486CS..THydrogen-bonded Turntrans-63.5-18.8-179.800000114.5D378 Y383D378-A381 HydrophobicContact CB-CB 3.73Å; D378-A381 PolarHBondContact OD1-N 2.87Å; A381-Y383 PolarHBondContact O-N 2.92Å
382E56.3Low68.7Low141 Ų14189.2 Ų89.266%0.65948%0.476SS*.THydrogen-bonded Turntrans-69.7-17.7172.2-69.7-173.4175.400112.9A380A380-E382 PolarHBondContact O-N 3.01Å; A380-E382 VanDerWaalsContact O-N 3.16Å
383Y60.8Low68Low202 Ų20298.8 Ų98.879%0.79252%0.52SS*.THydrogen-bonded Turntrans-108.4-8-179.4-62.5-85.6000113.4A380 A381A380-Y383 PolarHBondContact O-N 3.49Å; A381-Y383 PolarHBondContact O-N 2.92Å
384D60.1Low67.5Low86 Ų86100 Ų10046%0.4653%0.525SS..  trans-11191.3-177.4-159.4-7000109.9A380 L386 A387A380-D384 PolarHBondContact O-N 3.04Å; D384-L386 PolarHBondContact O-N 3.06Å; D384-L386 VanDerWaalsContact O-N 3.09Å; D384-L386 WeakPolarHBondContact OD1-CB 3.26Å; D384-L386 PolarHBondContact OD1-N 3.21Å; D384-A387 HydrophobicContact CB-CB 4.46Å; D384-A387 PolarHBondContact O-N 3.21Å
385E56.5Low67.1Low202 Ų202102 Ų10294%0.94454%0.536SS*.THydrogen-bonded Turntrans-64.7-6.6175.2-66.5-171.3160.900112.8
386L53.5Low66.7Low154 Ų154106.6 Ų106.681%0.80657%0.565SS**THydrogen-bonded Turntrans-106.13.7-179.1-64167.2000113.5D384 E388D384-L386 PolarHBondContact O-N 3.06Å; D384-L386 VanDerWaalsContact O-N 3.09Å; D384-L386 WeakPolarHBondContact OD1-CB 3.26Å; D384-L386 PolarHBondContact OD1-N 3.21Å; L386-E388 PolarHBondContact O-N 3.07Å
387A55.2Low66.3Low51 Ų51112.4 Ų112.442%0.42159%0.593SS.*PPolyproline II helixtrans-59.3123.1177.300000110.5D384D384-A387 HydrophobicContact CB-CB 4.46Å; D384-A387 PolarHBondContact O-N 3.21Å
388E54.2Low66.2Low177 Ų177109.2 Ų109.283%0.82758%0.58SS**PPolyproline II helixtrans-57.7129.5178.7-70-175.316500109.8L386 Q390L386-E388 PolarHBondContact O-N 3.07Å; E388-Q390 PolarHBondContact O-N 3.38Å; E388-Q390 VanDerWaalsContact O-N 3.12Å
389P57.1Low66.6Low112 Ų112105.6 Ų105.673%0.72756%0.561SS**PPolyproline II helixtrans-60121.3172.823.8-29.9000108D391P389-D391 PolarHBondContact O-N 3.38Å
390Q61.4Low67.4Low116 Ų116104.2 Ų104.254%0.54255%0.55SS.*PPolyproline II helixtrans-57.7123.4170.1-77.7173.5300108.4E388 F392E388-Q390 PolarHBondContact O-N 3.38Å; E388-Q390 VanDerWaalsContact O-N 3.12Å; Q390-F392 HydrophobicContact CB-CD2 3.82Å; Q390-F392 HydrophobicContact CB-CE2 3.33Å; Q390-F392 HydrophobicContact CB-CZ 4.1Å; Q390-F392 HydrophobicContact CG-CE2 4.31Å; Q390-F392 VanDerWaalsContact O-CD2 3.23Å; Q390-F392 WeakPolarHBondContact O-CD2 3.27Å; Q390-F392 PolarHBondContact O-N 2.98Å; Q390-F392 VanDerWaalsContact OE1-CE2 3.22Å; Q390-F392 VanDerWaalsContact OE1-CZ 3.25Å
391D62.9Low68.3Low165 Ų165104.6 Ų104.688%0.88254%0.541SS*.  trans-69.490.9179.1-76.4-33.8000110.2P389P389-D391 PolarHBondContact O-N 3.38Å
392F71.9Confident69.3Low55 Ų55106.3 Ų106.324%0.24154%0.542CS..  trans-95.8131.5167-66.3-80.9000109.2V373 A375 Q390 D394V373-F392 HydrophobicContact CB-CD1 4.24Å; V373-F392 HydrophobicContact CB-CE1 4.22Å; V373-F392 HydrophobicContact CG1-CD1 4.11Å; V373-F392 HydrophobicContact CG1-CE1 3.62Å; A375-F392 HydrophobicContact CB-CE2 3.98Å; A375-F392 HydrophobicContact CB-CZ 4.08Å; Q390-F392 HydrophobicContact CB-CD2 3.82Å; Q390-F392 HydrophobicContact CB-CE2 3.33Å; Q390-F392 HydrophobicContact CB-CZ 4.1Å; Q390-F392 HydrophobicContact CG-CE2 4.31Å; Q390-F392 VanDerWaalsContact O-CD2 3.23Å; Q390-F392 WeakPolarHBondContact O-CD2 3.27Å; Q390-F392 PolarHBondContact O-N 2.98Å; Q390-F392 VanDerWaalsContact OE1-CE2 3.22Å; Q390-F392 VanDerWaalsContact OE1-CZ 3.25Å; F392-D394 PolarHBondContact O-N 2.93Å
393Q71.6Confident70.6Confident209 Ų209106.8 Ų106.898%0.97754%0.542SS*.  trans-76.578.1170.1-68.9-176.16.200109.4
394D77.3Confident71.7Confident61 Ų61100.5 Ų100.533%0.32653%0.527SS..  trans-82.3138.1177.3-70.2-30.3000110.4F392 V399 R402F392-D394 PolarHBondContact O-N 2.93Å; D394-V399 HydrophobicContact CB-CB 4.03Å; D394-V399 HydrophobicContact CB-CG1 4.16Å; D394-V399 HydrophobicContact CB-CG2 4.13Å; D394-R402 IonicContact OD1-CZ 3.3Å; D394-R402 IonicContact OD1-NE 2.65Å; D394-R402 IonicContact OD1-NH2 3.07Å; D394-R402 PolarHBondContact OD1-NH2 2.91Å; D394-R402 IonicContact OD2-CZ 3.23Å; D394-R402 IonicContact OD2-NE 3.03Å; D394-R402 PolarHBondContact OD2-NE 3.21Å; D394-R402 IonicContact OD2-NH2 3.99Å; D394-R402 PolarHBondContact OD2-NH2 3.4Å
395D77Confident73Confident42 Ų4297.7 Ų97.723%0.22551%0.512CS..  trans-81.9117.4174.1-171.6-21.7000109.3K370 D397 I398 V399K370-D395 IonicContact NZ-OD2 2.72Å; K370-D395 PolarHBondContact NZ-OD2 3.25Å; D395-D397 PolarHBondContact O-N 2.97Å; D395-D397 VanDerWaalsContact O-N 3.16Å; D395-D397 PolarHBondContact OD1-N 3.35Å; D395-I398 HydrophobicContact CB-CB 4.3Å; D395-I398 HydrophobicContact CB-CD1 4.13Å; D395-I398 HydrophobicContact CB-CG1 4.44Å; D395-I398 PolarHBondContact O-N 2.97Å; D395-V399 PolarHBondContact O-N 2.88Å
396P77.6Confident74.5Confident104 Ų10491.4 Ų91.468%0.67548%0.481SS*.THydrogen-bonded Turntrans-63.9-21-174.926.9-35.7000113.5I398P396-I398 VanDerWaalsContact C-N 3.32Å
397D76.2Confident76.3Confident138 Ų13884.1 Ų84.174%0.73844%0.443SS*.THydrogen-bonded Turntrans-78.1-20.2177.3-71.1-22.6000112.4D395D395-D397 PolarHBondContact O-N 2.97Å; D395-D397 VanDerWaalsContact O-N 3.16Å; D395-D397 PolarHBondContact OD1-N 3.35Å
398I80.4Confident78.1Confident29 Ų2981.7 Ų81.715%0.14942%0.423CS..THydrogen-bonded Turntrans-106.7-45.7-176.8-65.5167000110.7P368 K370 L372 D395 P396 F409 F410P368-I398 HydrophobicContact CB-CD1 4.2Å; P368-I398 HydrophobicContact CB-CG1 4.33Å; P368-I398 HydrophobicContact CB-CG2 3.62Å; P368-I398 HydrophobicContact CG-CG2 3.56Å; K370-I398 HydrophobicContact CB-CD1 4.38Å; K370-I398 HydrophobicContact CD-CD1 3.95Å; K370-I398 HydrophobicContact CG-CD1 4.31Å; L372-I398 HydrophobicContact CD2-CG2 4.17Å; D395-I398 HydrophobicContact CB-CB 4.3Å; D395-I398 HydrophobicContact CB-CD1 4.13Å; D395-I398 HydrophobicContact CB-CG1 4.44Å; D395-I398 PolarHBondContact O-N 2.97Å; P396-I398 VanDerWaalsContact C-N 3.32Å; I398-F409 CarbonylContact O-C 3.57Å; I398-F409 WeakPolarHBondContact O-CA 3.27Å; I398-F409 WeakPolarHBondContact O-CB 3.47Å; I398-F410 PolarHBondContact O-N 2.91Å
399V85.9Confident79.9Confident15 Ų1573.3 Ų73.39%0.09138%0.384CS..EExtended strand (participates in β ladder)trans-101.5114.5-175.4-177.40000109.1L372 D394 D395 G408L372-V399 HydrophobicContact CD2-CG2 4.25Å; D394-V399 HydrophobicContact CB-CB 4.03Å; D394-V399 HydrophobicContact CB-CG1 4.16Å; D394-V399 HydrophobicContact CB-CG2 4.13Å; D395-V399 PolarHBondContact O-N 2.88Å; V399-G408 CarbonylContact C-O 3.59Å; V399-G408 WeakPolarHBondContact CA-O 3.46Å
400A85.9Confident81.5Confident43 Ų4371 Ų7136%0.35536%0.363SS..EExtended strand (participates in β ladder)trans-76.1-42.7179.700000112.3L333 G408 F410L333-A400 HydrophobicContact CD1-CB 3.59Å; A400-G408 PolarHBondContact N-O 3.3Å; A400-F410 HydrophobicContact CB-CD2 4.08Å; A400-F410 HydrophobicContact CB-CE1 4.49Å; A400-F410 HydrophobicContact CB-CE2 3.38Å; A400-F410 HydrophobicContact CB-CZ 3.62Å
401F88.3Confident82.9Confident69 Ų6965.6 Ų65.630%0.30334%0.338SS..EExtended strand (participates in β ladder)trans-159.2154.4178.169-89.9000110.7M319 L333 T335 K403 G408M319-F401 HydrophobicContact CE-CE1 4.15Å; M319-F401 HydrophobicContact CE-CZ 4.2Å; M319-F401 HydrophobicContact SD-CE1 3.53Å; M319-F401 VanDerWaalsContact SD-CE1 3.53Å; M319-F401 HydrophobicContact SD-CZ 3.58Å; M319-F401 VanDerWaalsContact SD-CZ 3.58Å; L333-F401 HydrophobicContact CD2-CE1 4.37Å; T335-F401 HydrophobicContact CG2-CE1 4.46Å; T335-F401 HydrophobicContact CG2-CZ 3.86Å; F401-K403 HydrophobicContact CD2-CB 4.33Å; F401-K403 HydrophobicContact CE2-CB 4.48Å; F401-G408 PolarHBondContact N-O 2.97Å; F401-G408 PolarHBondContact O-N 3.44Å
402R85.6Confident84.2Confident62 Ų6261.6 Ų61.623%0.23431%0.312CS..EExtended strand (participates in β ladder)trans-120133.2167.9179.9177.3-68.6-102.7-1.9108.6V373 D394 I407V373-R402 VanDerWaalsContact O-CZ 3.32Å; V373-R402 PolarHBondContact O-NH1 3.36Å; V373-R402 PolarHBondContact O-NH2 3.47Å; D394-R402 IonicContact OD1-CZ 3.3Å; D394-R402 IonicContact OD1-NE 2.65Å; D394-R402 IonicContact OD1-NH2 3.07Å; D394-R402 PolarHBondContact OD1-NH2 2.91Å; D394-R402 IonicContact OD2-CZ 3.23Å; D394-R402 IonicContact OD2-NE 3.03Å; D394-R402 PolarHBondContact OD2-NE 3.21Å; D394-R402 IonicContact OD2-NH2 3.99Å; D394-R402 PolarHBondContact OD2-NH2 3.4Å; R402-I407 HydrophobicContact CG-CG2 4.22Å
403K84.3Confident85Confident151 Ų15159.1 Ų59.166%0.65730%0.302SS*.EExtended strand (participates in β ladder)trans-142.1111.3174.6-172.9171.5-178.2172.20109.4F401 N405 K406F401-K403 HydrophobicContact CD2-CB 4.33Å; F401-K403 HydrophobicContact CE2-CB 4.48Å; K403-N405 PolarHBondContact O-N 2.84Å; K403-K406 PolarHBondContact N-O 3.48Å; K403-K406 WeakPolarHBondContact O-CB 3.37Å; K403-K406 PolarHBondContact O-N 2.86Å
404S83.5Confident85.8Confident70 Ų7050.6 Ų50.649%0.4926%0.264SS..THydrogen-bonded Turntrans53.7-123.9-178.4-46.10000111K406S404-K406 VanDerWaalsContact C-N 3.27Å; S404-K406 PolarHBondContact O-N 2.83Å
405N86.3Confident86.3Confident26 Ų2647.8 Ų47.814%0.13925%0.249CC..THydrogen-bonded Turntrans-8616.9177.666.6-35.9000114.3N338 K377 K403N338-N405 PolarHBondContact N-O 3.28Å; N338-N405 PolarHBondContact O-ND2 2.61Å; K377-N405 HydrophobicContact CB-CB 4.44Å; K403-N405 PolarHBondContact O-N 2.84Å
406K89.1Confident86.5Confident70 Ų7049.6 Ų49.630%0.30426%0.258SS..EExtended strand (participates in β ladder)trans-125.4137.2-176.7-175.9-176.3-65.4171.60111.2T335 L336 T337 K403 S404T335-K406 HydrophobicContact CG2-CD 4.27Å; L336-K406 WeakPolarHBondContact O-CA 3.07Å; T337-K406 WeakPolarHBondContact OG1-CE 3.47Å; K403-K406 PolarHBondContact N-O 3.48Å; K403-K406 WeakPolarHBondContact O-CB 3.37Å; K403-K406 PolarHBondContact O-N 2.86Å; S404-K406 VanDerWaalsContact C-N 3.27Å; S404-K406 PolarHBondContact O-N 2.83Å
407I91.2Very high86.6Confident1 Ų149.6 Ų49.61%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-117.8141.2170.366.1176.3000109.7T335 L336 L372 L374 R402T335-I407 CarbonylContact C-O 3.54Å; T335-I407 WeakPolarHBondContact CA-O 3.43Å; L336-I407 HydrophobicContact CB-CD1 4.34Å; L336-I407 HydrophobicContact CB-CG1 3.86Å; L336-I407 HydrophobicContact CD2-CD1 4.34Å; L336-I407 PolarHBondContact N-O 3.38Å; L336-I407 PolarHBondContact O-N 3.32Å; L372-I407 HydrophobicContact CB-CD1 3.89Å; L372-I407 HydrophobicContact CD1-CD1 4Å; L372-I407 HydrophobicContact CD2-CD1 4.33Å; L372-I407 HydrophobicContact CG-CD1 4.3Å; L374-I407 HydrophobicContact CD2-CB 4.31Å; L374-I407 HydrophobicContact CD2-CD1 3.52Å; L374-I407 HydrophobicContact CD2-CG1 3.52Å; L374-I407 HydrophobicContact CD2-CG2 3.98Å; R402-I407 HydrophobicContact CG-CG2 4.22Å
408G91.9Very high86.1Confident0 Ų050 Ų500%025%0.245CC..EExtended strand (participates in β ladder)trans-98.9128.5164.600000109.1L334 V399 A400 F401L334-G408 CarbonylContact O-C 3.6Å; L334-G408 VanDerWaalsContact O-CA 3.28Å; L334-G408 WeakPolarHBondContact O-CA 3.34Å; V399-G408 CarbonylContact C-O 3.59Å; V399-G408 WeakPolarHBondContact CA-O 3.46Å; A400-G408 PolarHBondContact N-O 3.3Å; F401-G408 PolarHBondContact N-O 2.97Å; F401-G408 PolarHBondContact O-N 3.44Å
409F91.8Very high85.5Confident1 Ų155 Ų550%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-138.4152.5-178.872.2-78.6000111.2L334 L336 L348 P368 L372 I398 I411L334-F409 HydrophobicContact CB-CD1 4.29Å; L334-F409 HydrophobicContact CB-CE1 3.73Å; L334-F409 HydrophobicContact CB-CE2 4.46Å; L334-F409 HydrophobicContact CB-CZ 3.84Å; L334-F409 HydrophobicContact CD1-CE2 4.38Å; L334-F409 HydrophobicContact CD1-CZ 3.99Å; L334-F409 PolarHBondContact N-O 3.4Å; L334-F409 PolarHBondContact O-N 2.86Å; L336-F409 HydrophobicContact CB-CD1 4.34Å; L336-F409 HydrophobicContact CB-CE1 3.94Å; L348-F409 HydrophobicContact CD1-CD2 4.2Å; L348-F409 HydrophobicContact CD1-CE2 3.35Å; L348-F409 HydrophobicContact CD1-CZ 3.77Å; P368-F409 HydrophobicContact CG-CD2 4.34Å; L372-F409 HydrophobicContact CD1-CD2 4.37Å; L372-F409 HydrophobicContact CD1-CG 4.32Å; I398-F409 CarbonylContact O-C 3.57Å; I398-F409 WeakPolarHBondContact O-CA 3.27Å; I398-F409 WeakPolarHBondContact O-CB 3.47Å; F409-I411 HydrophobicContact CD2-CG1 3.99Å; F409-I411 HydrophobicContact CE2-CD1 3.61Å; F409-I411 HydrophobicContact CE2-CG1 3.47Å; F409-I411 VanDerWaalsContact CE2-CG1 3.47Å; F409-I411 HydrophobicContact CZ-CD1 4.16Å; F409-I411 HydrophobicContact CZ-CG1 4.37Å
410F90.6Very high84.3Confident64 Ų6462 Ų6228%0.28130%0.304SS..EExtended strand (participates in β ladder)trans-93.6137.2-179-65.9-69.8000111.7Q331 V332 L333 I398 A400Q331-F410 HydrophobicContact CB-CD1 4.43Å; V332-F410 WeakPolarHBondContact O-CA 3.21Å; L333-F410 HydrophobicContact CB-CD1 4.2Å; L333-F410 HydrophobicContact CB-CE1 3.97Å; L333-F410 HydrophobicContact CD1-CD1 4.04Å; L333-F410 HydrophobicContact CD1-CE1 3.78Å; L333-F410 HydrophobicContact CD1-CZ 4.12Å; L333-F410 HydrophobicContact CG-CE1 4.33Å; I398-F410 PolarHBondContact O-N 2.91Å; A400-F410 HydrophobicContact CB-CD2 4.08Å; A400-F410 HydrophobicContact CB-CE1 4.49Å; A400-F410 HydrophobicContact CB-CE2 3.38Å; A400-F410 HydrophobicContact CB-CZ 3.62Å
411I91Very high83.5Confident3 Ų362.6 Ų62.62%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-118.3138.5165.2-60.2-168.2000108.3Q331 V332 L334 V365 V367 F409 V413 F427Q331-I411 WeakPolarHBondContact CA-O 3.28Å; V332-I411 PolarHBondContact N-O 3.36Å; V332-I411 PolarHBondContact O-N 3.29Å; L334-I411 HydrophobicContact CD1-CD1 3.34Å; L334-I411 HydrophobicContact CD1-CG1 3.88Å; L334-I411 HydrophobicContact CG-CD1 4.45Å; V365-I411 HydrophobicContact CG1-CG2 3.36Å; V367-I411 HydrophobicContact CG1-CD1 4.3Å; F409-I411 HydrophobicContact CD2-CG1 3.99Å; F409-I411 HydrophobicContact CE2-CD1 3.61Å; F409-I411 HydrophobicContact CE2-CG1 3.47Å; F409-I411 VanDerWaalsContact CE2-CG1 3.47Å; F409-I411 HydrophobicContact CZ-CD1 4.16Å; F409-I411 HydrophobicContact CZ-CG1 4.37Å; I411-V413 HydrophobicContact CG2-CG2 4.2Å; I411-F427 HydrophobicContact CD1-CE1 4.29Å; I411-F427 HydrophobicContact CD1-CZ 4.5Å
412K90.4Very high83.3Confident81 Ų8163.5 Ų63.535%0.35231%0.312SS..EExtended strand (participates in β ladder)trans-94127.9174-67.1153.6161.6-120.70109.3E329 Q331 L366E329-K412 HydrophobicContact CG-CB 4.06Å; E329-K412 HydrophobicContact CG-CG 4.34Å; E329-K412 WeakPolarHBondContact OE1-CD 3.35Å; E329-K412 WeakPolarHBondContact OE1-CE 3.32Å; E329-K412 WeakPolarHBondContact OE1-CG 3.26Å; E329-K412 IonicContact OE1-NZ 3.88Å; E329-K412 PolarHBondContact OE1-NZ 3.21Å; Q331-K412 HydrophobicContact CG-CG 4.01Å; L366-K412 HydrophobicContact CB-CB 4.13Å; L366-K412 HydrophobicContact CD1-CB 4.38Å; L366-K412 PolarHBondContact N-O 2.86Å; L366-K412 PolarHBondContact O-N 3.48Å
413V89.8Confident83.3Confident2 Ų260.7 Ų60.71%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-122.7134.2-177.6-179.30000109.2S330 V332 I411 V425 L464S330-V413 PolarHBondContact N-O 3.39Å; S330-V413 PolarHBondContact O-N 3.3Å; V332-V413 HydrophobicContact CG2-CB 4.41Å; V332-V413 HydrophobicContact CG2-CG2 3.89Å; I411-V413 HydrophobicContact CG2-CG2 4.2Å; V413-V425 HydrophobicContact CB-CG2 4.44Å; V413-V425 HydrophobicContact CG1-CG2 3.51Å; V413-V425 HydrophobicContact CG2-CG2 4.01Å; V413-L464 HydrophobicContact CB-CD1 4.46Å; V413-L464 HydrophobicContact CG1-CD1 4.06Å; V413-L464 HydrophobicContact CG2-CD1 4.14Å
414V88.3Confident83.5Confident30 Ų3054.1 Ų54.118%0.18227%0.274CS..EExtended strand (participates in β ladder)trans-120.9106.6175.1-175.50000108.8E329 S363 K364 L416E329-V414 HydrophobicContact CB-CG2 4.18Å; E329-V414 HydrophobicContact CG-CG2 4.34Å; S363-V414 CarbonylContact C-O 3.59Å; S363-V414 VanDerWaalsContact CA-O 3.28Å; S363-V414 WeakPolarHBondContact CA-O 3.29Å; S363-V414 WeakPolarHBondContact CB-O 3.32Å; K364-V414 PolarHBondContact N-O 3.37Å; K364-V414 PolarHBondContact O-N 2.92Å; V414-L416 HydrophobicContact CG1-CD2 4.38Å; V414-L416 PolarHBondContact O-N 3.49Å
415P86.3Confident83.8Confident2 Ų250.8 Ų50.81%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-65.7126.3173.8-19.432.5000111.9L324 M327 K328 S363 V423 L467L324-P415 HydrophobicContact CB-CG 4.37Å; M327-P415 PolarHBondContact N-O 2.86Å; K328-P415 WeakPolarHBondContact O-CD 3.39Å; S363-P415 WeakPolarHBondContact OG-CA 3.47Å; P415-V423 HydrophobicContact CB-CG1 4.47Å; P415-V423 HydrophobicContact CG-CG1 4.28Å; P415-L467 HydrophobicContact CB-CD2 3.79Å; P415-L467 HydrophobicContact CG-CD2 3.9Å
416L83.2Confident83.9Confident81 Ų8149.7 Ų49.742%0.42425%0.245SC..  trans-104.9-15.9-175.8-64.9178000113.7Y326 M327 T362 K364 V414Y326-L416 WeakPolarHBondContact CE2-O 3.24Å; M327-L416 HydrophobicContact CE-CD2 4.3Å; M327-L416 HydrophobicContact SD-CD2 4.08Å; T362-L416 PolarHBondContact O-N 2.9Å; K364-L416 HydrophobicContact CB-CD1 4.1Å; K364-L416 HydrophobicContact CB-CG 4.48Å; V414-L416 HydrophobicContact CG1-CD2 4.38Å; V414-L416 PolarHBondContact O-N 3.49Å
417K78.1Confident84Confident103 Ų10346.4 Ų46.445%0.44823%0.231SC..  trans-109.2137.1178.9-66.2-176.6-176.2173.20110.3T362T362-K417 HydrophobicContact CG2-CD 4.04Å
418E66.9Low84Confident147 Ų14749 Ų4969%0.68724%0.241SC*.  trans-94-10.5-179.1-160.6173.1-166.700112.1Y326Y326-E418 HydrophobicContact CD2-CB 3.8Å; Y326-E418 HydrophobicContact CD2-CG 4.19Å; Y326-E418 HydrophobicContact CE2-CB 3.72Å; Y326-E418 HydrophobicContact CE2-CG 4.45Å; Y326-E418 HydrophobicContact CG-CB 4.34Å; Y326-E418 HydrophobicContact CG-CG 4.24Å
419E66.6Low84.1Confident134 Ų13449 Ų4963%0.62624%0.241SC*.SBendtrans-58.2144176.7-64-179.6177.700110.5T421E419-T421 HydrophobicContact CB-CG2 4.01Å; E419-T421 PolarHBondContact O-N 3.12Å; E419-T421 PolarHBondContact O-OG1 3.24Å
420D60.5Low84.2Confident161 Ų16154.4 Ų54.486%0.86126%0.261SS*.SBendtrans-67.940.9-179-149.814.3000112.6
421T70.8Confident84.3Confident57 Ų5751.4 Ų51.435%0.3525%0.248SC..SBendtrans-108.4145.7-173.153.30000108.7E419 V423E419-T421 HydrophobicContact CB-CG2 4.01Å; E419-T421 PolarHBondContact O-N 3.12Å; E419-T421 PolarHBondContact O-OG1 3.24Å; T421-V423 PolarHBondContact O-N 3.05Å
422D83.4Confident84.3Confident87 Ų8751.9 Ų51.947%0.46525%0.251SS..  trans-58.2134.1178.5-77-27.2000111T424 P466D422-T424 PolarHBondContact O-N 3.48Å; D422-P466 WeakPolarHBondContact OD1-CD 3.38Å
423V85.5Confident84.2Confident3 Ų348.6 Ų48.62%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-70.2116.3175-174.60000109.3L324 T362 S363 P415 T421 L464 G465 L467L324-V423 HydrophobicContact CB-CG2 4.48Å; L324-V423 HydrophobicContact CD1-CB 3.78Å; L324-V423 HydrophobicContact CD1-CG1 4.02Å; L324-V423 HydrophobicContact CD1-CG2 3.84Å; T362-V423 WeakPolarHBondContact OG1-CA 3.26Å; S363-V423 WeakPolarHBondContact OG-CG1 3.47Å; P415-V423 HydrophobicContact CB-CG1 4.47Å; P415-V423 HydrophobicContact CG-CG1 4.28Å; T421-V423 PolarHBondContact O-N 3.05Å; V423-L464 HydrophobicContact CB-CB 4.4Å; V423-L464 HydrophobicContact CG1-CD1 4.3Å; V423-L464 PolarHBondContact O-N 3.41Å; V423-G465 WeakPolarHBondContact CB-O 3.21Å; V423-G465 PolarHBondContact N-O 3.21Å; V423-L467 HydrophobicContact CG2-CD2 3.63Å; V423-L467 HydrophobicContact CG2-CG 3.81Å
424T88.3Confident83.9Confident13 Ų1354.1 Ų54.18%0.0826%0.257CS..EExtended strand (participates in β ladder)trans-117.2143.8179.253.50000111.3N360 T362 D422 L462 R463N360-T424 PolarHBondContact O-OG1 3.04Å; T362-T424 PolarHBondContact N-O 3.41Å; T362-T424 PolarHBondContact N-OG1 3.04Å; T362-T424 PolarHBondContact OG1-N 3.13Å; T362-T424 PolarHBondContact OG1-O 3.26Å; T362-T424 PolarHBondContact OG1-OG1 3Å; D422-T424 PolarHBondContact O-N 3.48Å; T424-L462 CarbonylContact C-O 3.57Å; T424-L462 VanDerWaalsContact CA-O 3.29Å; T424-L462 WeakPolarHBondContact CA-O 3.27Å; T424-R463 HydrophobicContact CG2-CG 4.14Å
425V89.2Confident83.3Confident1 Ų154 Ų541%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-136126.7-172.7152.10000109.3V365 V413 F427 E461 L462 L464V365-V425 HydrophobicContact CB-CG1 4.33Å; V365-V425 HydrophobicContact CG1-CG1 4.09Å; V365-V425 HydrophobicContact CG2-CB 3.89Å; V365-V425 HydrophobicContact CG2-CG1 3.27Å; V365-V425 HydrophobicContact CG2-CG2 3.69Å; V413-V425 HydrophobicContact CB-CG2 4.44Å; V413-V425 HydrophobicContact CG1-CG2 3.51Å; V413-V425 HydrophobicContact CG2-CG2 4.01Å; V425-F427 HydrophobicContact CG1-CD1 4.33Å; V425-E461 CarbonylContact O-C 3.54Å; V425-E461 WeakPolarHBondContact O-CA 3.47Å; V425-L462 HydrophobicContact CB-CB 4.26Å; V425-L462 HydrophobicContact CG1-CB 4.37Å; V425-L462 HydrophobicContact CG1-CD1 4.15Å; V425-L462 PolarHBondContact N-O 3.42Å; V425-L462 PolarHBondContact O-N 3.2Å; V425-L464 HydrophobicContact CG2-CD1 3.9Å
426S89.6Confident82.5Confident3 Ų359.7 Ų59.72%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-110.8142.4172.6-62.80000112.1D358 S361 H459 V460D358-S426 WeakPolarHBondContact OD1-CB 3.4Å; D358-S426 PolarHBondContact OD1-OG 3.19Å; S361-S426 VanDerWaalsContact OG-CB 3.28Å; S361-S426 WeakPolarHBondContact OG-CB 3Å; S361-S426 PolarHBondContact OG-N 3.42Å; S361-S426 PolarHBondContact OG-OG 3.19Å; S361-S426 VanDerWaalsContact OG-OG 3.08Å; S426-H459 VanDerWaalsContact CB-CE1 3.42Å; S426-H459 WeakPolarHBondContact CB-CE1 3.28Å; S426-H459 PolarHBondContact OG-CE1 3.16Å; S426-V460 WeakPolarHBondContact CA-O 3.37Å
427F91.1Very high81.3Confident0 Ų057.8 Ų57.80%028%0.281CS..EExtended strand (participates in β ladder)trans-151.5162.1166.864.2-85.5000111.5V316 L348 V367 I411 V425 M429 V460 L462V316-F427 HydrophobicContact CG1-CZ 4.36Å; V316-F427 HydrophobicContact CG2-CZ 4.41Å; L348-F427 HydrophobicContact CD2-CD2 4.04Å; L348-F427 HydrophobicContact CD2-CE2 3.77Å; V367-F427 HydrophobicContact CG1-CB 4.04Å; V367-F427 HydrophobicContact CG1-CG 4.35Å; I411-F427 HydrophobicContact CD1-CE1 4.29Å; I411-F427 HydrophobicContact CD1-CZ 4.5Å; V425-F427 HydrophobicContact CG1-CD1 4.33Å; F427-M429 HydrophobicContact CE2-CB 4.22Å; F427-V460 HydrophobicContact CE1-CB 4.23Å; F427-V460 HydrophobicContact CE1-CG1 4.22Å; F427-V460 HydrophobicContact CE2-CB 4.22Å; F427-V460 HydrophobicContact CE2-CG2 4.44Å; F427-V460 HydrophobicContact CZ-CB 3.99Å; F427-V460 HydrophobicContact CZ-CG1 4.04Å; F427-V460 PolarHBondContact N-O 2.99Å; F427-V460 PolarHBondContact O-N 3.25Å; F427-L462 HydrophobicContact CD1-CD1 4.46Å; F427-L462 HydrophobicContact CE1-CD1 3.66Å; F427-L462 HydrophobicContact CE1-CG 3.92Å
428R91.6Very high80.3Confident57 Ų5755 Ų5522%0.21528%0.277CS..EExtended strand (participates in β ladder)trans-96.1121.8176-65.7-177.2-72.1-170.94.4109.5L348 A349 V350 E352 D355 T457 H458L348-R428 WeakPolarHBondContact CA-O 3.4Å; A349-R428 HydrophobicContact CB-CB 4.35Å; A349-R428 PolarHBondContact N-O 2.82Å; A349-R428 PolarHBondContact O-N 2.63Å; V350-R428 PolarHBondContact O-NE 3.12Å; V350-R428 PolarHBondContact O-NH2 3.06Å; E352-R428 IonicContact OE1-CZ 3.31Å; E352-R428 IonicContact OE1-NH1 2.66Å; E352-R428 IonicContact OE1-NH2 2.69Å; E352-R428 PolarHBondContact OE1-NH2 3.48Å; D355-R428 IonicContact OD2-CZ 2.77Å; D355-R428 IonicContact OD2-NH1 2.74Å; R428-T457 HydrophobicContact CB-CG2 4.04Å; R428-T457 HydrophobicContact CG-CG2 4.46Å; R428-H458 CarbonylContact C-O 3.58Å; R428-H458 WeakPolarHBondContact CA-O 3.4Å
429M93.4Very high79.4Confident0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-102.8115.8172.4-177.1-175.275.700109.1Y12 I313 P314 V316 L336 V346 L348 F427 T457 H458 V460Y12-M429 HydrophobicContact CE1-CE 4.01Å; I313-M429 HydrophobicContact CG2-CE 3.85Å; P314-M429 HydrophobicContact CB-CE 4.33Å; P314-M429 HydrophobicContact CB-SD 4.39Å; P314-M429 WeakPolarHBondContact O-CE 3.34Å; V316-M429 HydrophobicContact CG2-SD 3.8Å; L336-M429 HydrophobicContact CD1-SD 3.84Å; V346-M429 HydrophobicContact CG1-CG 3.72Å; V346-M429 HydrophobicContact CG1-SD 4.43Å; L348-M429 HydrophobicContact CD2-CB 4Å; L348-M429 HydrophobicContact CD2-CG 3.84Å; F427-M429 HydrophobicContact CE2-CB 4.22Å; M429-T457 WeakPolarHBondContact O-CA 3.39Å; M429-H458 HydrophobicContact CE-CB 4.48Å; M429-H458 PolarHBondContact N-O 3.15Å; M429-H458 PolarHBondContact O-N 3.09Å; M429-V460 HydrophobicContact CB-CG2 4.06Å
430R93.5Very high78.5Confident113 Ų11352.8 Ų52.843%0.42628%0.279SS..EExtended strand (participates in β ladder)trans-107.5129.3176.1174.4179.8176.7173.43109.2V346 T347 W455 L456V346-R430 CarbonylContact C-O 3.59Å; V346-R430 WeakPolarHBondContact CA-O 3.35Å; T347-R430 PolarHBondContact N-O 3.5Å; T347-R430 PolarHBondContact O-N 3.29Å; T347-R430 WeakPolarHBondContact OG1-CB 3.48Å; R430-W455 HydrophobicContact CG-CB 4.4Å; R430-W455 HydrophobicContact CG-CD2 4.45Å; R430-W455 HydrophobicContact CG-CE3 3.66Å; R430-W455 HydrophobicContact CG-CZ3 4.33Å; R430-L456 CarbonylContact C-O 3.59Å; R430-L456 VanDerWaalsContact CA-O 3.3Å; R430-L456 WeakPolarHBondContact CA-O 3.4Å
431H92.8Very high77.9Confident2 Ų255.7 Ų55.71%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-135.6155.3178.573-61.6000111.4P314 T344 H345 V346 W455 L456 H458P314-H431 WeakPolarHBondContact CD-CD2 3.26Å; P314-H431 HydrophobicContact CG-CB 4.22Å; T344-H431 HydrophobicContact CG2-CB 4.15Å; H345-H431 VanDerWaalsContact O-CA 3.25Å; H345-H431 WeakPolarHBondContact O-CA 3.43Å; V346-H431 HydrophobicContact CG2-CB 3.9Å; H431-W455 WeakPolarHBondContact O-CA 3.3Å; H431-L456 PolarHBondContact N-O 2.9Å; H431-L456 PolarHBondContact ND1-O 3.49Å; H431-L456 PolarHBondContact O-N 3.05Å; H431-H458 AromaticContact CE1-CD2 3.48Å; H431-H458 PolarHBondContact CE1-CD2 3.09Å; H431-H458 VanDerWaalsContact CE1-CD2 3.48Å; H431-H458 AromaticContact CE1-NE2 3.19Å; H431-H458 PolarHBondContact CE1-NE2 3.02Å; H431-H458 AromaticContact ND1-CD2 3.65Å; H431-H458 AromaticContact ND1-NE2 3.81Å
432D91.1Very high76.3Confident13 Ų1358.5 Ų58.57%0.0730%0.297CS..EExtended strand (participates in β ladder)trans-80134.7172.276.2-43.2000110.8T344 H345 A453 W455T344-D432 VanDerWaalsContact CA-OD1 3.31Å; T344-D432 WeakPolarHBondContact CA-OD1 3.4Å; T344-D432 VanDerWaalsContact CG2-OD1 3.25Å; T344-D432 WeakPolarHBondContact CG2-OD1 3.38Å; H345-D432 HydrophobicContact CB-CB 4.49Å; H345-D432 IonicContact CD2-OD2 2.88Å; H345-D432 PolarHBondContact N-OD1 2.92Å; H345-D432 PolarHBondContact O-N 3.22Å; H345-D432 VanDerWaalsContact O-N 3.16Å; D432-A453 HydrophobicContact CB-CB 4.32Å; D432-W455 HydrophobicContact CB-CD2 4.45Å; D432-W455 HydrophobicContact CB-CE3 4.24Å; D432-W455 HydrophobicContact CB-CH2 4.4Å; D432-W455 HydrophobicContact CB-CZ3 4.23Å
433F88.3Confident74.3Confident12 Ų1257.4 Ų57.45%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-126.6121.3179.6175.2-101.5000109.7F29 R31 Y312 N435 V454 L456F29-F433 HydrophobicContact CD1-CE2 4.46Å; F29-F433 HydrophobicContact CD1-CZ 4.46Å; F29-F433 HydrophobicContact CE1-CD1 4.41Å; F29-F433 HydrophobicContact CE1-CD2 4.2Å; F29-F433 AromaticContact CE1-CE1 3.8Å; F29-F433 HydrophobicContact CE1-CE1 3.8Å; F29-F433 AromaticContact CE1-CE2 3.57Å; F29-F433 HydrophobicContact CE1-CE2 3.57Å; F29-F433 AromaticContact CE1-CZ 3.37Å; F29-F433 HydrophobicContact CE1-CZ 3.37Å; F29-F433 HydrophobicContact CZ-CD1 4.09Å; F29-F433 HydrophobicContact CZ-CD2 4.25Å; F29-F433 AromaticContact CZ-CE1 3.87Å; F29-F433 HydrophobicContact CZ-CE1 3.87Å; F29-F433 HydrophobicContact CZ-CE2 4.06Å; F29-F433 HydrophobicContact CZ-CG 4.3Å; F29-F433 AromaticContact CZ-CZ 3.89Å; F29-F433 HydrophobicContact CZ-CZ 3.89Å; R31-F433 HydrophobicContact CG-CZ 4.49Å; Y312-F433 HydrophobicContact CD1-CE2 4.17Å; F433-N435 HydrophobicContact CD1-CB 4.48Å; F433-N435 HydrophobicContact CE1-CB 3.79Å; F433-V454 PolarHBondContact N-O 2.88Å; F433-V454 PolarHBondContact O-N 2.76Å; F433-L456 HydrophobicContact CB-CD1 3.48Å; F433-L456 VanDerWaalsContact CB-CD1 3.48Å; F433-L456 HydrophobicContact CB-CG 3.88Å; F433-L456 HydrophobicContact CD1-CD1 3.95Å; F433-L456 HydrophobicContact CD2-CD1 4.44Å; F433-L456 HydrophobicContact CG-CD1 3.68Å
434R84Confident72.4Confident118 Ų11867.2 Ų67.245%0.44534%0.342SS..EExtended strand (participates in β ladder)trans-98.5115.5176.9-62-175.2-173-168.5-0.9110L436 A453R434-L436 PolarHBondContact O-N 3.03Å; R434-A453 HydrophobicContact CG-CB 4.11Å
435N75.6Confident70.2Confident26 Ų2674.6 Ų74.614%0.13938%0.376CS..  trans-85.789.9-178.8-166.8-1.6000112R31 F433 A437 A438 H451R31-N435 PolarHBondContact O-ND2 2.73Å; F433-N435 HydrophobicContact CD1-CB 4.48Å; F433-N435 HydrophobicContact CE1-CB 3.79Å; N435-A437 PolarHBondContact O-N 2.87Å; N435-A437 VanDerWaalsContact O-N 3.09Å; N435-A437 PolarHBondContact OD1-N 3.15Å; N435-A438 PolarHBondContact O-N 2.87Å; N435-H451 PolarHBondContact O-CE1 2.92Å; N435-H451 PolarHBondContact O-ND1 3Å
436L68.9Low67.9Low122 Ų12279.1 Ų79.164%0.63942%0.423SS*.THydrogen-bonded Turntrans-65.2-8.4178.1-60.2173000114.5R434R434-L436 PolarHBondContact O-N 3.03Å
437A59Low65.3Low42 Ų4281.4 Ų81.435%0.34745%0.447SS..THydrogen-bonded Turntrans-102.1-4-176.100000114N435N435-A437 PolarHBondContact O-N 2.87Å; N435-A437 VanDerWaalsContact O-N 3.09Å; N435-A437 PolarHBondContact OD1-N 3.15Å
438A55.4Low62.9Low43 Ų4389.5 Ų89.536%0.35549%0.49SS..SBendtrans-74133.5173.300000109.5N435 I440N435-A438 PolarHBondContact O-N 2.87Å; A438-I440 PolarHBondContact O-N 3.16Å
439P48.3Very low60.6Low119 Ų11988.9 Ų88.977%0.77350%0.497SS*.  trans-59.5129173.524-31.1000109R441P439-R441 PolarHBondContact O-N 2.72Å
440I48.4Very low58.5Low116 Ų11692.7 Ų92.760%0.59553%0.529SS*.  trans-57.9112.7174.7-58.5166.9000106.6A438 P442 A449A438-I440 PolarHBondContact O-N 3.16Å; I440-P442 WeakPolarHBondContact O-CD 3.42Å; I440-A449 HydrophobicContact CG2-CB 4.12Å
441R46.9Very low56.8Low222 Ų22290.2 Ų90.284%0.83852%0.522SS*.PPolyproline II helixtrans-75.8118.1162.2-70.9-175.3-179.9178.80.2105.2P439 S443P439-R441 PolarHBondContact O-N 2.72Å; R441-S443 PolarHBondContact O-N 3.26Å; R441-S443 VanDerWaalsContact O-N 3.11Å
442P38.2Very low55.6Low116 Ų11698.7 Ų98.775%0.75356%0.561SS**PPolyproline II helixtrans-60.3119.6170.824.2-29.5000107.3I440I440-P442 WeakPolarHBondContact O-CD 3.42Å
443S40.6Very low54.8Low64 Ų64100.1 Ų100.145%0.44858%0.575SS.*PPolyproline II helixtrans-65.2138.9163.548.50000107.9R441 E445R441-S443 PolarHBondContact O-N 3.26Å; R441-S443 VanDerWaalsContact O-N 3.11Å; S443-E445 PolarHBondContact O-N 3.09Å; S443-E445 VanDerWaalsContact O-N 3.12Å; S443-E445 PolarHBondContact OG-O 3.41Å
444E47.2Very low54.8Low209 Ų209102.6 Ų102.698%0.97759%0.591SS**SBendtrans-67.5-5.2176.2-67.7-174.3151.700112.8
445E41.8Very low55.1Low168 Ų168101.9 Ų101.979%0.78559%0.589SS**SBendtrans-107.7122.5171-64.9-177.216700108.9S443 G447S443-E445 PolarHBondContact O-N 3.09Å; S443-E445 VanDerWaalsContact O-N 3.12Å; S443-E445 PolarHBondContact OG-O 3.41Å; E445-G447 PolarHBondContact O-N 3.46Å
446G39.5Very low55.9Low97 Ų97101.5 Ų101.5100%159%0.586SS**  trans-68.658.3-172.500000115.5
447G36.8Very low57Low50 Ų5099 Ų9952%0.51558%0.576SS.*SBendtrans-106.8144.3159.800000109.7E445 A449E445-G447 PolarHBondContact O-N 3.46Å; G447-A449 PolarHBondContact O-N 3.47Å
448D39.3Very low58.6Low171 Ų17197.6 Ų97.691%0.91456%0.562SS**  trans-48108.9169.1-84.9-35.8000109.3A450D448-A450 PolarHBondContact O-N 3.16Å
449A43.3Very low60.4Low43 Ų4395.9 Ų95.936%0.35555%0.547SS..  trans-71.378177.600000109I440 G447 H451I440-A449 HydrophobicContact CG2-CB 4.12Å; G447-A449 PolarHBondContact O-N 3.47Å; A449-H451 PolarHBondContact O-N 3.23Å
450A50.6Low62.5Low81 Ų8190.2 Ų90.267%0.66951%0.51SS*.PPolyproline II helixtrans-56.4133.9169.500000108.5D448 E452D448-A450 PolarHBondContact O-N 3.16Å; A450-E452 PolarHBondContact O-N 3.21Å
451H57.2Low64.6Low60 Ų6084.8 Ų84.828%0.27848%0.482SS..PPolyproline II helixtrans-51.6117.2176.4-67.3-83.8000110.1N435 A449 A453N435-H451 PolarHBondContact O-CE1 2.92Å; N435-H451 PolarHBondContact O-ND1 3Å; A449-H451 PolarHBondContact O-N 3.23Å; H451-A453 PolarHBondContact O-N 3Å
452E66.8Low66.7Low180 Ų18074.4 Ų74.484%0.84144%0.443SS*.PPolyproline II helixtrans-55.4126.7174.8-78.3-175157.300109.8A450 V454A450-E452 PolarHBondContact O-N 3.21Å; E452-V454 PolarHBondContact O-N 3Å
453A75.7Confident69.2Low43 Ų4373.6 Ų73.636%0.35543%0.425SS..EExtended strand (participates in β ladder)trans-74.2122.4178.700000109.6D432 R434 H451D432-A453 HydrophobicContact CB-CB 4.32Å; R434-A453 HydrophobicContact CG-CB 4.11Å; H451-A453 PolarHBondContact O-N 3Å
454V87Confident71.4Confident65 Ų6570.9 Ų70.939%0.39441%0.406SS..EExtended strand (participates in β ladder)trans-94.5128.2176.8-178.70000108.6F433 E452 L456F433-V454 PolarHBondContact N-O 2.88Å; F433-V454 PolarHBondContact O-N 2.76Å; E452-V454 PolarHBondContact O-N 3Å; V454-L456 HydrophobicContact CG1-CD2 3.95Å; V454-L456 PolarHBondContact O-N 3.3Å
455W90Very high73.3Confident103 Ų10361.4 Ų61.439%0.3936%0.364SS..EExtended strand (participates in β ladder)trans-80121.2174.3-71.395.2000111.2H345 R430 H431 D432H345-W455 HydrophobicContact CB-CH2 3.91Å; H345-W455 HydrophobicContact CB-CZ3 4.36Å; R430-W455 HydrophobicContact CG-CB 4.4Å; R430-W455 HydrophobicContact CG-CD2 4.45Å; R430-W455 HydrophobicContact CG-CE3 3.66Å; R430-W455 HydrophobicContact CG-CZ3 4.33Å; H431-W455 WeakPolarHBondContact O-CA 3.3Å; D432-W455 HydrophobicContact CB-CD2 4.45Å; D432-W455 HydrophobicContact CB-CE3 4.24Å; D432-W455 HydrophobicContact CB-CH2 4.4Å; D432-W455 HydrophobicContact CB-CZ3 4.23Å
456L92Very high75.4Confident17 Ų1757.4 Ų57.49%0.08935%0.353CS..EExtended strand (participates in β ladder)trans-112.2127.5179.3-60.4-178.5000110.7F29 R430 H431 F433 V454F29-L456 HydrophobicContact CE2-CD1 3.73Å; F29-L456 HydrophobicContact CZ-CD1 3.69Å; R430-L456 CarbonylContact C-O 3.59Å; R430-L456 VanDerWaalsContact CA-O 3.3Å; R430-L456 WeakPolarHBondContact CA-O 3.4Å; H431-L456 PolarHBondContact N-O 2.9Å; H431-L456 PolarHBondContact ND1-O 3.49Å; H431-L456 PolarHBondContact O-N 3.05Å; F433-L456 HydrophobicContact CB-CD1 3.48Å; F433-L456 VanDerWaalsContact CB-CD1 3.48Å; F433-L456 HydrophobicContact CB-CG 3.88Å; F433-L456 HydrophobicContact CD1-CD1 3.95Å; F433-L456 HydrophobicContact CD2-CD1 4.44Å; F433-L456 HydrophobicContact CG-CD1 3.68Å; V454-L456 HydrophobicContact CG1-CD2 3.95Å; V454-L456 PolarHBondContact O-N 3.3Å
457T92.8Very high77.4Confident69 Ų6954.3 Ų54.342%0.42331%0.313SS..EExtended strand (participates in β ladder)trans-104.7126.3178.3-52.30000110.5R428 M429R428-T457 HydrophobicContact CB-CG2 4.04Å; R428-T457 HydrophobicContact CG-CG2 4.46Å; M429-T457 WeakPolarHBondContact O-CA 3.39Å
458H93Very high79.4Confident13 Ų1353.2 Ų53.26%0.0630%0.299CS..EExtended strand (participates in β ladder)trans-118.6133.7176.2-61.5-59.7000110.2Y12 R428 M429 H431Y12-H458 HydrophobicContact CD1-CB 4.23Å; R428-H458 CarbonylContact C-O 3.58Å; R428-H458 WeakPolarHBondContact CA-O 3.4Å; M429-H458 HydrophobicContact CE-CB 4.48Å; M429-H458 PolarHBondContact N-O 3.15Å; M429-H458 PolarHBondContact O-N 3.09Å; H431-H458 AromaticContact CE1-CD2 3.48Å; H431-H458 PolarHBondContact CE1-CD2 3.09Å; H431-H458 VanDerWaalsContact CE1-CD2 3.48Å; H431-H458 AromaticContact CE1-NE2 3.19Å; H431-H458 PolarHBondContact CE1-NE2 3.02Å; H431-H458 AromaticContact ND1-CD2 3.65Å; H431-H458 AromaticContact ND1-NE2 3.81Å
459H92.3Very high80.6Confident7 Ų754 Ų543%0.03231%0.314CS..EExtended strand (participates in β ladder)trans-89.6119172.3-173.5-69.2000108.4L13 C351 S426L13-H459 HydrophobicContact CB-CB 3.83Å; L13-H459 HydrophobicContact CD2-CB 3.96Å; L13-H459 PolarHBondContact N-O 3.34Å; C351-H459 VanDerWaalsContact SG-CD2 3.51Å; C351-H459 PolarHBondContact SG-NE2 3.24Å; S426-H459 VanDerWaalsContact CB-CE1 3.42Å; S426-H459 WeakPolarHBondContact CB-CE1 3.28Å; S426-H459 PolarHBondContact OG-CE1 3.16Å
460V92.8Very high82.5Confident0 Ų054.6 Ų54.60%031%0.312CS..EExtended strand (participates in β ladder)trans-110.5130.5-175.8-174.80000108.4V10 L11 Y12 S426 F427 M429 L462V10-V460 HydrophobicContact CG1-CG1 3.85Å; L11-V460 WeakPolarHBondContact O-CA 2.97Å; Y12-V460 HydrophobicContact CD1-CG2 3.88Å; Y12-V460 HydrophobicContact CE1-CG2 3.66Å; S426-V460 WeakPolarHBondContact CA-O 3.37Å; F427-V460 HydrophobicContact CE1-CB 4.23Å; F427-V460 HydrophobicContact CE1-CG1 4.22Å; F427-V460 HydrophobicContact CE2-CB 4.22Å; F427-V460 HydrophobicContact CE2-CG2 4.44Å; F427-V460 HydrophobicContact CZ-CB 3.99Å; F427-V460 HydrophobicContact CZ-CG1 4.04Å; F427-V460 PolarHBondContact N-O 2.99Å; F427-V460 PolarHBondContact O-N 3.25Å; M429-V460 HydrophobicContact CB-CG2 4.06Å; V460-L462 HydrophobicContact CG1-CD2 4.3Å
461E92Very high84.2Confident2 Ų253.2 Ų53.21%0.00929%0.293CS..EExtended strand (participates in β ladder)trans-114.2125.6175.3179.9176.114700109.2V10 L11 R21 N360 V425V10-E461 WeakPolarHBondContact CA-O 3.44Å; L11-E461 HydrophobicContact CB-CB 4.44Å; L11-E461 PolarHBondContact N-O 3.17Å; L11-E461 PolarHBondContact O-N 3.23Å; R21-E461 WeakPolarHBondContact CD-OE2 3.47Å; R21-E461 IonicContact CZ-OE2 2.69Å; R21-E461 IonicContact NE-OE2 2.72Å; R21-E461 PolarHBondContact NE-OE2 3.03Å; N360-E461 PolarHBondContact ND2-OE1 3.01Å; N360-E461 VanDerWaalsContact ND2-OE1 3.1Å; V425-E461 CarbonylContact O-C 3.54Å; V425-E461 WeakPolarHBondContact O-CA 3.47Å
462L91.6Very high85.7Confident4 Ų452.8 Ų52.82%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-106.5135.1176.7-58.5178.5000109.5R9 V10 V316 I318 L334 T424 V425 F427 V460 L464R9-L462 CarbonylContact O-C 3.54Å; V10-L462 HydrophobicContact CB-CD2 4.09Å; V10-L462 HydrophobicContact CG1-CD2 3.68Å; V10-L462 HydrophobicContact CG2-CD2 3.55Å; V316-L462 HydrophobicContact CG1-CD2 4.2Å; I318-L462 HydrophobicContact CD1-CD2 4.41Å; I318-L462 HydrophobicContact CG1-CD2 4.24Å; L334-L462 HydrophobicContact CD1-CD1 3.58Å; L334-L462 HydrophobicContact CD2-CD1 4Å; L334-L462 HydrophobicContact CG-CD1 4.45Å; T424-L462 CarbonylContact C-O 3.57Å; T424-L462 VanDerWaalsContact CA-O 3.29Å; T424-L462 WeakPolarHBondContact CA-O 3.27Å; V425-L462 HydrophobicContact CB-CB 4.26Å; V425-L462 HydrophobicContact CG1-CB 4.37Å; V425-L462 HydrophobicContact CG1-CD1 4.15Å; V425-L462 PolarHBondContact N-O 3.42Å; V425-L462 PolarHBondContact O-N 3.2Å; F427-L462 HydrophobicContact CD1-CD1 4.46Å; F427-L462 HydrophobicContact CE1-CD1 3.66Å; F427-L462 HydrophobicContact CE1-CG 3.92Å; V460-L462 HydrophobicContact CG1-CD2 4.3Å; L462-L464 HydrophobicContact CB-CD2 4.28Å
463R90.9Very high86.8Confident100 Ų10045.4 Ų45.438%0.37726%0.262SS..EExtended strand (participates in β ladder)trans-107.3107.5169.5-57.9-174.5174176.1-3.5108.6R9 T424R9-R463 PolarHBondContact O-N 2.69Å; T424-R463 HydrophobicContact CG2-CG 4.14Å
464L87.6Confident87.5Confident7 Ų745.5 Ų45.54%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-87.7-14.5-175.5-55.2176.1000112.3I318 I321 L324 V332 V413 V423 V425 L462I318-L464 HydrophobicContact CD1-CD2 4.05Å; I321-L464 VanDerWaalsContact CD1-O 3.31Å; I321-L464 WeakPolarHBondContact CD1-O 3.18Å; I321-L464 HydrophobicContact CG2-CB 4.33Å; L324-L464 HydrophobicContact CD1-CB 3.67Å; L324-L464 HydrophobicContact CD1-CD1 4.25Å; V332-L464 HydrophobicContact CG1-CD2 4.03Å; V332-L464 HydrophobicContact CG2-CD1 4.03Å; V332-L464 HydrophobicContact CG2-CD2 4.42Å; V413-L464 HydrophobicContact CB-CD1 4.46Å; V413-L464 HydrophobicContact CG1-CD1 4.06Å; V413-L464 HydrophobicContact CG2-CD1 4.14Å; V423-L464 HydrophobicContact CB-CB 4.4Å; V423-L464 HydrophobicContact CG1-CD1 4.3Å; V423-L464 PolarHBondContact O-N 3.41Å; V425-L464 HydrophobicContact CG2-CD1 3.9Å; L462-L464 HydrophobicContact CB-CD2 4.28Å
465G85.6Confident87.5Confident10 Ų1044.2 Ų44.210%0.10325%0.247CC..EExtended strand (participates in β ladder)trans96.3-170.4-179.300000112.4V423V423-G465 WeakPolarHBondContact CB-O 3.21Å; V423-G465 PolarHBondContact N-O 3.21Å
466P86Confident87.4Confident83 Ų8340 Ų4054%0.53924%0.236SC..PPolyproline II helixtrans-72.9160.8-172.129.5-35.8000112.6D422D422-P466 WeakPolarHBondContact OD1-CD 3.38Å
467L82.3Confident87Confident33 Ų3341.8 Ų41.817%0.17325%0.248CC..PPolyproline II helixtrans-64.7142.8169.9-71.6169.8000110.3L324 P415 V423L324-L467 HydrophobicContact CB-CD2 3.99Å; P415-L467 HydrophobicContact CB-CD2 3.79Å; P415-L467 HydrophobicContact CG-CD2 3.9Å; V423-L467 HydrophobicContact CG2-CD2 3.63Å; V423-L467 HydrophobicContact CG2-CG 3.81Å
468A78.7Confident86.5Confident27 Ų2739.5 Ų39.522%0.22323%0.233CC..PPolyproline II helixtrans-71.5142.4169.200000109.3N323 L324N323-A468 HydrophobicContact CB-CB 3.98Å; L324-A468 WeakPolarHBondContact O-CB 3.48Å; L324-A468 PolarHBondContact O-N 3.14Å
469P65.6Low85.9Confident188 Ų18841.9 Ų41.9100%1.22125%0.249SC*.  trans-62.80177.826.6-34.5000113.7

Retrieved 469 of 469 residues in 1068.1 ms (Link to these results)

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