A0A061IIZ7_CRIGR Loading...

Nucleoporin Nup43

AlphaFold DB , UniProt , Accession A0A061IIZ7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nup43, Length 380 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
1M45.2Very low82.5Confident236 Ų23686.2 Ų86.2100%1.16344%0.44SS*.  01000-162.1-179.7-69.600102.6E3M1-E3 PolarHBondContact O-N 3.3Å
2E54.9Low83.8Confident84 Ų8483.2 Ų83.239%0.39342%0.421SS..  trans-58120.2-174.2-72.6162.8-157.900108.5I4E2-I4 VanDerWaalsContact C-N 3.35Å; E2-I4 PolarHBondContact O-N 3.45Å
3E72.9Confident85Confident121 Ų12176.9 Ų76.957%0.56539%0.389SS*.  trans-78.291.6179.9-69.9-170.8171.200108.3M1 Y5M1-E3 PolarHBondContact O-N 3.3Å; E3-Y5 HydrophobicContact CB-CE1 3.78Å; E3-Y5 HydrophobicContact CB-CE2 4.06Å; E3-Y5 VanDerWaalsContact CB-CZ 3.47Å; E3-Y5 WeakPolarHBondContact CB-OH 3.36Å; E3-Y5 WeakPolarHBondContact O-CD2 3.48Å; E3-Y5 VanDerWaalsContact O-CE2 3.29Å; E3-Y5 WeakPolarHBondContact O-CE2 3.28Å; E3-Y5 WeakPolarHBondContact OE2-CE1 3.33Å; E3-Y5 PolarHBondContact OE2-OH 2.94Å
4I86.4Confident85.9Confident36 Ų3672.1 Ų72.119%0.18537%0.366CS..  trans-83.4121.3163.5-68.3163.1000107.1E2 L345 L346 Y373 T375E2-I4 VanDerWaalsContact C-N 3.35Å; E2-I4 PolarHBondContact O-N 3.45Å; I4-L345 HydrophobicContact CD1-CB 3.73Å; I4-L345 WeakPolarHBondContact CD1-O 3.23Å; I4-L346 HydrophobicContact CG2-CD2 4.15Å; I4-Y373 HydrophobicContact CG2-CD1 3.96Å; I4-Y373 HydrophobicContact CG2-CG 4.35Å; I4-T375 HydrophobicContact CD1-CG2 4.46Å; I4-T375 HydrophobicContact CG1-CG2 3.8Å
5Y86.6Confident86.8Confident62 Ų6268.8 Ų68.824%0.24335%0.348CS..EExtended strand (participates in β ladder)trans-98.4140.8-179.1-51.3-79.7000110.5E3 Y373 V374E3-Y5 HydrophobicContact CB-CE1 3.78Å; E3-Y5 HydrophobicContact CB-CE2 4.06Å; E3-Y5 VanDerWaalsContact CB-CZ 3.47Å; E3-Y5 WeakPolarHBondContact CB-OH 3.36Å; E3-Y5 WeakPolarHBondContact O-CD2 3.48Å; E3-Y5 VanDerWaalsContact O-CE2 3.29Å; E3-Y5 WeakPolarHBondContact O-CE2 3.28Å; E3-Y5 WeakPolarHBondContact OE2-CE1 3.33Å; E3-Y5 PolarHBondContact OE2-OH 2.94Å; Y5-Y373 CarbonylContact O-C 3.54Å; Y5-Y373 VanDerWaalsContact O-CA 3.24Å; Y5-Y373 WeakPolarHBondContact O-CA 3.2Å; Y5-V374 PolarHBondContact N-O 3.4Å; Y5-V374 PolarHBondContact O-N 2.99Å
6A90.8Very high87.5Confident50 Ų5064.5 Ų64.541%0.41333%0.327SS..EExtended strand (participates in β ladder)trans-106.8135.4176.700000110.4I372 Y373A6-I372 CarbonylContact C-O 3.6Å; A6-I372 WeakPolarHBondContact CA-O 3.46Å; A6-Y373 HydrophobicContact CB-CD1 3.63Å; A6-Y373 HydrophobicContact CB-CE1 3.43Å; A6-Y373 VanDerWaalsContact CB-CE1 3.43Å; A6-Y373 HydrophobicContact CB-CG 4.36Å
7K92.3Very high88.2Confident51 Ų5161.1 Ų61.122%0.22231%0.309CS..EExtended strand (participates in β ladder)trans-122124.2168.9-174171.7-173.8135.70110V9 D64 H65 A371 I372K7-V9 HydrophobicContact CG-CG1 4.19Å; K7-D64 IonicContact NZ-OD1 3.78Å; K7-D64 PolarHBondContact NZ-OD1 3.19Å; K7-H65 HydrophobicContact CD-CB 3.68Å; K7-H65 WeakPolarHBondContact CE-O 3.19Å; K7-H65 PolarHBondContact NZ-O 3.35Å; K7-A371 WeakPolarHBondContact O-CA 3.4Å; K7-I372 PolarHBondContact N-O 3.5Å; K7-I372 PolarHBondContact O-N 3.13Å
8F93.9Very high88.8Confident140 Ų14058 Ų5861%0.61429%0.293SS*.EExtended strand (participates in β ladder)trans-83.4130.8172.8-64.7-85.8000110.1A369 E370 A371F8-A369 WeakPolarHBondContact CD1-O 3.26Å; F8-E370 CarbonylContact C-O 3.59Å; F8-E370 VanDerWaalsContact CA-O 3.31Å; F8-E370 WeakPolarHBondContact CA-O 3.23Å; F8-A371 HydrophobicContact CD1-CB 3.9Å; F8-A371 HydrophobicContact CE1-CB 3.87Å
9V94.7Very high89.2Confident23 Ų2357.7 Ų57.714%0.13929%0.288CS..  trans-124.39.6-171.2-63.50000113.8K7 Q11 I13 W47 E370 I372K7-V9 HydrophobicContact CG-CG1 4.19Å; V9-Q11 PolarHBondContact O-N 2.78Å; V9-Q11 VanDerWaalsContact O-N 3.13Å; V9-I13 HydrophobicContact CG2-CD1 3.75Å; V9-I13 HydrophobicContact CG2-CG1 3.89Å; V9-W47 HydrophobicContact CB-CH2 4.09Å; V9-W47 HydrophobicContact CB-CZ2 4.36Å; V9-W47 HydrophobicContact CG1-CH2 3.57Å; V9-W47 HydrophobicContact CG1-CZ2 4Å; V9-W47 HydrophobicContact CG1-CZ3 4.12Å; V9-E370 PolarHBondContact N-O 3.04Å; V9-I372 HydrophobicContact CB-CD1 4.43Å; V9-I372 HydrophobicContact CG1-CD1 3.68Å; V9-I372 HydrophobicContact CG1-CG1 4.27Å; V9-I372 HydrophobicContact CG2-CD1 3.99Å; V9-I372 HydrophobicContact CG2-CG1 4.09Å
10S94.4Very high89.5Confident95 Ų9557.3 Ų57.366%0.66429%0.29SS*.SBendtrans60.819.9174.2-56.10000115.3E370S10-E370 WeakPolarHBondContact CA-OE2 3.37Å
11Q95.7Very high89.6Confident50 Ų5056.9 Ų56.923%0.23429%0.29CS..SBendtrans-146.5140.5174.9-67.2-176.4-18.200109V9 I13 E41 C43 E370V9-Q11 PolarHBondContact O-N 2.78Å; V9-Q11 VanDerWaalsContact O-N 3.13Å; Q11-I13 HydrophobicContact CB-CD1 4.5Å; Q11-I13 PolarHBondContact O-N 3.01Å; Q11-E41 PolarHBondContact NE2-O 3.4Å; Q11-C43 PolarHBondContact OE1-SG 3.07Å; Q11-E370 VanDerWaalsContact O-CA 3.26Å; Q11-E370 WeakPolarHBondContact O-CA 3.22Å
12K98.1Very high91.6Very high50 Ų5048.5 Ų48.522%0.21725%0.253CS..  trans-66.8132.5170.2-60.4-179.7178.9-178.10109.6S36 W37 D38 N39 E370K12-S36 VanDerWaalsContact O-CA 3.23Å; K12-S36 WeakPolarHBondContact O-CA 3.46Å; K12-S36 WeakPolarHBondContact O-CB 3.42Å; K12-W37 PolarHBondContact O-N 2.96Å; K12-W37 VanDerWaalsContact O-N 3.13Å; K12-D38 HydrophobicContact CD-CB 4.23Å; K12-D38 IonicContact NZ-OD2 2.69Å; K12-D38 PolarHBondContact NZ-OD2 2.67Å; K12-N39 PolarHBondContact N-OD1 2.87Å; K12-E370 HydrophobicContact CG-CG 4.36Å
13I98.6Very high92.8Very high2 Ų250.8 Ų50.81%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-103.6115.5-174.4-56.9-56.4000109.4V9 Q11 K15 T16 T34 N354 T367 I372V9-I13 HydrophobicContact CG2-CD1 3.75Å; V9-I13 HydrophobicContact CG2-CG1 3.89Å; Q11-I13 HydrophobicContact CB-CD1 4.5Å; Q11-I13 PolarHBondContact O-N 3.01Å; I13-K15 WeakPolarHBondContact CG2-O 3.5Å; I13-T16 HydrophobicContact CG2-CG2 3.6Å; I13-T34 HydrophobicContact CG2-CG2 4.34Å; I13-N354 WeakPolarHBondContact O-CB 3.4Å; I13-N354 PolarHBondContact O-ND2 2.9Å; I13-T367 PolarHBondContact N-O 3.06Å; I13-I372 HydrophobicContact CG1-CD1 4.48Å; I13-I372 HydrophobicContact CG1-CG1 3.96Å
14S98.7Very high93Very high9 Ų948.9 Ų48.96%0.06329%0.291CS..EExtended strand (participates in β ladder)trans-87.1-29.617954.90000113.2G35 W37 V77 S355S14-G35 PolarHBondContact N-O 3.31Å; S14-G35 PolarHBondContact OG-O 3.28Å; S14-G35 VanDerWaalsContact OG-O 3.09Å; S14-W37 VanDerWaalsContact CB-CD1 3.5Å; S14-V77 VanDerWaalsContact CB-O 3.3Å; S14-V77 WeakPolarHBondContact CB-O 3.06Å; S14-V77 PolarHBondContact OG-O 2.88Å; S14-S355 VanDerWaalsContact O-CB 3.26Å; S14-S355 WeakPolarHBondContact O-CB 3.41Å
15K98.8Very high93Very high23 Ų2349.4 Ų49.410%0.130%0.298CS..EExtended strand (participates in β ladder)trans-143.4139-174.5-68.4-73161-99.70112I13 T34 G35 M78 D79 L80 E266 S355I13-K15 WeakPolarHBondContact CG2-O 3.5Å; K15-T34 CarbonylContact O-C 3.58Å; K15-T34 WeakPolarHBondContact O-CA 3.45Å; K15-G35 PolarHBondContact N-O 2.84Å; K15-G35 PolarHBondContact O-N 2.96Å; K15-M78 VanDerWaalsContact CE-O 3.25Å; K15-M78 WeakPolarHBondContact CE-O 3.44Å; K15-D79 WeakPolarHBondContact CD-OD1 3.4Å; K15-D79 WeakPolarHBondContact CE-OD1 3.28Å; K15-L80 HydrophobicContact CB-CB 3.6Å; K15-L80 HydrophobicContact CB-CD2 4.37Å; K15-L80 HydrophobicContact CG-CB 4Å; K15-E266 WeakPolarHBondContact CD-OE1 3.44Å; K15-E266 WeakPolarHBondContact CE-OE1 3.35Å; K15-E266 IonicContact NZ-OE1 2.82Å; K15-E266 PolarHBondContact NZ-OE1 2.87Å; K15-S355 WeakPolarHBondContact CA-OG 3.37Å
16T98.7Very high92.8Very high0 Ų055 Ų550%033%0.331CS..EExtended strand (participates in β ladder)trans-134.9130.617257.20000109.9I13 A33 T34 S355 D357 V364I13-T16 HydrophobicContact CG2-CG2 3.6Å; T16-A33 WeakPolarHBondContact CA-O 3.28Å; T16-T34 HydrophobicContact CG2-CG2 3.98Å; T16-S355 PolarHBondContact N-OG 3.07Å; T16-D357 WeakPolarHBondContact O-CB 3.32Å; T16-V364 HydrophobicContact CG2-CG2 4.2Å
17R98.8Very high92.4Very high6 Ų658.9 Ų58.92%0.02334%0.341CS..EExtended strand (participates in β ladder)trans-139.8136178.5-60.5-66.4174.4-114.61.4111.4F32 A33 D79 L80 F82 E266 S355 L356 D357R17-F32 CarbonylContact O-C 3.51Å; R17-F32 WeakPolarHBondContact O-CA 3.42Å; R17-F32 WeakPolarHBondContact O-CB 3.05Å; R17-A33 PolarHBondContact N-O 2.9Å; R17-A33 PolarHBondContact O-N 2.75Å; R17-D79 IonicContact NH2-OD1 2.86Å; R17-L80 VanDerWaalsContact CG-O 3.23Å; R17-L80 WeakPolarHBondContact CG-O 3.26Å; R17-L80 PolarHBondContact NE-O 3.48Å; R17-F82 HydrophobicContact CB-CD2 3.88Å; R17-F82 HydrophobicContact CB-CE2 4.08Å; R17-F82 WeakPolarHBondContact O-CE2 3.26Å; R17-E266 IonicContact CZ-OE1 2.76Å; R17-E266 IonicContact CZ-OE2 3.76Å; R17-E266 IonicContact NH1-OE1 3.33Å; R17-E266 PolarHBondContact NH1-OE1 2.81Å; R17-E266 IonicContact NH1-OE2 3.99Å; R17-E266 PolarHBondContact NH1-OE2 2.8Å; R17-E266 IonicContact NH2-OE1 3.94Å; R17-E266 PolarHBondContact NH2-OE1 3.47Å; R17-E266 IonicContact NH2-OE2 3.34Å; R17-E266 PolarHBondContact NH2-OE2 2.82Å; R17-S355 PolarHBondContact NH1-OG 2.72Å; R17-L356 PolarHBondContact NH1-O 3.28Å; R17-D357 VanDerWaalsContact CA-OD2 3.27Å; R17-D357 WeakPolarHBondContact CA-OD2 3.48Å
18W98.1Very high92.1Very high6 Ų659.1 Ų59.12%0.02335%0.347CS..EExtended strand (participates in β ladder)trans-71.5139.7170.3-72.8110.5000110.8P20 A29 F32 I49 F82 D357 L359 C362 V364 V374W18-P20 WeakPolarHBondContact O-CD 3.35Å; W18-A29 HydrophobicContact CB-CB 4.37Å; W18-A29 HydrophobicContact CD2-CB 3.77Å; W18-A29 HydrophobicContact CE3-CB 3.49Å; W18-A29 VanDerWaalsContact CE3-CB 3.49Å; W18-A29 HydrophobicContact CG-CB 4.15Å; W18-A29 HydrophobicContact CZ3-CB 4.05Å; W18-F32 HydrophobicContact CD2-CB 4.17Å; W18-F32 HydrophobicContact CE3-CB 3.71Å; W18-F32 HydrophobicContact CE3-CD1 4.26Å; W18-F32 HydrophobicContact CE3-CG 4.44Å; W18-F32 HydrophobicContact CH2-CD1 4.04Å; W18-F32 HydrophobicContact CZ3-CB 4.05Å; W18-F32 AromaticContact CZ3-CD1 3.69Å; W18-F32 HydrophobicContact CZ3-CD1 3.69Å; W18-F32 HydrophobicContact CZ3-CG 4.31Å; W18-I49 HydrophobicContact CH2-CD1 3.31Å; W18-I49 HydrophobicContact CZ3-CD1 3.63Å; W18-F82 WeakPolarHBondContact O-CD2 3.22Å; W18-F82 WeakPolarHBondContact O-CE2 3.49Å; W18-D357 PolarHBondContact N-OD2 2.73Å; W18-D357 PolarHBondContact NE1-O 3.42Å; W18-L359 HydrophobicContact CB-CB 4.02Å; W18-L359 HydrophobicContact CB-CD2 3.94Å; W18-L359 HydrophobicContact CG-CB 4Å; W18-C362 HydrophobicContact CH2-CB 4.18Å; W18-C362 HydrophobicContact CZ2-CB 3.64Å; W18-C362 PolarHBondContact NE1-O 3.48Å; W18-V364 HydrophobicContact CD2-CG1 4.25Å; W18-V364 HydrophobicContact CG-CG1 4.37Å; W18-V364 HydrophobicContact CZ2-CB 3.79Å; W18-V364 HydrophobicContact CZ2-CG1 4.17Å; W18-V374 HydrophobicContact CH2-CG1 4.09Å; W18-V374 HydrophobicContact CZ2-CG1 4.29Å
19R97.5Very high91.9Very high52 Ų5252.6 Ų52.620%0.19632%0.318CS..PPolyproline II helixtrans-66128.7166.9-176.4172.363-168.9-0.2108.4V21 E30 T31 F82 Q85R19-V21 PolarHBondContact O-N 2.9Å; R19-E30 IonicContact NH2-OE1 3.45Å; R19-T31 HydrophobicContact CB-CG2 4.28Å; R19-T31 VanDerWaalsContact CB-O 3.31Å; R19-T31 WeakPolarHBondContact CB-O 3.49Å; R19-T31 VanDerWaalsContact CZ-CB 3.49Å; R19-T31 PolarHBondContact N-O 2.96Å; R19-T31 PolarHBondContact NH2-OG1 3.13Å; R19-F82 HydrophobicContact CB-CE1 3.93Å; R19-F82 HydrophobicContact CB-CE2 4.19Å; R19-F82 HydrophobicContact CB-CZ 3.7Å; R19-F82 HydrophobicContact CG-CD1 4.38Å; R19-F82 HydrophobicContact CG-CE1 3.87Å; R19-F82 HydrophobicContact CG-CZ 4.18Å; R19-Q85 VanDerWaalsContact CD-O 3.27Å; R19-Q85 WeakPolarHBondContact CD-O 3.44Å
20P95.1Very high91.7Very high50 Ų5054.6 Ų54.633%0.32533%0.326SS..PPolyproline II helixtrans-56.6138176.2-25.633.9000111.6W18 F82W18-P20 WeakPolarHBondContact O-CD 3.35Å; P20-F82 HydrophobicContact CG-CB 3.89Å; P20-F82 HydrophobicContact CG-CG 4.42Å
21V91.6Very high91.8Very high49 Ų4950.2 Ų50.230%0.29730%0.295SS..PPolyproline II helixtrans-83137.5177.3177.90000109.4R19 S23 S25 A29 L359R19-V21 PolarHBondContact O-N 2.9Å; V21-S23 PolarHBondContact O-N 3Å; V21-S25 VanDerWaalsContact CG1-CB 3.44Å; V21-A29 HydrophobicContact CG2-CB 4.35Å; V21-L359 HydrophobicContact CG2-CD2 4.07Å
22P87.4Confident91.9Very high60 Ų6047.8 Ų47.839%0.3928%0.284SS..PPolyproline II helixtrans-53.9139.3175.8-19.623.7000112.9G24 S25P22-G24 PolarHBondContact O-N 3.18Å; P22-S25 WeakPolarHBondContact O-CB 3.49Å; P22-S25 PolarHBondContact O-N 3.18Å
23S79.4Confident91.9Very high132 Ų13245.4 Ų45.492%0.92327%0.274SS*.THydrogen-bonded Turntrans-54.1122.1176.9-57.40000111.6V21V21-S23 PolarHBondContact O-N 3Å
24G78.2Confident91.9Very high81 Ų8145.4 Ų45.484%0.83527%0.274SS*.THydrogen-bonded Turntrans88.61.6179.700000115.1P22P22-G24 PolarHBondContact O-N 3.18Å
25S85.1Confident91.9Very high46 Ų4645 Ų4532%0.32227%0.271SS..  trans-67.9141.2167.7-170.90000110.8V21 P22 Q27V21-S25 VanDerWaalsContact CG1-CB 3.44Å; P22-S25 WeakPolarHBondContact O-CB 3.49Å; P22-S25 PolarHBondContact O-N 3.18Å; S25-Q27 PolarHBondContact OG-N 3.29Å; S25-Q27 VanDerWaalsContact OG-N 3.17Å
26L82.9Confident91.9Very high179 Ų17944 Ų4494%0.93727%0.266SS*.  trans-91.7-4.7171.3-64.1173.5000112.1
27Q82.8Confident91.9Very high133 Ų13348 Ų4862%0.62128%0.282SS*.PPolyproline II helixtrans-80.1145.6-179.9-66.3177.1-45.300110.8S25S25-Q27 PolarHBondContact OG-N 3.29Å; S25-Q27 VanDerWaalsContact OG-N 3.17Å
28T86Confident91.9Very high56 Ų5652.3 Ų52.334%0.34431%0.305SS..PPolyproline II helixtrans-79.2165.6170.557.50000110.4E30 P361 R376T28-E30 PolarHBondContact O-N 3.22Å; T28-P361 HydrophobicContact CG2-CG 3.62Å; T28-R376 PolarHBondContact OG1-NH2 3.24Å; T28-R376 VanDerWaalsContact OG1-NH2 3.08Å
29A88.9Confident91.6Very high3 Ų354 Ų543%0.02531%0.314CS..PPolyproline II helixtrans-60.6135.7177.400000111.2W18 V21 L359 C362 R376W18-A29 HydrophobicContact CB-CB 4.37Å; W18-A29 HydrophobicContact CD2-CB 3.77Å; W18-A29 HydrophobicContact CE3-CB 3.49Å; W18-A29 VanDerWaalsContact CE3-CB 3.49Å; W18-A29 HydrophobicContact CG-CB 4.15Å; W18-A29 HydrophobicContact CZ3-CB 4.05Å; V21-A29 HydrophobicContact CG2-CB 4.35Å; A29-L359 HydrophobicContact CB-CB 4.34Å; A29-L359 HydrophobicContact CB-CD2 3.97Å; A29-L359 HydrophobicContact CB-CG 4.33Å; A29-C362 HydrophobicContact CB-CB 4.25Å; A29-R376 PolarHBondContact O-NE 2.94Å
30E91.6Very high91.2Very high64 Ų6461 Ų6130%0.29935%0.349SS..  trans-127.7-18.8-178.767.5-177.7172.300112.8R19 T28 S48 I49R19-E30 IonicContact NH2-OE1 3.45Å; T28-E30 PolarHBondContact O-N 3.22Å; E30-S48 CarbonylContact O-C 3.5Å; E30-S48 WeakPolarHBondContact O-CA 3.41Å; E30-I49 PolarHBondContact O-N 3.4Å
31T95.7Very high91.2Very high3 Ų363.8 Ų63.82%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-124136.4-176.1-59.70000109.7R19 L46 W47 L68R19-T31 HydrophobicContact CB-CG2 4.28Å; R19-T31 VanDerWaalsContact CB-O 3.31Å; R19-T31 WeakPolarHBondContact CB-O 3.49Å; R19-T31 VanDerWaalsContact CZ-CB 3.49Å; R19-T31 PolarHBondContact N-O 2.96Å; R19-T31 PolarHBondContact NH2-OG1 3.13Å; T31-L46 HydrophobicContact CG2-CD2 4.07Å; T31-W47 CarbonylContact C-O 3.49Å; T31-W47 WeakPolarHBondContact CA-O 3.5Å; T31-W47 VanDerWaalsContact CG2-O 3.25Å; T31-W47 WeakPolarHBondContact CG2-O 3.04Å; T31-L68 HydrophobicContact CG2-CD1 4Å
32F97.9Very high91.5Very high0 Ų061.9 Ų61.90%035%0.346CS..EExtended strand (participates in β ladder)trans-138.4155.9176.863-89.5000110.7R17 W18 T34 W47 I49 H65 V364 I372 V374R17-F32 CarbonylContact O-C 3.51Å; R17-F32 WeakPolarHBondContact O-CA 3.42Å; R17-F32 WeakPolarHBondContact O-CB 3.05Å; W18-F32 HydrophobicContact CD2-CB 4.17Å; W18-F32 HydrophobicContact CE3-CB 3.71Å; W18-F32 HydrophobicContact CE3-CD1 4.26Å; W18-F32 HydrophobicContact CE3-CG 4.44Å; W18-F32 HydrophobicContact CH2-CD1 4.04Å; W18-F32 HydrophobicContact CZ3-CB 4.05Å; W18-F32 AromaticContact CZ3-CD1 3.69Å; W18-F32 HydrophobicContact CZ3-CD1 3.69Å; W18-F32 HydrophobicContact CZ3-CG 4.31Å; F32-T34 HydrophobicContact CD2-CG2 3.82Å; F32-T34 HydrophobicContact CE2-CG2 3.7Å; F32-W47 HydrophobicContact CD1-CB 4.23Å; F32-W47 HydrophobicContact CD2-CB 4.17Å; F32-W47 AromaticContact CD2-CD1 3.91Å; F32-W47 HydrophobicContact CD2-CG 4.3Å; F32-W47 HydrophobicContact CE1-CB 3.77Å; F32-W47 HydrophobicContact CE2-CB 3.7Å; F32-W47 AromaticContact CE2-CD1 3.51Å; F32-W47 AromaticContact CE2-CG 3.66Å; F32-W47 HydrophobicContact CE2-CG 3.66Å; F32-W47 HydrophobicContact CG-CB 4.41Å; F32-W47 HydrophobicContact CZ-CB 3.48Å; F32-W47 VanDerWaalsContact CZ-CB 3.48Å; F32-W47 AromaticContact CZ-CG 3.82Å; F32-W47 HydrophobicContact CZ-CG 3.82Å; F32-W47 PolarHBondContact N-O 2.89Å; F32-W47 PolarHBondContact O-N 2.76Å; F32-I49 HydrophobicContact CD1-CD1 3.98Å; F32-I49 HydrophobicContact CD1-CG1 4.34Å; F32-I49 HydrophobicContact CE1-CD1 3.81Å; F32-I49 HydrophobicContact CE1-CG1 3.83Å; F32-H65 HydrophobicContact CZ-CB 4.48Å; F32-V364 HydrophobicContact CB-CG1 4.49Å; F32-V364 HydrophobicContact CD2-CG2 3.94Å; F32-V364 HydrophobicContact CE2-CG2 4.02Å; F32-V364 HydrophobicContact CG-CG2 4.23Å; F32-V364 HydrophobicContact CZ-CG2 4.37Å; F32-I372 HydrophobicContact CE2-CD1 4.19Å; F32-I372 HydrophobicContact CE2-CG2 3.95Å; F32-I372 HydrophobicContact CZ-CG2 4.02Å; F32-V374 HydrophobicContact CE1-CG2 4.14Å; F32-V374 HydrophobicContact CZ-CG2 4.26Å
33A98.7Very high92Very high0 Ų059.6 Ų59.60%033%0.332CS..EExtended strand (participates in β ladder)trans-103.6149.8173.200000110.6T16 R17 S45 L46 L80 F82 I88T16-A33 WeakPolarHBondContact CA-O 3.28Å; R17-A33 PolarHBondContact N-O 2.9Å; R17-A33 PolarHBondContact O-N 2.75Å; A33-S45 CarbonylContact C-O 3.54Å; A33-S45 WeakPolarHBondContact CA-O 3.43Å; A33-L46 HydrophobicContact CB-CD2 3.83Å; A33-L80 HydrophobicContact CB-CD2 4.04Å; A33-F82 HydrophobicContact CB-CE2 3.65Å; A33-F82 HydrophobicContact CB-CZ 3.7Å; A33-I88 HydrophobicContact CB-CD1 3.93Å
34T98.8Very high92.9Very high2 Ų253.3 Ų53.31%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-128.4148.4171.263.10000111.6I13 K15 T16 F32 V44 S45 W47 I372I13-T34 HydrophobicContact CG2-CG2 4.34Å; K15-T34 CarbonylContact O-C 3.58Å; K15-T34 WeakPolarHBondContact O-CA 3.45Å; T16-T34 HydrophobicContact CG2-CG2 3.98Å; F32-T34 HydrophobicContact CD2-CG2 3.82Å; F32-T34 HydrophobicContact CE2-CG2 3.7Å; T34-V44 WeakPolarHBondContact O-CA 3.43Å; T34-S45 PolarHBondContact N-O 3.48Å; T34-S45 PolarHBondContact O-N 3.47Å; T34-W47 PolarHBondContact OG1-NE1 3.49Å; T34-I372 HydrophobicContact CG2-CD1 3.82Å
35G98.8Very high93.9Very high0 Ų049.6 Ų49.60%025%0.249CC..EExtended strand (participates in β ladder)trans-117.5140.1167.100000110.2S14 K15S14-G35 PolarHBondContact N-O 3.31Å; S14-G35 PolarHBondContact OG-O 3.28Å; S14-G35 VanDerWaalsContact OG-O 3.09Å; K15-G35 PolarHBondContact N-O 2.84Å; K15-G35 PolarHBondContact O-N 2.96Å
36S98.7Very high94.5Very high1 Ų147.5 Ų47.51%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-103.8159.6177.976.90000112.6K12 N42 C43 V77K12-S36 VanDerWaalsContact O-CA 3.23Å; K12-S36 WeakPolarHBondContact O-CA 3.46Å; K12-S36 WeakPolarHBondContact O-CB 3.42Å; S36-N42 PolarHBondContact O-OD1 3.49Å; S36-N42 WeakPolarHBondContact OG-CA 3.42Å; S36-N42 WeakPolarHBondContact OG-CB 3.35Å; S36-N42 PolarHBondContact OG-OD1 2.96Å; S36-N42 VanDerWaalsContact OG-OD1 3.12Å; S36-C43 PolarHBondContact N-O 2.95Å; S36-C43 VanDerWaalsContact N-O 3.16Å; S36-C43 PolarHBondContact OG-N 3.23Å; S36-V77 WeakPolarHBondContact O-CB 3.12Å; S36-V77 PolarHBondContact O-N 2.78Å; S36-V77 VanDerWaalsContact O-N 3.15Å
37W98.6Very high95.2Very high86 Ų8640 Ų4033%0.32619%0.194SC..  trans-147.9159.3177.978.2-62.2000112.4K12 S14 N39 N42 D76 N354 D368K12-W37 PolarHBondContact O-N 2.96Å; K12-W37 VanDerWaalsContact O-N 3.13Å; S14-W37 VanDerWaalsContact CB-CD1 3.5Å; W37-N39 VanDerWaalsContact C-ND2 3.33Å; W37-N39 PolarHBondContact N-ND2 3Å; W37-N39 PolarHBondContact O-N 2.87Å; W37-N39 PolarHBondContact O-ND2 3.35Å; W37-N42 VanDerWaalsContact CA-OD1 3.25Å; W37-N42 WeakPolarHBondContact CA-OD1 3.35Å; W37-N42 PolarHBondContact N-OD1 2.9Å; W37-D76 HydrophobicContact CB-CB 4.02Å; W37-N354 PolarHBondContact NE1-ND2 3.12Å; W37-D368 VanDerWaalsContact CZ2-OD1 3.26Å; W37-D368 WeakPolarHBondContact CZ2-OD1 3.17Å; W37-D368 PolarHBondContact NE1-OD1 3.4Å
38D97.1Very high95.7Very high96 Ų9634.8 Ų34.851%0.51317%0.172SC..SBendtrans57.535.5178.5-168.442000112.8K12 D76K12-D38 HydrophobicContact CD-CB 4.23Å; K12-D38 IonicContact NZ-OD2 2.69Å; K12-D38 PolarHBondContact NZ-OD2 2.67Å; D38-D76 PolarHBondContact N-OD1 3.33Å
39N92.4Very high95.8Very high40 Ų4032.4 Ų32.421%0.21416%0.157CC..SBendtrans-118.7158.2173-50.1-84.4000110.5K12 W37 E41 N42K12-N39 PolarHBondContact N-OD1 2.87Å; W37-N39 VanDerWaalsContact C-ND2 3.33Å; W37-N39 PolarHBondContact N-ND2 3Å; W37-N39 PolarHBondContact O-N 2.87Å; W37-N39 PolarHBondContact O-ND2 3.35Å; N39-E41 VanDerWaalsContact C-N 3.25Å; N39-E41 PolarHBondContact O-N 2.84Å; N39-N42 WeakPolarHBondContact CB-OD1 3.33Å; N39-N42 PolarHBondContact N-OD1 2.55Å; N39-N42 PolarHBondContact ND2-OD1 2.7Å
40E89.6Confident95Very high199 Ų19934.5 Ų34.593%0.9318%0.178SC*.SBendtrans-58.9-39174-64.7-174.2171.900112.1
41E94.3Very high93.7Very high109 Ų10936.6 Ų36.651%0.50919%0.192SC..SBendtrans-131.3103.3174.9-57-159.3148.700109.8Q11 N39 R72Q11-E41 PolarHBondContact NE2-O 3.4Å; N39-E41 VanDerWaalsContact C-N 3.25Å; N39-E41 PolarHBondContact O-N 2.84Å; E41-R72 IonicContact OE1-CZ 3.04Å; E41-R72 IonicContact OE1-NH1 2.72Å; E41-R72 PolarHBondContact OE1-NH1 2.93Å; E41-R72 IonicContact OE1-NH2 2.86Å; E41-R72 PolarHBondContact OE1-NH2 2.76Å; E41-R72 IonicContact OE2-NH1 2.7Å
42N98.1Very high91.5Very high9 Ų940.6 Ų40.65%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-78.4153.3174.3-67.1-46.7000111.7S36 W37 N39 H73 G75 D76S36-N42 PolarHBondContact O-OD1 3.49Å; S36-N42 WeakPolarHBondContact OG-CA 3.42Å; S36-N42 WeakPolarHBondContact OG-CB 3.35Å; S36-N42 PolarHBondContact OG-OD1 2.96Å; S36-N42 VanDerWaalsContact OG-OD1 3.12Å; W37-N42 VanDerWaalsContact CA-OD1 3.25Å; W37-N42 WeakPolarHBondContact CA-OD1 3.35Å; W37-N42 PolarHBondContact N-OD1 2.9Å; N39-N42 WeakPolarHBondContact CB-OD1 3.33Å; N39-N42 PolarHBondContact N-OD1 2.55Å; N39-N42 PolarHBondContact ND2-OD1 2.7Å; N42-H73 PolarHBondContact O-N 3.17Å; N42-G75 WeakPolarHBondContact CB-O 3.43Å; N42-G75 PolarHBondContact ND2-O 3.05Å; N42-G75 VanDerWaalsContact ND2-O 3.12Å; N42-D76 WeakPolarHBondContact ND2-CA 3.31Å; N42-D76 PolarHBondContact ND2-OD1 3.13Å
43C98.2Very high89Confident12 Ų1243.9 Ų43.98%0.08124%0.243CC..EExtended strand (participates in β ladder)trans-139.4162.6177.266.20000112.9Q11 S36 S45 I71Q11-C43 PolarHBondContact OE1-SG 3.07Å; S36-C43 PolarHBondContact N-O 2.95Å; S36-C43 VanDerWaalsContact N-O 3.16Å; S36-C43 PolarHBondContact OG-N 3.23Å; C43-S45 PolarHBondContact SG-OG 3.07Å; C43-I71 VanDerWaalsContact CA-O 3.29Å; C43-I71 WeakPolarHBondContact CA-O 3.43Å; C43-I71 WeakPolarHBondContact CB-O 3.25Å
44V98.7Very high86.2Confident0 Ų050.6 Ų50.60%028%0.279CS..EExtended strand (participates in β ladder)trans-106.6124.2159.8175.40000107T34 D70 I71 H73 V77 L80 A90 F100 L109T34-V44 WeakPolarHBondContact O-CA 3.43Å; V44-D70 CarbonylContact O-C 3.6Å; V44-D70 VanDerWaalsContact O-CA 3.26Å; V44-D70 WeakPolarHBondContact O-CA 3.39Å; V44-I71 HydrophobicContact CB-CG2 4.13Å; V44-I71 PolarHBondContact N-O 3.43Å; V44-I71 PolarHBondContact O-N 3.01Å; V44-H73 HydrophobicContact CG2-CB 4.41Å; V44-V77 HydrophobicContact CG2-CG2 4.1Å; V44-L80 HydrophobicContact CG1-CD1 4.29Å; V44-L80 HydrophobicContact CG2-CD1 4.19Å; V44-A90 HydrophobicContact CG2-CB 4.39Å; V44-F100 HydrophobicContact CB-CE2 4.39Å; V44-F100 HydrophobicContact CG2-CD2 4.32Å; V44-F100 HydrophobicContact CG2-CE2 3.79Å; V44-F100 HydrophobicContact CG2-CZ 4.39Å; V44-L109 HydrophobicContact CG1-CD1 4.43Å
45S98.6Very high83.6Confident4 Ų458 Ų583%0.02832%0.318CS..EExtended strand (participates in β ladder)trans-122.4146.7-175.8-600000111A33 T34 C43 C69 D70A33-S45 CarbonylContact C-O 3.54Å; A33-S45 WeakPolarHBondContact CA-O 3.43Å; T34-S45 PolarHBondContact N-O 3.48Å; T34-S45 PolarHBondContact O-N 3.47Å; C43-S45 PolarHBondContact SG-OG 3.07Å; S45-C69 WeakPolarHBondContact CA-O 3.5Å; S45-D70 WeakPolarHBondContact OG-CB 3.27Å
46L98.3Very high80.8Confident1 Ų163.7 Ų63.71%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-112.6135171-85.8171.4000109.9T31 A33 L68 C69 F82 I88 H102 L109T31-L46 HydrophobicContact CG2-CD2 4.07Å; A33-L46 HydrophobicContact CB-CD2 3.83Å; L46-L68 HydrophobicContact CB-CB 4.3Å; L46-L68 WeakPolarHBondContact O-CB 3.48Å; L46-L68 PolarHBondContact O-N 3.23Å; L46-C69 PolarHBondContact N-O 3.27Å; L46-C69 PolarHBondContact O-N 3.3Å; L46-F82 HydrophobicContact CD2-CE1 4.46Å; L46-F82 HydrophobicContact CD2-CZ 3.9Å; L46-I88 HydrophobicContact CD1-CD1 4.17Å; L46-I88 HydrophobicContact CD2-CD1 4.02Å; L46-I88 HydrophobicContact CG-CD1 4.08Å; L46-H102 HydrophobicContact CD1-CB 3.8Å; L46-H102 WeakPolarHBondContact CD1-CD2 3.48Å; L46-H102 VanDerWaalsContact CD1-CG 3.44Å; L46-L109 HydrophobicContact CD1-CD1 4.33Å; L46-L109 HydrophobicContact CD1-CD2 3.94Å; L46-L109 HydrophobicContact CD1-CG 4.27Å; L46-L109 HydrophobicContact CG-CD1 4.42Å
47W97.1Very high78.5Confident22 Ų2270.2 Ų70.28%0.08339%0.393CS..EExtended strand (participates in β ladder)trans-126.8146.2-175.6-52.984000110.2V9 T31 F32 T34 Q66 L67 I372V9-W47 HydrophobicContact CB-CH2 4.09Å; V9-W47 HydrophobicContact CB-CZ2 4.36Å; V9-W47 HydrophobicContact CG1-CH2 3.57Å; V9-W47 HydrophobicContact CG1-CZ2 4Å; V9-W47 HydrophobicContact CG1-CZ3 4.12Å; T31-W47 CarbonylContact C-O 3.49Å; T31-W47 WeakPolarHBondContact CA-O 3.5Å; T31-W47 VanDerWaalsContact CG2-O 3.25Å; T31-W47 WeakPolarHBondContact CG2-O 3.04Å; F32-W47 HydrophobicContact CD1-CB 4.23Å; F32-W47 HydrophobicContact CD2-CB 4.17Å; F32-W47 AromaticContact CD2-CD1 3.91Å; F32-W47 HydrophobicContact CD2-CG 4.3Å; F32-W47 HydrophobicContact CE1-CB 3.77Å; F32-W47 HydrophobicContact CE2-CB 3.7Å; F32-W47 AromaticContact CE2-CD1 3.51Å; F32-W47 AromaticContact CE2-CG 3.66Å; F32-W47 HydrophobicContact CE2-CG 3.66Å; F32-W47 HydrophobicContact CG-CB 4.41Å; F32-W47 HydrophobicContact CZ-CB 3.48Å; F32-W47 VanDerWaalsContact CZ-CB 3.48Å; F32-W47 AromaticContact CZ-CG 3.82Å; F32-W47 HydrophobicContact CZ-CG 3.82Å; F32-W47 PolarHBondContact N-O 2.89Å; F32-W47 PolarHBondContact O-N 2.76Å; T34-W47 PolarHBondContact OG1-NE1 3.49Å; W47-Q66 CarbonylContact C-O 3.6Å; W47-Q66 VanDerWaalsContact CA-O 3.26Å; W47-Q66 WeakPolarHBondContact CA-O 3.41Å; W47-L67 HydrophobicContact CD2-CD1 4.08Å; W47-L67 HydrophobicContact CE3-CB 3.88Å; W47-L67 HydrophobicContact CE3-CD1 4.17Å; W47-L67 HydrophobicContact CH2-CB 4.25Å; W47-L67 HydrophobicContact CH2-CD1 4Å; W47-L67 HydrophobicContact CZ2-CD1 3.9Å; W47-L67 HydrophobicContact CZ3-CB 3.7Å; W47-L67 HydrophobicContact CZ3-CD1 4.13Å; W47-L67 HydrophobicContact CZ3-CG 4.45Å; W47-I372 HydrophobicContact CZ2-CD1 4.31Å
48S93.5Very high76Confident24 Ų2473.5 Ų73.517%0.16842%0.417CS..EExtended strand (participates in β ladder)trans-118.2145.8170.3-163.20000110.2E30 H65 Q66E30-S48 CarbonylContact O-C 3.5Å; E30-S48 WeakPolarHBondContact O-CA 3.41Å; S48-H65 CarbonylContact O-C 3.56Å; S48-H65 WeakPolarHBondContact O-CA 3.3Å; S48-Q66 PolarHBondContact N-O 2.82Å; S48-Q66 PolarHBondContact O-N 3.28Å
49I89Confident73.5Confident6 Ų671.5 Ų71.53%0.03142%0.42CS..EExtended strand (participates in β ladder)trans-104.6123.4174-58.1154.3000107.2W18 E30 F32 V374W18-I49 HydrophobicContact CH2-CD1 3.31Å; W18-I49 HydrophobicContact CZ3-CD1 3.63Å; E30-I49 PolarHBondContact O-N 3.4Å; F32-I49 HydrophobicContact CD1-CD1 3.98Å; F32-I49 HydrophobicContact CD1-CG1 4.34Å; F32-I49 HydrophobicContact CE1-CD1 3.81Å; F32-I49 HydrophobicContact CE1-CG1 3.83Å; I49-V374 HydrophobicContact CD1-CG1 3.63Å
50G71.3Confident71.3Confident46 Ų4671.4 Ų71.447%0.47443%0.428SS..  trans-61.4150.5176.300000112.2
51D63.6Low69.4Low108 Ų10870.9 Ų70.958%0.57842%0.423SS*.  trans-67.3142172.8-80.4-30.5000111.3G53 R376D51-G53 VanDerWaalsContact C-N 3.3Å; D51-G53 PolarHBondContact O-N 3.12Å; D51-R376 IonicContact OD1-NH1 2.85Å
52F51.2Low67.3Low88 Ų8872.2 Ų72.239%0.38643%0.43SS..THydrogen-bonded Turntrans-6089.2169.7-67.7-86.2000109.4E62 R376F52-E62 HydrophobicContact CD1-CG 3.95Å; F52-E62 HydrophobicContact CE1-CG 4.18Å; F52-R376 HydrophobicContact CE2-CB 4.42Å
53G43.5Very low65.4Low69 Ų6972.7 Ų72.771%0.71144%0.437SS*.THydrogen-bonded Turntrans150.3-13.6173.200000117.8D51 L55D51-G53 VanDerWaalsContact C-N 3.3Å; D51-G53 PolarHBondContact O-N 3.12Å; G53-L55 PolarHBondContact O-N 3.25Å
54N41.1Very low64.3Low141 Ų14176.2 Ų76.275%0.75446%0.455SS*.  trans-9692.7171.7-97-6.1000109.9D56N54-D56 PolarHBondContact O-N 2.67Å
55L43.2Very low63.6Low157 Ų15776.3 Ų76.382%0.82246%0.455SS*.  trans-62.593.3155.5-83.1142.3000107G53 S57G53-L55 PolarHBondContact O-N 3.25Å; L55-S57 PolarHBondContact O-N 3.48Å
56D40.3Very low63.2Low119 Ų11982.4 Ų82.464%0.63648%0.483SS*.  trans-55.4141.2160.5-87.9-19.6000107.9N54 D58 G59N54-D56 PolarHBondContact O-N 2.67Å; D56-D58 PolarHBondContact O-N 3.18Å; D56-G59 PolarHBondContact O-N 3.14Å
57S50.5Low63Low138 Ų13885.7 Ų85.797%0.96550%0.5SS*.THydrogen-bonded Turntrans-604.1-178.948.20000114.7L55L55-S57 PolarHBondContact O-N 3.48Å
58D46.2Very low63Low155 Ų15586.7 Ų86.783%0.82951%0.507SS*.THydrogen-bonded Turntrans-104.38-175.7-146.223.8000114D56 G60D56-D58 PolarHBondContact O-N 3.18Å; D58-G60 VanDerWaalsContact C-N 3.35Å; D58-G60 PolarHBondContact O-N 2.84Å
59G45Very low63.2Low55 Ų5586.1 Ų86.157%0.56750%0.503SS*.  trans73.123.3171.800000114.9D56D56-G59 PolarHBondContact O-N 3.14Å
60G45.2Very low63.6Low38 Ų3890 Ų9039%0.39252%0.524SS..PPolyproline II helixtrans-62.5135.1170.400000111.4D58D58-G60 VanDerWaalsContact C-N 3.35Å; D58-G60 PolarHBondContact O-N 2.84Å
61F49.6Very low64.9Low187 Ų18789.5 Ų89.582%0.8251%0.51SS*.PPolyproline II helixtrans-78155.4177.4-73.3-88000111.2G63 D64F61-G63 PolarHBondContact O-N 3.41Å; F61-D64 WeakPolarHBondContact O-CB 3.39Å; F61-D64 PolarHBondContact O-N 3.07Å
62E51.7Low66.6Low138 Ų13891.6 Ų91.665%0.64551%0.51SS*.THydrogen-bonded Turntrans-52130173.4-165.8167-165.300110.9F52F52-E62 HydrophobicContact CD1-CG 3.95Å; F52-E62 HydrophobicContact CE1-CG 4.18Å
63G58.8Low68.8Low19 Ų1987.9 Ų87.920%0.19649%0.493CS..THydrogen-bonded Turntrans8213.5-177.100000115.9F61 H65F61-G63 PolarHBondContact O-N 3.41Å; G63-H65 PolarHBondContact O-CD2 2.64Å; G63-H65 PolarHBondContact O-N 3.29Å; G63-H65 PolarHBondContact O-NE2 2.73Å
64D73.4Confident71.4Confident85 Ų8591.8 Ų91.846%0.45549%0.493SS..  trans-68.4120.2178.2-162.811.1000112.2K7 F61K7-D64 IonicContact NZ-OD1 3.78Å; K7-D64 PolarHBondContact NZ-OD1 3.19Å; F61-D64 WeakPolarHBondContact O-CB 3.39Å; F61-D64 PolarHBondContact O-N 3.07Å
65H83.8Confident74.1Confident3 Ų386 Ų861%0.01447%0.467CS..EExtended strand (participates in β ladder)trans-84.7113.4-179.7-43.6153.9000110.5K7 F32 S48 G63 V374K7-H65 HydrophobicContact CD-CB 3.68Å; K7-H65 WeakPolarHBondContact CE-O 3.19Å; K7-H65 PolarHBondContact NZ-O 3.35Å; F32-H65 HydrophobicContact CZ-CB 4.48Å; S48-H65 CarbonylContact O-C 3.56Å; S48-H65 WeakPolarHBondContact O-CA 3.3Å; G63-H65 PolarHBondContact O-CD2 2.64Å; G63-H65 PolarHBondContact O-N 3.29Å; G63-H65 PolarHBondContact O-NE2 2.73Å; H65-V374 WeakPolarHBondContact CE1-CG2 3.25Å
66Q91.1Very high76.7Confident132 Ų13280.7 Ų80.762%0.61744%0.439SS*.EExtended strand (participates in β ladder)trans-84.5128.3179.2-169.8177.419.700111.2W47 S48 L68W47-Q66 CarbonylContact C-O 3.6Å; W47-Q66 VanDerWaalsContact CA-O 3.26Å; W47-Q66 WeakPolarHBondContact CA-O 3.41Å; S48-Q66 PolarHBondContact N-O 2.82Å; S48-Q66 PolarHBondContact O-N 3.28Å; Q66-L68 PolarHBondContact O-N 2.75Å
67L95Very high79.5Confident70 Ų7075 Ų7537%0.36641%0.409SS..EExtended strand (participates in β ladder)trans-67.5117.5167.5-179.666.6000108.7W47W47-L67 HydrophobicContact CD2-CD1 4.08Å; W47-L67 HydrophobicContact CE3-CB 3.88Å; W47-L67 HydrophobicContact CE3-CD1 4.17Å; W47-L67 HydrophobicContact CH2-CB 4.25Å; W47-L67 HydrophobicContact CH2-CD1 4Å; W47-L67 HydrophobicContact CZ2-CD1 3.9Å; W47-L67 HydrophobicContact CZ3-CB 3.7Å; W47-L67 HydrophobicContact CZ3-CD1 4.13Å; W47-L67 HydrophobicContact CZ3-CG 4.45Å
68L95.8Very high81.8Confident42 Ų4271.4 Ų71.422%0.2238%0.378CS..EExtended strand (participates in β ladder)trans-79.9-50.7175.6-65.3178.8000110.6T31 L46 Q66T31-L68 HydrophobicContact CG2-CD1 4Å; L46-L68 HydrophobicContact CB-CB 4.3Å; L46-L68 WeakPolarHBondContact O-CB 3.48Å; L46-L68 PolarHBondContact O-N 3.23Å; Q66-L68 PolarHBondContact O-N 2.75Å
69C97.6Very high84.3Confident13 Ų1364.9 Ų64.99%0.08834%0.343CS..EExtended strand (participates in β ladder)trans-168.1160.7179.557.10000111.3S45 L46 Q107S45-C69 WeakPolarHBondContact CA-O 3.5Å; L46-C69 PolarHBondContact N-O 3.27Å; L46-C69 PolarHBondContact O-N 3.3Å; C69-Q107 WeakPolarHBondContact CB-O 3.31Å
70D98.2Very high86.9Confident88 Ų8862.3 Ų62.347%0.47132%0.316SS..EExtended strand (participates in β ladder)trans-136.8167.7171.660.442.5000111.6V44 S45V44-D70 CarbonylContact O-C 3.6Å; V44-D70 VanDerWaalsContact O-CA 3.26Å; V44-D70 WeakPolarHBondContact O-CA 3.39Å; S45-D70 WeakPolarHBondContact OG-CB 3.27Å
71I98.6Very high89.4Confident35 Ų3562.7 Ų62.718%0.17931%0.308CS..EExtended strand (participates in β ladder)trans-142.9137.5169.2-171.1166.3000109.2C43 V44 H73 F100 L109 V111C43-I71 VanDerWaalsContact CA-O 3.29Å; C43-I71 WeakPolarHBondContact CA-O 3.43Å; C43-I71 WeakPolarHBondContact CB-O 3.25Å; V44-I71 HydrophobicContact CB-CG2 4.13Å; V44-I71 PolarHBondContact N-O 3.43Å; V44-I71 PolarHBondContact O-N 3.01Å; I71-H73 PolarHBondContact O-N 2.99Å; I71-F100 HydrophobicContact CD1-CD1 4.09Å; I71-F100 HydrophobicContact CD1-CE1 4Å; I71-F100 HydrophobicContact CG1-CE1 4.45Å; I71-F100 HydrophobicContact CG2-CD1 3.81Å; I71-F100 HydrophobicContact CG2-CE1 3.72Å; I71-F100 HydrophobicContact CG2-CG 4.42Å; I71-F100 HydrophobicContact CG2-CZ 4.26Å; I71-L109 HydrophobicContact CB-CB 3.86Å; I71-L109 HydrophobicContact CG2-CB 3.79Å; I71-L109 HydrophobicContact CG2-CD1 3.97Å; I71-L109 HydrophobicContact CG2-CG 4.49Å; I71-V111 HydrophobicContact CD1-CG2 4.28Å
72R98.4Very high91.7Very high151 Ų15154.9 Ų54.957%0.5727%0.273SS*.EExtended strand (participates in β ladder)trans-59.5133.2174.4-175.5178.4-177.6148.610.6110.3E41E41-R72 IonicContact OE1-CZ 3.04Å; E41-R72 IonicContact OE1-NH1 2.72Å; E41-R72 PolarHBondContact OE1-NH1 2.93Å; E41-R72 IonicContact OE1-NH2 2.86Å; E41-R72 PolarHBondContact OE1-NH2 2.76Å; E41-R72 IonicContact OE2-NH1 2.7Å
73H98.5Very high93.9Very high10 Ų1049 Ų495%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-111.2136.5175-176.6-91.3000109.8N42 V44 I71 G75 D76 V77 S92N42-H73 PolarHBondContact O-N 3.17Å; V44-H73 HydrophobicContact CG2-CB 4.41Å; I71-H73 PolarHBondContact O-N 2.99Å; H73-G75 PolarHBondContact ND1-O 3Å; H73-D76 PolarHBondContact CE1-O 3.03Å; H73-V77 HydrophobicContact CB-CG2 4.06Å; H73-S92 VanDerWaalsContact CE1-CB 3.5Å; H73-S92 WeakPolarHBondContact CE1-CB 3.26Å
74H97Very high95.7Very high151 Ų15149.9 Ų49.970%0.69925%0.246SC*.SBendtrans-92.5124.8178.2-169.159.2000110.2S92H74-S92 PolarHBondContact O-OG 2.9Å
75G97.4Very high96.7Very high21 Ų2150 Ų5022%0.21624%0.244CC..SBendtrans77.9179.6-166.600000112.3N42 H73N42-G75 WeakPolarHBondContact CB-O 3.43Å; N42-G75 PolarHBondContact ND2-O 3.05Å; N42-G75 VanDerWaalsContact ND2-O 3.12Å; H73-G75 PolarHBondContact ND1-O 3Å
76D98.7Very high97.3Very high44 Ų4454.4 Ų54.424%0.23527%0.265CS..  trans-73.4142.7176.2-55.2-58.3000110.3W37 D38 N42 H73 M78 S92 S93W37-D76 HydrophobicContact CB-CB 4.02Å; D38-D76 PolarHBondContact N-OD1 3.33Å; N42-D76 WeakPolarHBondContact ND2-CA 3.31Å; N42-D76 PolarHBondContact ND2-OD1 3.13Å; H73-D76 PolarHBondContact CE1-O 3.03Å; D76-M78 HydrophobicContact CB-SD 4.01Å; D76-M78 PolarHBondContact O-N 3.46Å; D76-S92 WeakPolarHBondContact O-CA 3.44Å; D76-S93 PolarHBondContact N-OG 2.95Å; D76-S93 PolarHBondContact O-N 2.88Å; D76-S93 VanDerWaalsContact O-N 3.11Å; D76-S93 PolarHBondContact OD2-OG 2.77Å
77V98.8Very high97.6Very high1 Ų150.6 Ų50.61%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-77.799.6170.2-175.90000107.5S14 S36 V44 H73 L80S14-V77 VanDerWaalsContact CB-O 3.3Å; S14-V77 WeakPolarHBondContact CB-O 3.06Å; S14-V77 PolarHBondContact OG-O 2.88Å; S36-V77 WeakPolarHBondContact O-CB 3.12Å; S36-V77 PolarHBondContact O-N 2.78Å; S36-V77 VanDerWaalsContact O-N 3.15Å; V44-V77 HydrophobicContact CG2-CG2 4.1Å; H73-V77 HydrophobicContact CB-CG2 4.06Å; V77-L80 HydrophobicContact CG1-CB 4.31Å; V77-L80 HydrophobicContact CG1-CD1 4.19Å
78M98.8Very high97.8Very high62 Ų6247.3 Ų47.331%0.30523%0.227SC..EExtended strand (participates in β ladder)trans-78.8-38.5-175.2-61.3-59.3-63.900112.1K15 D76 A91 S93 P133 C134K15-M78 VanDerWaalsContact CE-O 3.25Å; K15-M78 WeakPolarHBondContact CE-O 3.44Å; D76-M78 HydrophobicContact CB-SD 4.01Å; D76-M78 PolarHBondContact O-N 3.46Å; M78-A91 HydrophobicContact CB-CB 4.21Å; M78-A91 PolarHBondContact N-O 2.81Å; M78-S93 VanDerWaalsContact CG-N 3.27Å; M78-P133 HydrophobicContact CE-CB 4.39Å; M78-C134 WeakPolarHBondContact CB-O 3.4Å; M78-C134 WeakPolarHBondContact CG-O 3.42Å
79D98.9Very high97.9Very high17 Ų1745.3 Ų45.39%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-149.2155.8173.6-161.911.1000110.5K15 R17 A90 A91 G136 I137K15-D79 WeakPolarHBondContact CD-OD1 3.4Å; K15-D79 WeakPolarHBondContact CE-OD1 3.28Å; R17-D79 IonicContact NH2-OD1 2.86Å; D79-A90 WeakPolarHBondContact O-CA 3.43Å; D79-A91 HydrophobicContact CB-CB 4.05Å; D79-A91 PolarHBondContact O-N 3.41Å; D79-G136 WeakPolarHBondContact OD2-CA 3.49Å; D79-I137 PolarHBondContact OD2-N 3.33Å
80L98.8Very high98Very high1 Ų144.7 Ų44.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-147.3131.7-175.7-163.172.9000109.6K15 R17 A33 V44 V77 I88 V89 A90K15-L80 HydrophobicContact CB-CB 3.6Å; K15-L80 HydrophobicContact CB-CD2 4.37Å; K15-L80 HydrophobicContact CG-CB 4Å; R17-L80 VanDerWaalsContact CG-O 3.23Å; R17-L80 WeakPolarHBondContact CG-O 3.26Å; R17-L80 PolarHBondContact NE-O 3.48Å; A33-L80 HydrophobicContact CB-CD2 4.04Å; V44-L80 HydrophobicContact CG1-CD1 4.29Å; V44-L80 HydrophobicContact CG2-CD1 4.19Å; V77-L80 HydrophobicContact CG1-CB 4.31Å; V77-L80 HydrophobicContact CG1-CD1 4.19Å; L80-I88 HydrophobicContact CD1-CG2 3.53Å; L80-I88 HydrophobicContact CD2-CG2 4.45Å; L80-I88 HydrophobicContact CG-CG2 3.87Å; L80-V89 WeakPolarHBondContact CA-O 3.34Å; L80-A90 HydrophobicContact CD1-CB 3.69Å
81Q98.6Very high98Very high47 Ų4740.5 Ų40.522%0.2219%0.19CC..EExtended strand (participates in β ladder)trans-143.3144.5176.4-67.6-63-14.900110.9V89 I137Q81-V89 PolarHBondContact N-O 2.73Å; Q81-V89 PolarHBondContact O-N 3.06Å; Q81-I137 HydrophobicContact CG-CG2 4.46Å; Q81-I137 WeakPolarHBondContact CG-O 3.47Å
82F98.3Very high98Very high22 Ų2238.9 Ų38.910%0.09618%0.182CC..EExtended strand (participates in β ladder)trans-75.6130165.1-83-87.2000109.6R17 W18 R19 P20 A33 L46 D84 I88R17-F82 HydrophobicContact CB-CD2 3.88Å; R17-F82 HydrophobicContact CB-CE2 4.08Å; R17-F82 WeakPolarHBondContact O-CE2 3.26Å; W18-F82 WeakPolarHBondContact O-CD2 3.22Å; W18-F82 WeakPolarHBondContact O-CE2 3.49Å; R19-F82 HydrophobicContact CB-CE1 3.93Å; R19-F82 HydrophobicContact CB-CE2 4.19Å; R19-F82 HydrophobicContact CB-CZ 3.7Å; R19-F82 HydrophobicContact CG-CD1 4.38Å; R19-F82 HydrophobicContact CG-CE1 3.87Å; R19-F82 HydrophobicContact CG-CZ 4.18Å; P20-F82 HydrophobicContact CG-CB 3.89Å; P20-F82 HydrophobicContact CG-CG 4.42Å; A33-F82 HydrophobicContact CB-CE2 3.65Å; A33-F82 HydrophobicContact CB-CZ 3.7Å; L46-F82 HydrophobicContact CD2-CE1 4.46Å; L46-F82 HydrophobicContact CD2-CZ 3.9Å; F82-D84 VanDerWaalsContact CD1-O 3.29Å; F82-D84 WeakPolarHBondContact CD1-O 3.37Å; F82-I88 HydrophobicContact CD1-CG1 3.75Å; F82-I88 HydrophobicContact CE1-CD1 3.9Å; F82-I88 HydrophobicContact CE1-CG1 3.54Å; F82-I88 HydrophobicContact CG-CG1 4.48Å; F82-I88 HydrophobicContact CZ-CD1 4.07Å; F82-I88 HydrophobicContact CZ-CG1 4.09Å
83F97.6Very high98Very high14 Ų1433 Ų336%0.06116%0.164CC..SBendtrans-84.5-37.5171.8-176.1-100.3000111.2R87 V89 C139 N141 I144 V158F83-R87 HydrophobicContact CB-CB 4.03Å; F83-R87 HydrophobicContact CD1-CB 4.32Å; F83-R87 VanDerWaalsContact CE1-CZ 3.48Å; F83-R87 VanDerWaalsContact CE1-NH2 3.32Å; F83-R87 PolarHBondContact N-O 2.87Å; F83-V89 HydrophobicContact CB-CG2 3.87Å; F83-V89 HydrophobicContact CD2-CG2 4.42Å; F83-C139 HydrophobicContact CD2-CB 4.01Å; F83-N141 HydrophobicContact CE1-CB 4.23Å; F83-N141 HydrophobicContact CE2-CB 4.35Å; F83-N141 HydrophobicContact CZ-CB 4.02Å; F83-I144 HydrophobicContact CD2-CD1 3.98Å; F83-I144 HydrophobicContact CD2-CG1 3.7Å; F83-I144 HydrophobicContact CE2-CD1 4.04Å; F83-I144 HydrophobicContact CE2-CG1 3.61Å; F83-V158 HydrophobicContact CD1-CG2 4.24Å; F83-V158 HydrophobicContact CD2-CG2 4.29Å; F83-V158 HydrophobicContact CE1-CB 4.44Å; F83-V158 HydrophobicContact CE1-CG2 3.69Å; F83-V158 HydrophobicContact CE2-CG2 3.77Å; F83-V158 HydrophobicContact CG-CG2 4.49Å; F83-V158 HydrophobicContact CZ-CB 4.25Å; F83-V158 HydrophobicContact CZ-CG2 3.39Å
84D95.8Very high98Very high39 Ų3934.4 Ų34.421%0.20917%0.173CC..SBendtrans-156.3-157.7169.958.938.2000109.2F82 E86 R87F82-D84 VanDerWaalsContact CD1-O 3.29Å; F82-D84 WeakPolarHBondContact CD1-O 3.37Å; D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.78Å; D84-E86 PolarHBondContact OD1-N 3.44Å; D84-R87 PolarHBondContact N-O 2.87Å; D84-R87 WeakPolarHBondContact OD1-CB 3.2Å; D84-R87 PolarHBondContact OD1-N 2.96Å; D84-R87 IonicContact OD1-NE 3.66Å; D84-R87 IonicContact OD2-CZ 2.99Å; D84-R87 IonicContact OD2-NE 3.82Å; D84-R87 PolarHBondContact OD2-NE 2.87Å; D84-R87 IonicContact OD2-NH2 3.31Å; D84-R87 PolarHBondContact OD2-NH2 2.81Å
85Q94.9Very high98Very high87 Ų8727.2 Ų27.241%0.40714%0.14SC..SBendtrans-69.2-23.6-178.3-66.8-174.74600114.4R19R19-Q85 VanDerWaalsContact CD-O 3.27Å; R19-Q85 WeakPolarHBondContact CD-O 3.44Å
86E96Very high98Very high96 Ų9626.9 Ų26.945%0.44913%0.134SC..SBendtrans-118.8-19.6-170.8-63.7174.6175.600112D84 L101 H102D84-E86 VanDerWaalsContact C-N 3.3Å; D84-E86 PolarHBondContact O-N 2.78Å; D84-E86 PolarHBondContact OD1-N 3.44Å; E86-L101 HydrophobicContact CB-CD1 3.95Å; E86-H102 WeakPolarHBondContact O-CB 3.43Å; E86-H102 PolarHBondContact O-N 2.8Å
87R98.2Very high98Very high51 Ų5124.8 Ų24.819%0.19212%0.123CC..EExtended strand (participates in β ladder)trans-108.6132.2-177.3-67.2-179.5-71.2-175.1-3.8112.1F83 D84 V99 F100 L101 V158F83-R87 HydrophobicContact CB-CB 4.03Å; F83-R87 HydrophobicContact CD1-CB 4.32Å; F83-R87 VanDerWaalsContact CE1-CZ 3.48Å; F83-R87 VanDerWaalsContact CE1-NH2 3.32Å; F83-R87 PolarHBondContact N-O 2.87Å; D84-R87 PolarHBondContact N-O 2.87Å; D84-R87 WeakPolarHBondContact OD1-CB 3.2Å; D84-R87 PolarHBondContact OD1-N 2.96Å; D84-R87 IonicContact OD1-NE 3.66Å; D84-R87 IonicContact OD2-CZ 2.99Å; D84-R87 IonicContact OD2-NE 3.82Å; D84-R87 PolarHBondContact OD2-NE 2.87Å; D84-R87 IonicContact OD2-NH2 3.31Å; D84-R87 PolarHBondContact OD2-NH2 2.81Å; R87-V99 HydrophobicContact CB-CG1 4.14Å; R87-V99 HydrophobicContact CG-CG1 4.38Å; R87-F100 VanDerWaalsContact CA-O 3.24Å; R87-F100 WeakPolarHBondContact CA-O 3.42Å; R87-L101 HydrophobicContact CG-CD1 3.98Å; R87-V158 VanDerWaalsContact NH1-CG1 3.35Å
88I98.6Very high98Very high1 Ų125.2 Ų25.21%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-120.8131.1179-54.8168.4000108A33 L46 L80 F82 V99 F100 L109A33-I88 HydrophobicContact CB-CD1 3.93Å; L46-I88 HydrophobicContact CD1-CD1 4.17Å; L46-I88 HydrophobicContact CD2-CD1 4.02Å; L46-I88 HydrophobicContact CG-CD1 4.08Å; L80-I88 HydrophobicContact CD1-CG2 3.53Å; L80-I88 HydrophobicContact CD2-CG2 4.45Å; L80-I88 HydrophobicContact CG-CG2 3.87Å; F82-I88 HydrophobicContact CD1-CG1 3.75Å; F82-I88 HydrophobicContact CE1-CD1 3.9Å; F82-I88 HydrophobicContact CE1-CG1 3.54Å; F82-I88 HydrophobicContact CG-CG1 4.48Å; F82-I88 HydrophobicContact CZ-CD1 4.07Å; F82-I88 HydrophobicContact CZ-CG1 4.09Å; I88-V99 CarbonylContact O-C 3.59Å; I88-V99 WeakPolarHBondContact O-CA 3.48Å; I88-F100 HydrophobicContact CB-CB 4.48Å; I88-F100 PolarHBondContact N-O 2.85Å; I88-F100 PolarHBondContact O-N 2.63Å; I88-L109 HydrophobicContact CD1-CD2 4.28Å
89V98.8Very high98Very high0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-103.5129.3175.3-162.90000109L80 Q81 F83 V97 T98 V99 I137 I144L80-V89 WeakPolarHBondContact CA-O 3.34Å; Q81-V89 PolarHBondContact N-O 2.73Å; Q81-V89 PolarHBondContact O-N 3.06Å; F83-V89 HydrophobicContact CB-CG2 3.87Å; F83-V89 HydrophobicContact CD2-CG2 4.42Å; V89-V97 HydrophobicContact CG1-CG1 3.8Å; V89-T98 CarbonylContact C-O 3.56Å; V89-T98 WeakPolarHBondContact CA-O 3.44Å; V89-V99 HydrophobicContact CG1-CG2 4.44Å; V89-V99 HydrophobicContact CG2-CG2 4.38Å; V89-I137 HydrophobicContact CB-CG2 4.3Å; V89-I137 HydrophobicContact CG1-CD1 3.95Å; V89-I137 HydrophobicContact CG1-CG2 4.11Å; V89-I144 HydrophobicContact CG1-CD1 4.32Å; V89-I144 HydrophobicContact CG1-CG2 4.16Å; V89-I144 HydrophobicContact CG2-CD1 3.86Å; V89-I144 HydrophobicContact CG2-CG1 4.4Å
90A98.9Very high98Very high0 Ų021.7 Ų21.70%011%0.108CC..EExtended strand (participates in β ladder)trans-120.8139.117700000111.4V44 D79 L80 V97 T98 F100V44-A90 HydrophobicContact CG2-CB 4.39Å; D79-A90 WeakPolarHBondContact O-CA 3.43Å; L80-A90 HydrophobicContact CD1-CB 3.69Å; A90-V97 WeakPolarHBondContact O-CA 3.34Å; A90-T98 PolarHBondContact N-O 2.79Å; A90-T98 PolarHBondContact O-N 3.29Å; A90-F100 HydrophobicContact CB-CD2 4.22Å; A90-F100 HydrophobicContact CB-CE2 3.68Å
91A98.8Very high98Very high0 Ų023.4 Ų23.40%012%0.117CC..EExtended strand (participates in β ladder)trans-99.2138.1170.300000109.5M78 D79 C134 I137M78-A91 HydrophobicContact CB-CB 4.21Å; M78-A91 PolarHBondContact N-O 2.81Å; D79-A91 HydrophobicContact CB-CB 4.05Å; D79-A91 PolarHBondContact O-N 3.41Å; A91-C134 HydrophobicContact CB-CB 3.73Å; A91-C134 WeakPolarHBondContact CB-O 3.48Å; A91-C134 VanDerWaalsContact CB-SG 3.51Å; A91-I137 HydrophobicContact CB-CD1 3.32Å; A91-I137 HydrophobicContact CB-CG1 3.83Å
92S98.7Very high98Very high1 Ų121.3 Ų21.31%0.00711%0.107CC..EExtended strand (participates in β ladder)trans-111.4149.9-179.81780000112.7H73 H74 D76 T94 G95 C96 C134H73-S92 VanDerWaalsContact CE1-CB 3.5Å; H73-S92 WeakPolarHBondContact CE1-CB 3.26Å; H74-S92 PolarHBondContact O-OG 2.9Å; D76-S92 WeakPolarHBondContact O-CA 3.44Å; S92-T94 VanDerWaalsContact CB-OG1 3.3Å; S92-T94 WeakPolarHBondContact CB-OG1 3.39Å; S92-T94 PolarHBondContact O-N 2.94Å; S92-T94 VanDerWaalsContact O-N 3.13Å; S92-T94 WeakPolarHBondContact OG-CB 3.45Å; S92-T94 WeakPolarHBondContact OG-CG2 3.15Å; S92-T94 PolarHBondContact OG-N 2.75Å; S92-T94 PolarHBondContact OG-OG1 2.95Å; S92-G95 PolarHBondContact O-N 2.92Å; S92-C96 WeakPolarHBondContact CB-O 3.31Å; S92-C96 PolarHBondContact N-O 3.45Å; S92-C134 PolarHBondContact O-N 3.32Å; S92-C134 VanDerWaalsContact O-N 3.16Å
93S98.2Very high98Very high27 Ų2723.4 Ų23.419%0.18912%0.117CC..THydrogen-bonded Turntrans-61.9-14.4166.961.80000113D76 M78 G95 S131D76-S93 PolarHBondContact N-OG 2.95Å; D76-S93 PolarHBondContact O-N 2.88Å; D76-S93 VanDerWaalsContact O-N 3.11Å; D76-S93 PolarHBondContact OD2-OG 2.77Å; M78-S93 VanDerWaalsContact CG-N 3.27Å; S93-G95 VanDerWaalsContact C-N 3.28Å; S93-S131 PolarHBondContact O-OG 2.8Å; S93-S131 VanDerWaalsContact O-OG 3.1Å
94T97.4Very high97.7Very high40 Ų4025.4 Ų25.425%0.24513%0.131CC..THydrogen-bonded Turntrans-78.5-6.8171.765.80000114.3S92 C96 S131S92-T94 VanDerWaalsContact CB-OG1 3.3Å; S92-T94 WeakPolarHBondContact CB-OG1 3.39Å; S92-T94 PolarHBondContact O-N 2.94Å; S92-T94 VanDerWaalsContact O-N 3.13Å; S92-T94 WeakPolarHBondContact OG-CB 3.45Å; S92-T94 WeakPolarHBondContact OG-CG2 3.15Å; S92-T94 PolarHBondContact OG-N 2.75Å; S92-T94 PolarHBondContact OG-OG1 2.95Å; T94-C96 PolarHBondContact O-N 2.77Å; T94-C96 WeakPolarHBondContact OG1-CB 3.27Å; T94-C96 PolarHBondContact OG1-N 3.45Å; T94-S131 WeakPolarHBondContact CA-OG 3.48Å; T94-S131 PolarHBondContact O-OG 2.98Å
95G97.9Very high97.6Very high0 Ų031.7 Ų31.70%017%0.165CC..SBendtrans79.90.7-172.300000115S92 S93 A118 H119 A132S92-G95 PolarHBondContact O-N 2.92Å; S93-G95 VanDerWaalsContact C-N 3.28Å; G95-A118 WeakPolarHBondContact O-CB 3.36Å; G95-H119 PolarHBondContact O-N 3.12Å; G95-A132 WeakPolarHBondContact CA-O 3.18Å; G95-A132 PolarHBondContact N-O 3.3Å
96C98.3Very high97.6Very high14 Ų1432.1 Ų32.110%0.09517%0.17CC..  trans-74.2140.2171.8-174.90000111.1S92 T94 T98S92-C96 WeakPolarHBondContact CB-O 3.31Å; S92-C96 PolarHBondContact N-O 3.45Å; T94-C96 PolarHBondContact O-N 2.77Å; T94-C96 WeakPolarHBondContact OG1-CB 3.27Å; T94-C96 PolarHBondContact OG1-N 3.45Å; C96-T98 PolarHBondContact SG-OG1 2.82Å
97V98.8Very high97.6Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-113.6124168.1177.10000108V89 A90 Q114 W115 A118 C134 T146V89-V97 HydrophobicContact CG1-CG1 3.8Å; A90-V97 WeakPolarHBondContact O-CA 3.34Å; V97-Q114 CarbonylContact O-C 3.53Å; V97-Q114 VanDerWaalsContact O-CA 3.31Å; V97-Q114 WeakPolarHBondContact O-CA 3.34Å; V97-W115 HydrophobicContact CB-CE3 4.11Å; V97-W115 HydrophobicContact CG1-CE3 3.87Å; V97-W115 HydrophobicContact CG1-CZ3 4.17Å; V97-W115 PolarHBondContact N-O 2.87Å; V97-W115 VanDerWaalsContact N-O 3.16Å; V97-W115 PolarHBondContact O-N 2.91Å; V97-A118 HydrophobicContact CB-CB 4.17Å; V97-A118 HydrophobicContact CG2-CB 3.61Å; V97-C134 HydrophobicContact CG2-CB 4.36Å; V97-T146 HydrophobicContact CG1-CG2 4.12Å; V97-T146 HydrophobicContact CG2-CG2 3.87Å
98T98.8Very high97.6Very high11 Ų1131.1 Ų31.17%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-122.4131.3-175.5-56.50000111.1V89 A90 C96 F100 V111 Q114V89-T98 CarbonylContact C-O 3.56Å; V89-T98 WeakPolarHBondContact CA-O 3.44Å; A90-T98 PolarHBondContact N-O 2.79Å; A90-T98 PolarHBondContact O-N 3.29Å; C96-T98 PolarHBondContact SG-OG1 2.82Å; T98-F100 HydrophobicContact CG2-CD1 4.07Å; T98-F100 HydrophobicContact CG2-CD2 4.26Å; T98-F100 HydrophobicContact CG2-CE1 3.69Å; T98-F100 HydrophobicContact CG2-CE2 3.9Å; T98-F100 HydrophobicContact CG2-CG 4.34Å; T98-F100 HydrophobicContact CG2-CZ 3.59Å; T98-V111 HydrophobicContact CG2-CG1 3.95Å; T98-V111 HydrophobicContact CG2-CG2 4.24Å; T98-Q114 HydrophobicContact CG2-CB 4.41Å
99V98.6Very high97.6Very high0 Ų031.8 Ų31.80%018%0.175CC..EExtended strand (participates in β ladder)trans-96.2113.9166.9-173.30000107.7R87 I88 V89 N112 Q113 W115 I144R87-V99 HydrophobicContact CB-CG1 4.14Å; R87-V99 HydrophobicContact CG-CG1 4.38Å; I88-V99 CarbonylContact O-C 3.59Å; I88-V99 WeakPolarHBondContact O-CA 3.48Å; V89-V99 HydrophobicContact CG1-CG2 4.44Å; V89-V99 HydrophobicContact CG2-CG2 4.38Å; V99-N112 HydrophobicContact CG1-CB 4.35Å; V99-N112 WeakPolarHBondContact O-CA 3.13Å; V99-N112 WeakPolarHBondContact O-CB 3.5Å; V99-N112 PolarHBondContact O-N 3.44Å; V99-Q113 HydrophobicContact CB-CB 4.28Å; V99-Q113 HydrophobicContact CG2-CB 4.44Å; V99-Q113 PolarHBondContact N-O 3.2Å; V99-Q113 PolarHBondContact O-N 3.33Å; V99-W115 HydrophobicContact CG2-CH2 4.14Å; V99-W115 HydrophobicContact CG2-CZ3 3.75Å; V99-I144 HydrophobicContact CG2-CD1 4.06Å
100F98.7Very high97.6Very high5 Ų533.5 Ų33.52%0.02219%0.187CC..EExtended strand (participates in β ladder)trans-89.5146.4169.7-61.3-74.3000110.4V44 I71 R87 I88 A90 T98 L109 S110 V111V44-F100 HydrophobicContact CB-CE2 4.39Å; V44-F100 HydrophobicContact CG2-CD2 4.32Å; V44-F100 HydrophobicContact CG2-CE2 3.79Å; V44-F100 HydrophobicContact CG2-CZ 4.39Å; I71-F100 HydrophobicContact CD1-CD1 4.09Å; I71-F100 HydrophobicContact CD1-CE1 4Å; I71-F100 HydrophobicContact CG1-CE1 4.45Å; I71-F100 HydrophobicContact CG2-CD1 3.81Å; I71-F100 HydrophobicContact CG2-CE1 3.72Å; I71-F100 HydrophobicContact CG2-CG 4.42Å; I71-F100 HydrophobicContact CG2-CZ 4.26Å; R87-F100 VanDerWaalsContact CA-O 3.24Å; R87-F100 WeakPolarHBondContact CA-O 3.42Å; I88-F100 HydrophobicContact CB-CB 4.48Å; I88-F100 PolarHBondContact N-O 2.85Å; I88-F100 PolarHBondContact O-N 2.63Å; A90-F100 HydrophobicContact CB-CD2 4.22Å; A90-F100 HydrophobicContact CB-CE2 3.68Å; T98-F100 HydrophobicContact CG2-CD1 4.07Å; T98-F100 HydrophobicContact CG2-CD2 4.26Å; T98-F100 HydrophobicContact CG2-CE1 3.69Å; T98-F100 HydrophobicContact CG2-CE2 3.9Å; T98-F100 HydrophobicContact CG2-CG 4.34Å; T98-F100 HydrophobicContact CG2-CZ 3.59Å; F100-L109 HydrophobicContact CB-CD2 4.3Å; F100-S110 CarbonylContact C-O 3.58Å; F100-S110 VanDerWaalsContact CA-O 3.27Å; F100-S110 WeakPolarHBondContact CA-O 3.34Å; F100-V111 HydrophobicContact CD1-CG2 4.12Å; F100-V111 HydrophobicContact CE1-CG2 3.8Å
101L98.4Very high97.6Very high36 Ų3637 Ų3719%0.18821%0.208CC..EExtended strand (participates in β ladder)trans-115.1122170.8173.567.9000109.2E86 R87 L109 S110 N112E86-L101 HydrophobicContact CB-CD1 3.95Å; R87-L101 HydrophobicContact CG-CD1 3.98Å; L101-L109 WeakPolarHBondContact O-CA 3.27Å; L101-S110 PolarHBondContact N-O 3.08Å; L101-S110 PolarHBondContact O-N 2.96Å; L101-S110 PolarHBondContact O-OG 2.99Å; L101-N112 HydrophobicContact CB-CB 3.83Å
102H98.4Very high97.5Very high4 Ų440.3 Ų40.32%0.01923%0.226CC..EExtended strand (participates in β ladder)trans-79.8133.8167.5179.4-130.1000109.6L46 E86 P104 Q107 L109L46-H102 HydrophobicContact CD1-CB 3.8Å; L46-H102 WeakPolarHBondContact CD1-CD2 3.48Å; L46-H102 VanDerWaalsContact CD1-CG 3.44Å; E86-H102 WeakPolarHBondContact O-CB 3.43Å; E86-H102 PolarHBondContact O-N 2.8Å; H102-P104 WeakPolarHBondContact O-CD 3.4Å; H102-Q107 PolarHBondContact CE1-OE1 3.48Å; H102-Q107 PolarHBondContact NE2-OE1 2.88Å; H102-L109 HydrophobicContact CB-CD2 3.89Å
103H97.6Very high97.4Very high66 Ų6641.6 Ų41.631%0.30623%0.232SC..EExtended strand (participates in β ladder)trans-108.599.5174.9-64.4-88.2000108.5N105 N106 Q107 T108 S110H103-N105 PolarHBondContact O-N 2.95Å; H103-N106 WeakPolarHBondContact CB-OD1 3.08Å; H103-N106 PolarHBondContact O-N 3.16Å; H103-N106 PolarHBondContact O-OD1 3.36Å; H103-Q107 WeakPolarHBondContact O-CA 3.29Å; H103-Q107 PolarHBondContact O-N 3.41Å; H103-T108 PolarHBondContact N-O 2.83Å; H103-T108 PolarHBondContact O-N 3.45Å; H103-S110 PolarHBondContact NE2-OG 3.33Å
104P92.9Very high97.4Very high55 Ų5545.3 Ų45.336%0.35725%0.246SC..THydrogen-bonded Turntrans-62.9-27.5-175-25.334.9000113.9H102 N106 Q107H102-P104 WeakPolarHBondContact O-CD 3.4Å; P104-N106 VanDerWaalsContact C-N 3.33Å; P104-N106 PolarHBondContact O-N 3.06Å; P104-Q107 PolarHBondContact O-NE2 3.14Å
105N93.9Very high97.5Very high171 Ų17144 Ų4491%0.91424%0.237SC*.THydrogen-bonded Turntrans-67.1-32.3-175.4-67-33.2000113.7H103H103-N105 PolarHBondContact O-N 2.95Å
106N94.4Very high97.4Very high96 Ų9648.1 Ų48.151%0.51326%0.263SS..THydrogen-bonded Turntrans-124.63.3-177.664.7-18.2000112.5H103 P104 T108H103-N106 WeakPolarHBondContact CB-OD1 3.08Å; H103-N106 PolarHBondContact O-N 3.16Å; H103-N106 PolarHBondContact O-OD1 3.36Å; P104-N106 VanDerWaalsContact C-N 3.33Å; P104-N106 PolarHBondContact O-N 3.06Å; N106-T108 HydrophobicContact CB-CG2 4.47Å; N106-T108 PolarHBondContact ND2-OG1 3.41Å; N106-T108 VanDerWaalsContact ND2-OG1 3.09Å; N106-T108 PolarHBondContact OD1-OG1 3.17Å
107Q95.8Very high97.2Very high71 Ų7150 Ų5033%0.33228%0.28SS..THydrogen-bonded Turntrans49.161.9-177-58-62.4-23.900110.6C69 H102 H103 P104C69-Q107 WeakPolarHBondContact CB-O 3.31Å; H102-Q107 PolarHBondContact CE1-OE1 3.48Å; H102-Q107 PolarHBondContact NE2-OE1 2.88Å; H103-Q107 WeakPolarHBondContact O-CA 3.29Å; H103-Q107 PolarHBondContact O-N 3.41Å; P104-Q107 PolarHBondContact O-NE2 3.14Å
108T97.9Very high97.1Very high55 Ų5550.3 Ų50.334%0.33728%0.283SS..EExtended strand (participates in β ladder)trans-129151.717367.40000111.4H103 N106H103-T108 PolarHBondContact N-O 2.83Å; H103-T108 PolarHBondContact O-N 3.45Å; N106-T108 HydrophobicContact CB-CG2 4.47Å; N106-T108 PolarHBondContact ND2-OG1 3.41Å; N106-T108 VanDerWaalsContact ND2-OG1 3.09Å; N106-T108 PolarHBondContact OD1-OG1 3.17Å
109L98.6Very high97.1Very high16 Ų1649.9 Ų49.98%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-101.1147.1167.3-76.4165.6000109.8V44 L46 I71 I88 F100 L101 H102V44-L109 HydrophobicContact CG1-CD1 4.43Å; L46-L109 HydrophobicContact CD1-CD1 4.33Å; L46-L109 HydrophobicContact CD1-CD2 3.94Å; L46-L109 HydrophobicContact CD1-CG 4.27Å; L46-L109 HydrophobicContact CG-CD1 4.42Å; I71-L109 HydrophobicContact CB-CB 3.86Å; I71-L109 HydrophobicContact CG2-CB 3.79Å; I71-L109 HydrophobicContact CG2-CD1 3.97Å; I71-L109 HydrophobicContact CG2-CG 4.49Å; I88-L109 HydrophobicContact CD1-CD2 4.28Å; F100-L109 HydrophobicContact CB-CD2 4.3Å; L101-L109 WeakPolarHBondContact O-CA 3.27Å; H102-L109 HydrophobicContact CB-CD2 3.89Å
110S98.4Very high96.9Very high36 Ų3651 Ų5125%0.25229%0.285SS..EExtended strand (participates in β ladder)trans-142.5152.6176630000110.1F100 L101 H103 N112F100-S110 CarbonylContact C-O 3.58Å; F100-S110 VanDerWaalsContact CA-O 3.27Å; F100-S110 WeakPolarHBondContact CA-O 3.34Å; L101-S110 PolarHBondContact N-O 3.08Å; L101-S110 PolarHBondContact O-N 2.96Å; L101-S110 PolarHBondContact O-OG 2.99Å; H103-S110 PolarHBondContact NE2-OG 3.33Å; S110-N112 PolarHBondContact O-N 3.22Å
111V98.4Very high96.4Very high73 Ų7354.5 Ų54.544%0.44230%0.301SS..EExtended strand (participates in β ladder)trans-73.3114.9170.7177.30000108.4I71 T98 F100 Q114I71-V111 HydrophobicContact CD1-CG2 4.28Å; T98-V111 HydrophobicContact CG2-CG1 3.95Å; T98-V111 HydrophobicContact CG2-CG2 4.24Å; F100-V111 HydrophobicContact CD1-CG2 4.12Å; F100-V111 HydrophobicContact CE1-CG2 3.8Å; V111-Q114 HydrophobicContact CG1-CB 4.49Å
112N97.5Very high95.4Very high70 Ų7057.2 Ų57.237%0.37432%0.32SS..EExtended strand (participates in β ladder)trans-85.5-48.5176.4176.5-102000111.3V99 L101 S110V99-N112 HydrophobicContact CG1-CB 4.35Å; V99-N112 WeakPolarHBondContact O-CA 3.13Å; V99-N112 WeakPolarHBondContact O-CB 3.5Å; V99-N112 PolarHBondContact O-N 3.44Å; L101-N112 HydrophobicContact CB-CB 3.83Å; S110-N112 PolarHBondContact O-N 3.22Å
113Q97.4Very high93.7Very high28 Ų2858.9 Ų58.913%0.13134%0.337CS..EExtended strand (participates in β ladder)trans-151.9153.1179.4179.5167.1-9.500109.7V99 W115 H160V99-Q113 HydrophobicContact CB-CB 4.28Å; V99-Q113 HydrophobicContact CG2-CB 4.44Å; V99-Q113 PolarHBondContact N-O 3.2Å; V99-Q113 PolarHBondContact O-N 3.33Å; Q113-W115 HydrophobicContact CG-CH2 4.33Å; Q113-W115 HydrophobicContact CG-CZ2 4.24Å; Q113-W115 VanDerWaalsContact NE2-CE2 3.27Å; Q113-H160 PolarHBondContact NE2-O 3.24Å
114Q97.6Very high91.7Very high105 Ų10562.5 Ų62.549%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-147149.8174.858.9-178.1-34.800111.2V97 T98 V111 P116V97-Q114 CarbonylContact O-C 3.53Å; V97-Q114 VanDerWaalsContact O-CA 3.31Å; V97-Q114 WeakPolarHBondContact O-CA 3.34Å; T98-Q114 HydrophobicContact CG2-CB 4.41Å; V111-Q114 HydrophobicContact CG1-CB 4.49Å; Q114-P116 HydrophobicContact CG-CG 4.12Å
115W98.3Very high89.9Confident13 Ų1364.1 Ų64.15%0.04939%0.393CS..EExtended strand (participates in β ladder)trans-118.788.4168.4-61-83.1000108.4V97 V99 Q113 A117 A118 I144 F156 H160 K161V97-W115 HydrophobicContact CB-CE3 4.11Å; V97-W115 HydrophobicContact CG1-CE3 3.87Å; V97-W115 HydrophobicContact CG1-CZ3 4.17Å; V97-W115 PolarHBondContact N-O 2.87Å; V97-W115 VanDerWaalsContact N-O 3.16Å; V97-W115 PolarHBondContact O-N 2.91Å; V99-W115 HydrophobicContact CG2-CH2 4.14Å; V99-W115 HydrophobicContact CG2-CZ3 3.75Å; Q113-W115 HydrophobicContact CG-CH2 4.33Å; Q113-W115 HydrophobicContact CG-CZ2 4.24Å; Q113-W115 VanDerWaalsContact NE2-CE2 3.27Å; W115-A117 PolarHBondContact O-N 3.44Å; W115-A118 HydrophobicContact CB-CB 4.01Å; W115-A118 WeakPolarHBondContact O-CB 3.47Å; W115-A118 PolarHBondContact O-N 2.82Å; W115-I144 HydrophobicContact CH2-CD1 4.1Å; W115-I144 HydrophobicContact CZ3-CD1 4.21Å; W115-F156 HydrophobicContact CB-CE1 4.17Å; W115-F156 HydrophobicContact CB-CZ 4.12Å; W115-F156 AromaticContact CD1-CD1 3.76Å; W115-F156 AromaticContact CD1-CE1 3.55Å; W115-F156 AromaticContact CD2-CD1 3.74Å; W115-F156 HydrophobicContact CD2-CD1 3.74Å; W115-F156 HydrophobicContact CD2-CD2 4.38Å; W115-F156 AromaticContact CD2-CE1 3.93Å; W115-F156 HydrophobicContact CD2-CE1 3.93Å; W115-F156 AromaticContact CD2-CG 3.99Å; W115-F156 HydrophobicContact CD2-CG 3.99Å; W115-F156 HydrophobicContact CD2-CZ 4.33Å; W115-F156 AromaticContact CE2-CD1 3.44Å; W115-F156 VanDerWaalsContact CE2-CD1 3.44Å; W115-F156 AromaticContact CE2-CG 3.82Å; W115-F156 HydrophobicContact CE3-CD1 4.44Å; W115-F156 HydrophobicContact CE3-CD2 4.34Å; W115-F156 HydrophobicContact CE3-CG 4.24Å; W115-F156 AromaticContact CG-CD1 3.92Å; W115-F156 HydrophobicContact CG-CD1 3.92Å; W115-F156 AromaticContact CG-CE1 3.63Å; W115-F156 HydrophobicContact CG-CE1 3.63Å; W115-F156 HydrophobicContact CG-CZ 4.01Å; W115-F156 HydrophobicContact CH2-CB 3.77Å; W115-F156 HydrophobicContact CH2-CG 4.19Å; W115-F156 HydrophobicContact CZ2-CB 3.65Å; W115-F156 AromaticContact CZ2-CD1 3.9Å; W115-F156 HydrophobicContact CZ2-CD1 3.9Å; W115-F156 AromaticContact CZ2-CG 3.92Å; W115-F156 HydrophobicContact CZ2-CG 3.92Å; W115-F156 HydrophobicContact CZ3-CB 4.28Å; W115-F156 HydrophobicContact CZ3-CG 4.34Å; W115-F156 AromaticContact NE1-CD1 3.47Å; W115-F156 AromaticContact NE1-CE1 3.78Å; W115-H160 PolarHBondContact NE1-O 3.22Å; W115-K161 PolarHBondContact NE1-O 2.86Å
116P96.1Very high87.7Confident85 Ų8558.8 Ų58.855%0.55237%0.37SS*.THydrogen-bonded Turntrans-65.3-22.5-172.2-23.835.1000114.7Q114Q114-P116 HydrophobicContact CG-CG 4.12Å
117A94.4Very high85.8Confident54 Ų5460.4 Ų60.445%0.44639%0.385SS..THydrogen-bonded Turntrans-116.131.6179.900000111.4W115 H119 H120W115-A117 PolarHBondContact O-N 3.44Å; A117-H119 VanDerWaalsContact C-N 3.28Å; A117-H119 PolarHBondContact O-N 2.87Å; A117-H120 PolarHBondContact O-CE1 2.89Å; A117-H120 PolarHBondContact O-ND1 2.85Å
118A97.2Very high84.1Confident7 Ų760.7 Ų60.76%0.05840%0.395CS..SBendtrans-59.2-42.5177.200000111.4G95 V97 W115 N154 F156G95-A118 WeakPolarHBondContact O-CB 3.36Å; V97-A118 HydrophobicContact CB-CB 4.17Å; V97-A118 HydrophobicContact CG2-CB 3.61Å; W115-A118 HydrophobicContact CB-CB 4.01Å; W115-A118 WeakPolarHBondContact O-CB 3.47Å; W115-A118 PolarHBondContact O-N 2.82Å; A118-N154 PolarHBondContact O-ND2 2.97Å; A118-F156 HydrophobicContact CB-CE2 4.05Å; A118-F156 HydrophobicContact CB-CZ 3.78Å
119H97.8Very high82.7Confident1 Ų165.5 Ų65.51%0.00541%0.408CS..SBendtrans-125.7128.3174.6-66.8-80.8000111G95 A117 A132 C134 T146 G148 D150 N154G95-H119 PolarHBondContact O-N 3.12Å; A117-H119 VanDerWaalsContact C-N 3.28Å; A117-H119 PolarHBondContact O-N 2.87Å; H119-A132 HydrophobicContact CB-CB 4.29Å; H119-A132 VanDerWaalsContact CB-O 3.22Å; H119-A132 WeakPolarHBondContact CB-O 3.44Å; H119-C134 VanDerWaalsContact CD2-SG 3.54Å; H119-T146 PolarHBondContact NE2-OG1 3.18Å; H119-G148 PolarHBondContact CE1-N 2.77Å; H119-G148 VanDerWaalsContact CE1-N 3.28Å; H119-D150 VanDerWaalsContact CA-OD2 3.22Å; H119-D150 WeakPolarHBondContact CA-OD2 3.4Å; H119-D150 IonicContact CE1-OD1 3.74Å; H119-D150 IonicContact CG-OD1 2.74Å; H119-D150 IonicContact CG-OD2 3.85Å; H119-D150 IonicContact ND1-OD1 3.48Å; H119-D150 PolarHBondContact ND1-OD1 2.88Å; H119-D150 IonicContact ND1-OD2 3.41Å; H119-N154 PolarHBondContact CE1-ND2 3.2Å; H119-N154 VanDerWaalsContact CE1-ND2 3.32Å; H119-N154 PolarHBondContact NE2-ND2 3.12Å
120H94.7Very high82.1Confident25 Ų2567.8 Ų67.812%0.11643%0.425CS..EExtended strand (participates in β ladder)trans-164.5145.8-178.659.9-93.2000112.2A117 Y129 D150 R152A117-H120 PolarHBondContact O-CE1 2.89Å; A117-H120 PolarHBondContact O-ND1 2.85Å; H120-Y129 HydrophobicContact CB-CD1 4.31Å; H120-Y129 AromaticContact CD2-CD1 3.24Å; H120-Y129 WeakPolarHBondContact CD2-CD1 3.24Å; H120-Y129 AromaticContact CD2-CE1 3.61Å; H120-Y129 AromaticContact CG-CD1 3.8Å; H120-Y129 AromaticContact NE2-CD1 3.7Å; H120-Y129 AromaticContact NE2-CE1 3.53Å; H120-D150 PolarHBondContact N-OD2 2.84Å; H120-R152 PolarHBondContact CD2-NH2 2.94Å; H120-R152 PolarHBondContact NE2-NH2 3.35Å
121H88.6Confident81.8Confident77 Ų7769 Ų6936%0.35643%0.434SS..EExtended strand (participates in β ladder)trans-84.9131.6169.2-62.4105.8000110.3S130 S131 A132H121-S130 WeakPolarHBondContact CB-OG 3.34Å; H121-S130 PolarHBondContact N-O 2.97Å; H121-S130 PolarHBondContact O-N 2.98Å; H121-S131 PolarHBondContact ND1-O 2.85Å; H121-A132 VanDerWaalsContact CE1-CB 3.47Å; H121-A132 WeakPolarHBondContact CE1-CB 3.49Å
122T78.1Confident81.7Confident94 Ų9465.5 Ų65.558%0.57741%0.413SS*.  trans-98.9111.3169.954.70000109.6Y129T122-Y129 HydrophobicContact CG2-CD1 4.27Å; T122-Y129 HydrophobicContact CG2-CE1 4.12Å
123G62Low81.7Confident38 Ų3863.2 Ų63.239%0.39240%0.402SS..  trans-79.4146.417500000112.4G125G123-G125 PolarHBondContact O-N 3.4Å; G123-G125 VanDerWaalsContact O-N 3.16Å
124P55.1Low81.8Confident143 Ų14361.9 Ų61.993%0.92940%0.395SS*.THydrogen-bonded Turntrans-63.5115.8169-14.227000110.1
125G54.8Low81.8Confident88 Ų8857.9 Ų57.991%0.90738%0.378SS*.THydrogen-bonded Turntrans846.1169.300000117.1G123G123-G125 PolarHBondContact O-N 3.4Å; G123-G125 VanDerWaalsContact O-N 3.16Å
126S48.5Very low81.8Confident60 Ų6057.3 Ų57.342%0.4238%0.376SS..  trans-110.5130.1166.8-168.20000110.6S128S126-S128 PolarHBondContact O-N 2.89Å; S126-S128 PolarHBondContact OG-N 3.27Å; S126-S128 PolarHBondContact OG-OG 2.8Å
127P54.7Low82Confident130 Ų13053.3 Ų53.384%0.84435%0.35SS*.SBendtrans-72.7-0.4171.630.8-33.7000113
128S59.2Low82.1Confident76 Ų7651.6 Ų51.653%0.53133%0.334SS..PPolyproline II helixtrans-90.9116.4177.766.10000111.3S126 S130S126-S128 PolarHBondContact O-N 2.89Å; S126-S128 PolarHBondContact OG-N 3.27Å; S126-S128 PolarHBondContact OG-OG 2.8Å; S128-S130 PolarHBondContact O-N 2.78Å
129Y68.8Low82.1Confident157 Ų15752.9 Ų52.962%0.61634%0.342SS*.PPolyproline II helixtrans-61.8125.6162.8-60.1-73.7000109.2H120 T122H120-Y129 HydrophobicContact CB-CD1 4.31Å; H120-Y129 AromaticContact CD2-CD1 3.24Å; H120-Y129 WeakPolarHBondContact CD2-CD1 3.24Å; H120-Y129 AromaticContact CD2-CE1 3.61Å; H120-Y129 AromaticContact CG-CD1 3.8Å; H120-Y129 AromaticContact NE2-CD1 3.7Å; H120-Y129 AromaticContact NE2-CE1 3.53Å; T122-Y129 HydrophobicContact CG2-CD1 4.27Å; T122-Y129 HydrophobicContact CG2-CE1 4.12Å
130S85.9Confident82Confident63 Ų6356.5 Ų56.544%0.44136%0.362SS..EExtended strand (participates in β ladder)trans-92.2134.7163.653.50000108.7H121 S128H121-S130 WeakPolarHBondContact CB-OG 3.34Å; H121-S130 PolarHBondContact N-O 2.97Å; H121-S130 PolarHBondContact O-N 2.98Å; S128-S130 PolarHBondContact O-N 2.78Å
131S91.6Very high81.9Confident62 Ų6259.7 Ų59.743%0.43438%0.38SS..EExtended strand (participates in β ladder)trans-48.8142.2177.4178.40000111.8S93 T94 H121S93-S131 PolarHBondContact O-OG 2.8Å; S93-S131 VanDerWaalsContact O-OG 3.1Å; T94-S131 WeakPolarHBondContact CA-OG 3.48Å; T94-S131 PolarHBondContact O-OG 2.98Å; H121-S131 PolarHBondContact ND1-O 2.85Å
132A96.6Very high82.1Confident0 Ų058.7 Ų58.70%038%0.38CS..  trans-129.9124.7165.800000107.6G95 H119 H121 C134 D150G95-A132 WeakPolarHBondContact CA-O 3.18Å; G95-A132 PolarHBondContact N-O 3.3Å; H119-A132 HydrophobicContact CB-CB 4.29Å; H119-A132 VanDerWaalsContact CB-O 3.22Å; H119-A132 WeakPolarHBondContact CB-O 3.44Å; H121-A132 VanDerWaalsContact CE1-CB 3.47Å; H121-A132 WeakPolarHBondContact CE1-CB 3.49Å; A132-C134 PolarHBondContact O-N 2.88Å; A132-D150 HydrophobicContact CB-CB 3.69Å
133P98.4Very high83Confident22 Ų2256.1 Ų56.114%0.14336%0.361CS..  trans-54.6134.7179.2-26.333.6000112.5M78 G148 E149M78-P133 HydrophobicContact CE-CB 4.39Å; P133-G148 WeakPolarHBondContact O-CA 3.43Å; P133-E149 HydrophobicContact CB-CG 3.96Å; P133-E149 VanDerWaalsContact CD-OE2 3.29Å; P133-E149 WeakPolarHBondContact CD-OE2 3.46Å; P133-E149 HydrophobicContact CG-CG 4.04Å; P133-E149 PolarHBondContact O-N 2.96Å
134C98.7Very high84.7Confident0 Ų054.3 Ų54.30%034%0.343CS..EExtended strand (participates in β ladder)trans-81115.9164.3-176.40000106.8M78 A91 S92 V97 H119 A132 V147M78-C134 WeakPolarHBondContact CB-O 3.4Å; M78-C134 WeakPolarHBondContact CG-O 3.42Å; A91-C134 HydrophobicContact CB-CB 3.73Å; A91-C134 WeakPolarHBondContact CB-O 3.48Å; A91-C134 VanDerWaalsContact CB-SG 3.51Å; S92-C134 PolarHBondContact O-N 3.32Å; S92-C134 VanDerWaalsContact O-N 3.16Å; V97-C134 HydrophobicContact CG2-CB 4.36Å; H119-C134 VanDerWaalsContact CD2-SG 3.54Å; A132-C134 PolarHBondContact O-N 2.88Å; C134-V147 CarbonylContact C-O 3.52Å
135T98.8Very high86.7Confident20 Ų2047.5 Ų47.512%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-98-24-167.948.80000113.4V147 G148 E149 L175 H176T135-V147 PolarHBondContact N-O 3.26Å; T135-V147 PolarHBondContact OG1-O 2.75Å; T135-G148 WeakPolarHBondContact OG1-CA 3.5Å; T135-E149 HydrophobicContact CG2-CG 3.77Å; T135-L175 WeakPolarHBondContact CB-O 3.35Å; T135-L175 PolarHBondContact OG1-O 3.02Å; T135-H176 CarbonylContact C-O 3.48Å
136G98.6Very high88.8Confident1 Ų143.3 Ų43.31%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-152.6147.6178.700000113.6D79 T146 V147D79-G136 WeakPolarHBondContact OD2-CA 3.49Å; G136-T146 VanDerWaalsContact O-CA 3.3Å; G136-T146 WeakPolarHBondContact O-CA 3.26Å; G136-V147 PolarHBondContact N-O 2.95Å; G136-V147 PolarHBondContact O-N 2.88Å
137I98.6Very high91.2Very high1 Ų140.4 Ų40.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-132.6138.1176.1-63.2165.3000109.3D79 Q81 V89 A91 I144 V145 T146D79-I137 PolarHBondContact OD2-N 3.33Å; Q81-I137 HydrophobicContact CG-CG2 4.46Å; Q81-I137 WeakPolarHBondContact CG-O 3.47Å; V89-I137 HydrophobicContact CB-CG2 4.3Å; V89-I137 HydrophobicContact CG1-CD1 3.95Å; V89-I137 HydrophobicContact CG1-CG2 4.11Å; A91-I137 HydrophobicContact CB-CD1 3.32Å; A91-I137 HydrophobicContact CB-CG1 3.83Å; I137-I144 HydrophobicContact CG2-CG2 3.95Å; I137-V145 WeakPolarHBondContact CA-O 3.49Å; I137-T146 HydrophobicContact CG1-CG2 3.93Å
138V98.4Very high93.3Very high19 Ų1934.2 Ų34.212%0.11520%0.195CC..EExtended strand (participates in β ladder)trans-132.9146.6161.6-70.50000111.7V145 V178 F180V138-V145 HydrophobicContact CG2-CB 3.93Å; V138-V145 HydrophobicContact CG2-CG1 4.47Å; V138-V145 PolarHBondContact N-O 3.27Å; V138-V145 PolarHBondContact O-N 2.81Å; V138-V178 HydrophobicContact CG1-CG1 4.38Å; V138-V178 WeakPolarHBondContact CG1-O 3.19Å; V138-V178 HydrophobicContact CG2-CG1 3.98Å; V138-V178 HydrophobicContact CG2-CG2 4.18Å; V138-F180 HydrophobicContact CB-CD2 4.04Å; V138-F180 HydrophobicContact CB-CE2 4.11Å; V138-F180 HydrophobicContact CG2-CD2 3.64Å; V138-F180 HydrophobicContact CG2-CE2 3.62Å; V138-F180 HydrophobicContact CG2-CZ 4.47Å
139C96.8Very high95.1Very high34 Ų3434.6 Ų34.623%0.2319%0.188CC..EExtended strand (participates in β ladder)trans-118133.6-176.7-61.40000110.3F83F83-C139 HydrophobicContact CD2-CB 4.01Å
140D94.7Very high96.5Very high76 Ų7628 Ų2841%0.40616%0.163SC..EExtended strand (participates in β ladder)trans-139.789.4165.2-177.228.1000107.5P142 E143 F180 T183D140-P142 VanDerWaalsContact O-N 3.15Å; D140-E143 CarbonylContact C-O 3.44Å; D140-E143 PolarHBondContact N-O 2.74Å; D140-E143 WeakPolarHBondContact O-CA 3.35Å; D140-E143 WeakPolarHBondContact O-CB 3.28Å; D140-E143 PolarHBondContact O-N 2.93Å; D140-F180 HydrophobicContact CB-CD2 3.98Å; D140-F180 HydrophobicContact CB-CE1 4.45Å; D140-F180 HydrophobicContact CB-CE2 3.61Å; D140-F180 HydrophobicContact CB-CZ 3.87Å; D140-T183 WeakPolarHBondContact OD2-CB 3.39Å; D140-T183 PolarHBondContact OD2-OG1 2.92Å
141N92.1Very high96.9Very high93 Ų9325 Ų2550%0.49714%0.143SC..THydrogen-bonded Turntrans-47.6120.3-168.8-179.7-9.3000111.6F83F83-N141 HydrophobicContact CE1-CB 4.23Å; F83-N141 HydrophobicContact CE2-CB 4.35Å; F83-N141 HydrophobicContact CZ-CB 4.02Å
142P93.9Very high97.2Very high55 Ų5524 Ų2436%0.35713%0.129SC..THydrogen-bonded Turncis-97.811.320.338.8-37.7000116.8D140 R157D140-P142 VanDerWaalsContact O-N 3.15Å; P142-R157 WeakPolarHBondContact O-CA 3.37Å
143E95.8Very high97.3Very high40 Ų4024 Ų2419%0.18713%0.129CC..EExtended strand (participates in β ladder)trans-96.9143.2-171.1-62.1-175.1170.900112.5D140 L155 F156 R157 T183D140-E143 CarbonylContact C-O 3.44Å; D140-E143 PolarHBondContact N-O 2.74Å; D140-E143 WeakPolarHBondContact O-CA 3.35Å; D140-E143 WeakPolarHBondContact O-CB 3.28Å; D140-E143 PolarHBondContact O-N 2.93Å; E143-L155 HydrophobicContact CB-CD1 3.87Å; E143-L155 HydrophobicContact CG-CD1 4.12Å; E143-F156 WeakPolarHBondContact CA-O 3.44Å; E143-R157 HydrophobicContact CG-CG 4.31Å; E143-T183 WeakPolarHBondContact OE2-CG2 3.27Å
144I98.1Very high97.3Very high0 Ų023.1 Ų23.10%012%0.124CC..EExtended strand (participates in β ladder)trans-126.3126172-59.5169.1000106.6F83 V89 V99 W115 I137 T146 F156 V158F83-I144 HydrophobicContact CD2-CD1 3.98Å; F83-I144 HydrophobicContact CD2-CG1 3.7Å; F83-I144 HydrophobicContact CE2-CD1 4.04Å; F83-I144 HydrophobicContact CE2-CG1 3.61Å; V89-I144 HydrophobicContact CG1-CD1 4.32Å; V89-I144 HydrophobicContact CG1-CG2 4.16Å; V89-I144 HydrophobicContact CG2-CD1 3.86Å; V89-I144 HydrophobicContact CG2-CG1 4.4Å; V99-I144 HydrophobicContact CG2-CD1 4.06Å; W115-I144 HydrophobicContact CH2-CD1 4.1Å; W115-I144 HydrophobicContact CZ3-CD1 4.21Å; I137-I144 HydrophobicContact CG2-CG2 3.95Å; I144-T146 HydrophobicContact CG2-CG2 3.99Å; I144-F156 HydrophobicContact CB-CB 4.23Å; I144-F156 PolarHBondContact N-O 2.79Å; I144-F156 PolarHBondContact O-N 3.43Å; I144-V158 HydrophobicContact CD1-CG2 3.71Å
145V98.6Very high97.2Very high0 Ų023.5 Ų23.50%013%0.126CC..EExtended strand (participates in β ladder)trans-111.2134.3174.9173.70000109.2I137 V138 I153 N154 L155 V178 F180 I186 F200I137-V145 WeakPolarHBondContact CA-O 3.49Å; V138-V145 HydrophobicContact CG2-CB 3.93Å; V138-V145 HydrophobicContact CG2-CG1 4.47Å; V138-V145 PolarHBondContact N-O 3.27Å; V138-V145 PolarHBondContact O-N 2.81Å; V145-I153 HydrophobicContact CG1-CG2 4.2Å; V145-N154 CarbonylContact C-O 3.57Å; V145-N154 VanDerWaalsContact CA-O 3.26Å; V145-N154 WeakPolarHBondContact CA-O 3.29Å; V145-L155 HydrophobicContact CG2-CD1 3.76Å; V145-V178 HydrophobicContact CG1-CG2 3.84Å; V145-F180 HydrophobicContact CB-CZ 4.31Å; V145-F180 HydrophobicContact CG2-CE1 3.94Å; V145-F180 HydrophobicContact CG2-CE2 4.32Å; V145-F180 HydrophobicContact CG2-CZ 3.54Å; V145-I186 HydrophobicContact CG1-CD1 3.87Å; V145-I186 HydrophobicContact CG1-CG2 4.39Å; V145-I186 HydrophobicContact CG2-CG2 4.25Å; V145-F200 HydrophobicContact CG1-CE2 4.39Å; V145-F200 HydrophobicContact CG1-CZ 4Å; V145-F200 HydrophobicContact CG2-CE2 3.63Å; V145-F200 HydrophobicContact CG2-CZ 3.86Å
146T98.8Very high97.2Very high0 Ų022.8 Ų22.80%012%0.121CC..EExtended strand (participates in β ladder)trans-130.9149.717878.10000112.1V97 H119 G136 I137 I144 I153 N154 F156V97-T146 HydrophobicContact CG1-CG2 4.12Å; V97-T146 HydrophobicContact CG2-CG2 3.87Å; H119-T146 PolarHBondContact NE2-OG1 3.18Å; G136-T146 VanDerWaalsContact O-CA 3.3Å; G136-T146 WeakPolarHBondContact O-CA 3.26Å; I137-T146 HydrophobicContact CG1-CG2 3.93Å; I144-T146 HydrophobicContact CG2-CG2 3.99Å; T146-I153 WeakPolarHBondContact O-CA 3.34Å; T146-N154 PolarHBondContact N-O 3.2Å; T146-N154 PolarHBondContact O-N 2.97Å; T146-F156 HydrophobicContact CG2-CD2 4.1Å; T146-F156 HydrophobicContact CG2-CE2 4.12Å
147V98.8Very high97Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-131.9157175.3-61.70000110.2C134 T135 G136 R152 I153 L175 V178 T188C134-V147 CarbonylContact C-O 3.52Å; T135-V147 PolarHBondContact N-O 3.26Å; T135-V147 PolarHBondContact OG1-O 2.75Å; G136-V147 PolarHBondContact N-O 2.95Å; G136-V147 PolarHBondContact O-N 2.88Å; V147-R152 WeakPolarHBondContact CA-O 3.45Å; V147-I153 HydrophobicContact CG1-CG1 4.1Å; V147-I153 HydrophobicContact CG1-CG2 4.28Å; V147-L175 HydrophobicContact CB-CB 3.9Å; V147-L175 HydrophobicContact CB-CD1 3.94Å; V147-L175 HydrophobicContact CG1-CD1 4.01Å; V147-L175 HydrophobicContact CG2-CB 4.2Å; V147-V178 HydrophobicContact CG1-CB 3.8Å; V147-V178 HydrophobicContact CG1-CG1 4.06Å; V147-V178 HydrophobicContact CG1-CG2 4.19Å; V147-V178 HydrophobicContact CG2-CB 4.03Å; V147-V178 HydrophobicContact CG2-CG1 3.9Å; V147-T188 HydrophobicContact CG1-CG2 3.85Å
148G98.4Very high96.6Very high0 Ų027.8 Ų27.80%014%0.14CC..EExtended strand (participates in β ladder)trans-155177-177.700000114.2H119 P133 T135 D150 G151H119-G148 PolarHBondContact CE1-N 2.77Å; H119-G148 VanDerWaalsContact CE1-N 3.28Å; P133-G148 WeakPolarHBondContact O-CA 3.43Å; T135-G148 WeakPolarHBondContact OG1-CA 3.5Å; G148-D150 PolarHBondContact O-N 3.28Å; G148-G151 PolarHBondContact O-N 3.32Å; G148-G151 VanDerWaalsContact O-N 3.13Å
149E97.6Very high96.3Very high83 Ų8333.2 Ų33.239%0.38817%0.169SC..THydrogen-bonded Turntrans-68.3-17.7-179-54.2-165.9158.700113.7P133 T135 G151 T174P133-E149 HydrophobicContact CB-CG 3.96Å; P133-E149 VanDerWaalsContact CD-OE2 3.29Å; P133-E149 WeakPolarHBondContact CD-OE2 3.46Å; P133-E149 HydrophobicContact CG-CG 4.04Å; P133-E149 PolarHBondContact O-N 2.96Å; T135-E149 HydrophobicContact CG2-CG 3.77Å; E149-G151 PolarHBondContact O-N 3.24Å; E149-T174 HydrophobicContact CB-CG2 4.21Å; E149-T174 HydrophobicContact CG-CG2 3.85Å
150D96.3Very high96.2Very high18 Ų1835.3 Ų35.310%0.09618%0.175CC..THydrogen-bonded Turntrans-74.80.2173.563.9-7.3000113.6H119 H120 A132 G148 R152H119-D150 VanDerWaalsContact CA-OD2 3.22Å; H119-D150 WeakPolarHBondContact CA-OD2 3.4Å; H119-D150 IonicContact CE1-OD1 3.74Å; H119-D150 IonicContact CG-OD1 2.74Å; H119-D150 IonicContact CG-OD2 3.85Å; H119-D150 IonicContact ND1-OD1 3.48Å; H119-D150 PolarHBondContact ND1-OD1 2.88Å; H119-D150 IonicContact ND1-OD2 3.41Å; H120-D150 PolarHBondContact N-OD2 2.84Å; A132-D150 HydrophobicContact CB-CB 3.69Å; G148-D150 PolarHBondContact O-N 3.28Å; D150-R152 HydrophobicContact CB-CG 4.46Å; D150-R152 PolarHBondContact O-N 2.88Å; D150-R152 WeakPolarHBondContact OD1-CB 3.49Å; D150-R152 PolarHBondContact OD1-N 2.69Å; D150-R152 VanDerWaalsContact OD1-N 3.13Å; D150-R152 WeakPolarHBondContact OD2-CD 3.17Å; D150-R152 WeakPolarHBondContact OD2-CG 3.33Å; D150-R152 IonicContact OD2-NE 3.59Å; D150-R152 PolarHBondContact OD2-NE 3.17Å
151G96.3Very high96.1Very high1 Ų140.4 Ų40.41%0.0119%0.194CC..  trans70.516.3-179.900000113.4G148 E149 A170 D171G148-G151 PolarHBondContact O-N 3.32Å; G148-G151 VanDerWaalsContact O-N 3.13Å; E149-G151 PolarHBondContact O-N 3.24Å; G151-A170 WeakPolarHBondContact O-CB 3.42Å; G151-A170 PolarHBondContact O-N 2.82Å; G151-D171 WeakPolarHBondContact CA-O 3.46Å; G151-D171 PolarHBondContact O-N 2.97Å
152R96.9Very high96.3Very high40 Ų4043.3 Ų43.315%0.15120%0.204CC..  trans-88149.4174.7-63.5-173.3-166.1-136.712111.7H120 V147 D150 I167 D168H120-R152 PolarHBondContact CD2-NH2 2.94Å; H120-R152 PolarHBondContact NE2-NH2 3.35Å; V147-R152 WeakPolarHBondContact CA-O 3.45Å; D150-R152 HydrophobicContact CB-CG 4.46Å; D150-R152 PolarHBondContact O-N 2.88Å; D150-R152 WeakPolarHBondContact OD1-CB 3.49Å; D150-R152 PolarHBondContact OD1-N 2.69Å; D150-R152 VanDerWaalsContact OD1-N 3.13Å; D150-R152 WeakPolarHBondContact OD2-CD 3.17Å; D150-R152 WeakPolarHBondContact OD2-CG 3.33Å; D150-R152 IonicContact OD2-NE 3.59Å; D150-R152 PolarHBondContact OD2-NE 3.17Å; R152-I167 WeakPolarHBondContact CA-O 3.49Å; R152-D168 IonicContact CZ-OD1 3.85Å; R152-D168 VanDerWaalsContact CZ-OD1 3.3Å; R152-D168 IonicContact NE-OD1 3.57Å; R152-D168 IonicContact NH1-OD1 3.61Å; R152-D168 PolarHBondContact NH1-OD1 2.84Å
153I98.3Very high96.3Very high0 Ų042 Ų420%020%0.198CC..EExtended strand (participates in β ladder)trans-121.6118.7167.6-52.9175.9000107.8V145 T146 V147 T166 I167 A170 L175 I186 T188 W198 F200V145-I153 HydrophobicContact CG1-CG2 4.2Å; T146-I153 WeakPolarHBondContact O-CA 3.34Å; V147-I153 HydrophobicContact CG1-CG1 4.1Å; V147-I153 HydrophobicContact CG1-CG2 4.28Å; I153-T166 CarbonylContact O-C 3.52Å; I153-T166 WeakPolarHBondContact O-CA 3.32Å; I153-I167 HydrophobicContact CB-CB 4.18Å; I153-I167 HydrophobicContact CB-CD1 4.38Å; I153-I167 HydrophobicContact CB-CG1 4.38Å; I153-I167 HydrophobicContact CD1-CD1 4.4Å; I153-I167 PolarHBondContact N-O 2.94Å; I153-I167 PolarHBondContact O-N 3.3Å; I153-A170 HydrophobicContact CD1-CB 3.68Å; I153-A170 HydrophobicContact CG1-CB 3.77Å; I153-L175 HydrophobicContact CD1-CD1 4.32Å; I153-L175 HydrophobicContact CG1-CD1 3.76Å; I153-I186 HydrophobicContact CD1-CD1 4.5Å; I153-I186 HydrophobicContact CG2-CD1 3.56Å; I153-T188 HydrophobicContact CD1-CG2 3.83Å; I153-T188 HydrophobicContact CG1-CG2 4.42Å; I153-W198 HydrophobicContact CD1-CD2 3.62Å; I153-W198 VanDerWaalsContact CD1-CE2 3.43Å; I153-W198 HydrophobicContact CD1-CE3 4.29Å; I153-W198 HydrophobicContact CD1-CG 3.79Å; I153-W198 HydrophobicContact CD1-CZ2 3.97Å; I153-F200 HydrophobicContact CG2-CE1 3.97Å; I153-F200 HydrophobicContact CG2-CZ 3.8Å
154N98Very high96.3Very high5 Ų543.6 Ų43.63%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-107.6139.4179.3-62.7-60.1000110.9A118 H119 V145 T146 F156 T166A118-N154 PolarHBondContact O-ND2 2.97Å; H119-N154 PolarHBondContact CE1-ND2 3.2Å; H119-N154 VanDerWaalsContact CE1-ND2 3.32Å; H119-N154 PolarHBondContact NE2-ND2 3.12Å; V145-N154 CarbonylContact C-O 3.57Å; V145-N154 VanDerWaalsContact CA-O 3.26Å; V145-N154 WeakPolarHBondContact CA-O 3.29Å; T146-N154 PolarHBondContact N-O 3.2Å; T146-N154 PolarHBondContact O-N 2.97Å; N154-F156 HydrophobicContact CB-CD2 4.02Å; N154-F156 HydrophobicContact CB-CE1 4.44Å; N154-F156 HydrophobicContact CB-CE2 3.38Å; N154-F156 HydrophobicContact CB-CZ 3.61Å; N154-T166 WeakPolarHBondContact OD1-CB 3.47Å; N154-T166 WeakPolarHBondContact OD1-CG2 3.44Å; N154-T166 PolarHBondContact OD1-OG1 3.18Å
155L97.8Very high96.2Very high8 Ų845.9 Ų45.94%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-110.6112164.7176.665.8000108.1E143 V145 V164 R165 F200E143-L155 HydrophobicContact CB-CD1 3.87Å; E143-L155 HydrophobicContact CG-CD1 4.12Å; V145-L155 HydrophobicContact CG2-CD1 3.76Å; L155-V164 HydrophobicContact CD2-CB 4.33Å; L155-V164 HydrophobicContact CD2-CG1 4.28Å; L155-V164 HydrophobicContact CG-CB 4.26Å; L155-V164 WeakPolarHBondContact O-CA 3.47Å; L155-V164 WeakPolarHBondContact O-CB 3.37Å; L155-V164 PolarHBondContact O-N 2.92Å; L155-R165 HydrophobicContact CB-CB 4.36Å; L155-R165 PolarHBondContact N-O 2.86Å; L155-R165 PolarHBondContact O-N 2.93Å; L155-F200 HydrophobicContact CB-CD1 3.84Å; L155-F200 HydrophobicContact CB-CD2 4.41Å; L155-F200 HydrophobicContact CB-CE1 3.65Å; L155-F200 HydrophobicContact CB-CE2 4.23Å; L155-F200 HydrophobicContact CB-CG 4.24Å; L155-F200 HydrophobicContact CB-CZ 3.85Å; L155-F200 HydrophobicContact CD1-CD2 4.39Å; L155-F200 HydrophobicContact CD1-CE2 4.23Å; L155-F200 HydrophobicContact CD2-CB 4.04Å; L155-F200 HydrophobicContact CD2-CD1 4.2Å; L155-F200 HydrophobicContact CD2-CD2 4.04Å; L155-F200 HydrophobicContact CD2-CG 3.84Å
156F97.9Very high96Very high5 Ų548 Ų482%0.02223%0.232CC..EExtended strand (participates in β ladder)trans-103.8159.6173.2-61.5-70000110.8W115 A118 E143 I144 T146 N154 A163W115-F156 HydrophobicContact CB-CE1 4.17Å; W115-F156 HydrophobicContact CB-CZ 4.12Å; W115-F156 AromaticContact CD1-CD1 3.76Å; W115-F156 AromaticContact CD1-CE1 3.55Å; W115-F156 AromaticContact CD2-CD1 3.74Å; W115-F156 HydrophobicContact CD2-CD1 3.74Å; W115-F156 HydrophobicContact CD2-CD2 4.38Å; W115-F156 AromaticContact CD2-CE1 3.93Å; W115-F156 HydrophobicContact CD2-CE1 3.93Å; W115-F156 AromaticContact CD2-CG 3.99Å; W115-F156 HydrophobicContact CD2-CG 3.99Å; W115-F156 HydrophobicContact CD2-CZ 4.33Å; W115-F156 AromaticContact CE2-CD1 3.44Å; W115-F156 VanDerWaalsContact CE2-CD1 3.44Å; W115-F156 AromaticContact CE2-CG 3.82Å; W115-F156 HydrophobicContact CE3-CD1 4.44Å; W115-F156 HydrophobicContact CE3-CD2 4.34Å; W115-F156 HydrophobicContact CE3-CG 4.24Å; W115-F156 AromaticContact CG-CD1 3.92Å; W115-F156 HydrophobicContact CG-CD1 3.92Å; W115-F156 AromaticContact CG-CE1 3.63Å; W115-F156 HydrophobicContact CG-CE1 3.63Å; W115-F156 HydrophobicContact CG-CZ 4.01Å; W115-F156 HydrophobicContact CH2-CB 3.77Å; W115-F156 HydrophobicContact CH2-CG 4.19Å; W115-F156 HydrophobicContact CZ2-CB 3.65Å; W115-F156 AromaticContact CZ2-CD1 3.9Å; W115-F156 HydrophobicContact CZ2-CD1 3.9Å; W115-F156 AromaticContact CZ2-CG 3.92Å; W115-F156 HydrophobicContact CZ2-CG 3.92Å; W115-F156 HydrophobicContact CZ3-CB 4.28Å; W115-F156 HydrophobicContact CZ3-CG 4.34Å; W115-F156 AromaticContact NE1-CD1 3.47Å; W115-F156 AromaticContact NE1-CE1 3.78Å; A118-F156 HydrophobicContact CB-CE2 4.05Å; A118-F156 HydrophobicContact CB-CZ 3.78Å; E143-F156 WeakPolarHBondContact CA-O 3.44Å; I144-F156 HydrophobicContact CB-CB 4.23Å; I144-F156 PolarHBondContact N-O 2.79Å; I144-F156 PolarHBondContact O-N 3.43Å; T146-F156 HydrophobicContact CG2-CD2 4.1Å; T146-F156 HydrophobicContact CG2-CE2 4.12Å; N154-F156 HydrophobicContact CB-CD2 4.02Å; N154-F156 HydrophobicContact CB-CE1 4.44Å; N154-F156 HydrophobicContact CB-CE2 3.38Å; N154-F156 HydrophobicContact CB-CZ 3.61Å; F156-A163 HydrophobicContact CD1-CB 3.89Å; F156-A163 HydrophobicContact CE1-CB 3.56Å; F156-A163 HydrophobicContact CZ-CB 4.34Å
157R95.8Very high95.9Very high99 Ų9948.2 Ų48.237%0.37423%0.233SC..EExtended strand (participates in β ladder)trans-126.6140.5162.1-80.8-179.562.6177.6-1.8108.1P142 E143 H160 V164P142-R157 WeakPolarHBondContact O-CA 3.37Å; E143-R157 HydrophobicContact CG-CG 4.31Å; R157-H160 HydrophobicContact CB-CB 4.32Å; R157-H160 WeakPolarHBondContact O-CB 3.38Å; R157-H160 PolarHBondContact O-N 3.27Å; R157-H160 VanDerWaalsContact O-N 3.12Å; R157-V164 HydrophobicContact CB-CG2 3.96Å; R157-V164 HydrophobicContact CG-CG2 3.8Å
158V90.1Very high95.6Very high7 Ų751.3 Ų51.34%0.04225%0.25CC..THydrogen-bonded Turntrans-59.7144.9171.4-173.60000108.6F83 R87 I144 H160F83-V158 HydrophobicContact CD1-CG2 4.24Å; F83-V158 HydrophobicContact CD2-CG2 4.29Å; F83-V158 HydrophobicContact CE1-CB 4.44Å; F83-V158 HydrophobicContact CE1-CG2 3.69Å; F83-V158 HydrophobicContact CE2-CG2 3.77Å; F83-V158 HydrophobicContact CG-CG2 4.49Å; F83-V158 HydrophobicContact CZ-CB 4.25Å; F83-V158 HydrophobicContact CZ-CG2 3.39Å; R87-V158 VanDerWaalsContact NH1-CG1 3.35Å; I144-V158 HydrophobicContact CD1-CG2 3.71Å; V158-H160 PolarHBondContact O-N 2.89Å
159D90.7Very high95.3Very high133 Ų13357.7 Ų57.771%0.71128%0.284SS*.THydrogen-bonded Turntrans75.8-9.4-172.6-45.5-49.1000115.4
160H94.9Very high95.2Very high78 Ų7854 Ų5436%0.36127%0.268SS..  trans-94.6122.4173.8-69.3-158.4000110.8Q113 W115 R157 V158 E162Q113-H160 PolarHBondContact NE2-O 3.24Å; W115-H160 PolarHBondContact NE1-O 3.22Å; R157-H160 HydrophobicContact CB-CB 4.32Å; R157-H160 WeakPolarHBondContact O-CB 3.38Å; R157-H160 PolarHBondContact O-N 3.27Å; R157-H160 VanDerWaalsContact O-N 3.12Å; V158-H160 PolarHBondContact O-N 2.89Å; H160-E162 VanDerWaalsContact C-N 3.34Å; H160-E162 PolarHBondContact O-N 2.85Å
161K93.5Very high95.1Very high184 Ų18453.7 Ų53.780%0.827%0.266SS*.SBendtrans-66.6-33.9-178.2-67.8-172.3178-175.60113.9W115W115-K161 PolarHBondContact NE1-O 2.86Å
162E94.9Very high95Very high153 Ų15359.6 Ų59.672%0.71531%0.307SS*.SBendtrans-107.8160-179.4-61.2-62.3155.300110H160 V164H160-E162 VanDerWaalsContact C-N 3.34Å; H160-E162 PolarHBondContact O-N 2.85Å; E162-V164 PolarHBondContact O-N 3.48Å
163A95.3Very high94.9Very high29 Ų2958.6 Ų58.624%0.2431%0.307CS..  trans-56137.2168.700000110.2F156 R165 T166F156-A163 HydrophobicContact CD1-CB 3.89Å; F156-A163 HydrophobicContact CE1-CB 3.56Å; F156-A163 HydrophobicContact CZ-CB 4.34Å; A163-R165 VanDerWaalsContact C-N 3.26Å; A163-T166 WeakPolarHBondContact CB-OG1 3.28Å
164V95.3Very high94.9Very high73 Ų7360.5 Ų60.544%0.44232%0.318SS..SBendtrans-65.2-39.8169.9179.80000109.2L155 R157 E162L155-V164 HydrophobicContact CD2-CB 4.33Å; L155-V164 HydrophobicContact CD2-CG1 4.28Å; L155-V164 HydrophobicContact CG-CB 4.26Å; L155-V164 WeakPolarHBondContact O-CA 3.47Å; L155-V164 WeakPolarHBondContact O-CB 3.37Å; L155-V164 PolarHBondContact O-N 2.92Å; R157-V164 HydrophobicContact CB-CG2 3.96Å; R157-V164 HydrophobicContact CG-CG2 3.8Å; E162-V164 PolarHBondContact O-N 3.48Å
165R95.3Very high94.9Very high47 Ų4760.3 Ų60.318%0.17732%0.317CS..EExtended strand (participates in β ladder)trans-152.3141.6173.4-175.6167-177.7-97.5-6.1110.1L155 A163 F200 Q202 G204L155-R165 HydrophobicContact CB-CB 4.36Å; L155-R165 PolarHBondContact N-O 2.86Å; L155-R165 PolarHBondContact O-N 2.93Å; A163-R165 VanDerWaalsContact C-N 3.26Å; R165-F200 HydrophobicContact CB-CD1 4.31Å; R165-F200 WeakPolarHBondContact CD-O 3.18Å; R165-F200 HydrophobicContact CG-CD1 4.27Å; R165-F200 PolarHBondContact NE-O 2.91Å; R165-Q202 PolarHBondContact NE-O 3.42Å; R165-Q202 PolarHBondContact NH2-O 2.76Å; R165-G204 PolarHBondContact NH2-O 2.94Å; R165-G204 VanDerWaalsContact NH2-O 3.12Å
166T95.9Very high94.9Very high46 Ų4662 Ų6228%0.28233%0.325SS..EExtended strand (participates in β ladder)trans-122.2131.2167.5-61.60000108.4I153 N154 A163 D168I153-T166 CarbonylContact O-C 3.52Å; I153-T166 WeakPolarHBondContact O-CA 3.32Å; N154-T166 WeakPolarHBondContact OD1-CB 3.47Å; N154-T166 WeakPolarHBondContact OD1-CG2 3.44Å; N154-T166 PolarHBondContact OD1-OG1 3.18Å; A163-T166 WeakPolarHBondContact CB-OG1 3.28Å; T166-D168 VanDerWaalsContact CG2-OD1 3.29Å; T166-D168 WeakPolarHBondContact CG2-OD1 3.31Å
167I96.5Very high95Very high3 Ų362.4 Ų62.42%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-96.197.5166.8-47-178.3000106.6R152 I153 A170 W198 F200R152-I167 WeakPolarHBondContact CA-O 3.49Å; I153-I167 HydrophobicContact CB-CB 4.18Å; I153-I167 HydrophobicContact CB-CD1 4.38Å; I153-I167 HydrophobicContact CB-CG1 4.38Å; I153-I167 HydrophobicContact CD1-CD1 4.4Å; I153-I167 PolarHBondContact N-O 2.94Å; I153-I167 PolarHBondContact O-N 3.3Å; I167-A170 HydrophobicContact CB-CB 4.09Å; I167-A170 HydrophobicContact CG2-CB 3.67Å; I167-W198 HydrophobicContact CD1-CB 4.39Å; I167-W198 HydrophobicContact CD1-CD2 4.47Å; I167-W198 HydrophobicContact CD1-CE3 3.99Å; I167-W198 HydrophobicContact CG2-CZ3 4.4Å; I167-F200 HydrophobicContact CD1-CD1 4.4Å; I167-F200 HydrophobicContact CD1-CE1 4.28Å; I167-F200 HydrophobicContact CG1-CE1 4.42Å
168D93.1Very high95.1Very high66 Ų6658 Ų5835%0.35331%0.313SS..THydrogen-bonded Turntrans-75.4141.6177.4-68.3-55.2000111R152 T166 A170 S205R152-D168 IonicContact CZ-OD1 3.85Å; R152-D168 VanDerWaalsContact CZ-OD1 3.3Å; R152-D168 IonicContact NE-OD1 3.57Å; R152-D168 IonicContact NH1-OD1 3.61Å; R152-D168 PolarHBondContact NH1-OD1 2.84Å; T166-D168 VanDerWaalsContact CG2-OD1 3.29Å; T166-D168 WeakPolarHBondContact CG2-OD1 3.31Å; D168-A170 PolarHBondContact O-N 3.24Å; D168-S205 PolarHBondContact O-OG 2.98Å
169N90.9Very high95.5Very high134 Ų13458.3 Ų58.372%0.71732%0.315SS*.THydrogen-bonded Turntrans49.540.7-177.8-51.2-68.9000112.3D171N169-D171 PolarHBondContact O-N 2.85Å
170A95.1Very high95.9Very high6 Ų652.9 Ų52.95%0.0529%0.285CS..  trans-63-36.1178.600000110.7G151 I153 I167 D168 W198G151-A170 WeakPolarHBondContact O-CB 3.42Å; G151-A170 PolarHBondContact O-N 2.82Å; I153-A170 HydrophobicContact CD1-CB 3.68Å; I153-A170 HydrophobicContact CG1-CB 3.77Å; I167-A170 HydrophobicContact CB-CB 4.09Å; I167-A170 HydrophobicContact CG2-CB 3.67Å; D168-A170 PolarHBondContact O-N 3.24Å; A170-W198 HydrophobicContact CB-CH2 3.73Å; A170-W198 HydrophobicContact CB-CZ2 4.02Å; A170-W198 HydrophobicContact CB-CZ3 4.11Å; A170-W198 WeakPolarHBondContact O-CH2 3.3Å
171D95.4Very high95.8Very high10 Ų1049.6 Ų49.65%0.05327%0.27CS..  trans-133.2142.5174.2-149.5-31.2000111.4G151 N169 S173 L175 N190 K196G151-D171 WeakPolarHBondContact CA-O 3.46Å; G151-D171 PolarHBondContact O-N 2.97Å; N169-D171 PolarHBondContact O-N 2.85Å; D171-S173 VanDerWaalsContact C-N 3.33Å; D171-S173 WeakPolarHBondContact CB-O 3.36Å; D171-S173 PolarHBondContact OD1-N 3.16Å; D171-L175 HydrophobicContact CB-CD1 4.44Å; D171-L175 HydrophobicContact CB-CD2 3.65Å; D171-L175 HydrophobicContact CB-CG 3.98Å; D171-N190 PolarHBondContact OD2-ND2 2.99Å; D171-K196 IonicContact OD1-NZ 2.63Å; D171-K196 PolarHBondContact OD1-NZ 3.25Å; D171-K196 WeakPolarHBondContact OD2-CD 3.44Å; D171-K196 VanDerWaalsContact OD2-CE 3.28Å; D171-K196 WeakPolarHBondContact OD2-CE 3.41Å; D171-K196 IonicContact OD2-NZ 3.42Å; D171-K196 PolarHBondContact OD2-NZ 2.92Å
172S93.2Very high95.7Very high125 Ų12547.9 Ų47.987%0.87426%0.259SS*.SBendtrans-86.1-12.3170.559.60000112.2
173S95.4Very high95.3Very high20 Ų2042.9 Ų42.914%0.1424%0.238CC..SBendtrans-103151.1172.7-53.70000109.9D171 L175D171-S173 VanDerWaalsContact C-N 3.33Å; D171-S173 WeakPolarHBondContact CB-O 3.36Å; D171-S173 PolarHBondContact OD1-N 3.16Å; S173-L175 PolarHBondContact O-N 3.16Å
174T97.4Very high95.1Very high40 Ų4042.7 Ų42.725%0.24524%0.235CC..PPolyproline II helixtrans-52.6124.6174.8-56.10000110.9E149 N190 S191E149-T174 HydrophobicContact CB-CG2 4.21Å; E149-T174 HydrophobicContact CG-CG2 3.85Å; T174-N190 CarbonylContact O-C 3.54Å; T174-N190 WeakPolarHBondContact O-CA 3.46Å; T174-N190 VanDerWaalsContact O-CB 3.26Å; T174-N190 WeakPolarHBondContact O-CB 3.35Å; T174-S191 PolarHBondContact N-OG 3.21Å; T174-S191 PolarHBondContact O-N 2.92Å
175L98.6Very high95.2Very high0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-80.5129.9168.6-64177.2000108.2T135 V147 I153 D171 S173 N190T135-L175 WeakPolarHBondContact CB-O 3.35Å; T135-L175 PolarHBondContact OG1-O 3.02Å; V147-L175 HydrophobicContact CB-CB 3.9Å; V147-L175 HydrophobicContact CB-CD1 3.94Å; V147-L175 HydrophobicContact CG1-CD1 4.01Å; V147-L175 HydrophobicContact CG2-CB 4.2Å; I153-L175 HydrophobicContact CD1-CD1 4.32Å; I153-L175 HydrophobicContact CG1-CD1 3.76Å; D171-L175 HydrophobicContact CB-CD1 4.44Å; D171-L175 HydrophobicContact CB-CD2 3.65Å; D171-L175 HydrophobicContact CB-CG 3.98Å; S173-L175 PolarHBondContact O-N 3.16Å; L175-N190 HydrophobicContact CD2-CB 4.12Å
176H98.7Very high95.3Very high44 Ų4439.8 Ų39.820%0.20422%0.219CC..EExtended strand (participates in β ladder)trans-102.8-41.8-177.8-72.9-52.4000112.8T135 V189 S191 L220 H221T135-H176 CarbonylContact C-O 3.48Å; H176-V189 PolarHBondContact N-O 2.84Å; H176-S191 PolarHBondContact CD2-N 3.43Å; H176-S191 WeakPolarHBondContact NE2-CA 3.23Å; H176-S191 VanDerWaalsContact NE2-CB 3.31Å; H176-S191 WeakPolarHBondContact NE2-CB 3.35Å; H176-L220 VanDerWaalsContact CB-O 3.28Å; H176-L220 WeakPolarHBondContact CB-O 3.15Å; H176-L220 PolarHBondContact CD2-O 2.82Å; H176-L220 VanDerWaalsContact CD2-O 3.25Å; H176-H221 AromaticContact CD2-ND1 3.99Å
177A98.8Very high95.4Very high14 Ų1437.6 Ų37.612%0.11621%0.205CC..EExtended strand (participates in β ladder)trans-148.9165179.600000112T188 V189 H221 V223A177-T188 WeakPolarHBondContact O-CA 3.28Å; A177-V189 HydrophobicContact CB-CG2 3.76Å; A177-V189 PolarHBondContact O-N 3.03Å; A177-H221 WeakPolarHBondContact CB-O 3.4Å; A177-V223 HydrophobicContact CB-CG1 4.01Å
178V98.8Very high95.5Very high6 Ų637.5 Ų37.54%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-141.6147.9-178.658.40000109.9V138 V145 V147 I186 V187 T188V138-V178 HydrophobicContact CG1-CG1 4.38Å; V138-V178 WeakPolarHBondContact CG1-O 3.19Å; V138-V178 HydrophobicContact CG2-CG1 3.98Å; V138-V178 HydrophobicContact CG2-CG2 4.18Å; V145-V178 HydrophobicContact CG1-CG2 3.84Å; V147-V178 HydrophobicContact CG1-CB 3.8Å; V147-V178 HydrophobicContact CG1-CG1 4.06Å; V147-V178 HydrophobicContact CG1-CG2 4.19Å; V147-V178 HydrophobicContact CG2-CB 4.03Å; V147-V178 HydrophobicContact CG2-CG1 3.9Å; V178-I186 HydrophobicContact CG2-CB 4.19Å; V178-I186 HydrophobicContact CG2-CD1 3.95Å; V178-V187 CarbonylContact C-O 3.54Å; V178-V187 VanDerWaalsContact CA-O 3.26Å; V178-V187 WeakPolarHBondContact CA-O 3.39Å; V178-V187 WeakPolarHBondContact CG2-O 3.45Å; V178-T188 HydrophobicContact CB-CG2 4.26Å; V178-T188 HydrophobicContact CG2-CG2 4.01Å
179T98.6Very high95.8Very high13 Ų1334.3 Ų34.38%0.0819%0.188CC..EExtended strand (participates in β ladder)trans-144.1155.1167.8-166.60000111.1I186 V187 V223 R225T179-I186 CarbonylContact O-C 3.48Å; T179-I186 VanDerWaalsContact O-CA 3.27Å; T179-I186 WeakPolarHBondContact O-CA 3.25Å; T179-I186 WeakPolarHBondContact O-CB 3.18Å; T179-V187 HydrophobicContact CG2-CB 4.37Å; T179-V187 PolarHBondContact N-O 2.72Å; T179-V187 PolarHBondContact O-N 2.77Å; T179-V223 HydrophobicContact CG2-CB 4.49Å; T179-V223 HydrophobicContact CG2-CG1 4.05Å; T179-V223 HydrophobicContact CG2-CG2 3.77Å; T179-R225 HydrophobicContact CG2-CB 4.12Å
180F97.7Very high96.2Very high19 Ų1928 Ų288%0.08315%0.154CC..EExtended strand (participates in β ladder)trans-72.8144.2169.8-76.8-79.4000109.9V138 D140 V145 T183 I186 R225V138-F180 HydrophobicContact CB-CD2 4.04Å; V138-F180 HydrophobicContact CB-CE2 4.11Å; V138-F180 HydrophobicContact CG2-CD2 3.64Å; V138-F180 HydrophobicContact CG2-CE2 3.62Å; V138-F180 HydrophobicContact CG2-CZ 4.47Å; D140-F180 HydrophobicContact CB-CD2 3.98Å; D140-F180 HydrophobicContact CB-CE1 4.45Å; D140-F180 HydrophobicContact CB-CE2 3.61Å; D140-F180 HydrophobicContact CB-CZ 3.87Å; V145-F180 HydrophobicContact CB-CZ 4.31Å; V145-F180 HydrophobicContact CG2-CE1 3.94Å; V145-F180 HydrophobicContact CG2-CE2 4.32Å; V145-F180 HydrophobicContact CG2-CZ 3.54Å; F180-T183 WeakPolarHBondContact CD1-OG1 3.39Å; F180-T183 HydrophobicContact CE1-CG2 4.37Å; F180-I186 HydrophobicContact CD1-CG2 3.63Å; F180-I186 HydrophobicContact CE1-CG2 3.83Å; F180-I186 HydrophobicContact CG-CG2 4.29Å; F180-R225 WeakPolarHBondContact O-CB 3.22Å; F180-R225 WeakPolarHBondContact O-CD 3.22Å
181L94.1Very high96.3Very high10 Ų1029.3 Ų29.35%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-92.8-60.5159.7-71.5175.9000109.3E185 V187 I197 R225 Q230 V233 V247L181-E185 HydrophobicContact CB-CB 4.46Å; L181-E185 PolarHBondContact N-O 2.94Å; L181-V187 HydrophobicContact CD1-CG2 3.46Å; L181-V187 VanDerWaalsContact CD1-CG2 3.46Å; L181-V187 HydrophobicContact CD2-CG2 3.53Å; L181-V187 HydrophobicContact CG-CG2 3.35Å; L181-I197 HydrophobicContact CD1-CD1 4.03Å; L181-I197 HydrophobicContact CD1-CG1 4.28Å; L181-I197 HydrophobicContact CD1-CG2 3.95Å; L181-R225 HydrophobicContact CD2-CG 4.41Å; L181-R225 VanDerWaalsContact O-CD 3.23Å; L181-R225 WeakPolarHBondContact O-CD 3.4Å; L181-R225 PolarHBondContact O-NH1 2.96Å; L181-Q230 VanDerWaalsContact CD2-O 3.26Å; L181-Q230 WeakPolarHBondContact CD2-O 3.2Å; L181-V233 HydrophobicContact CD2-CG1 3.7Å; L181-V247 HydrophobicContact CD1-CG2 4.44Å; L181-V247 HydrophobicContact CD2-CG1 4.36Å
182R89.9Confident96.4Very high148 Ų14830.7 Ų30.756%0.55817%0.17SC*.EExtended strand (participates in β ladder)trans-153.9120.8172.7172.8-166.2-65.1-177.60.3106.5E185R182-E185 PolarHBondContact N-O 3.23Å; R182-E185 WeakPolarHBondContact O-CA 3.19Å; R182-E185 VanDerWaalsContact O-CB 3.26Å; R182-E185 WeakPolarHBondContact O-CB 3.16Å; R182-E185 PolarHBondContact O-N 2.88Å
183T87.4Confident96.5Very high47 Ų4725 Ų2529%0.28813%0.131SC..THydrogen-bonded Turntrans-50.5125.4178.3-53.60000111.9D140 E143 F180D140-T183 WeakPolarHBondContact OD2-CB 3.39Å; D140-T183 PolarHBondContact OD2-OG1 2.92Å; E143-T183 WeakPolarHBondContact OE2-CG2 3.27Å; F180-T183 WeakPolarHBondContact CD1-OG1 3.39Å; F180-T183 HydrophobicContact CE1-CG2 4.37Å
184P91.9Very high96.6Very high26 Ų2626.2 Ų26.217%0.16914%0.135CC..THydrogen-bonded Turncis-101.528.811.441.3-36000115F200 R201P184-F200 HydrophobicContact CB-CB 4.3Å; P184-F200 HydrophobicContact CB-CD2 4.42Å; P184-F200 VanDerWaalsContact O-CD2 3.28Å; P184-F200 WeakPolarHBondContact O-CD2 3.49Å; P184-F200 PolarHBondContact O-N 2.99Å; P184-R201 HydrophobicContact CG-CG 3.82Å
185E96.2Very high96.6Very high59 Ų5924.3 Ų24.328%0.27612%0.123SC..EExtended strand (participates in β ladder)trans-93.1134.6175.6-59.2175.2116.800111.7L181 R182 W198 D199L181-E185 HydrophobicContact CB-CB 4.46Å; L181-E185 PolarHBondContact N-O 2.94Å; R182-E185 PolarHBondContact N-O 3.23Å; R182-E185 WeakPolarHBondContact O-CA 3.19Å; R182-E185 VanDerWaalsContact O-CB 3.26Å; R182-E185 WeakPolarHBondContact O-CB 3.16Å; R182-E185 PolarHBondContact O-N 2.88Å; E185-W198 CarbonylContact C-O 3.58Å; E185-W198 VanDerWaalsContact CA-O 3.22Å; E185-W198 WeakPolarHBondContact CA-O 3.46Å; E185-D199 HydrophobicContact CG-CB 4.17Å
186I98.1Very high96.6Very high0 Ų025.1 Ų25.10%013%0.126CC..EExtended strand (participates in β ladder)trans-129.6161.5-179.762.5166.5000111V145 I153 V178 T179 F180 T188 I197 W198 F200V145-I186 HydrophobicContact CG1-CD1 3.87Å; V145-I186 HydrophobicContact CG1-CG2 4.39Å; V145-I186 HydrophobicContact CG2-CG2 4.25Å; I153-I186 HydrophobicContact CD1-CD1 4.5Å; I153-I186 HydrophobicContact CG2-CD1 3.56Å; V178-I186 HydrophobicContact CG2-CB 4.19Å; V178-I186 HydrophobicContact CG2-CD1 3.95Å; T179-I186 CarbonylContact O-C 3.48Å; T179-I186 VanDerWaalsContact O-CA 3.27Å; T179-I186 WeakPolarHBondContact O-CA 3.25Å; T179-I186 WeakPolarHBondContact O-CB 3.18Å; F180-I186 HydrophobicContact CD1-CG2 3.63Å; F180-I186 HydrophobicContact CE1-CG2 3.83Å; F180-I186 HydrophobicContact CG-CG2 4.29Å; I186-T188 HydrophobicContact CD1-CG2 4.26Å; I186-I197 WeakPolarHBondContact O-CA 3.22Å; I186-W198 HydrophobicContact CD1-CB 4.14Å; I186-W198 HydrophobicContact CD1-CG 4.4Å; I186-W198 HydrophobicContact CG1-CB 3.7Å; I186-W198 HydrophobicContact CG1-CG 4.25Å; I186-W198 PolarHBondContact N-O 3.26Å; I186-W198 PolarHBondContact O-N 3.02Å; I186-F200 HydrophobicContact CD1-CE2 3.96Å; I186-F200 HydrophobicContact CD1-CZ 3.78Å; I186-F200 HydrophobicContact CG1-CE2 4.26Å; I186-F200 HydrophobicContact CG2-CE2 3.93Å
187V98.4Very high96.6Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-117.3136.6165.5-178.20000109.2V178 T179 L181 L195 K196 I197V178-V187 CarbonylContact C-O 3.54Å; V178-V187 VanDerWaalsContact CA-O 3.26Å; V178-V187 WeakPolarHBondContact CA-O 3.39Å; V178-V187 WeakPolarHBondContact CG2-O 3.45Å; T179-V187 HydrophobicContact CG2-CB 4.37Å; T179-V187 PolarHBondContact N-O 2.72Å; T179-V187 PolarHBondContact O-N 2.77Å; L181-V187 HydrophobicContact CD1-CG2 3.46Å; L181-V187 VanDerWaalsContact CD1-CG2 3.46Å; L181-V187 HydrophobicContact CD2-CG2 3.53Å; L181-V187 HydrophobicContact CG-CG2 3.35Å; V187-L195 HydrophobicContact CG1-CB 3.98Å; V187-L195 HydrophobicContact CG1-CD2 4.27Å; V187-L195 HydrophobicContact CG1-CG 4.36Å; V187-K196 CarbonylContact C-O 3.53Å; V187-K196 VanDerWaalsContact CA-O 3.3Å; V187-K196 WeakPolarHBondContact CA-O 3.36Å; V187-I197 HydrophobicContact CG2-CG1 4.08Å
188T98.8Very high96.5Very high0 Ų023 Ų230%011%0.114CC..EExtended strand (participates in β ladder)trans-113.8151.3168.563.10000110.8V147 I153 A177 V178 I186 L195 K196 W198V147-T188 HydrophobicContact CG1-CG2 3.85Å; I153-T188 HydrophobicContact CD1-CG2 3.83Å; I153-T188 HydrophobicContact CG1-CG2 4.42Å; A177-T188 WeakPolarHBondContact O-CA 3.28Å; V178-T188 HydrophobicContact CB-CG2 4.26Å; V178-T188 HydrophobicContact CG2-CG2 4.01Å; I186-T188 HydrophobicContact CD1-CG2 4.26Å; T188-L195 CarbonylContact O-C 3.56Å; T188-L195 VanDerWaalsContact O-CA 3.31Å; T188-L195 WeakPolarHBondContact O-CA 2.98Å; T188-K196 PolarHBondContact N-O 2.94Å; T188-K196 PolarHBondContact O-N 3.37Å; T188-W198 PolarHBondContact OG1-NE1 3.23Å
189V98.6Very high96.4Very high0 Ų023.4 Ų23.40%012%0.116CC..EExtended strand (participates in β ladder)trans-119.5149.6170.7-620000111.4H176 A177 Q194 L195 L220 V223 T235H176-V189 PolarHBondContact N-O 2.84Å; A177-V189 HydrophobicContact CB-CG2 3.76Å; A177-V189 PolarHBondContact O-N 3.03Å; V189-Q194 WeakPolarHBondContact CA-O 2.92Å; V189-L195 HydrophobicContact CG1-CG 3.91Å; V189-L220 HydrophobicContact CB-CB 3.79Å; V189-L220 HydrophobicContact CB-CD1 4.35Å; V189-L220 HydrophobicContact CG1-CB 4.35Å; V189-L220 HydrophobicContact CG1-CD1 4.19Å; V189-L220 HydrophobicContact CG2-CB 4.19Å; V189-V223 HydrophobicContact CG1-CB 3.82Å; V189-V223 HydrophobicContact CG1-CG1 4.13Å; V189-V223 HydrophobicContact CG1-CG2 4.25Å; V189-V223 HydrophobicContact CG2-CB 4.25Å; V189-V223 HydrophobicContact CG2-CG1 4.12Å; V189-T235 HydrophobicContact CG1-CG2 3.97Å
190N98.4Very high96.1Very high0 Ų023.5 Ų23.50%012%0.116CC..EExtended strand (participates in β ladder)trans-134.7174-170.575.610.7000114.4D171 T174 L175 I192 G193 Q194 L220D171-N190 PolarHBondContact OD2-ND2 2.99Å; T174-N190 CarbonylContact O-C 3.54Å; T174-N190 WeakPolarHBondContact O-CA 3.46Å; T174-N190 VanDerWaalsContact O-CB 3.26Å; T174-N190 WeakPolarHBondContact O-CB 3.35Å; L175-N190 HydrophobicContact CD2-CB 4.12Å; N190-I192 PolarHBondContact O-N 3.45Å; N190-I192 WeakPolarHBondContact OD1-CG1 3.39Å; N190-I192 PolarHBondContact OD1-N 3.42Å; N190-I192 VanDerWaalsContact OD1-N 3.13Å; N190-G193 PolarHBondContact O-N 3.44Å; N190-G193 PolarHBondContact OD1-N 2.91Å; N190-Q194 PolarHBondContact N-O 3.41Å; N190-Q194 PolarHBondContact ND2-OE1 2.9Å; N190-Q194 WeakPolarHBondContact OD1-CB 3.28Å; N190-Q194 PolarHBondContact OD1-N 2.92Å; N190-L220 PolarHBondContact O-N 2.82Å; N190-L220 VanDerWaalsContact O-N 3.13Å
191S97.8Very high95.9Very high34 Ų3430 Ų3024%0.23814%0.14CC..THydrogen-bonded Turntrans-68.8-1.1-176.563.20000115.7T174 H176 P219T174-S191 PolarHBondContact N-OG 3.21Å; T174-S191 PolarHBondContact O-N 2.92Å; H176-S191 PolarHBondContact CD2-N 3.43Å; H176-S191 WeakPolarHBondContact NE2-CA 3.23Å; H176-S191 VanDerWaalsContact NE2-CB 3.31Å; H176-S191 WeakPolarHBondContact NE2-CB 3.35Å; S191-P219 WeakPolarHBondContact O-CG 3.44Å
192I96.8Very high95.7Very high39 Ų3933.2 Ų33.220%0.215%0.154CC..THydrogen-bonded Turntrans-119.814.2177.661.9163.5000113N190 Q194 R217N190-I192 PolarHBondContact O-N 3.45Å; N190-I192 WeakPolarHBondContact OD1-CG1 3.39Å; N190-I192 PolarHBondContact OD1-N 3.42Å; N190-I192 VanDerWaalsContact OD1-N 3.13Å; I192-Q194 HydrophobicContact CD1-CG 4.13Å; I192-Q194 HydrophobicContact CG1-CG 4.04Å; I192-R217 HydrophobicContact CB-CB 4.3Å
193G96.9Very high95.3Very high7 Ų735.1 Ų35.17%0.07217%0.169CC..SBendtrans80.626.9172.100000115.1N190 S212 V218N190-G193 PolarHBondContact O-N 3.44Å; N190-G193 PolarHBondContact OD1-N 2.91Å; G193-S212 WeakPolarHBondContact O-CA 3.46Å; G193-S212 WeakPolarHBondContact O-CB 3.48Å; G193-V218 WeakPolarHBondContact CA-O 3.38Å; G193-V218 PolarHBondContact N-O 3.45Å; G193-V218 VanDerWaalsContact N-O 3.16Å
194Q97.3Very high95.3Very high45 Ų4534.8 Ų34.821%0.2118%0.175CC..EExtended strand (participates in β ladder)trans-104.4138.6177.7-59.8-179.1-34.600111.5V189 N190 I192 K196 I210 L211V189-Q194 WeakPolarHBondContact CA-O 2.92Å; N190-Q194 PolarHBondContact N-O 3.41Å; N190-Q194 PolarHBondContact ND2-OE1 2.9Å; N190-Q194 WeakPolarHBondContact OD1-CB 3.28Å; N190-Q194 PolarHBondContact OD1-N 2.92Å; I192-Q194 HydrophobicContact CD1-CG 4.13Å; I192-Q194 HydrophobicContact CG1-CG 4.04Å; Q194-K196 VanDerWaalsContact OE1-CE 3.25Å; Q194-I210 HydrophobicContact CB-CG2 4.17Å; Q194-I210 HydrophobicContact CG-CG2 4.25Å; Q194-L211 CarbonylContact C-O 3.52Å; Q194-L211 WeakPolarHBondContact CA-O 3.48Å
195L97.8Very high95.2Very high0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-96.2127.1160.9-65.974.1000107.4V187 T188 V189 I210 L211 L220 V233 T235 W245V187-L195 HydrophobicContact CG1-CB 3.98Å; V187-L195 HydrophobicContact CG1-CD2 4.27Å; V187-L195 HydrophobicContact CG1-CG 4.36Å; T188-L195 CarbonylContact O-C 3.56Å; T188-L195 VanDerWaalsContact O-CA 3.31Å; T188-L195 WeakPolarHBondContact O-CA 2.98Å; V189-L195 HydrophobicContact CG1-CG 3.91Å; L195-I210 CarbonylContact O-C 3.53Å; L195-I210 WeakPolarHBondContact O-CA 3.36Å; L195-L211 HydrophobicContact CB-CB 4.22Å; L195-L211 HydrophobicContact CB-CD1 4.46Å; L195-L211 PolarHBondContact N-O 2.6Å; L195-L211 PolarHBondContact O-N 2.87Å; L195-L220 HydrophobicContact CD1-CD1 3.48Å; L195-L220 VanDerWaalsContact CD1-CD1 3.48Å; L195-L220 HydrophobicContact CG-CD1 4.4Å; L195-V233 HydrophobicContact CD2-CG2 3.68Å; L195-T235 HydrophobicContact CD1-CG2 4.34Å; L195-T235 HydrophobicContact CD2-CG2 3.95Å; L195-T235 HydrophobicContact CG-CG2 4.22Å; L195-W245 HydrophobicContact CD1-CD2 3.87Å; L195-W245 VanDerWaalsContact CD1-CE2 3.43Å; L195-W245 HydrophobicContact CD1-CE3 4.15Å; L195-W245 HydrophobicContact CD1-CH2 3.69Å; L195-W245 HydrophobicContact CD1-CZ2 3.37Å; L195-W245 HydrophobicContact CD1-CZ3 4.05Å; L195-W245 HydrophobicContact CD2-CB 4.3Å; L195-W245 HydrophobicContact CD2-CD2 3.78Å; L195-W245 HydrophobicContact CD2-CE3 4.38Å; L195-W245 HydrophobicContact CD2-CG 3.7Å; L195-W245 HydrophobicContact CG-CD2 4.5Å
196K97.9Very high95Very high16 Ų1640.1 Ų40.17%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-120129.7176.7-68.6-175.8175.6171.80110.1D171 V187 T188 Q194 W198 P207 Q209 I210D171-K196 IonicContact OD1-NZ 2.63Å; D171-K196 PolarHBondContact OD1-NZ 3.25Å; D171-K196 WeakPolarHBondContact OD2-CD 3.44Å; D171-K196 VanDerWaalsContact OD2-CE 3.28Å; D171-K196 WeakPolarHBondContact OD2-CE 3.41Å; D171-K196 IonicContact OD2-NZ 3.42Å; D171-K196 PolarHBondContact OD2-NZ 2.92Å; V187-K196 CarbonylContact C-O 3.53Å; V187-K196 VanDerWaalsContact CA-O 3.3Å; V187-K196 WeakPolarHBondContact CA-O 3.36Å; T188-K196 PolarHBondContact N-O 2.94Å; T188-K196 PolarHBondContact O-N 3.37Å; Q194-K196 VanDerWaalsContact OE1-CE 3.25Å; K196-W198 HydrophobicContact CB-CZ2 3.83Å; K196-W198 HydrophobicContact CD-CH2 4.4Å; K196-W198 HydrophobicContact CD-CZ2 3.68Å; K196-W198 HydrophobicContact CG-CZ2 4.4Å; K196-W198 VanDerWaalsContact O-CD1 3.25Å; K196-W198 PolarHBondContact O-NE1 3.15Å; K196-P207 HydrophobicContact CB-CB 3.93Å; K196-P207 HydrophobicContact CD-CB 4.32Å; K196-P207 HydrophobicContact CD-CG 4.1Å; K196-P207 HydrophobicContact CG-CB 4.26Å; K196-P207 HydrophobicContact CG-CG 4.33Å; K196-Q209 WeakPolarHBondContact CA-O 3.41Å; K196-I210 HydrophobicContact CG-CG1 4.22Å; K196-I210 HydrophobicContact CG-CG2 4.38Å
197I97.8Very high95Very high10 Ų1041.2 Ų41.25%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-96.3133178.4-56.6-178000109.3L181 I186 V187 P207 C208 Q209 L211 V247L181-I197 HydrophobicContact CD1-CD1 4.03Å; L181-I197 HydrophobicContact CD1-CG1 4.28Å; L181-I197 HydrophobicContact CD1-CG2 3.95Å; I186-I197 WeakPolarHBondContact O-CA 3.22Å; V187-I197 HydrophobicContact CG2-CG1 4.08Å; I197-P207 CarbonylContact O-C 3.53Å; I197-P207 WeakPolarHBondContact O-CA 3.35Å; I197-C208 HydrophobicContact CB-CB 4.38Å; I197-C208 HydrophobicContact CG2-CB 4.31Å; I197-C208 WeakPolarHBondContact O-CB 3.5Å; I197-C208 PolarHBondContact O-N 3.16Å; I197-Q209 HydrophobicContact CB-CB 4.27Å; I197-Q209 HydrophobicContact CD1-CB 4.06Å; I197-Q209 HydrophobicContact CD1-CG 4.47Å; I197-Q209 HydrophobicContact CG1-CB 4.31Å; I197-Q209 PolarHBondContact N-O 2.97Å; I197-L211 HydrophobicContact CD1-CD1 4.14Å; I197-L211 HydrophobicContact CG1-CD1 4.38Å; I197-V247 HydrophobicContact CD1-CB 3.75Å; I197-V247 HydrophobicContact CD1-CG1 3.91Å; I197-V247 HydrophobicContact CD1-CG2 4.35Å
198W97.8Very high94.8Very high4 Ų443.9 Ų43.92%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-128.5150.2-178.4-4988.3000110.5I153 I167 A170 E185 I186 T188 K196 S205 P207I153-W198 HydrophobicContact CD1-CD2 3.62Å; I153-W198 VanDerWaalsContact CD1-CE2 3.43Å; I153-W198 HydrophobicContact CD1-CE3 4.29Å; I153-W198 HydrophobicContact CD1-CG 3.79Å; I153-W198 HydrophobicContact CD1-CZ2 3.97Å; I167-W198 HydrophobicContact CD1-CB 4.39Å; I167-W198 HydrophobicContact CD1-CD2 4.47Å; I167-W198 HydrophobicContact CD1-CE3 3.99Å; I167-W198 HydrophobicContact CG2-CZ3 4.4Å; A170-W198 HydrophobicContact CB-CH2 3.73Å; A170-W198 HydrophobicContact CB-CZ2 4.02Å; A170-W198 HydrophobicContact CB-CZ3 4.11Å; A170-W198 WeakPolarHBondContact O-CH2 3.3Å; E185-W198 CarbonylContact C-O 3.58Å; E185-W198 VanDerWaalsContact CA-O 3.22Å; E185-W198 WeakPolarHBondContact CA-O 3.46Å; I186-W198 HydrophobicContact CD1-CB 4.14Å; I186-W198 HydrophobicContact CD1-CG 4.4Å; I186-W198 HydrophobicContact CG1-CB 3.7Å; I186-W198 HydrophobicContact CG1-CG 4.25Å; I186-W198 PolarHBondContact N-O 3.26Å; I186-W198 PolarHBondContact O-N 3.02Å; T188-W198 PolarHBondContact OG1-NE1 3.23Å; K196-W198 HydrophobicContact CB-CZ2 3.83Å; K196-W198 HydrophobicContact CD-CH2 4.4Å; K196-W198 HydrophobicContact CD-CZ2 3.68Å; K196-W198 HydrophobicContact CG-CZ2 4.4Å; K196-W198 VanDerWaalsContact O-CD1 3.25Å; K196-W198 PolarHBondContact O-NE1 3.15Å; W198-S205 VanDerWaalsContact CZ3-O 3.31Å; W198-S205 WeakPolarHBondContact CZ3-O 3.33Å; W198-P207 HydrophobicContact CD2-CB 4.22Å; W198-P207 HydrophobicContact CE3-CB 4.16Å; W198-P207 HydrophobicContact CH2-CB 3.8Å; W198-P207 HydrophobicContact CH2-CG 4.09Å; W198-P207 HydrophobicContact CZ2-CB 3.91Å; W198-P207 HydrophobicContact CZ2-CG 4.43Å; W198-P207 HydrophobicContact CZ3-CB 3.95Å; W198-P207 HydrophobicContact CZ3-CG 4.48Å; W198-P207 VanDerWaalsContact CZ3-N 3.28Å
199D95.5Very high94.6Very high15 Ų1547.2 Ų47.28%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-130.1121.3173.4178.1-14.3000108.5E185 R201 Q202E185-D199 HydrophobicContact CG-CB 4.17Å; D199-R201 PolarHBondContact O-N 3.25Å; D199-R201 VanDerWaalsContact O-N 3.07Å; D199-R201 VanDerWaalsContact OD1-CB 3.23Å; D199-R201 WeakPolarHBondContact OD1-CB 3.19Å; D199-R201 WeakPolarHBondContact OD1-CG 3.27Å; D199-R201 IonicContact OD1-CZ 3.7Å; D199-R201 PolarHBondContact OD1-N 3.03Å; D199-R201 IonicContact OD1-NE 2.88Å; D199-R201 PolarHBondContact OD1-NE 3.42Å; D199-R201 IonicContact OD1-NH2 3.69Å; D199-R201 IonicContact OD2-CZ 3.23Å; D199-R201 VanDerWaalsContact OD2-CZ 3.23Å; D199-R201 IonicContact OD2-NE 3.01Å; D199-R201 PolarHBondContact OD2-NE 3.19Å; D199-R201 IonicContact OD2-NH2 2.67Å; D199-R201 PolarHBondContact OD2-NH2 2.85Å; D199-Q202 HydrophobicContact CB-CG 4.01Å; D199-Q202 WeakPolarHBondContact O-CB 3.26Å; D199-Q202 PolarHBondContact O-N 3.48Å; D199-Q202 VanDerWaalsContact O-N 3.07Å
200F93.8Very high94.5Very high15 Ų1550.5 Ų50.57%0.06626%0.261CS..THydrogen-bonded Turntrans-65.3-11.7-178-69-74000114.7V145 I153 L155 R165 I167 P184 I186V145-F200 HydrophobicContact CG1-CE2 4.39Å; V145-F200 HydrophobicContact CG1-CZ 4Å; V145-F200 HydrophobicContact CG2-CE2 3.63Å; V145-F200 HydrophobicContact CG2-CZ 3.86Å; I153-F200 HydrophobicContact CG2-CE1 3.97Å; I153-F200 HydrophobicContact CG2-CZ 3.8Å; L155-F200 HydrophobicContact CB-CD1 3.84Å; L155-F200 HydrophobicContact CB-CD2 4.41Å; L155-F200 HydrophobicContact CB-CE1 3.65Å; L155-F200 HydrophobicContact CB-CE2 4.23Å; L155-F200 HydrophobicContact CB-CG 4.24Å; L155-F200 HydrophobicContact CB-CZ 3.85Å; L155-F200 HydrophobicContact CD1-CD2 4.39Å; L155-F200 HydrophobicContact CD1-CE2 4.23Å; L155-F200 HydrophobicContact CD2-CB 4.04Å; L155-F200 HydrophobicContact CD2-CD1 4.2Å; L155-F200 HydrophobicContact CD2-CD2 4.04Å; L155-F200 HydrophobicContact CD2-CG 3.84Å; R165-F200 HydrophobicContact CB-CD1 4.31Å; R165-F200 WeakPolarHBondContact CD-O 3.18Å; R165-F200 HydrophobicContact CG-CD1 4.27Å; R165-F200 PolarHBondContact NE-O 2.91Å; I167-F200 HydrophobicContact CD1-CD1 4.4Å; I167-F200 HydrophobicContact CD1-CE1 4.28Å; I167-F200 HydrophobicContact CG1-CE1 4.42Å; P184-F200 HydrophobicContact CB-CB 4.3Å; P184-F200 HydrophobicContact CB-CD2 4.42Å; P184-F200 VanDerWaalsContact O-CD2 3.28Å; P184-F200 WeakPolarHBondContact O-CD2 3.49Å; P184-F200 PolarHBondContact O-N 2.99Å; I186-F200 HydrophobicContact CD1-CE2 3.96Å; I186-F200 HydrophobicContact CD1-CZ 3.78Å; I186-F200 HydrophobicContact CG1-CE2 4.26Å; I186-F200 HydrophobicContact CG2-CE2 3.93Å
201R92.5Very high94.4Very high156 Ų15650.5 Ų50.559%0.58926%0.261SS*.THydrogen-bonded Turntrans-80.4-19.2175.8-57.9169.4-65.8-168.90.8112.5P184 D199P184-R201 HydrophobicContact CG-CG 3.82Å; D199-R201 PolarHBondContact O-N 3.25Å; D199-R201 VanDerWaalsContact O-N 3.07Å; D199-R201 VanDerWaalsContact OD1-CB 3.23Å; D199-R201 WeakPolarHBondContact OD1-CB 3.19Å; D199-R201 WeakPolarHBondContact OD1-CG 3.27Å; D199-R201 IonicContact OD1-CZ 3.7Å; D199-R201 PolarHBondContact OD1-N 3.03Å; D199-R201 IonicContact OD1-NE 2.88Å; D199-R201 PolarHBondContact OD1-NE 3.42Å; D199-R201 IonicContact OD1-NH2 3.69Å; D199-R201 IonicContact OD2-CZ 3.23Å; D199-R201 VanDerWaalsContact OD2-CZ 3.23Å; D199-R201 IonicContact OD2-NE 3.01Å; D199-R201 PolarHBondContact OD2-NE 3.19Å; D199-R201 IonicContact OD2-NH2 2.67Å; D199-R201 PolarHBondContact OD2-NH2 2.85Å
202Q90.2Very high94.3Very high77 Ų7750.7 Ų50.736%0.3626%0.263SS..  trans-71.7148.9179.9-66.5-174.5800111R165 D199 C208R165-Q202 PolarHBondContact NE-O 3.42Å; R165-Q202 PolarHBondContact NH2-O 2.76Å; D199-Q202 HydrophobicContact CB-CG 4.01Å; D199-Q202 WeakPolarHBondContact O-CB 3.26Å; D199-Q202 PolarHBondContact O-N 3.48Å; D199-Q202 VanDerWaalsContact O-N 3.07Å; Q202-C208 PolarHBondContact NE2-SG 2.76Å; Q202-C208 PolarHBondContact OE1-SG 3.03Å
203Q81.8Confident93.9Very high187 Ų18751.4 Ų51.487%0.87427%0.267SS*.SBendtrans-93.4-4.3-176.1-65.4-67.9-52.200113.2
204G86.3Confident93Very high40 Ų4056.3 Ų56.341%0.41230%0.295SS..SBendtrans-102.9172.9-179.300000114.2R165R165-G204 PolarHBondContact NH2-O 2.94Å; R165-G204 VanDerWaalsContact NH2-O 3.12Å
205S90.1Very high91.9Very high51 Ų5157.3 Ų57.336%0.35732%0.318SS..SBendtrans-100.713.3172-580000113.3D168 W198D168-S205 PolarHBondContact O-OG 2.98Å; W198-S205 VanDerWaalsContact CZ3-O 3.31Å; W198-S205 WeakPolarHBondContact CZ3-O 3.33Å
206E93.8Very high90.7Very high147 Ų14763.2 Ų63.269%0.68735%0.349SS*.SBendtrans-97.4143.5178.3-61.3-59.3146.200110.6
207P96.2Very high90.2Very high23 Ų2371.3 Ų71.315%0.14938%0.379CS..  trans-71.6150176.730.6-35000111.3K196 I197 W198 Q209 I210K196-P207 HydrophobicContact CB-CB 3.93Å; K196-P207 HydrophobicContact CD-CB 4.32Å; K196-P207 HydrophobicContact CD-CG 4.1Å; K196-P207 HydrophobicContact CG-CB 4.26Å; K196-P207 HydrophobicContact CG-CG 4.33Å; I197-P207 CarbonylContact O-C 3.53Å; I197-P207 WeakPolarHBondContact O-CA 3.35Å; W198-P207 HydrophobicContact CD2-CB 4.22Å; W198-P207 HydrophobicContact CE3-CB 4.16Å; W198-P207 HydrophobicContact CH2-CB 3.8Å; W198-P207 HydrophobicContact CH2-CG 4.09Å; W198-P207 HydrophobicContact CZ2-CB 3.91Å; W198-P207 HydrophobicContact CZ2-CG 4.43Å; W198-P207 HydrophobicContact CZ3-CB 3.95Å; W198-P207 HydrophobicContact CZ3-CG 4.48Å; W198-P207 VanDerWaalsContact CZ3-N 3.28Å; P207-Q209 VanDerWaalsContact C-N 3.29Å; P207-Q209 PolarHBondContact O-N 3.39Å; P207-I210 HydrophobicContact CB-CG1 4.33Å; P207-I210 HydrophobicContact CG-CD1 3.76Å; P207-I210 HydrophobicContact CG-CG1 3.65Å
208C94.8Very high90.1Very high56 Ų5672.5 Ų72.538%0.37839%0.387SS..SBendtrans-65.2-37.1175.4-52.20000111.5I197 Q202I197-C208 HydrophobicContact CB-CB 4.38Å; I197-C208 HydrophobicContact CG2-CB 4.31Å; I197-C208 WeakPolarHBondContact O-CB 3.5Å; I197-C208 PolarHBondContact O-N 3.16Å; Q202-C208 PolarHBondContact NE2-SG 2.76Å; Q202-C208 PolarHBondContact OE1-SG 3.03Å
209Q95.9Very high90.1Very high69 Ų6973.7 Ų73.732%0.32240%0.395SS..EExtended strand (participates in β ladder)trans-155.9147-175.7-174.5175.2-18.700109.5K196 I197 P207 L211 V247K196-Q209 WeakPolarHBondContact CA-O 3.41Å; I197-Q209 HydrophobicContact CB-CB 4.27Å; I197-Q209 HydrophobicContact CD1-CB 4.06Å; I197-Q209 HydrophobicContact CD1-CG 4.47Å; I197-Q209 HydrophobicContact CG1-CB 4.31Å; I197-Q209 PolarHBondContact N-O 2.97Å; P207-Q209 VanDerWaalsContact C-N 3.29Å; P207-Q209 PolarHBondContact O-N 3.39Å; Q209-L211 HydrophobicContact CG-CD1 3.9Å; Q209-V247 PolarHBondContact NE2-O 2.94Å; Q209-V247 PolarHBondContact OE1-O 2.98Å
210I96.4Very high90.2Very high69 Ų6973.5 Ų73.535%0.35439%0.394SS..EExtended strand (participates in β ladder)trans-123.7129.2174.9-51.3-177.3000108.2Q194 L195 K196 P207Q194-I210 HydrophobicContact CB-CG2 4.17Å; Q194-I210 HydrophobicContact CG-CG2 4.25Å; L195-I210 CarbonylContact O-C 3.53Å; L195-I210 WeakPolarHBondContact O-CA 3.36Å; K196-I210 HydrophobicContact CG-CG1 4.22Å; K196-I210 HydrophobicContact CG-CG2 4.38Å; P207-I210 HydrophobicContact CB-CG1 4.33Å; P207-I210 HydrophobicContact CG-CD1 3.76Å; P207-I210 HydrophobicContact CG-CG1 3.65Å
211L96.3Very high90.5Very high1 Ų174.1 Ų74.11%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-119.4145.8171.3-54.486.5000108.3Q194 L195 I197 Q209 W245 T251Q194-L211 CarbonylContact C-O 3.52Å; Q194-L211 WeakPolarHBondContact CA-O 3.48Å; L195-L211 HydrophobicContact CB-CB 4.22Å; L195-L211 HydrophobicContact CB-CD1 4.46Å; L195-L211 PolarHBondContact N-O 2.6Å; L195-L211 PolarHBondContact O-N 2.87Å; I197-L211 HydrophobicContact CD1-CD1 4.14Å; I197-L211 HydrophobicContact CG1-CD1 4.38Å; Q209-L211 HydrophobicContact CG-CD1 3.9Å; L211-W245 HydrophobicContact CB-CE3 3.94Å; L211-W245 HydrophobicContact CB-CZ3 3.9Å; L211-W245 HydrophobicContact CD2-CE3 4.14Å; L211-T251 CarbonylContact C-O 3.59Å; L211-T251 WeakPolarHBondContact CA-O 3.49Å
212S94.6Very high90.8Very high38 Ų3867.1 Ų67.127%0.26637%0.372SS..EExtended strand (participates in β ladder)trans-166149.5-179.760.60000110.5G193 T251G193-S212 WeakPolarHBondContact O-CA 3.46Å; G193-S212 WeakPolarHBondContact O-CB 3.48Å; S212-T251 PolarHBondContact N-O 2.76Å; S212-T251 VanDerWaalsContact O-O 3.09Å
213L88.8Confident91.2Very high54 Ų5464.1 Ų64.128%0.28336%0.359SS..  trans-63.9138.9168.6-165.573.1000109.7M252 P253 L256L213-M252 HydrophobicContact CD1-CE 3.79Å; L213-M252 HydrophobicContact CG-CE 4.44Å; L213-P253 HydrophobicContact CD1-CG 3.78Å; L213-L256 HydrophobicContact CD1-CD2 4.26Å; L213-L256 HydrophobicContact CD2-CD2 4.42Å
214T77.3Confident92Very high110 Ų11056.8 Ų56.868%0.67533%0.326SS*.SBendtrans-75.9133.1179.6-33.10000110.1D216 M252T214-D216 PolarHBondContact O-N 3.07Å; T214-M252 PolarHBondContact N-SD 2.9Å; T214-M252 VanDerWaalsContact N-SD 3.35Å; T214-M252 WeakPolarHBondContact OG1-CE 3.46Å; T214-M252 PolarHBondContact OG1-SD 2.97Å
215G74.1Confident92.5Very high66 Ų6657.7 Ų57.768%0.6832%0.317SS*.SBendtrans96.4-83.1174.600000112.4R217G215-R217 PolarHBondContact O-N 2.94Å
216D72.9Confident92.9Very high123 Ų12355.5 Ų55.566%0.65830%0.301SS*.  trans-79.6121.3-171.9-68-24.8000111.7T214 V218T214-D216 PolarHBondContact O-N 3.07Å; D216-V218 VanDerWaalsContact C-N 3.28Å; D216-V218 HydrophobicContact CB-CG2 3.99Å; D216-V218 PolarHBondContact O-N 3.13Å; D216-V218 VanDerWaalsContact O-N 3.15Å
217R87.5Confident92.9Very high186 Ų18650.2 Ų50.270%0.70228%0.279SS*.  trans-87.567.5177.1-64-175.5-177.1-160.5-0.2109.9I192 G215I192-R217 HydrophobicContact CB-CB 4.3Å; G215-R217 PolarHBondContact O-N 2.94Å
218V95.4Very high92.8Very high35 Ų3554.7 Ų54.721%0.21230%0.302CS..  trans-80.4126.6178.3-1760000109G193 D216 L220 Q238 D239G193-V218 WeakPolarHBondContact CA-O 3.38Å; G193-V218 PolarHBondContact N-O 3.45Å; G193-V218 VanDerWaalsContact N-O 3.16Å; D216-V218 VanDerWaalsContact C-N 3.28Å; D216-V218 HydrophobicContact CB-CG2 3.99Å; D216-V218 PolarHBondContact O-N 3.13Å; D216-V218 VanDerWaalsContact O-N 3.15Å; V218-L220 PolarHBondContact O-N 3.09Å; V218-Q238 HydrophobicContact CG1-CB 3.8Å; V218-D239 HydrophobicContact CG1-CB 3.97Å
219P97.9Very high92.8Very high30 Ų3053.5 Ų53.520%0.19529%0.291CS..  trans-53.6139.1174.3-22.227.9000112.1S191 G237 Q238S191-P219 WeakPolarHBondContact O-CG 3.44Å; P219-G237 CarbonylContact O-C 3.55Å; P219-G237 WeakPolarHBondContact O-CA 2.86Å; P219-Q238 HydrophobicContact CB-CB 3.99Å; P219-Q238 HydrophobicContact CG-CB 3.96Å; P219-Q238 HydrophobicContact CG-CG 4.24Å; P219-Q238 PolarHBondContact O-N 3.2Å
220L98.4Very high92.7Very high11 Ų1153.7 Ų53.76%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-106.3124.2169.9-71.2174.6000108.7H176 V189 N190 L195 V218 T235 G236H176-L220 VanDerWaalsContact CB-O 3.28Å; H176-L220 WeakPolarHBondContact CB-O 3.15Å; H176-L220 PolarHBondContact CD2-O 2.82Å; H176-L220 VanDerWaalsContact CD2-O 3.25Å; V189-L220 HydrophobicContact CB-CB 3.79Å; V189-L220 HydrophobicContact CB-CD1 4.35Å; V189-L220 HydrophobicContact CG1-CB 4.35Å; V189-L220 HydrophobicContact CG1-CD1 4.19Å; V189-L220 HydrophobicContact CG2-CB 4.19Å; N190-L220 PolarHBondContact O-N 2.82Å; N190-L220 VanDerWaalsContact O-N 3.13Å; L195-L220 HydrophobicContact CD1-CD1 3.48Å; L195-L220 VanDerWaalsContact CD1-CD1 3.48Å; L195-L220 HydrophobicContact CG-CD1 4.4Å; V218-L220 PolarHBondContact O-N 3.09Å; L220-T235 HydrophobicContact CD1-CG2 4.44Å; L220-G236 WeakPolarHBondContact CA-O 3.4Å
221H98.6Very high92.6Very high28 Ų2852 Ų5213%0.1328%0.282CS..EExtended strand (participates in β ladder)trans-97-32.6-173.1-71.1-51.3000113.3H176 A177 G236 Q238 M264 W265H176-H221 AromaticContact CD2-ND1 3.99Å; A177-H221 WeakPolarHBondContact CB-O 3.4Å; H221-G236 PolarHBondContact N-O 3.23Å; H221-Q238 PolarHBondContact CE1-OE1 3.29Å; H221-Q238 PolarHBondContact NE2-OE1 2.82Å; H221-M264 WeakPolarHBondContact CB-O 3.22Å; H221-W265 HydrophobicContact CB-CE3 4.16Å; H221-W265 HydrophobicContact CB-CZ3 4.29Å; H221-W265 AromaticContact CD2-CZ3 3.68Å; H221-W265 AromaticContact CE1-CZ3 3.89Å; H221-W265 AromaticContact CG-CZ3 3.71Å; H221-W265 AromaticContact ND1-CZ3 3.88Å; H221-W265 AromaticContact NE2-CZ3 3.78Å
222C98.7Very high92.6Very high9 Ų952 Ų526%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-135.6155.3-17754.30000112.6T235 G236 M264 W265 V267C222-T235 WeakPolarHBondContact O-CA 3.18Å; C222-T235 WeakPolarHBondContact O-CB 3.48Å; C222-G236 PolarHBondContact O-N 3.44Å; C222-G236 VanDerWaalsContact SG-CA 3.53Å; C222-G236 PolarHBondContact SG-N 3.16Å; C222-G236 VanDerWaalsContact SG-N 3.43Å; C222-M264 PolarHBondContact SG-O 3.3Å; C222-W265 VanDerWaalsContact CB-O 3.28Å; C222-W265 WeakPolarHBondContact CB-O 3.31Å; C222-V267 HydrophobicContact CB-CG1 4.25Å
223V98.8Very high92.8Very high14 Ų1450.1 Ų50.19%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-147.1135.6174.761.20000110A177 T179 V189 V233 A234 T235A177-V223 HydrophobicContact CB-CG1 4.01Å; T179-V223 HydrophobicContact CG2-CB 4.49Å; T179-V223 HydrophobicContact CG2-CG1 4.05Å; T179-V223 HydrophobicContact CG2-CG2 3.77Å; V189-V223 HydrophobicContact CG1-CB 3.82Å; V189-V223 HydrophobicContact CG1-CG1 4.13Å; V189-V223 HydrophobicContact CG1-CG2 4.25Å; V189-V223 HydrophobicContact CG2-CB 4.25Å; V189-V223 HydrophobicContact CG2-CG1 4.12Å; V223-V233 HydrophobicContact CG2-CB 4.19Å; V223-A234 CarbonylContact C-O 3.56Å; V223-A234 VanDerWaalsContact CA-O 3.27Å; V223-A234 WeakPolarHBondContact CA-O 3.29Å; V223-T235 HydrophobicContact CB-CG2 4Å; V223-T235 HydrophobicContact CG2-CG2 3.8Å
224D98.7Very high93.2Very high33 Ų3347.6 Ų47.618%0.17626%0.256CS..EExtended strand (participates in β ladder)trans-136.2148.2170.8-175.335.2000111.4V233 A234 V267 H268 F269D224-V233 CarbonylContact O-C 3.56Å; D224-V233 VanDerWaalsContact O-CA 3.25Å; D224-V233 WeakPolarHBondContact O-CA 3.24Å; D224-A234 PolarHBondContact N-O 2.82Å; D224-A234 PolarHBondContact O-N 2.97Å; D224-V267 HydrophobicContact CB-CG1 4.26Å; D224-V267 WeakPolarHBondContact CB-O 3.48Å; D224-H268 WeakPolarHBondContact OD2-CA 3.33Å; D224-F269 PolarHBondContact OD2-N 3.31Å
225R98Very high94.3Very high59 Ų5942.3 Ų42.322%0.22322%0.224CC..EExtended strand (participates in β ladder)trans-102.9130.2-176.8-173.1-146.863.9166.1-3.1109.8T179 F180 L181 P227 V233T179-R225 HydrophobicContact CG2-CB 4.12Å; F180-R225 WeakPolarHBondContact O-CB 3.22Å; F180-R225 WeakPolarHBondContact O-CD 3.22Å; L181-R225 HydrophobicContact CD2-CG 4.41Å; L181-R225 VanDerWaalsContact O-CD 3.23Å; L181-R225 WeakPolarHBondContact O-CD 3.4Å; L181-R225 PolarHBondContact O-NH1 2.96Å; R225-P227 PolarHBondContact NH2-O 2.77Å; R225-V233 HydrophobicContact CB-CG1 4.23Å; R225-V233 HydrophobicContact CG-CG1 4.21Å
226H97.4Very high95.4Very high5 Ų539.2 Ų39.22%0.02319%0.191CC..  trans-53.4126.5173.4-172-68.4000111.3N228 Q229 V232 F269 P274 S328H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact ND1-N 2.93Å; H226-N228 PolarHBondContact O-N 2.84Å; H226-Q229 HydrophobicContact CB-CB 4.29Å; H226-Q229 PolarHBondContact ND1-N 3.23Å; H226-Q229 VanDerWaalsContact ND1-N 3.18Å; H226-Q229 PolarHBondContact O-N 2.82Å; H226-V232 HydrophobicContact CB-CB 3.75Å; H226-V232 HydrophobicContact CB-CG1 4.05Å; H226-V232 PolarHBondContact N-O 3.19Å; H226-F269 HydrophobicContact CB-CD2 4.25Å; H226-F269 HydrophobicContact CB-CE2 4.06Å; H226-F269 HydrophobicContact CB-CZ 4.23Å; H226-F269 AromaticContact CD2-CE1 3.85Å; H226-P274 WeakPolarHBondContact CE1-CG 3.48Å; H226-S328 PolarHBondContact NE2-OG 2.83Å
227P95Very high96.6Very high36 Ų3633.4 Ų33.423%0.23416%0.161CC..THydrogen-bonded Turntrans-63.4-35.9-169.221.6-33.3000113.1R225 P274R225-P227 PolarHBondContact NH2-O 2.77Å; P227-P274 HydrophobicContact CG-CB 3.68Å; P227-P274 HydrophobicContact CG-CG 4Å
228N94Very high97.1Very high117 Ų11728 Ų2863%0.62614%0.143SC*.THydrogen-bonded Turntrans-95.2-14.5-178.5-58-32.3000114.6H226H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact ND1-N 2.93Å; H226-N228 PolarHBondContact O-N 2.84Å
229Q93.8Very high97.1Very high31 Ų3129.5 Ų29.515%0.14515%0.151CC..  trans-129.592.5-170.8-65.8-173.442.900109.2H226 H231 V232 S328H226-Q229 HydrophobicContact CB-CB 4.29Å; H226-Q229 PolarHBondContact ND1-N 3.23Å; H226-Q229 VanDerWaalsContact ND1-N 3.18Å; H226-Q229 PolarHBondContact O-N 2.82Å; Q229-H231 PolarHBondContact O-N 3.27Å; Q229-V232 HydrophobicContact CB-CB 4.27Å; Q229-V232 HydrophobicContact CB-CG2 3.86Å; Q229-V232 PolarHBondContact O-N 3.13Å; Q229-S328 VanDerWaalsContact NE2-CA 3.3Å; Q229-S328 VanDerWaalsContact NE2-CB 3.31Å; Q229-S328 VanDerWaalsContact NE2-N 3.13Å
230Q93.6Very high97.1Very high72 Ų7228.1 Ų28.134%0.33614%0.142SC..THydrogen-bonded Turntrans-62.8-10.9-168.5-56.6-175.4-34.500115.3L181L181-Q230 VanDerWaalsContact CD2-O 3.26Å; L181-Q230 WeakPolarHBondContact CD2-O 3.2Å
231H94.8Very high97Very high34 Ų3430 Ų3016%0.15715%0.151CC..THydrogen-bonded Turntrans-100.9-4.3-179.355.9-87.2000112.9Q229 D246 V247 R248Q229-H231 PolarHBondContact O-N 3.27Å; H231-D246 IonicContact CD2-OD1 3.61Å; H231-D246 PolarHBondContact CD2-OD1 3.28Å; H231-D246 VanDerWaalsContact CD2-OD1 3.31Å; H231-D246 IonicContact CD2-OD2 3.3Å; H231-D246 IonicContact CG-OD1 3.47Å; H231-D246 WeakPolarHBondContact O-CA 3.15Å; H231-V247 HydrophobicContact CB-CG2 3.86Å; H231-V247 PolarHBondContact O-N 2.86Å; H231-R248 HydrophobicContact CB-CG 3.93Å; H231-R248 PolarHBondContact CD2-NE 3.24Å; H231-R248 VanDerWaalsContact CD2-NE 3.28Å; H231-R248 PolarHBondContact CD2-NH2 2.94Å; H231-R248 VanDerWaalsContact CG-CZ 3.45Å; H231-R248 VanDerWaalsContact CG-NE 3.29Å; H231-R248 VanDerWaalsContact NE2-CZ 3.27Å; H231-R248 PolarHBondContact NE2-NH2 3.22Å
232V96.6Very high97Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-103.1126.6-178.6-177.20000109.5H226 Q229 I244 W245 F269 L331H226-V232 HydrophobicContact CB-CB 3.75Å; H226-V232 HydrophobicContact CB-CG1 4.05Å; H226-V232 PolarHBondContact N-O 3.19Å; Q229-V232 HydrophobicContact CB-CB 4.27Å; Q229-V232 HydrophobicContact CB-CG2 3.86Å; Q229-V232 PolarHBondContact O-N 3.13Å; V232-I244 HydrophobicContact CG1-CG2 4.12Å; V232-W245 WeakPolarHBondContact CA-O 3.44Å; V232-F269 HydrophobicContact CG1-CZ 4.47Å; V232-L331 HydrophobicContact CG1-CD2 4.36Å; V232-L331 HydrophobicContact CG2-CD1 3.64Å; V232-L331 HydrophobicContact CG2-CD2 4.22Å; V232-L331 HydrophobicContact CG2-CG 4.08Å
233V98Very high96.9Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-130.5146.1174.7-610000110.3L181 L195 V223 D224 R225 W245 V247L181-V233 HydrophobicContact CD2-CG1 3.7Å; L195-V233 HydrophobicContact CD2-CG2 3.68Å; V223-V233 HydrophobicContact CG2-CB 4.19Å; D224-V233 CarbonylContact O-C 3.56Å; D224-V233 VanDerWaalsContact O-CA 3.25Å; D224-V233 WeakPolarHBondContact O-CA 3.24Å; R225-V233 HydrophobicContact CB-CG1 4.23Å; R225-V233 HydrophobicContact CG-CG1 4.21Å; V233-W245 HydrophobicContact CG2-CB 3.69Å; V233-W245 HydrophobicContact CG2-CG 4.09Å; V233-W245 PolarHBondContact N-O 3.37Å; V233-W245 PolarHBondContact O-N 2.86Å; V233-V247 HydrophobicContact CG2-CG1 4.39Å
234A98.4Very high96.8Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-110143.7171.300000109.2V223 D224 L242 S243 I244 V267 F269 L277V223-A234 CarbonylContact C-O 3.56Å; V223-A234 VanDerWaalsContact CA-O 3.27Å; V223-A234 WeakPolarHBondContact CA-O 3.29Å; D224-A234 PolarHBondContact N-O 2.82Å; D224-A234 PolarHBondContact O-N 2.97Å; A234-L242 HydrophobicContact CB-CD1 4.18Å; A234-S243 CarbonylContact C-O 3.59Å; A234-S243 WeakPolarHBondContact CA-O 3.48Å; A234-I244 HydrophobicContact CB-CD1 3.71Å; A234-V267 HydrophobicContact CB-CG1 4.39Å; A234-V267 HydrophobicContact CB-CG2 3.81Å; A234-F269 HydrophobicContact CB-CE2 3.58Å; A234-F269 HydrophobicContact CB-CZ 3.81Å; A234-L277 HydrophobicContact CB-CD1 4Å
235T98.7Very high96.7Very high0 Ų026.6 Ų26.60%013%0.133CC..EExtended strand (participates in β ladder)trans-136.4147.6177.362.70000111.5V189 L195 L220 C222 V223 S243 W245V189-T235 HydrophobicContact CG1-CG2 3.97Å; L195-T235 HydrophobicContact CD1-CG2 4.34Å; L195-T235 HydrophobicContact CD2-CG2 3.95Å; L195-T235 HydrophobicContact CG-CG2 4.22Å; L220-T235 HydrophobicContact CD1-CG2 4.44Å; C222-T235 WeakPolarHBondContact O-CA 3.18Å; C222-T235 WeakPolarHBondContact O-CB 3.48Å; V223-T235 HydrophobicContact CB-CG2 4Å; V223-T235 HydrophobicContact CG2-CG2 3.8Å; T235-S243 PolarHBondContact N-O 2.83Å; T235-S243 PolarHBondContact O-N 3.34Å; T235-S243 WeakPolarHBondContact OG1-CB 3.28Å; T235-W245 PolarHBondContact OG1-NE1 3.46Å
236G98.3Very high96.6Very high0 Ų023.8 Ų23.80%012%0.123CC..EExtended strand (participates in β ladder)trans-109.3136.3172.700000112.5L220 H221 C222 M264L220-G236 WeakPolarHBondContact CA-O 3.4Å; H221-G236 PolarHBondContact N-O 3.23Å; C222-G236 PolarHBondContact O-N 3.44Å; C222-G236 VanDerWaalsContact SG-CA 3.53Å; C222-G236 PolarHBondContact SG-N 3.16Å; C222-G236 VanDerWaalsContact SG-N 3.43Å; G236-M264 WeakPolarHBondContact CA-SD 3.48Å
237G97.5Very high96.4Very high2 Ų224.2 Ų24.22%0.02113%0.125CC..EExtended strand (participates in β ladder)trans-101.5166.3-17800000114.9P219 D239 G240 M241 M264P219-G237 CarbonylContact O-C 3.55Å; P219-G237 WeakPolarHBondContact O-CA 2.86Å; G237-D239 PolarHBondContact O-N 3.02Å; G237-G240 PolarHBondContact O-N 2.85Å; G237-G240 VanDerWaalsContact O-N 3.13Å; G237-M241 PolarHBondContact N-O 3.27Å; G237-M241 VanDerWaalsContact N-O 3.16Å; G237-M264 PolarHBondContact O-N 2.82Å
238Q98.2Very high96.4Very high71 Ų7130.1 Ų30.133%0.33214%0.143SC..THydrogen-bonded Turntrans-58.8-27.5167.9175.971.430.200112.9V218 P219 H221 G240 E263V218-Q238 HydrophobicContact CG1-CB 3.8Å; P219-Q238 HydrophobicContact CB-CB 3.99Å; P219-Q238 HydrophobicContact CG-CB 3.96Å; P219-Q238 HydrophobicContact CG-CG 4.24Å; P219-Q238 PolarHBondContact O-N 3.2Å; H221-Q238 PolarHBondContact CE1-OE1 3.29Å; H221-Q238 PolarHBondContact NE2-OE1 2.82Å; Q238-G240 VanDerWaalsContact C-N 3.26Å; Q238-E263 HydrophobicContact CG-CG 4.31Å; Q238-E263 VanDerWaalsContact NE2-CD 3.26Å; Q238-E263 PolarHBondContact NE2-OE1 2.86Å; Q238-E263 VanDerWaalsContact OE1-CG 3.23Å
239D96.9Very high96.1Very high68 Ų6829.4 Ų29.436%0.36414%0.136SC..THydrogen-bonded Turntrans-86.25.9178.163-8.4000113.5V218 G237 M241V218-D239 HydrophobicContact CG1-CB 3.97Å; G237-D239 PolarHBondContact O-N 3.02Å; D239-M241 HydrophobicContact CB-CG 4.43Å; D239-M241 VanDerWaalsContact CG-CG 3.41Å; D239-M241 PolarHBondContact O-N 3.13Å; D239-M241 WeakPolarHBondContact OD1-CB 3.37Å; D239-M241 WeakPolarHBondContact OD1-CG 3.22Å; D239-M241 PolarHBondContact OD1-N 3.32Å; D239-M241 VanDerWaalsContact OD1-N 3.08Å; D239-M241 WeakPolarHBondContact OD2-CG 3.27Å
240G97.3Very high95.7Very high1 Ų130.3 Ų30.31%0.0115%0.154CC..SBendtrans73.77.6-17800000114.5G237 Q238 A259 H260 A262G237-G240 PolarHBondContact O-N 2.85Å; G237-G240 VanDerWaalsContact O-N 3.13Å; Q238-G240 VanDerWaalsContact C-N 3.26Å; G240-A259 VanDerWaalsContact O-CB 3.27Å; G240-A259 WeakPolarHBondContact O-CB 3.34Å; G240-H260 PolarHBondContact O-N 2.84Å; G240-A262 WeakPolarHBondContact CA-O 3.32Å; G240-A262 PolarHBondContact N-O 3.44Å
241M96.8Very high95.7Very high50 Ų5030.8 Ų30.825%0.24616%0.162CC..EExtended strand (participates in β ladder)trans-78.2143.1179.5-66-79.4175.500112.1G237 D239 L256 K258G237-M241 PolarHBondContact N-O 3.27Å; G237-M241 VanDerWaalsContact N-O 3.16Å; D239-M241 HydrophobicContact CB-CG 4.43Å; D239-M241 VanDerWaalsContact CG-CG 3.41Å; D239-M241 PolarHBondContact O-N 3.13Å; D239-M241 WeakPolarHBondContact OD1-CB 3.37Å; D239-M241 WeakPolarHBondContact OD1-CG 3.22Å; D239-M241 PolarHBondContact OD1-N 3.32Å; D239-M241 VanDerWaalsContact OD1-N 3.08Å; D239-M241 WeakPolarHBondContact OD2-CG 3.27Å; M241-L256 HydrophobicContact CB-CD1 3.88Å; M241-L256 HydrophobicContact CG-CD1 4.33Å; M241-K258 HydrophobicContact CE-CB 4.27Å; M241-K258 HydrophobicContact CE-CG 4.15Å; M241-K258 VanDerWaalsContact SD-CA 3.53Å; M241-K258 HydrophobicContact SD-CB 4.04Å; M241-K258 HydrophobicContact SD-CG 4.32Å
242L97.6Very high95.6Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-93.9121166.7175.159.6000109.3A234 I244 L257 A259 M264 V267 L277 T279 W289A234-L242 HydrophobicContact CB-CD1 4.18Å; L242-I244 HydrophobicContact CD1-CD1 4.17Å; L242-I244 HydrophobicContact CD2-CD1 4.5Å; L242-I244 HydrophobicContact CG-CD1 4.22Å; L242-L257 HydrophobicContact CB-CB 4.26Å; L242-L257 HydrophobicContact CD2-CD1 4.11Å; L242-L257 PolarHBondContact N-O 3.32Å; L242-L257 PolarHBondContact O-N 3.13Å; L242-A259 HydrophobicContact CB-CB 4.35Å; L242-M264 HydrophobicContact CB-CE 4.01Å; L242-M264 HydrophobicContact CD1-SD 4.5Å; L242-V267 HydrophobicContact CD1-CG2 4Å; L242-L277 HydrophobicContact CD1-CD2 4.49Å; L242-L277 HydrophobicContact CD2-CD2 3.84Å; L242-T279 HydrophobicContact CD1-CG2 4.48Å; L242-W289 HydrophobicContact CD2-CD2 4.2Å; L242-W289 HydrophobicContact CD2-CE3 4.3Å; L242-W289 HydrophobicContact CD2-CH2 4.38Å; L242-W289 HydrophobicContact CD2-CZ2 4.26Å; L242-W289 HydrophobicContact CD2-CZ3 4.38Å
243S96.2Very high95.5Very high9 Ų933.4 Ų33.46%0.06318%0.177CC..EExtended strand (participates in β ladder)trans-112.1132.8174.8-57.10000111.3A234 T235 S255 L256A234-S243 CarbonylContact C-O 3.59Å; A234-S243 WeakPolarHBondContact CA-O 3.48Å; T235-S243 PolarHBondContact N-O 2.83Å; T235-S243 PolarHBondContact O-N 3.34Å; T235-S243 WeakPolarHBondContact OG1-CB 3.28Å; S243-S255 CarbonylContact C-O 3.53Å; S243-S255 WeakPolarHBondContact CA-O 3.43Å; S243-L256 WeakPolarHBondContact OG-CD1 3.3Å
244I96.7Very high95.2Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-110.2131.8174.5-51.6-59.5000109.2V232 A234 L242 P253 V254 S255 W330 L331V232-I244 HydrophobicContact CG1-CG2 4.12Å; A234-I244 HydrophobicContact CB-CD1 3.71Å; L242-I244 HydrophobicContact CD1-CD1 4.17Å; L242-I244 HydrophobicContact CD2-CD1 4.5Å; L242-I244 HydrophobicContact CG-CD1 4.22Å; I244-P253 CarbonylContact O-C 3.51Å; I244-P253 WeakPolarHBondContact O-CA 3.17Å; I244-P253 WeakPolarHBondContact O-CB 3.25Å; I244-V254 PolarHBondContact O-N 3.33Å; I244-S255 PolarHBondContact N-O 2.88Å; I244-S255 PolarHBondContact O-N 3.35Å; I244-W330 HydrophobicContact CD1-CE3 4.31Å; I244-W330 HydrophobicContact CG1-CE3 4.4Å; I244-W330 HydrophobicContact CG2-CB 4.11Å; I244-L331 HydrophobicContact CG2-CD2 4.15Å
245W96.7Very high94.8Very high3 Ų335.2 Ų35.21%0.01119%0.188CC..EExtended strand (participates in β ladder)trans-124.3138.4-175.2-4778.2000110.4L195 L211 V232 V233 T235 P253L195-W245 HydrophobicContact CD1-CD2 3.87Å; L195-W245 VanDerWaalsContact CD1-CE2 3.43Å; L195-W245 HydrophobicContact CD1-CE3 4.15Å; L195-W245 HydrophobicContact CD1-CH2 3.69Å; L195-W245 HydrophobicContact CD1-CZ2 3.37Å; L195-W245 HydrophobicContact CD1-CZ3 4.05Å; L195-W245 HydrophobicContact CD2-CB 4.3Å; L195-W245 HydrophobicContact CD2-CD2 3.78Å; L195-W245 HydrophobicContact CD2-CE3 4.38Å; L195-W245 HydrophobicContact CD2-CG 3.7Å; L195-W245 HydrophobicContact CG-CD2 4.5Å; L211-W245 HydrophobicContact CB-CE3 3.94Å; L211-W245 HydrophobicContact CB-CZ3 3.9Å; L211-W245 HydrophobicContact CD2-CE3 4.14Å; V232-W245 WeakPolarHBondContact CA-O 3.44Å; V233-W245 HydrophobicContact CG2-CB 3.69Å; V233-W245 HydrophobicContact CG2-CG 4.09Å; V233-W245 PolarHBondContact N-O 3.37Å; V233-W245 PolarHBondContact O-N 2.86Å; T235-W245 PolarHBondContact OG1-NE1 3.46Å; W245-P253 HydrophobicContact CD2-CB 3.88Å; W245-P253 HydrophobicContact CE3-CB 3.91Å; W245-P253 HydrophobicContact CH2-CB 4.06Å; W245-P253 HydrophobicContact CH2-CG 4.01Å; W245-P253 HydrophobicContact CZ2-CB 4.02Å; W245-P253 HydrophobicContact CZ2-CG 4.28Å; W245-P253 HydrophobicContact CZ3-CB 4.02Å; W245-P253 VanDerWaalsContact CZ3-CD 3.4Å; W245-P253 HydrophobicContact CZ3-CG 4.17Å; W245-P253 VanDerWaalsContact CZ3-N 3.33Å
246D95.4Very high94.5Very high1 Ų139 Ų391%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-106.1110.8159.4179.4-15.2000106.7H231 R248 Q249 V254 L331H231-D246 IonicContact CD2-OD1 3.61Å; H231-D246 PolarHBondContact CD2-OD1 3.28Å; H231-D246 VanDerWaalsContact CD2-OD1 3.31Å; H231-D246 IonicContact CD2-OD2 3.3Å; H231-D246 IonicContact CG-OD1 3.47Å; H231-D246 WeakPolarHBondContact O-CA 3.15Å; D246-R248 PolarHBondContact O-N 2.93Å; D246-R248 VanDerWaalsContact OD1-CB 3.28Å; D246-R248 WeakPolarHBondContact OD1-CB 3.45Å; D246-R248 WeakPolarHBondContact OD1-CG 3.37Å; D246-R248 IonicContact OD1-CZ 3.76Å; D246-R248 PolarHBondContact OD1-N 2.99Å; D246-R248 IonicContact OD1-NE 2.96Å; D246-R248 PolarHBondContact OD1-NE 2.84Å; D246-R248 IonicContact OD1-NH2 3.68Å; D246-R248 IonicContact OD2-CZ 3.55Å; D246-R248 IonicContact OD2-NE 3.57Å; D246-R248 PolarHBondContact OD2-NE 2.8Å; D246-R248 IonicContact OD2-NH2 2.78Å; D246-R248 PolarHBondContact OD2-NH2 3.03Å; D246-Q249 HydrophobicContact CB-CB 4.05Å; D246-Q249 HydrophobicContact CB-CG 4.01Å; D246-Q249 PolarHBondContact O-N 2.93Å; D246-Q249 WeakPolarHBondContact OD2-CG 3.47Å; D246-Q249 PolarHBondContact OD2-NE2 2.87Å; D246-V254 HydrophobicContact CB-CG2 3.89Å; D246-L331 HydrophobicContact CB-CD2 3.96Å
247V94.9Very high94.3Very high14 Ų1440.2 Ų40.29%0.08521%0.214CC..THydrogen-bonded Turntrans-62.7-14.3-175.3-58.50000113.3L181 I197 Q209 H231 V233L181-V247 HydrophobicContact CD1-CG2 4.44Å; L181-V247 HydrophobicContact CD2-CG1 4.36Å; I197-V247 HydrophobicContact CD1-CB 3.75Å; I197-V247 HydrophobicContact CD1-CG1 3.91Å; I197-V247 HydrophobicContact CD1-CG2 4.35Å; Q209-V247 PolarHBondContact NE2-O 2.94Å; Q209-V247 PolarHBondContact OE1-O 2.98Å; H231-V247 HydrophobicContact CB-CG2 3.86Å; H231-V247 PolarHBondContact O-N 2.86Å; V233-V247 HydrophobicContact CG2-CG1 4.39Å
248R93.4Very high94.2Very high160 Ų16046.4 Ų46.460%0.60424%0.24SC*.THydrogen-bonded Turntrans-86.6-15.4175.5-51.2168-58.4173.26.5112.3H231 D246H231-R248 HydrophobicContact CB-CG 3.93Å; H231-R248 PolarHBondContact CD2-NE 3.24Å; H231-R248 VanDerWaalsContact CD2-NE 3.28Å; H231-R248 PolarHBondContact CD2-NH2 2.94Å; H231-R248 VanDerWaalsContact CG-CZ 3.45Å; H231-R248 VanDerWaalsContact CG-NE 3.29Å; H231-R248 VanDerWaalsContact NE2-CZ 3.27Å; H231-R248 PolarHBondContact NE2-NH2 3.22Å; D246-R248 PolarHBondContact O-N 2.93Å; D246-R248 VanDerWaalsContact OD1-CB 3.28Å; D246-R248 WeakPolarHBondContact OD1-CB 3.45Å; D246-R248 WeakPolarHBondContact OD1-CG 3.37Å; D246-R248 IonicContact OD1-CZ 3.76Å; D246-R248 PolarHBondContact OD1-N 2.99Å; D246-R248 IonicContact OD1-NE 2.96Å; D246-R248 PolarHBondContact OD1-NE 2.84Å; D246-R248 IonicContact OD1-NH2 3.68Å; D246-R248 IonicContact OD2-CZ 3.55Å; D246-R248 IonicContact OD2-NE 3.57Å; D246-R248 PolarHBondContact OD2-NE 2.8Å; D246-R248 IonicContact OD2-NH2 2.78Å; D246-R248 PolarHBondContact OD2-NH2 3.03Å
249Q87.9Confident94Very high101 Ų10143.2 Ų43.247%0.47223%0.227SC..SBendtrans-109.387-172.2-64.5-171.124.400111.8D246D246-Q249 HydrophobicContact CB-CB 4.05Å; D246-Q249 HydrophobicContact CB-CG 4.01Å; D246-Q249 PolarHBondContact O-N 2.93Å; D246-Q249 WeakPolarHBondContact OD2-CG 3.47Å; D246-Q249 PolarHBondContact OD2-NE2 2.87Å
250G86.8Confident94.1Very high51 Ų5140.2 Ų40.253%0.52621%0.21SC..  trans64.2-156.3172.700000113.5
251T92.6Very high94.1Very high81 Ų8147 Ų4750%0.49724%0.242SC..SBendtrans-114.82.8-175.560.50000113.1L211 S212L211-T251 CarbonylContact C-O 3.59Å; L211-T251 WeakPolarHBondContact CA-O 3.49Å; S212-T251 PolarHBondContact N-O 2.76Å; S212-T251 VanDerWaalsContact O-O 3.09Å
252M93.1Very high94.1Very high67 Ų6745.6 Ų45.633%0.3324%0.238SC..SBendtrans-115.2154.7-172.4-71.6-63.2-74.500110.4L213 T214L213-M252 HydrophobicContact CD1-CE 3.79Å; L213-M252 HydrophobicContact CG-CE 4.44Å; T214-M252 PolarHBondContact N-SD 2.9Å; T214-M252 VanDerWaalsContact N-SD 3.35Å; T214-M252 WeakPolarHBondContact OG1-CE 3.46Å; T214-M252 PolarHBondContact OG1-SD 2.97Å
253P93.3Very high94.2Very high23 Ų2347.7 Ų47.715%0.14925%0.248CC..  trans-65.9145.2175.627.8-31.7000110.3L213 I244 W245L213-P253 HydrophobicContact CD1-CG 3.78Å; I244-P253 CarbonylContact O-C 3.51Å; I244-P253 WeakPolarHBondContact O-CA 3.17Å; I244-P253 WeakPolarHBondContact O-CB 3.25Å; W245-P253 HydrophobicContact CD2-CB 3.88Å; W245-P253 HydrophobicContact CE3-CB 3.91Å; W245-P253 HydrophobicContact CH2-CB 4.06Å; W245-P253 HydrophobicContact CH2-CG 4.01Å; W245-P253 HydrophobicContact CZ2-CB 4.02Å; W245-P253 HydrophobicContact CZ2-CG 4.28Å; W245-P253 HydrophobicContact CZ3-CB 4.02Å; W245-P253 VanDerWaalsContact CZ3-CD 3.4Å; W245-P253 HydrophobicContact CZ3-CG 4.17Å; W245-P253 VanDerWaalsContact CZ3-N 3.33Å
254V92.3Very high94.3Very high32 Ų3247.3 Ų47.319%0.19425%0.245CC..SBendtrans-72.8-36.2173.4178.50000110.1I244 D246 L331I244-V254 PolarHBondContact O-N 3.33Å; D246-V254 HydrophobicContact CB-CG2 3.89Å; V254-L331 HydrophobicContact CB-CD2 4.17Å; V254-L331 HydrophobicContact CG1-CD2 4.11Å; V254-L331 HydrophobicContact CG2-CD2 4.07Å
255S90.8Very high94.4Very high6 Ų650.8 Ų50.84%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-136.2139.1176.2-64.30000110.9S243 I244 K337S243-S255 CarbonylContact C-O 3.53Å; S243-S255 WeakPolarHBondContact CA-O 3.43Å; I244-S255 PolarHBondContact N-O 2.88Å; I244-S255 PolarHBondContact O-N 3.35Å; S255-K337 WeakPolarHBondContact OG-CE 3.32Å; S255-K337 PolarHBondContact OG-NZ 3.08Å
256L92.8Very high94.5Very high80 Ų8051.1 Ų51.142%0.41926%0.26SS..EExtended strand (participates in β ladder)trans-125117.7169.1-177.266000107L213 M241 S243L213-L256 HydrophobicContact CD1-CD2 4.26Å; L213-L256 HydrophobicContact CD2-CD2 4.42Å; M241-L256 HydrophobicContact CB-CD1 3.88Å; M241-L256 HydrophobicContact CG-CD1 4.33Å; S243-L256 WeakPolarHBondContact OG-CD1 3.3Å
257L93.4Very high94.7Very high25 Ų2551.2 Ų51.213%0.13126%0.261CS..EExtended strand (participates in β ladder)trans-121.2128.8-171.7-57.2173.4000109L242 A259 W289 W330 K337 I340L242-L257 HydrophobicContact CB-CB 4.26Å; L242-L257 HydrophobicContact CD2-CD1 4.11Å; L242-L257 PolarHBondContact N-O 3.32Å; L242-L257 PolarHBondContact O-N 3.13Å; L257-A259 PolarHBondContact O-N 3.28Å; L257-W289 HydrophobicContact CB-CZ3 4.4Å; L257-W289 HydrophobicContact CD1-CZ3 4.24Å; L257-W330 HydrophobicContact CD1-CZ3 4.45Å; L257-K337 HydrophobicContact CD2-CD 4.38Å; L257-I340 HydrophobicContact CD1-CD1 4.21Å
258K94.3Very high94.8Very high131 Ų13152 Ų5257%0.5726%0.263SS*.EExtended strand (participates in β ladder)trans-69.6120.2171.1-170.6-179.4177.9-167.80108.5M241 E261M241-K258 HydrophobicContact CE-CB 4.27Å; M241-K258 HydrophobicContact CE-CG 4.15Å; M241-K258 VanDerWaalsContact SD-CA 3.53Å; M241-K258 HydrophobicContact SD-CB 4.04Å; M241-K258 HydrophobicContact SD-CG 4.32Å; K258-E261 WeakPolarHBondContact CE-OE1 2.93Å; K258-E261 IonicContact NZ-OE1 2.66Å; K258-E261 PolarHBondContact NZ-OE1 2.84Å; K258-E261 IonicContact NZ-OE2 2.97Å
259A95.4Very high95.1Very high5 Ų544.6 Ų44.64%0.04124%0.235CC..  trans-116.3-83.7179.700000109.7G240 L242 L257 M264 W287 W289G240-A259 VanDerWaalsContact O-CB 3.27Å; G240-A259 WeakPolarHBondContact O-CB 3.34Å; L242-A259 HydrophobicContact CB-CB 4.35Å; L257-A259 PolarHBondContact O-N 3.28Å; A259-M264 HydrophobicContact CB-CE 3.67Å; A259-W287 HydrophobicContact CB-CE3 4.45Å; A259-W287 HydrophobicContact CB-CZ3 4.3Å; A259-W287 WeakPolarHBondContact O-CH2 3.4Å; A259-W287 VanDerWaalsContact O-CZ3 3.22Å; A259-W287 WeakPolarHBondContact O-CZ3 2.9Å; A259-W289 HydrophobicContact CB-CH2 3.6Å; A259-W289 HydrophobicContact CB-CZ2 3.33Å
260H97.7Very high95.6Very high4 Ų440 Ų402%0.01921%0.214CC..  trans-101168.4-167.6-59.3-49.9000112.7G240 M264 T279 S281 D283 S285 W287G240-H260 PolarHBondContact O-N 2.84Å; H260-M264 VanDerWaalsContact CD2-CE 3.46Å; H260-M264 WeakPolarHBondContact CD2-CE 3.26Å; H260-T279 WeakPolarHBondContact NE2-CB 3.38Å; H260-T279 PolarHBondContact NE2-OG1 2.96Å; H260-S281 WeakPolarHBondContact CB-OG 3.43Å; H260-D283 WeakPolarHBondContact CB-OD2 3.46Å; H260-S285 PolarHBondContact CE1-OG 3.06Å; H260-S285 PolarHBondContact ND1-OG 2.86Å; H260-W287 AromaticContact CE1-CD1 3.83Å; H260-W287 AromaticContact CE1-CD2 3.61Å; H260-W287 AromaticContact CE1-CE2 3.95Å; H260-W287 AromaticContact CE1-CG 3.55Å; H260-W287 AromaticContact ND1-CD2 3.85Å; H260-W287 AromaticContact ND1-CE2 3.81Å
261E97.5Very high96Very high144 Ų14440.5 Ų40.567%0.67321%0.208SC*.SBendtrans-96.3-2.9176.7-63.2-68.8145.200112.6K258 D283K258-E261 WeakPolarHBondContact CE-OE1 2.93Å; K258-E261 IonicContact NZ-OE1 2.66Å; K258-E261 PolarHBondContact NZ-OE1 2.84Å; K258-E261 IonicContact NZ-OE2 2.97Å; E261-D283 PolarHBondContact N-OD2 3.24Å
262A98.1Very high96Very high21 Ų2141 Ų4117%0.17422%0.215CC..SBendtrans-144.8-174.7175.700000110.8G240 M264 S281 E282 D283G240-A262 WeakPolarHBondContact CA-O 3.32Å; G240-A262 PolarHBondContact N-O 3.44Å; A262-M264 PolarHBondContact O-N 2.98Å; A262-S281 PolarHBondContact O-OG 3.34Å; A262-E282 HydrophobicContact CB-CB 3.88Å; A262-E282 HydrophobicContact CB-CG 4.35Å; A262-D283 HydrophobicContact CB-CB 3.91Å
263E98.6Very high96.1Very high44 Ų4440.8 Ų40.821%0.20622%0.215CC..  trans-49.6134.9-176.1-63.387.4156.500112.5Q238 W265 S281 E282Q238-E263 HydrophobicContact CG-CG 4.31Å; Q238-E263 VanDerWaalsContact NE2-CD 3.26Å; Q238-E263 PolarHBondContact NE2-OE1 2.86Å; Q238-E263 VanDerWaalsContact OE1-CG 3.23Å; E263-W265 HydrophobicContact CB-CD2 4.43Å; E263-W265 HydrophobicContact CB-CH2 3.91Å; E263-W265 HydrophobicContact CB-CZ2 3.84Å; E263-W265 HydrophobicContact CB-CZ3 4.26Å; E263-W265 HydrophobicContact CG-CH2 4.05Å; E263-W265 HydrophobicContact CG-CZ2 4.24Å; E263-S281 CarbonylContact O-C 3.54Å; E263-S281 WeakPolarHBondContact O-CA 3.05Å; E263-S281 VanDerWaalsContact O-CB 3.3Å; E263-S281 WeakPolarHBondContact O-CB 3.31Å; E263-S281 PolarHBondContact O-OG 2.91Å; E263-E282 HydrophobicContact CB-CB 4.08Å; E263-E282 PolarHBondContact O-N 3.28Å
264M98.8Very high96.1Very high0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-92.7111.9172-176.5-179.5-62.300110.2H221 C222 G236 G237 L242 A259 H260 A262 V267 T279 C280H221-M264 WeakPolarHBondContact CB-O 3.22Å; C222-M264 PolarHBondContact SG-O 3.3Å; G236-M264 WeakPolarHBondContact CA-SD 3.48Å; G237-M264 PolarHBondContact O-N 2.82Å; L242-M264 HydrophobicContact CB-CE 4.01Å; L242-M264 HydrophobicContact CD1-SD 4.5Å; A259-M264 HydrophobicContact CB-CE 3.67Å; H260-M264 VanDerWaalsContact CD2-CE 3.46Å; H260-M264 WeakPolarHBondContact CD2-CE 3.26Å; A262-M264 PolarHBondContact O-N 2.98Å; M264-V267 HydrophobicContact SD-CB 4.42Å; M264-T279 HydrophobicContact CE-CG2 3.86Å; M264-T279 HydrophobicContact SD-CG2 3.56Å; M264-T279 VanDerWaalsContact SD-CG2 3.56Å; M264-C280 WeakPolarHBondContact CA-O 3.5Å
265W98.8Very high96.1Very high73 Ų7341.1 Ų41.128%0.27722%0.215SC..EExtended strand (participates in β ladder)trans-82.3-40-173.4-68.7134.3000114.3H221 C222 E263 C280 E282 S352H221-W265 HydrophobicContact CB-CE3 4.16Å; H221-W265 HydrophobicContact CB-CZ3 4.29Å; H221-W265 AromaticContact CD2-CZ3 3.68Å; H221-W265 AromaticContact CE1-CZ3 3.89Å; H221-W265 AromaticContact CG-CZ3 3.71Å; H221-W265 AromaticContact ND1-CZ3 3.88Å; H221-W265 AromaticContact NE2-CZ3 3.78Å; C222-W265 VanDerWaalsContact CB-O 3.28Å; C222-W265 WeakPolarHBondContact CB-O 3.31Å; E263-W265 HydrophobicContact CB-CD2 4.43Å; E263-W265 HydrophobicContact CB-CH2 3.91Å; E263-W265 HydrophobicContact CB-CZ2 3.84Å; E263-W265 HydrophobicContact CB-CZ3 4.26Å; E263-W265 HydrophobicContact CG-CH2 4.05Å; E263-W265 HydrophobicContact CG-CZ2 4.24Å; W265-C280 PolarHBondContact N-O 3.4Å; W265-E282 HydrophobicContact CZ2-CB 4.24Å; W265-E282 HydrophobicContact CZ2-CG 4.48Å; W265-E282 PolarHBondContact NE1-OE2 3.21Å; W265-S352 PolarHBondContact NE1-OG 3Å
266E98.9Very high96.4Very high10 Ų1041.5 Ų41.55%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-139.8149.5176.1-64.7-171.5179.500111.5K15 R17 H268 T279 C280 S355 L356K15-E266 WeakPolarHBondContact CD-OE1 3.44Å; K15-E266 WeakPolarHBondContact CE-OE1 3.35Å; K15-E266 IonicContact NZ-OE1 2.82Å; K15-E266 PolarHBondContact NZ-OE1 2.87Å; R17-E266 IonicContact CZ-OE1 2.76Å; R17-E266 IonicContact CZ-OE2 3.76Å; R17-E266 IonicContact NH1-OE1 3.33Å; R17-E266 PolarHBondContact NH1-OE1 2.81Å; R17-E266 IonicContact NH1-OE2 3.99Å; R17-E266 PolarHBondContact NH1-OE2 2.8Å; R17-E266 IonicContact NH2-OE1 3.94Å; R17-E266 PolarHBondContact NH2-OE1 3.47Å; R17-E266 IonicContact NH2-OE2 3.34Å; R17-E266 PolarHBondContact NH2-OE2 2.82Å; E266-H268 IonicContact OE2-CD2 2.73Å; E266-H268 IonicContact OE2-NE2 3.07Å; E266-H268 PolarHBondContact OE2-NE2 2.91Å; E266-T279 WeakPolarHBondContact O-CA 3.39Å; E266-C280 PolarHBondContact O-N 3.33Å; E266-C280 VanDerWaalsContact O-N 3.16Å; E266-S355 VanDerWaalsContact CD-OG 3.24Å; E266-S355 WeakPolarHBondContact OE1-CB 3.3Å; E266-S355 PolarHBondContact OE1-OG 3.1Å; E266-S355 WeakPolarHBondContact OE2-CA 3.26Å; E266-S355 PolarHBondContact OE2-OG 2.83Å; E266-L356 PolarHBondContact OE2-N 2.92Å
267V98.8Very high96.6Very high3 Ų337.7 Ų37.72%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-132.8133.1170.359.20000107.6C222 D224 A234 L242 M264 L277 F278 T279C222-V267 HydrophobicContact CB-CG1 4.25Å; D224-V267 HydrophobicContact CB-CG1 4.26Å; D224-V267 WeakPolarHBondContact CB-O 3.48Å; A234-V267 HydrophobicContact CB-CG1 4.39Å; A234-V267 HydrophobicContact CB-CG2 3.81Å; L242-V267 HydrophobicContact CD1-CG2 4Å; M264-V267 HydrophobicContact SD-CB 4.42Å; V267-L277 HydrophobicContact CG2-CD1 3.88Å; V267-L277 HydrophobicContact CG2-CD2 3.91Å; V267-L277 HydrophobicContact CG2-CG 3.99Å; V267-F278 CarbonylContact C-O 3.54Å; V267-F278 WeakPolarHBondContact CA-O 3.25Å; V267-T279 HydrophobicContact CB-CG2 4.19Å; V267-T279 HydrophobicContact CG2-CG2 3.93Å
268H98.7Very high96.9Very high30 Ų3036.5 Ų36.514%0.13919%0.19CC..EExtended strand (participates in β ladder)trans-138.9126.2177.1-67.1-88.9000110.6D224 E266 L277 F278 L356 V358D224-H268 WeakPolarHBondContact OD2-CA 3.33Å; E266-H268 IonicContact OE2-CD2 2.73Å; E266-H268 IonicContact OE2-NE2 3.07Å; E266-H268 PolarHBondContact OE2-NE2 2.91Å; H268-L277 CarbonylContact O-C 3.53Å; H268-L277 WeakPolarHBondContact O-CA 3.35Å; H268-F278 PolarHBondContact N-O 3.16Å; H268-F278 PolarHBondContact O-N 2.96Å; H268-L356 HydrophobicContact CB-CD1 4.09Å; H268-L356 VanDerWaalsContact CD2-CD1 3.46Å; H268-L356 WeakPolarHBondContact CD2-CD1 3.29Å; H268-L356 PolarHBondContact NE2-O 3.42Å; H268-V358 HydrophobicContact CB-CG2 4.4Å
269F98.4Very high97.1Very high5 Ų530.3 Ų30.32%0.02216%0.163CC..EExtended strand (participates in β ladder)trans-68.5141.3161.7-73.6-79.9000109.1D224 H226 V232 A234 P271 P274 L277 W330D224-F269 PolarHBondContact OD2-N 3.31Å; H226-F269 HydrophobicContact CB-CD2 4.25Å; H226-F269 HydrophobicContact CB-CE2 4.06Å; H226-F269 HydrophobicContact CB-CZ 4.23Å; H226-F269 AromaticContact CD2-CE1 3.85Å; V232-F269 HydrophobicContact CG1-CZ 4.47Å; A234-F269 HydrophobicContact CB-CE2 3.58Å; A234-F269 HydrophobicContact CB-CZ 3.81Å; F269-P271 WeakPolarHBondContact O-CD 3.49Å; F269-P274 HydrophobicContact CB-CB 4.39Å; F269-P274 HydrophobicContact CD1-CB 4.23Å; F269-L277 HydrophobicContact CD1-CB 4.41Å; F269-L277 HydrophobicContact CD1-CD1 3.97Å; F269-L277 HydrophobicContact CE1-CD1 3.68Å; F269-L277 HydrophobicContact CE2-CD1 4.36Å; F269-L277 HydrophobicContact CG-CD1 4.43Å; F269-L277 HydrophobicContact CZ-CD1 3.9Å; F269-W330 AromaticContact CE1-CD1 3.67Å; F269-W330 HydrophobicContact CE1-CD2 4.38Å; F269-W330 HydrophobicContact CE1-CG 4.1Å; F269-W330 AromaticContact CE1-NE1 3.68Å
270H97.7Very high97.2Very high5 Ų530 Ų302%0.02316%0.161CC..  trans-64.2123.2171.6-178.3-103.3000110S272 N273 H276 F278 G360H270-S272 VanDerWaalsContact C-N 3.29Å; H270-S272 PolarHBondContact CE1-OG 2.74Å; H270-S272 PolarHBondContact O-N 3.49Å; H270-S272 VanDerWaalsContact O-N 3.13Å; H270-N273 WeakPolarHBondContact CB-O 3.42Å; H270-N273 WeakPolarHBondContact ND1-CB 3.35Å; H270-N273 PolarHBondContact ND1-N 3.49Å; H270-N273 CarbonylContact O-C 3.54Å; H270-N273 PolarHBondContact O-N 3.13Å; H270-H276 HydrophobicContact CB-CB 3.89Å; H270-H276 WeakPolarHBondContact CB-O 3.38Å; H270-H276 PolarHBondContact N-O 3.06Å; H270-F278 HydrophobicContact CB-CE2 4.05Å; H270-G360 PolarHBondContact NE2-O 3.42Å
271P95.4Very high97.3Very high62 Ų6229.9 Ų29.940%0.40316%0.16SC..SBendtrans-60-33.4-165.9-29.134.5000115.2F269 V358F269-P271 WeakPolarHBondContact O-CD 3.49Å; P271-V358 WeakPolarHBondContact CD-O 3.39Å; P271-V358 WeakPolarHBondContact CG-O 3.11Å
272S93.6Very high97.3Very high91 Ų9126.6 Ų26.664%0.63615%0.145SC*.SBendtrans-103.9-18.7-177.156.90000114.3H270H270-S272 VanDerWaalsContact C-N 3.29Å; H270-S272 PolarHBondContact CE1-OG 2.74Å; H270-S272 PolarHBondContact O-N 3.49Å; H270-S272 VanDerWaalsContact O-N 3.13Å
273N94.1Very high97.3Very high62 Ų6228.4 Ų28.433%0.33215%0.152SC..  trans-140.277.9-179.8-174.99.3000110.2H270 D275 H276H270-N273 WeakPolarHBondContact CB-O 3.42Å; H270-N273 WeakPolarHBondContact ND1-CB 3.35Å; H270-N273 PolarHBondContact ND1-N 3.49Å; H270-N273 CarbonylContact O-C 3.54Å; H270-N273 PolarHBondContact O-N 3.13Å; N273-D275 PolarHBondContact O-N 2.91Å; N273-H276 PolarHBondContact ND2-CD2 3.18Å; N273-H276 PolarHBondContact ND2-NE2 2.84Å; N273-H276 PolarHBondContact O-N 2.9Å
274P94.3Very high97.3Very high11 Ų1126.4 Ų26.47%0.07114%0.142CC..THydrogen-bonded Turntrans-74.76.4-169.432.6-38.1000114.6H226 P227 F269 H276 W330H226-P274 WeakPolarHBondContact CE1-CG 3.48Å; P227-P274 HydrophobicContact CG-CB 3.68Å; P227-P274 HydrophobicContact CG-CG 4Å; F269-P274 HydrophobicContact CB-CB 4.39Å; F269-P274 HydrophobicContact CD1-CB 4.23Å; P274-H276 PolarHBondContact O-N 3.42Å; P274-W330 PolarHBondContact O-NE1 3.49Å
275D92.8Very high97.2Very high51 Ų5127.1 Ų27.127%0.27315%0.147SC..THydrogen-bonded Turntrans-67.2-19.2161.5-74-31.4000111.4N273 A291 S329 W330N273-D275 PolarHBondContact O-N 2.91Å; D275-A291 PolarHBondContact O-N 2.61Å; D275-S329 PolarHBondContact OD1-OG 3.4Å; D275-W330 WeakPolarHBondContact O-CZ2 3.19Å
276H95.7Very high97.2Very high15 Ų1523.7 Ų23.77%0.06914%0.135CC..EExtended strand (participates in β ladder)trans-96.3139168.4-53.2-65.3000111.6H270 N273 P274 F278 H288 W289 D290 F379H270-H276 HydrophobicContact CB-CB 3.89Å; H270-H276 WeakPolarHBondContact CB-O 3.38Å; H270-H276 PolarHBondContact N-O 3.06Å; N273-H276 PolarHBondContact ND2-CD2 3.18Å; N273-H276 PolarHBondContact ND2-NE2 2.84Å; N273-H276 PolarHBondContact O-N 2.9Å; P274-H276 PolarHBondContact O-N 3.42Å; H276-F278 HydrophobicContact CB-CE2 4.29Å; H276-H288 AromaticContact CG-NE2 3.58Å; H276-H288 AromaticContact ND1-CE1 3.81Å; H276-H288 AromaticContact ND1-NE2 3.14Å; H276-H288 PolarHBondContact ND1-NE2 2.72Å; H276-H288 VanDerWaalsContact ND1-NE2 3.14Å; H276-W289 VanDerWaalsContact CA-O 3.26Å; H276-W289 WeakPolarHBondContact CA-O 3.35Å; H276-D290 VanDerWaalsContact CE1-CG 3.42Å; H276-D290 IonicContact CE1-OD1 3.86Å; H276-D290 PolarHBondContact CE1-OD1 3.13Å; H276-D290 IonicContact CE1-OD2 2.88Å; H276-D290 PolarHBondContact CE1-OD2 2.9Å; H276-D290 IonicContact ND1-OD1 3.79Å; H276-D290 PolarHBondContact ND1-OD1 2.69Å; H276-D290 IonicContact ND1-OD2 3.62Å; H276-F379 AromaticContact CD2-CE1 3.86Å; H276-F379 AromaticContact CD2-CZ 3.99Å; H276-F379 AromaticContact NE2-CE1 3.86Å
277L97.8Very high97.1Very high0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-136.7147.9175.6176.6151.4000109.3A234 L242 V267 H268 F269 T279 W289 W330A234-L277 HydrophobicContact CB-CD1 4Å; L242-L277 HydrophobicContact CD1-CD2 4.49Å; L242-L277 HydrophobicContact CD2-CD2 3.84Å; V267-L277 HydrophobicContact CG2-CD1 3.88Å; V267-L277 HydrophobicContact CG2-CD2 3.91Å; V267-L277 HydrophobicContact CG2-CG 3.99Å; H268-L277 CarbonylContact O-C 3.53Å; H268-L277 WeakPolarHBondContact O-CA 3.35Å; F269-L277 HydrophobicContact CD1-CB 4.41Å; F269-L277 HydrophobicContact CD1-CD1 3.97Å; F269-L277 HydrophobicContact CE1-CD1 3.68Å; F269-L277 HydrophobicContact CE2-CD1 4.36Å; F269-L277 HydrophobicContact CG-CD1 4.43Å; F269-L277 HydrophobicContact CZ-CD1 3.9Å; L277-T279 HydrophobicContact CD2-CG2 3.59Å; L277-W289 HydrophobicContact CB-CB 4.33Å; L277-W289 HydrophobicContact CD2-CB 4.37Å; L277-W289 HydrophobicContact CD2-CG 3.95Å; L277-W289 PolarHBondContact N-O 3.31Å; L277-W289 WeakPolarHBondContact O-CB 3.47Å; L277-W289 PolarHBondContact O-N 3.42Å; L277-W330 HydrophobicContact CB-CH2 3.8Å; L277-W330 HydrophobicContact CB-CZ2 3.49Å; L277-W330 VanDerWaalsContact CB-CZ2 3.49Å; L277-W330 HydrophobicContact CD1-CH2 4.47Å; L277-W330 HydrophobicContact CD1-CZ2 4.41Å
278F98.6Very high97.1Very high0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-125.5139.1-179-60.4-92.7000110.3V267 H268 H270 H276 W287 H288 L345 L356 V358 L363 L378V267-F278 CarbonylContact C-O 3.54Å; V267-F278 WeakPolarHBondContact CA-O 3.25Å; H268-F278 PolarHBondContact N-O 3.16Å; H268-F278 PolarHBondContact O-N 2.96Å; H270-F278 HydrophobicContact CB-CE2 4.05Å; H276-F278 HydrophobicContact CB-CE2 4.29Å; F278-W287 VanDerWaalsContact CA-O 3.31Å; F278-W287 WeakPolarHBondContact CA-O 3.21Å; F278-H288 HydrophobicContact CD1-CB 3.91Å; F278-H288 HydrophobicContact CE1-CB 3.69Å; F278-H288 AromaticContact CE1-CD2 3.44Å; F278-H288 VanDerWaalsContact CE1-CD2 3.44Å; F278-H288 WeakPolarHBondContact CE1-CD2 3.36Å; F278-H288 AromaticContact CE1-CG 3.67Å; F278-H288 AromaticContact CZ-CD2 3.56Å; F278-L345 HydrophobicContact CD1-CD1 4.43Å; F278-L345 HydrophobicContact CE1-CD1 4.25Å; F278-L356 HydrophobicContact CB-CD1 3.76Å; F278-L356 HydrophobicContact CB-CD2 3.97Å; F278-V358 HydrophobicContact CD1-CG1 4.23Å; F278-V358 HydrophobicContact CD2-CB 4.21Å; F278-V358 HydrophobicContact CD2-CG1 3.71Å; F278-V358 HydrophobicContact CD2-CG2 3.75Å; F278-V358 HydrophobicContact CE1-CG1 4.34Å; F278-V358 HydrophobicContact CE2-CB 4.18Å; F278-V358 HydrophobicContact CE2-CG1 3.83Å; F278-V358 HydrophobicContact CE2-CG2 4.02Å; F278-V358 HydrophobicContact CG-CG1 3.91Å; F278-V358 HydrophobicContact CZ-CG1 4.15Å; F278-L363 HydrophobicContact CD1-CD1 3.78Å; F278-L363 HydrophobicContact CE1-CD1 3.92Å; F278-L378 HydrophobicContact CE1-CD1 4.27Å; F278-L378 HydrophobicContact CE1-CD2 4.29Å; F278-L378 HydrophobicContact CZ-CD1 3.91Å
279T98.8Very high96.9Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-133.8147.6175.958.10000110.9L242 H260 M264 E266 V267 L277 L286 W287 W289L242-T279 HydrophobicContact CD1-CG2 4.48Å; H260-T279 WeakPolarHBondContact NE2-CB 3.38Å; H260-T279 PolarHBondContact NE2-OG1 2.96Å; M264-T279 HydrophobicContact CE-CG2 3.86Å; M264-T279 HydrophobicContact SD-CG2 3.56Å; M264-T279 VanDerWaalsContact SD-CG2 3.56Å; E266-T279 WeakPolarHBondContact O-CA 3.39Å; V267-T279 HydrophobicContact CB-CG2 4.19Å; V267-T279 HydrophobicContact CG2-CG2 3.93Å; L277-T279 HydrophobicContact CD2-CG2 3.59Å; T279-L286 CarbonylContact O-C 3.54Å; T279-L286 WeakPolarHBondContact O-CA 3.48Å; T279-W287 PolarHBondContact N-O 3.33Å; T279-W287 PolarHBondContact O-N 2.77Å; T279-W289 PolarHBondContact OG1-NE1 2.98Å
280C98.7Very high96.7Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-131.2157.5171.564.50000112.1M264 W265 E266 S285 L286 V353 L356M264-C280 WeakPolarHBondContact CA-O 3.5Å; W265-C280 PolarHBondContact N-O 3.4Å; E266-C280 PolarHBondContact O-N 3.33Å; E266-C280 VanDerWaalsContact O-N 3.16Å; C280-S285 WeakPolarHBondContact CA-O 3.1Å; C280-L286 HydrophobicContact CB-CG 4.46Å; C280-V353 HydrophobicContact CB-CB 3.83Å; C280-V353 HydrophobicContact CB-CG1 3.48Å; C280-V353 VanDerWaalsContact CB-CG1 3.48Å; C280-V353 WeakPolarHBondContact CB-O 3.26Å; C280-V353 PolarHBondContact SG-O 3.03Å; C280-L356 HydrophobicContact CB-CD2 3.82Å
281S98.7Very high96.3Very high0 Ų026.7 Ų26.70%015%0.148CC..EExtended strand (participates in β ladder)trans-142.9158.7-169.7-179.20000114.6H260 A262 E263 D283 G284 S285 V353H260-S281 WeakPolarHBondContact CB-OG 3.43Å; A262-S281 PolarHBondContact O-OG 3.34Å; E263-S281 CarbonylContact O-C 3.54Å; E263-S281 WeakPolarHBondContact O-CA 3.05Å; E263-S281 VanDerWaalsContact O-CB 3.3Å; E263-S281 WeakPolarHBondContact O-CB 3.31Å; E263-S281 PolarHBondContact O-OG 2.91Å; S281-D283 WeakPolarHBondContact CB-OD1 3.5Å; S281-D283 PolarHBondContact O-N 3.43Å; S281-D283 PolarHBondContact OG-N 2.86Å; S281-D283 PolarHBondContact OG-OD1 3.35Å; S281-G284 PolarHBondContact O-N 3.45Å; S281-G284 VanDerWaalsContact O-N 3.1Å; S281-S285 PolarHBondContact N-O 2.99Å; S281-S285 VanDerWaalsContact N-O 3.09Å; S281-V353 PolarHBondContact O-N 3.41Å
282E98.6Very high95.8Very high75 Ų7524.9 Ų24.935%0.3514%0.137SC..THydrogen-bonded Turntrans-55.2-28.3165.5-172.959.1-153.700113.4A262 E263 W265 G284 S352A262-E282 HydrophobicContact CB-CB 3.88Å; A262-E282 HydrophobicContact CB-CG 4.35Å; E263-E282 HydrophobicContact CB-CB 4.08Å; E263-E282 PolarHBondContact O-N 3.28Å; W265-E282 HydrophobicContact CZ2-CB 4.24Å; W265-E282 HydrophobicContact CZ2-CG 4.48Å; W265-E282 PolarHBondContact NE1-OE2 3.21Å; E282-G284 PolarHBondContact O-N 3.16Å; E282-S352 WeakPolarHBondContact CA-OG 3.5Å; E282-S352 WeakPolarHBondContact OE2-CB 3.4Å; E282-S352 PolarHBondContact OE2-OG 3.15Å
283D97.8Very high94.4Very high60 Ų6025.7 Ų25.732%0.32114%0.138SC..THydrogen-bonded Turntrans-70.4-2.1176.671.215.7000113.9H260 E261 A262 S281 S285H260-D283 WeakPolarHBondContact CB-OD2 3.46Å; E261-D283 PolarHBondContact N-OD2 3.24Å; A262-D283 HydrophobicContact CB-CB 3.91Å; S281-D283 WeakPolarHBondContact CB-OD1 3.5Å; S281-D283 PolarHBondContact O-N 3.43Å; S281-D283 PolarHBondContact OG-N 2.86Å; S281-D283 PolarHBondContact OG-OD1 3.35Å; D283-S285 WeakPolarHBondContact OD1-CB 3.33Å; D283-S285 PolarHBondContact OD1-N 3.21Å; D283-S285 PolarHBondContact OD1-OG 3.48Å
284G97.7Very high92.2Very high1 Ų129.1 Ų29.11%0.0116%0.157CC..SBendtrans88.10.8178.600000113.9S281 E282 T350 L351 V353S281-G284 PolarHBondContact O-N 3.45Å; S281-G284 VanDerWaalsContact O-N 3.1Å; E282-G284 PolarHBondContact O-N 3.16Å; G284-T350 WeakPolarHBondContact O-CB 3.38Å; G284-T350 PolarHBondContact O-OG1 2.56Å; G284-L351 VanDerWaalsContact CA-O 3.24Å; G284-L351 WeakPolarHBondContact CA-O 3.47Å; G284-V353 WeakPolarHBondContact O-CG2 3.3Å
285S97.6Very high89.7Confident15 Ų1530.2 Ų30.211%0.10517%0.169CC..  trans-86.8150.3-179.772.50000113.2H260 C280 S281 D283H260-S285 PolarHBondContact CE1-OG 3.06Å; H260-S285 PolarHBondContact ND1-OG 2.86Å; C280-S285 WeakPolarHBondContact CA-O 3.1Å; S281-S285 PolarHBondContact N-O 2.99Å; S281-S285 VanDerWaalsContact N-O 3.09Å; D283-S285 WeakPolarHBondContact OD1-CB 3.33Å; D283-S285 PolarHBondContact OD1-N 3.21Å; D283-S285 PolarHBondContact OD1-OG 3.48Å
286L98.1Very high87.1Confident1 Ų133 Ų331%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-127.8118.5166.6-172.3156.1000107.4T279 C280 L345 L346 V353 L356 L363 C365T279-L286 CarbonylContact O-C 3.54Å; T279-L286 WeakPolarHBondContact O-CA 3.48Å; C280-L286 HydrophobicContact CB-CG 4.46Å; L286-L345 HydrophobicContact CD2-CB 3.85Å; L286-L345 HydrophobicContact CD2-CD1 3.58Å; L286-L345 HydrophobicContact CD2-CG 3.97Å; L286-L345 PolarHBondContact O-N 3.39Å; L286-L346 HydrophobicContact CB-CD1 3.81Å; L286-L346 HydrophobicContact CB-CG 3.93Å; L286-V353 HydrophobicContact CB-CG1 4.48Å; L286-V353 HydrophobicContact CD1-CG1 4.22Å; L286-L356 HydrophobicContact CD1-CB 3.95Å; L286-L356 HydrophobicContact CD1-CD2 4.23Å; L286-L356 HydrophobicContact CG-CD2 4.26Å; L286-L363 HydrophobicContact CD1-CD1 4.5Å; L286-L363 HydrophobicContact CD1-CD2 4.06Å; L286-L363 HydrophobicContact CD2-CD1 3.91Å; L286-C365 HydrophobicContact CD1-CB 3.47Å; L286-C365 VanDerWaalsContact CD1-CB 3.47Å; L286-C365 VanDerWaalsContact CD1-SG 3.57Å
287W97.8Very high84.4Confident56 Ų5641.1 Ų41.121%0.21223%0.228CC..EExtended strand (participates in β ladder)trans-111.4135.9-175.5-72.213.7000111.2A259 H260 F278 T279 W289 I342 T343A259-W287 HydrophobicContact CB-CE3 4.45Å; A259-W287 HydrophobicContact CB-CZ3 4.3Å; A259-W287 WeakPolarHBondContact O-CH2 3.4Å; A259-W287 VanDerWaalsContact O-CZ3 3.22Å; A259-W287 WeakPolarHBondContact O-CZ3 2.9Å; H260-W287 AromaticContact CE1-CD1 3.83Å; H260-W287 AromaticContact CE1-CD2 3.61Å; H260-W287 AromaticContact CE1-CE2 3.95Å; H260-W287 AromaticContact CE1-CG 3.55Å; H260-W287 AromaticContact ND1-CD2 3.85Å; H260-W287 AromaticContact ND1-CE2 3.81Å; F278-W287 VanDerWaalsContact CA-O 3.31Å; F278-W287 WeakPolarHBondContact CA-O 3.21Å; T279-W287 PolarHBondContact N-O 3.33Å; T279-W287 PolarHBondContact O-N 2.77Å; W287-W289 AromaticContact CE3-CE2 3.98Å; W287-W289 HydrophobicContact CE3-CH2 4.03Å; W287-W289 AromaticContact CE3-CZ2 3.45Å; W287-W289 HydrophobicContact CE3-CZ2 3.45Å; W287-W289 VanDerWaalsContact CE3-CZ2 3.45Å; W287-W289 HydrophobicContact CZ3-CH2 4.08Å; W287-W289 AromaticContact CZ3-CZ2 3.93Å; W287-W289 HydrophobicContact CZ3-CZ2 3.93Å; W287-I342 HydrophobicContact CB-CG2 4.28Å; W287-I342 HydrophobicContact CD2-CG2 3.68Å; W287-I342 HydrophobicContact CE3-CD1 4.46Å; W287-I342 HydrophobicContact CE3-CG2 3.27Å; W287-I342 HydrophobicContact CG-CG2 4.12Å; W287-I342 HydrophobicContact CZ3-CD1 4.21Å; W287-I342 HydrophobicContact CZ3-CG2 3.78Å; W287-T343 WeakPolarHBondContact CA-O 3.3Å
288H97.5Very high81.3Confident22 Ų2250 Ų5010%0.10227%0.267CS..EExtended strand (participates in β ladder)trans-99.2126.7164.7169.8-140.7000108.8H276 F278 I342 T343 L345H276-H288 AromaticContact CG-NE2 3.58Å; H276-H288 AromaticContact ND1-CE1 3.81Å; H276-H288 AromaticContact ND1-NE2 3.14Å; H276-H288 PolarHBondContact ND1-NE2 2.72Å; H276-H288 VanDerWaalsContact ND1-NE2 3.14Å; F278-H288 HydrophobicContact CD1-CB 3.91Å; F278-H288 HydrophobicContact CE1-CB 3.69Å; F278-H288 AromaticContact CE1-CD2 3.44Å; F278-H288 VanDerWaalsContact CE1-CD2 3.44Å; F278-H288 WeakPolarHBondContact CE1-CD2 3.36Å; F278-H288 AromaticContact CE1-CG 3.67Å; F278-H288 AromaticContact CZ-CD2 3.56Å; H288-I342 WeakPolarHBondContact O-CA 3.47Å; H288-T343 PolarHBondContact N-O 3.29Å; H288-T343 PolarHBondContact O-N 3.2Å; H288-L345 HydrophobicContact CB-CD1 3.96Å; H288-L345 HydrophobicContact CB-CD2 4.22Å; H288-L345 HydrophobicContact CB-CG 4.09Å
289W96.3Very high78.3Confident5 Ų554.2 Ų54.22%0.01930%0.297CS..EExtended strand (participates in β ladder)trans-110126.2177.2-53.668000108.8L242 L257 A259 H276 L277 T279 W287 W330 I340 E341 I342L242-W289 HydrophobicContact CD2-CD2 4.2Å; L242-W289 HydrophobicContact CD2-CE3 4.3Å; L242-W289 HydrophobicContact CD2-CH2 4.38Å; L242-W289 HydrophobicContact CD2-CZ2 4.26Å; L242-W289 HydrophobicContact CD2-CZ3 4.38Å; L257-W289 HydrophobicContact CB-CZ3 4.4Å; L257-W289 HydrophobicContact CD1-CZ3 4.24Å; A259-W289 HydrophobicContact CB-CH2 3.6Å; A259-W289 HydrophobicContact CB-CZ2 3.33Å; H276-W289 VanDerWaalsContact CA-O 3.26Å; H276-W289 WeakPolarHBondContact CA-O 3.35Å; L277-W289 HydrophobicContact CB-CB 4.33Å; L277-W289 HydrophobicContact CD2-CB 4.37Å; L277-W289 HydrophobicContact CD2-CG 3.95Å; L277-W289 PolarHBondContact N-O 3.31Å; L277-W289 WeakPolarHBondContact O-CB 3.47Å; L277-W289 PolarHBondContact O-N 3.42Å; T279-W289 PolarHBondContact OG1-NE1 2.98Å; W287-W289 AromaticContact CE3-CE2 3.98Å; W287-W289 HydrophobicContact CE3-CH2 4.03Å; W287-W289 AromaticContact CE3-CZ2 3.45Å; W287-W289 HydrophobicContact CE3-CZ2 3.45Å; W287-W289 VanDerWaalsContact CE3-CZ2 3.45Å; W287-W289 HydrophobicContact CZ3-CH2 4.08Å; W287-W289 AromaticContact CZ3-CZ2 3.93Å; W287-W289 HydrophobicContact CZ3-CZ2 3.93Å; W289-W330 HydrophobicContact CB-CH2 3.63Å; W289-W330 HydrophobicContact CB-CZ2 4.41Å; W289-W330 HydrophobicContact CG-CH2 4.42Å; W289-I340 HydrophobicContact CB-CG2 4.28Å; W289-I340 HydrophobicContact CE3-CG2 3.89Å; W289-E341 CarbonylContact C-O 3.6Å; W289-E341 WeakPolarHBondContact CA-O 3.48Å; W289-I342 HydrophobicContact CD2-CD1 4.4Å; W289-I342 HydrophobicContact CD2-CG1 4.17Å; W289-I342 HydrophobicContact CE3-CD1 3.69Å; W289-I342 HydrophobicContact CE3-CG1 3.71Å; W289-I342 HydrophobicContact CH2-CD1 3.74Å; W289-I342 HydrophobicContact CZ2-CD1 4.44Å; W289-I342 HydrophobicContact CZ3-CD1 3.32Å; W289-I342 HydrophobicContact CZ3-CG1 3.92Å
290D93.3Very high75.1Confident26 Ų2658.5 Ų58.514%0.13933%0.326CS..EExtended strand (participates in β ladder)trans-115.3105.9176.2-171.8-5.9000109.8H276 S292 I340 E341H276-D290 VanDerWaalsContact CE1-CG 3.42Å; H276-D290 IonicContact CE1-OD1 3.86Å; H276-D290 PolarHBondContact CE1-OD1 3.13Å; H276-D290 IonicContact CE1-OD2 2.88Å; H276-D290 PolarHBondContact CE1-OD2 2.9Å; H276-D290 IonicContact ND1-OD1 3.79Å; H276-D290 PolarHBondContact ND1-OD1 2.69Å; H276-D290 IonicContact ND1-OD2 3.62Å; D290-S292 VanDerWaalsContact CG-OG 3.29Å; D290-S292 WeakPolarHBondContact OD1-CA 3.38Å; D290-S292 WeakPolarHBondContact OD1-CB 3.24Å; D290-S292 PolarHBondContact OD1-N 2.55Å; D290-S292 PolarHBondContact OD1-OG 2.92Å; D290-S292 PolarHBondContact OD2-OG 2.76Å; D290-I340 WeakPolarHBondContact O-CA 3.33Å; D290-E341 HydrophobicContact CB-CB 4.37Å; D290-E341 PolarHBondContact N-O 3.29Å; D290-E341 PolarHBondContact O-N 2.95Å
291A89.8Confident71.9Confident8 Ų865.6 Ų65.67%0.06636%0.363CS..  trans-94.99.3174.800000112.5D275 T293 S329 W330 I340D275-A291 PolarHBondContact O-N 2.61Å; A291-T293 PolarHBondContact O-N 2.66Å; A291-S329 WeakPolarHBondContact O-CB 3.13Å; A291-W330 HydrophobicContact CB-CD2 4.13Å; A291-W330 HydrophobicContact CB-CE3 4.43Å; A291-W330 HydrophobicContact CB-CH2 3.94Å; A291-W330 HydrophobicContact CB-CZ2 3.61Å; A291-W330 HydrophobicContact CB-CZ3 4.35Å; A291-I340 HydrophobicContact CB-CG1 4.25Å
292S84.5Confident68.8Low24 Ų2474 Ų7417%0.16840%0.401CS..  trans-61.5134.1175.472.10000109.6D290 N294D290-S292 VanDerWaalsContact CG-OG 3.29Å; D290-S292 WeakPolarHBondContact OD1-CA 3.38Å; D290-S292 WeakPolarHBondContact OD1-CB 3.24Å; D290-S292 PolarHBondContact OD1-N 2.55Å; D290-S292 PolarHBondContact OD1-OG 2.92Å; D290-S292 PolarHBondContact OD2-OG 2.76Å; S292-N294 PolarHBondContact O-N 2.88Å; S292-N294 PolarHBondContact OG-ND2 2.85Å
293T63.4Low65.8Low108 Ų10881.8 Ų81.866%0.66343%0.428SS*.  trans-79.666.6-174.335.70000111.2A291 G295A291-T293 PolarHBondContact O-N 2.66Å; T293-G295 PolarHBondContact O-N 2.81Å; T293-G295 VanDerWaalsContact O-N 3.14Å
294N49.2Very low62.6Low134 Ų13487.8 Ų87.872%0.71745%0.454SS*.  trans-86.943.5176.2-78.1-23.4000113.4S292 P296S292-N294 PolarHBondContact O-N 2.88Å; S292-N294 PolarHBondContact OG-ND2 2.85Å; N294-P296 WeakPolarHBondContact O-CD 3.16Å
295G41.8Very low59.4Low33 Ų3391.9 Ų91.934%0.3450%0.496SS..  trans-83.9117.6163.800000109T293 E297T293-G295 PolarHBondContact O-N 2.81Å; T293-G295 VanDerWaalsContact O-N 3.14Å; G295-E297 PolarHBondContact O-N 2.98Å
296P38.3Very low56.1Low109 Ų10994.7 Ų94.771%0.70853%0.528SS*.  trans-55.1130.8156.825.1-29.9000105.4N294 K298N294-P296 WeakPolarHBondContact O-CD 3.16Å; P296-K298 PolarHBondContact O-N 3.09Å
297E37.9Very low53.1Low186 Ų186106.4 Ų106.487%0.86957%0.572SS**  trans-52.697.4158.2-73.8-170.9162.700105.3G295 S299G295-E297 PolarHBondContact O-N 2.98Å; E297-S299 PolarHBondContact O-N 3.39Å
298K33.9Very low49.9Very low187 Ų187109.5 Ų109.581%0.81360%0.602SS**  trans-63.490.3159.2-86.2-176.4178.7172.70102.6P296 S300P296-K298 PolarHBondContact O-N 3.09Å; K298-S300 PolarHBondContact O-N 2.86Å
299S35.1Very low46.8Very low89 Ų89112.9 Ų112.962%0.62263%0.628SS**  trans-49.494.615753.10000104.7E297 L301E297-S299 PolarHBondContact O-N 3.39Å; S299-L301 PolarHBondContact O-N 3.1Å
300S30.8Very low43.8Very low89 Ų89117.7 Ų117.762%0.62266%0.658SS**  trans-67.474.5163.742.80000105.2K298 F302K298-S300 PolarHBondContact O-N 2.86Å; S300-F302 WeakPolarHBondContact O-CD2 3.43Å; S300-F302 PolarHBondContact O-N 3.31Å
301L32.7Very low40.8Very low149 Ų149125.5 Ų125.578%0.7869%0.691SS**  trans-64.788158.9-71.7172.4000104.7S299 Y303S299-L301 PolarHBondContact O-N 3.1Å; L301-Y303 PolarHBondContact O-N 3.44Å
302F33Very low38.1Very low178 Ų178133.4 Ų133.478%0.78173%0.732SS**  trans-45.5126.5165.5-76-88.7000108.1S300 Q304S300-F302 WeakPolarHBondContact O-CD2 3.43Å; S300-F302 PolarHBondContact O-N 3.31Å; F302-Q304 VanDerWaalsContact C-N 3.32Å; F302-Q304 PolarHBondContact O-N 3.22Å
303Y35.2Very low35.5Very low238 Ų238137.1 Ų137.193%0.93376%0.757SS**  trans-55.799.3158.2-102.9-93.7000108.1L301L301-Y303 PolarHBondContact O-N 3.44Å
304Q31.1Very low34.2Very low185 Ų185141.2 Ų141.286%0.86477%0.769SS**  trans-14493.7149.3-77.3-159.2-21.600109.2F302 G306F302-Q304 VanDerWaalsContact C-N 3.32Å; F302-Q304 PolarHBondContact O-N 3.22Å; Q304-G306 PolarHBondContact O-N 3.17Å
305G29.1Very low33.2Very low87 Ų87139.2 Ų139.290%0.89777%0.765SS**  trans-64.2125.315500000108.8
306G29.2Very low33.2Very low74 Ų74145.5 Ų145.576%0.76379%0.79SS**  trans168.383.2177.400000113.4Q304Q304-G306 PolarHBondContact O-N 3.17Å
307R34.8Very low32.8Very low248 Ų248145.6 Ų145.694%0.93679%0.793SS**  trans-32.2128.3168.3-68168.2157179.7-6.9114.4
308S30Very low32.6Very low121 Ų121144 Ų14485%0.84679%0.79SS**  -175.6149.8119.1-114.70000113.1
309S34.4Very low32.4Very low93 Ų93143.1 Ų143.165%0.6579%0.789SS**  trans-57.9145.2-176.456.30000115.8
310T33.2Very low32.2Very low106 Ų106143.1 Ų143.165%0.6579%0.794SS**  155.6151103.247.70000113.3
311F29.8Very low32.3Very low189 Ų189143.4 Ų143.483%0.82980%0.796SS**  trans77.3113.5159.9-59.8-66.6000120.4
312L33.6Very low32.4Very low175 Ų175141 Ų14192%0.91679%0.788SS**  trans-65.4125.2152.7-78.7154.9000109.3
313S28.2Very low32.2Very low101 Ų101139.3 Ų139.371%0.70678%0.782SS**  trans-138.5115.815461.40000109.2S315S313-S315 PolarHBondContact O-N 2.72Å
314H37.3Very low32.5Very low195 Ų195135.6 Ų135.690%0.90377%0.773SS**  trans-58119.3165.7-85.5-80.5000109.7
315S28.7Very low33.1Very low92 Ų92131.2 Ų131.264%0.64376%0.763SS**  trans-157.3104160.155.60000110.5S313S313-S315 PolarHBondContact O-N 2.72Å
316I40.3Very low34.3Very low165 Ų165133.1 Ų133.185%0.84675%0.752SS**  trans2599.4140.5-52168.2000115.3
317S31.6Very low35.8Very low111 Ų111134.9 Ų134.978%0.77674%0.742SS**  trans-149.256.9155.667.10000110.7
318N32.2Very low37.4Very low152 Ų152123.3 Ų123.381%0.81370%0.699SS**  trans-119.554171.8-94.86.6000110.6
319Q30.2Very low39.7Very low168 Ų168119.2 Ų119.279%0.78567%0.671SS**SBendtrans-1345.8174-80.9-169.5-17.200115.2
320A31.2Very low42.2Very low89 Ų89115 Ų11574%0.73664%0.641SS**SBendtrans-95.5-21.3177.600000114.5
321S33.4Very low44.6Very low96 Ų96110.7 Ų110.767%0.67161%0.613SS**SBendtrans-97.2-2.1-170.184.80000116
322V33.1Very low46.5Very low98 Ų98103.9 Ų103.959%0.59459%0.589SS**SBendtrans-90.2-29.8-178.8-174.70000111.6S325V322-S325 PolarHBondContact O-OG 3.48Å
323H30.2Very low47.7Very low143 Ų143101.4 Ų101.466%0.66258%0.582SS**G310 helixtrans-81.1-16-178-82.5-71.5000114.8S325H323-S325 PolarHBondContact O-N 3Å
324Q40.6Very low48.9Very low160 Ų160101 Ų10175%0.74857%0.572SS**G310 helixtrans-76.3-10.3179.9-152.9161.210.200112.9
325S45.3Very low49.3Very low92 Ų9296.8 Ų96.864%0.64356%0.562SS**G310 helixtrans-87-2.9-177.9690000115.4V322 H323V322-S325 PolarHBondContact O-OG 3.48Å; H323-S325 PolarHBondContact O-N 3Å
326L52.8Low50.1Low127 Ų12794 Ų9467%0.66554%0.544SS*.SBendtrans-111.2-8.5-172.7-69.7169.7000114.3
327I61.8Low50.7Low111 Ų11190.1 Ų90.157%0.56952%0.521SS*.SBendtrans-102.5128.6-179.9-59.9175.8000107.1S329 L331I327-S329 PolarHBondContact O-N 3.03Å; I327-L331 HydrophobicContact CG2-CB 3.83Å; I327-L331 HydrophobicContact CG2-CD1 4.45Å
328S68Low51.7Low5 Ų592.3 Ų92.34%0.03552%0.524CS..  trans-51.8136.6174.6-171.60000110H226 Q229 W330 L331H226-S328 PolarHBondContact NE2-OG 2.83Å; Q229-S328 VanDerWaalsContact NE2-CA 3.3Å; Q229-S328 VanDerWaalsContact NE2-CB 3.31Å; Q229-S328 VanDerWaalsContact NE2-N 3.13Å; S328-W330 PolarHBondContact O-N 2.74Å; S328-W330 VanDerWaalsContact O-N 3.13Å; S328-W330 PolarHBondContact OG-N 3.22Å; S328-L331 PolarHBondContact O-N 3.37Å
329S78.3Confident53.5Low35 Ų3591.6 Ų91.625%0.24551%0.51CS..G310 helixtrans-49.6-36.7171.546.60000111.2D275 A291 I327 L331 S332D275-S329 PolarHBondContact OD1-OG 3.4Å; A291-S329 WeakPolarHBondContact O-CB 3.13Å; I327-S329 PolarHBondContact O-N 3.03Å; S329-L331 VanDerWaalsContact C-N 3.28Å; S329-L331 PolarHBondContact O-N 2.86Å; S329-S332 WeakPolarHBondContact O-CB 3.45Å; S329-S332 PolarHBondContact O-N 3Å
330W86.1Confident56.2Low6 Ų685.5 Ų85.52%0.02348%0.482CS..G310 helixtrans-65-20.5176.5-58.8103.4000115.9I244 L257 F269 P274 D275 L277 W289 A291 S328 I340I244-W330 HydrophobicContact CD1-CE3 4.31Å; I244-W330 HydrophobicContact CG1-CE3 4.4Å; I244-W330 HydrophobicContact CG2-CB 4.11Å; L257-W330 HydrophobicContact CD1-CZ3 4.45Å; F269-W330 AromaticContact CE1-CD1 3.67Å; F269-W330 HydrophobicContact CE1-CD2 4.38Å; F269-W330 HydrophobicContact CE1-CG 4.1Å; F269-W330 AromaticContact CE1-NE1 3.68Å; P274-W330 PolarHBondContact O-NE1 3.49Å; D275-W330 WeakPolarHBondContact O-CZ2 3.19Å; L277-W330 HydrophobicContact CB-CH2 3.8Å; L277-W330 HydrophobicContact CB-CZ2 3.49Å; L277-W330 VanDerWaalsContact CB-CZ2 3.49Å; L277-W330 HydrophobicContact CD1-CH2 4.47Å; L277-W330 HydrophobicContact CD1-CZ2 4.41Å; W289-W330 HydrophobicContact CB-CH2 3.63Å; W289-W330 HydrophobicContact CB-CZ2 4.41Å; W289-W330 HydrophobicContact CG-CH2 4.42Å; A291-W330 HydrophobicContact CB-CD2 4.13Å; A291-W330 HydrophobicContact CB-CE3 4.43Å; A291-W330 HydrophobicContact CB-CH2 3.94Å; A291-W330 HydrophobicContact CB-CZ2 3.61Å; A291-W330 HydrophobicContact CB-CZ3 4.35Å; S328-W330 PolarHBondContact O-N 2.74Å; S328-W330 VanDerWaalsContact O-N 3.13Å; S328-W330 PolarHBondContact OG-N 3.22Å; W330-I340 HydrophobicContact CE3-CD1 4.47Å; W330-I340 HydrophobicContact CH2-CG2 4.41Å; W330-I340 HydrophobicContact CZ3-CD1 4.07Å
331L83.3Confident59.1Low14 Ų1487.5 Ų87.57%0.07348%0.477CS..G310 helixtrans-96.5-2.1178.3-65.5-178000113.3V232 I244 D246 V254 I327 S328 S329 T333V232-L331 HydrophobicContact CG1-CD2 4.36Å; V232-L331 HydrophobicContact CG2-CD1 3.64Å; V232-L331 HydrophobicContact CG2-CD2 4.22Å; V232-L331 HydrophobicContact CG2-CG 4.08Å; I244-L331 HydrophobicContact CG2-CD2 4.15Å; D246-L331 HydrophobicContact CB-CD2 3.96Å; V254-L331 HydrophobicContact CB-CD2 4.17Å; V254-L331 HydrophobicContact CG1-CD2 4.11Å; V254-L331 HydrophobicContact CG2-CD2 4.07Å; I327-L331 HydrophobicContact CG2-CB 3.83Å; I327-L331 HydrophobicContact CG2-CD1 4.45Å; S328-L331 PolarHBondContact O-N 3.37Å; S329-L331 VanDerWaalsContact C-N 3.28Å; S329-L331 PolarHBondContact O-N 2.86Å; L331-T333 PolarHBondContact O-N 2.81Å
332S70.4Confident62Low46 Ų4686.5 Ų86.532%0.32246%0.463SS..  trans-65.6122.6179.3-171.70000110.9S329 D334S329-S332 WeakPolarHBondContact O-CB 3.45Å; S329-S332 PolarHBondContact O-N 3Å; S332-D334 VanDerWaalsContact C-N 3.31Å
333T59.8Low64.9Low124 Ų12485.2 Ų85.276%0.76146%0.455SS*.  trans-86.3-3.9177.453.10000113L331L331-T333 PolarHBondContact O-N 2.81Å
334D51.8Low68Low93 Ų9381.6 Ų81.650%0.49745%0.446SS..SBendtrans-73.1150.3-175.9-151.13.6000110.6S332 A336 K337S332-D334 VanDerWaalsContact C-N 3.31Å; D334-A336 HydrophobicContact CB-CB 4.23Å; D334-A336 PolarHBondContact O-N 2.95Å; D334-K337 PolarHBondContact O-N 2.63Å
335P46.3Very low70.5Confident106 Ų10674.9 Ų74.969%0.68842%0.415SS*.G310 helixtrans-47.20.9163.312.3-32.1000116.9K337 D338P335-K337 PolarHBondContact O-N 2.86Å; P335-K337 VanDerWaalsContact O-N 3.17Å; P335-D338 PolarHBondContact O-N 3.28Å
336A46.2Very low72.8Confident33 Ų3371.1 Ų71.127%0.27339%0.388SS..G310 helixtrans-63.2-3.7166.700000114.8D334 D338 R339D334-A336 HydrophobicContact CB-CB 4.23Å; D334-A336 PolarHBondContact O-N 2.95Å; A336-D338 PolarHBondContact O-N 3.09Å; A336-D338 VanDerWaalsContact O-N 3.16Å; A336-R339 VanDerWaalsContact O-CB 3.28Å; A336-R339 WeakPolarHBondContact O-CB 3.34Å; A336-R339 WeakPolarHBondContact O-CG 3.17Å; A336-R339 PolarHBondContact O-N 2.89Å
337K52.8Low74.4Confident83 Ų8369 Ų6936%0.36138%0.382SS..G310 helixtrans-57.1-21.2167.7-73.3-176.1176.2-179.10113.3S255 L257 D334 P335 R339 I340S255-K337 WeakPolarHBondContact OG-CE 3.32Å; S255-K337 PolarHBondContact OG-NZ 3.08Å; L257-K337 HydrophobicContact CD2-CD 4.38Å; D334-K337 PolarHBondContact O-N 2.63Å; P335-K337 PolarHBondContact O-N 2.86Å; P335-K337 VanDerWaalsContact O-N 3.17Å; K337-R339 PolarHBondContact O-N 2.65Å; K337-I340 PolarHBondContact O-N 3.16Å
338D52.8Low75.2Confident158 Ų15869 Ų6985%0.84539%0.392SS*.G310 helixtrans-67.14.7169-74.6-12.6000114P335 A336P335-D338 PolarHBondContact O-N 3.28Å; A336-D338 PolarHBondContact O-N 3.09Å; A336-D338 VanDerWaalsContact O-N 3.16Å
339R69.9Low75.7Confident137 Ų13780.4 Ų80.452%0.51743%0.434SS..G310 helixtrans-113.82.7-179.6-57-175.3-178.4-1771.2114.6A336 K337 E341A336-R339 VanDerWaalsContact O-CB 3.28Å; A336-R339 WeakPolarHBondContact O-CB 3.34Å; A336-R339 WeakPolarHBondContact O-CG 3.17Å; A336-R339 PolarHBondContact O-N 2.89Å; K337-R339 PolarHBondContact O-N 2.65Å; R339-E341 PolarHBondContact O-N 2.95Å
340I87.2Confident76.3Confident40 Ų4079.7 Ų79.721%0.20543%0.428CS..  trans-79.1112.6173.2-57.3170.9000107.5L257 W289 D290 A291 W330 K337 I342L257-I340 HydrophobicContact CD1-CD1 4.21Å; W289-I340 HydrophobicContact CB-CG2 4.28Å; W289-I340 HydrophobicContact CE3-CG2 3.89Å; D290-I340 WeakPolarHBondContact O-CA 3.33Å; A291-I340 HydrophobicContact CB-CG1 4.25Å; W330-I340 HydrophobicContact CE3-CD1 4.47Å; W330-I340 HydrophobicContact CH2-CG2 4.41Å; W330-I340 HydrophobicContact CZ3-CD1 4.07Å; K337-I340 PolarHBondContact O-N 3.16Å; I340-I342 HydrophobicContact CG2-CG1 4.37Å
341E91.1Very high76.8Confident131 Ų13184.1 Ų84.161%0.61245%0.452SS*.EExtended strand (participates in β ladder)trans-82.3136.4174.6-63.4-172.6176.800109.1W289 D290 R339W289-E341 CarbonylContact C-O 3.6Å; W289-E341 WeakPolarHBondContact CA-O 3.48Å; D290-E341 HydrophobicContact CB-CB 4.37Å; D290-E341 PolarHBondContact N-O 3.29Å; D290-E341 PolarHBondContact O-N 2.95Å; R339-E341 PolarHBondContact O-N 2.95Å
342I93.5Very high77.5Confident74 Ų7483.7 Ų83.738%0.37945%0.45SS..EExtended strand (participates in β ladder)trans-125.5124.5-176.7-57.6172.9000108.2W287 H288 W289 I340W287-I342 HydrophobicContact CB-CG2 4.28Å; W287-I342 HydrophobicContact CD2-CG2 3.68Å; W287-I342 HydrophobicContact CE3-CD1 4.46Å; W287-I342 HydrophobicContact CE3-CG2 3.27Å; W287-I342 HydrophobicContact CG-CG2 4.12Å; W287-I342 HydrophobicContact CZ3-CD1 4.21Å; W287-I342 HydrophobicContact CZ3-CG2 3.78Å; H288-I342 WeakPolarHBondContact O-CA 3.47Å; W289-I342 HydrophobicContact CD2-CD1 4.4Å; W289-I342 HydrophobicContact CD2-CG1 4.17Å; W289-I342 HydrophobicContact CE3-CD1 3.69Å; W289-I342 HydrophobicContact CE3-CG1 3.71Å; W289-I342 HydrophobicContact CH2-CD1 3.74Å; W289-I342 HydrophobicContact CZ2-CD1 4.44Å; W289-I342 HydrophobicContact CZ3-CD1 3.32Å; W289-I342 HydrophobicContact CZ3-CG1 3.92Å; I340-I342 HydrophobicContact CG2-CG1 4.37Å
343T94.4Very high78.9Confident71 Ų7181.5 Ų81.544%0.43643%0.434SS..EExtended strand (participates in β ladder)trans-121.9124.2177.9-53.10000109.7W287 H288 L345W287-T343 WeakPolarHBondContact CA-O 3.3Å; H288-T343 PolarHBondContact N-O 3.29Å; H288-T343 PolarHBondContact O-N 3.2Å; T343-L345 HydrophobicContact CG2-CD2 3.96Å
344S94.9Very high80.7Confident67 Ų6776.1 Ų76.147%0.46940%0.401SS..EExtended strand (participates in β ladder)trans-80119.9168.4-178.80000109
345L95Very high82.9Confident20 Ų2071.7 Ų71.711%0.10538%0.377CS..  trans-88.6-26-172.8-63.9-170.4000113.2I4 F278 L286 H288 T343 L363 L378I4-L345 HydrophobicContact CD1-CB 3.73Å; I4-L345 WeakPolarHBondContact CD1-O 3.23Å; F278-L345 HydrophobicContact CD1-CD1 4.43Å; F278-L345 HydrophobicContact CE1-CD1 4.25Å; L286-L345 HydrophobicContact CD2-CB 3.85Å; L286-L345 HydrophobicContact CD2-CD1 3.58Å; L286-L345 HydrophobicContact CD2-CG 3.97Å; L286-L345 PolarHBondContact O-N 3.39Å; H288-L345 HydrophobicContact CB-CD1 3.96Å; H288-L345 HydrophobicContact CB-CD2 4.22Å; H288-L345 HydrophobicContact CB-CG 4.09Å; T343-L345 HydrophobicContact CG2-CD2 3.96Å; L345-L363 HydrophobicContact CD1-CD1 3.89Å; L345-L378 HydrophobicContact CD1-CD2 3.99Å
346L93.3Very high85.4Confident12 Ų1266.6 Ų66.66%0.06334%0.344CS..SBendtrans-97.8154.3-179.3-63.6-179.8000113I4 L286 T350 V353 Y373I4-L346 HydrophobicContact CG2-CD2 4.15Å; L286-L346 HydrophobicContact CB-CD1 3.81Å; L286-L346 HydrophobicContact CB-CG 3.93Å; L346-T350 HydrophobicContact CB-CG2 4.25Å; L346-T350 HydrophobicContact CD1-CG2 4.44Å; L346-V353 HydrophobicContact CD1-CG1 4.39Å; L346-V353 HydrophobicContact CD1-CG2 3.53Å; L346-Y373 HydrophobicContact CD1-CD2 4.48Å; L346-Y373 HydrophobicContact CD2-CD1 3.55Å; L346-Y373 HydrophobicContact CD2-CD2 4.12Å; L346-Y373 HydrophobicContact CD2-CE1 4.07Å; L346-Y373 HydrophobicContact CD2-CG 3.58Å
347P86.4Confident87.9Confident84 Ų8466.3 Ų66.355%0.54534%0.338SS..PPolyproline II helixtrans-60.3153.2175.2-21.332.6000112.8R349 T350P347-R349 PolarHBondContact O-N 3.12Å; P347-T350 PolarHBondContact O-OG1 3.41Å
348S76.9Confident90.1Very high110 Ų11062.5 Ų62.577%0.76932%0.322SS*.THydrogen-bonded Turntrans-61.6133.8171.460.60000111
349R79.6Confident92.1Very high244 Ų24457.2 Ų57.292%0.92129%0.293SS*.THydrogen-bonded Turntrans85.223.1177.7-48.4175.5174.9-163.7-2.7116.9P347P347-R349 PolarHBondContact O-N 3.12Å
350T90.1Very high93.3Very high21 Ų2151.8 Ų51.813%0.12928%0.28CS..  trans-59.4146.3156.933.80000110.4G284 L346 P347 Y373G284-T350 WeakPolarHBondContact O-CB 3.38Å; G284-T350 PolarHBondContact O-OG1 2.56Å; L346-T350 HydrophobicContact CB-CG2 4.25Å; L346-T350 HydrophobicContact CD1-CG2 4.44Å; P347-T350 PolarHBondContact O-OG1 3.41Å; T350-Y373 HydrophobicContact CG2-CE2 4.43Å
351L97.1Very high93.6Very high99 Ų9951.8 Ų51.852%0.51828%0.283SS..  trans-72.8176.4162.8-61.4-177.5000109.1G284 V353 D368 A369G284-L351 VanDerWaalsContact CA-O 3.24Å; G284-L351 WeakPolarHBondContact CA-O 3.47Å; L351-V353 PolarHBondContact O-N 2.83Å; L351-D368 HydrophobicContact CB-CB 3.97Å; L351-D368 HydrophobicContact CD1-CB 4.44Å; L351-A369 HydrophobicContact CB-CB 4.21Å; L351-A369 HydrophobicContact CD1-CB 4.18Å; L351-A369 HydrophobicContact CG-CB 4.21Å
352S98.4Very high93.7Very high4 Ų445.6 Ų45.63%0.02825%0.253CS..  trans-38.5130.6179.2-173.90000113.6W265 E282 N354 T367 D368W265-S352 PolarHBondContact NE1-OG 3Å; E282-S352 WeakPolarHBondContact CA-OG 3.5Å; E282-S352 WeakPolarHBondContact OE2-CB 3.4Å; E282-S352 PolarHBondContact OE2-OG 3.15Å; S352-N354 PolarHBondContact OG-OD1 3.18Å; S352-T367 CarbonylContact O-C 3.56Å; S352-T367 WeakPolarHBondContact O-CA 3.24Å; S352-T367 VanDerWaalsContact O-CB 3.29Å; S352-T367 WeakPolarHBondContact O-CB 3.26Å; S352-D368 PolarHBondContact O-N 3.29Å
353V98.6Very high93.9Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-99.998173.8-175.90000107.4C280 S281 G284 L286 L346 L351 C365 T367C280-V353 HydrophobicContact CB-CB 3.83Å; C280-V353 HydrophobicContact CB-CG1 3.48Å; C280-V353 VanDerWaalsContact CB-CG1 3.48Å; C280-V353 WeakPolarHBondContact CB-O 3.26Å; C280-V353 PolarHBondContact SG-O 3.03Å; S281-V353 PolarHBondContact O-N 3.41Å; G284-V353 WeakPolarHBondContact O-CG2 3.3Å; L286-V353 HydrophobicContact CB-CG1 4.48Å; L286-V353 HydrophobicContact CD1-CG1 4.22Å; L346-V353 HydrophobicContact CD1-CG1 4.39Å; L346-V353 HydrophobicContact CD1-CG2 3.53Å; L351-V353 PolarHBondContact O-N 2.83Å; V353-C365 HydrophobicContact CG1-CB 4.04Å; V353-T367 HydrophobicContact CB-CG2 4.39Å; V353-T367 HydrophobicContact CG1-CG2 4.41Å; V353-T367 HydrophobicContact CG2-CG2 3.91Å
354N98.6Very high94.1Very high11 Ų1138.8 Ų38.86%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-78.7-25-167.2-57.6-42.3000113.6I13 W37 S352 G366 D368I13-N354 WeakPolarHBondContact O-CB 3.4Å; I13-N354 PolarHBondContact O-ND2 2.9Å; W37-N354 PolarHBondContact NE1-ND2 3.12Å; S352-N354 PolarHBondContact OG-OD1 3.18Å; N354-G366 PolarHBondContact N-O 3.39Å; N354-D368 PolarHBondContact ND2-OD1 2.94Å
355S98.7Very high94.3Very high0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-160.4148.9-173.7-175.10000111.8S14 K15 T16 R17 E266 C365 G366S14-S355 VanDerWaalsContact O-CB 3.26Å; S14-S355 WeakPolarHBondContact O-CB 3.41Å; K15-S355 WeakPolarHBondContact CA-OG 3.37Å; T16-S355 PolarHBondContact N-OG 3.07Å; R17-S355 PolarHBondContact NH1-OG 2.72Å; E266-S355 VanDerWaalsContact CD-OG 3.24Å; E266-S355 WeakPolarHBondContact OE1-CB 3.3Å; E266-S355 PolarHBondContact OE1-OG 3.1Å; E266-S355 WeakPolarHBondContact OE2-CA 3.26Å; E266-S355 PolarHBondContact OE2-OG 2.83Å; S355-C365 CarbonylContact O-C 3.58Å; S355-C365 WeakPolarHBondContact O-CA 3.36Å; S355-C365 WeakPolarHBondContact O-CB 3.29Å; S355-G366 PolarHBondContact O-N 3.11Å
356L98.6Very high94.4Very high0 Ų034.6 Ų34.60%019%0.188CC..EExtended strand (participates in β ladder)trans-138.8158.1171.673.489.3000110.1R17 E266 H268 F278 C280 L286 V358 V364 C365R17-L356 PolarHBondContact NH1-O 3.28Å; E266-L356 PolarHBondContact OE2-N 2.92Å; H268-L356 HydrophobicContact CB-CD1 4.09Å; H268-L356 VanDerWaalsContact CD2-CD1 3.46Å; H268-L356 WeakPolarHBondContact CD2-CD1 3.29Å; H268-L356 PolarHBondContact NE2-O 3.42Å; F278-L356 HydrophobicContact CB-CD1 3.76Å; F278-L356 HydrophobicContact CB-CD2 3.97Å; C280-L356 HydrophobicContact CB-CD2 3.82Å; L286-L356 HydrophobicContact CD1-CB 3.95Å; L286-L356 HydrophobicContact CD1-CD2 4.23Å; L286-L356 HydrophobicContact CG-CD2 4.26Å; L356-V358 HydrophobicContact CD1-CG1 4.24Å; L356-V364 CarbonylContact C-O 3.1Å; L356-V364 VanDerWaalsContact CA-O 3.25Å; L356-V364 WeakPolarHBondContact CA-O 3.31Å; L356-C365 HydrophobicContact CB-CB 3.94Å
357D98.7Very high94.6Very high27 Ų2734 Ų3414%0.14419%0.185CC..EExtended strand (participates in β ladder)trans-146.4147.1164.4-166.914.2000111T16 R17 W18 L363 V364T16-D357 WeakPolarHBondContact O-CB 3.32Å; R17-D357 VanDerWaalsContact CA-OD2 3.27Å; R17-D357 WeakPolarHBondContact CA-OD2 3.48Å; W18-D357 PolarHBondContact N-OD2 2.73Å; W18-D357 PolarHBondContact NE1-O 3.42Å; D357-L363 WeakPolarHBondContact O-CA 3.36Å; D357-V364 HydrophobicContact CB-CG1 4.07Å; D357-V364 PolarHBondContact N-O 2.78Å; D357-V364 PolarHBondContact O-N 3.42Å
358V97.8Very high95.2Very high2 Ų231.2 Ų31.21%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-131.6126-175.4-68.90000111.3H268 P271 F278 L356 C362 L363 L378H268-V358 HydrophobicContact CB-CG2 4.4Å; P271-V358 WeakPolarHBondContact CD-O 3.39Å; P271-V358 WeakPolarHBondContact CG-O 3.11Å; F278-V358 HydrophobicContact CD1-CG1 4.23Å; F278-V358 HydrophobicContact CD2-CB 4.21Å; F278-V358 HydrophobicContact CD2-CG1 3.71Å; F278-V358 HydrophobicContact CD2-CG2 3.75Å; F278-V358 HydrophobicContact CE1-CG1 4.34Å; F278-V358 HydrophobicContact CE2-CB 4.18Å; F278-V358 HydrophobicContact CE2-CG1 3.83Å; F278-V358 HydrophobicContact CE2-CG2 4.02Å; F278-V358 HydrophobicContact CG-CG1 3.91Å; F278-V358 HydrophobicContact CZ-CG1 4.15Å; L356-V358 HydrophobicContact CD1-CG1 4.24Å; V358-C362 VanDerWaalsContact CA-O 3.32Å; V358-C362 WeakPolarHBondContact CA-O 3.41Å; V358-L363 HydrophobicContact CG1-CB 4.05Å; V358-L363 HydrophobicContact CG1-CD1 3.65Å; V358-L363 HydrophobicContact CG1-CG 3.85Å; V358-L378 HydrophobicContact CG1-CD1 4.4Å
359L96.1Very high96.1Very high48 Ų4827.3 Ų27.325%0.25114%0.139SC..EExtended strand (participates in β ladder)trans-141.3104178.6-174.356.8000110.7W18 V21 A29 C362W18-L359 HydrophobicContact CB-CB 4.02Å; W18-L359 HydrophobicContact CB-CD2 3.94Å; W18-L359 HydrophobicContact CG-CB 4Å; V21-L359 HydrophobicContact CG2-CD2 4.07Å; A29-L359 HydrophobicContact CB-CB 4.34Å; A29-L359 HydrophobicContact CB-CD2 3.97Å; A29-L359 HydrophobicContact CB-CG 4.33Å; L359-C362 PolarHBondContact N-O 3Å; L359-C362 WeakPolarHBondContact O-CB 3.29Å; L359-C362 PolarHBondContact O-N 3.31Å
360G93.5Very high97Very high22 Ų2219.5 Ų19.523%0.22711%0.113CC..THydrogen-bonded Turntrans62.9-132.7-172.700000110.4H270 C362H270-G360 PolarHBondContact NE2-O 3.42Å; G360-C362 PolarHBondContact O-N 2.66Å
361P93.7Very high97.2Very high41 Ų4118.5 Ų18.527%0.26611%0.107SC..THydrogen-bonded Turntrans-78.84.6178.735.7-36.4000113.4T28 R376 Q377 L378 F379T28-P361 HydrophobicContact CG2-CG 3.62Å; P361-R376 CarbonylContact O-C 3.47Å; P361-Q377 PolarHBondContact O-N 2.89Å; P361-L378 WeakPolarHBondContact O-CB 3.43Å; P361-L378 WeakPolarHBondContact O-CG 3.09Å; P361-L378 PolarHBondContact O-N 2.86Å; P361-F379 HydrophobicContact CB-CD2 4.42Å
362C94.9Very high97.2Very high0 Ų013.8 Ų13.80%08%0.082CC..EExtended strand (participates in β ladder)trans-101.2134.3-173.5-52.80000111.7W18 A29 V358 L359 G360 T375W18-C362 HydrophobicContact CH2-CB 4.18Å; W18-C362 HydrophobicContact CZ2-CB 3.64Å; W18-C362 PolarHBondContact NE1-O 3.48Å; A29-C362 HydrophobicContact CB-CB 4.25Å; V358-C362 VanDerWaalsContact CA-O 3.32Å; V358-C362 WeakPolarHBondContact CA-O 3.41Å; L359-C362 PolarHBondContact N-O 3Å; L359-C362 WeakPolarHBondContact O-CB 3.29Å; L359-C362 PolarHBondContact O-N 3.31Å; G360-C362 PolarHBondContact O-N 2.66Å; C362-T375 CarbonylContact C-O 3.59Å; C362-T375 VanDerWaalsContact CA-O 3.28Å; C362-T375 WeakPolarHBondContact CA-O 3.46Å
363L97.3Very high97.1Very high2 Ų214.7 Ų14.71%0.019%0.085CC..EExtended strand (participates in β ladder)trans-127.3137.1171.9-176.3147.3000109.3F278 L286 L345 D357 V358 C365 V374 T375 L378F278-L363 HydrophobicContact CD1-CD1 3.78Å; F278-L363 HydrophobicContact CE1-CD1 3.92Å; L286-L363 HydrophobicContact CD1-CD1 4.5Å; L286-L363 HydrophobicContact CD1-CD2 4.06Å; L286-L363 HydrophobicContact CD2-CD1 3.91Å; L345-L363 HydrophobicContact CD1-CD1 3.89Å; D357-L363 WeakPolarHBondContact O-CA 3.36Å; V358-L363 HydrophobicContact CG1-CB 4.05Å; V358-L363 HydrophobicContact CG1-CD1 3.65Å; V358-L363 HydrophobicContact CG1-CG 3.85Å; L363-C365 HydrophobicContact CD2-CB 4.44Å; L363-V374 VanDerWaalsContact O-CA 3.32Å; L363-V374 WeakPolarHBondContact O-CA 3.42Å; L363-T375 HydrophobicContact CB-CG2 3.8Å; L363-T375 PolarHBondContact N-O 3.27Å; L363-T375 PolarHBondContact O-N 2.74Å; L363-L378 HydrophobicContact CB-CD1 3.84Å; L363-L378 HydrophobicContact CB-CD2 3.9Å; L363-L378 HydrophobicContact CB-CG 3.98Å; L363-L378 HydrophobicContact CD1-CD1 4.47Å; L363-L378 HydrophobicContact CD1-CD2 4.01Å
364V97.9Very high96.9Very high0 Ų014.9 Ų14.90%09%0.086CC..EExtended strand (participates in β ladder)trans-127.2143.1167.5630000108.7T16 W18 F32 L356 D357 I372 Y373 V374T16-V364 HydrophobicContact CG2-CG2 4.2Å; W18-V364 HydrophobicContact CD2-CG1 4.25Å; W18-V364 HydrophobicContact CG-CG1 4.37Å; W18-V364 HydrophobicContact CZ2-CB 3.79Å; W18-V364 HydrophobicContact CZ2-CG1 4.17Å; F32-V364 HydrophobicContact CB-CG1 4.49Å; F32-V364 HydrophobicContact CD2-CG2 3.94Å; F32-V364 HydrophobicContact CE2-CG2 4.02Å; F32-V364 HydrophobicContact CG-CG2 4.23Å; F32-V364 HydrophobicContact CZ-CG2 4.37Å; L356-V364 CarbonylContact C-O 3.1Å; L356-V364 VanDerWaalsContact CA-O 3.25Å; L356-V364 WeakPolarHBondContact CA-O 3.31Å; D357-V364 HydrophobicContact CB-CG1 4.07Å; D357-V364 PolarHBondContact N-O 2.78Å; D357-V364 PolarHBondContact O-N 3.42Å; V364-I372 HydrophobicContact CG2-CG2 3.71Å; V364-Y373 CarbonylContact C-O 3.55Å; V364-Y373 VanDerWaalsContact CA-O 3.3Å; V364-Y373 WeakPolarHBondContact CA-O 3.26Å; V364-V374 HydrophobicContact CB-CG2 4.18Å; V364-V374 HydrophobicContact CG2-CG2 3.78Å
365C98.3Very high96.6Very high0 Ų014.5 Ų14.50%08%0.084CC..EExtended strand (participates in β ladder)trans-144.4152.5168.973.50000112.2L286 V353 S355 L356 L363 I372 Y373L286-C365 HydrophobicContact CD1-CB 3.47Å; L286-C365 VanDerWaalsContact CD1-CB 3.47Å; L286-C365 VanDerWaalsContact CD1-SG 3.57Å; V353-C365 HydrophobicContact CG1-CB 4.04Å; S355-C365 CarbonylContact O-C 3.58Å; S355-C365 WeakPolarHBondContact O-CA 3.36Å; S355-C365 WeakPolarHBondContact O-CB 3.29Å; L356-C365 HydrophobicContact CB-CB 3.94Å; L363-C365 HydrophobicContact CD2-CB 4.44Å; C365-I372 CarbonylContact O-C 3.57Å; C365-I372 WeakPolarHBondContact O-CA 3.23Å; C365-Y373 PolarHBondContact N-O 3.43Å; C365-Y373 PolarHBondContact O-N 3.04Å
366G98.2Very high96.2Very high0 Ų015.7 Ų15.70%09%0.089CC..EExtended strand (participates in β ladder)trans-114.2147.2179.800000111.9N354 S355N354-G366 PolarHBondContact N-O 3.39Å; S355-G366 PolarHBondContact O-N 3.11Å
367T98.4Very high95.7Very high0 Ų020.5 Ų20.50%011%0.112CC..EExtended strand (participates in β ladder)trans-135164.6-17668.40000113.3I13 S352 V353 A369 E370 A371 Y373I13-T367 PolarHBondContact N-O 3.06Å; S352-T367 CarbonylContact O-C 3.56Å; S352-T367 WeakPolarHBondContact O-CA 3.24Å; S352-T367 VanDerWaalsContact O-CB 3.29Å; S352-T367 WeakPolarHBondContact O-CB 3.26Å; V353-T367 HydrophobicContact CB-CG2 4.39Å; V353-T367 HydrophobicContact CG1-CG2 4.41Å; V353-T367 HydrophobicContact CG2-CG2 3.91Å; T367-A369 PolarHBondContact O-N 2.83Å; T367-A369 PolarHBondContact OG1-N 3.17Å; T367-E370 PolarHBondContact O-N 2.97Å; T367-A371 PolarHBondContact N-O 3.47Å; T367-A371 PolarHBondContact OG1-N 3.47Å; T367-A371 PolarHBondContact OG1-O 3.16Å; T367-Y373 HydrophobicContact CG2-CD2 3.94Å; T367-Y373 HydrophobicContact CG2-CE2 3.73Å
368D98.1Very high95.2Very high25 Ų2519.5 Ų19.513%0.13411%0.106CC..THydrogen-bonded Turntrans-72.9-9.7170.7-93.917.2000114.2W37 L351 S352 N354 E370W37-D368 VanDerWaalsContact CZ2-OD1 3.26Å; W37-D368 WeakPolarHBondContact CZ2-OD1 3.17Å; W37-D368 PolarHBondContact NE1-OD1 3.4Å; L351-D368 HydrophobicContact CB-CB 3.97Å; L351-D368 HydrophobicContact CD1-CB 4.44Å; S352-D368 PolarHBondContact O-N 3.29Å; N354-D368 PolarHBondContact ND2-OD1 2.94Å; D368-E370 PolarHBondContact O-N 2.61Å; D368-E370 VanDerWaalsContact O-N 3.16Å
369A96.8Very high94.6Very high27 Ų2723.8 Ų23.822%0.22313%0.125CC..THydrogen-bonded Turntrans-79.318.2171.800000112.7F8 L351 T367 A371F8-A369 WeakPolarHBondContact CD1-O 3.26Å; L351-A369 HydrophobicContact CB-CB 4.21Å; L351-A369 HydrophobicContact CD1-CB 4.18Å; L351-A369 HydrophobicContact CG-CB 4.21Å; T367-A369 PolarHBondContact O-N 2.83Å; T367-A369 PolarHBondContact OG1-N 3.17Å; A369-A371 HydrophobicContact CB-CB 4.47Å; A369-A371 PolarHBondContact O-N 3.13Å
370E96.8Very high93.4Very high80 Ų8027.6 Ų27.637%0.37416%0.155SC..SBendtrans54.331.2-174.1-53177.7164.900112.7F8 V9 S10 Q11 K12 T367 D368F8-E370 CarbonylContact C-O 3.59Å; F8-E370 VanDerWaalsContact CA-O 3.31Å; F8-E370 WeakPolarHBondContact CA-O 3.23Å; V9-E370 PolarHBondContact N-O 3.04Å; S10-E370 WeakPolarHBondContact CA-OE2 3.37Å; Q11-E370 VanDerWaalsContact O-CA 3.26Å; Q11-E370 WeakPolarHBondContact O-CA 3.22Å; K12-E370 HydrophobicContact CG-CG 4.36Å; T367-E370 PolarHBondContact O-N 2.97Å; D368-E370 PolarHBondContact O-N 2.61Å; D368-E370 VanDerWaalsContact O-N 3.16Å
371A95.4Very high93.4Very high0 Ų027.9 Ų27.90%015%0.152CC..EExtended strand (participates in β ladder)trans-122.3140.4-172.400000112.1K7 F8 T367 A369 Y373K7-A371 WeakPolarHBondContact O-CA 3.4Å; F8-A371 HydrophobicContact CD1-CB 3.9Å; F8-A371 HydrophobicContact CE1-CB 3.87Å; T367-A371 PolarHBondContact N-O 3.47Å; T367-A371 PolarHBondContact OG1-N 3.47Å; T367-A371 PolarHBondContact OG1-O 3.16Å; A369-A371 HydrophobicContact CB-CB 4.47Å; A369-A371 PolarHBondContact O-N 3.13Å; A371-Y373 HydrophobicContact CB-CD2 4.47Å; A371-Y373 HydrophobicContact CB-CE2 3.81Å
372I96.6Very high93.4Very high0 Ų027.2 Ų27.20%015%0.145CC..EExtended strand (participates in β ladder)trans-108127169.4-58.3169.8000107.5A6 K7 V9 I13 F32 T34 W47 V364 C365 V374A6-I372 CarbonylContact C-O 3.6Å; A6-I372 WeakPolarHBondContact CA-O 3.46Å; K7-I372 PolarHBondContact N-O 3.5Å; K7-I372 PolarHBondContact O-N 3.13Å; V9-I372 HydrophobicContact CB-CD1 4.43Å; V9-I372 HydrophobicContact CG1-CD1 3.68Å; V9-I372 HydrophobicContact CG1-CG1 4.27Å; V9-I372 HydrophobicContact CG2-CD1 3.99Å; V9-I372 HydrophobicContact CG2-CG1 4.09Å; I13-I372 HydrophobicContact CG1-CD1 4.48Å; I13-I372 HydrophobicContact CG1-CG1 3.96Å; F32-I372 HydrophobicContact CE2-CD1 4.19Å; F32-I372 HydrophobicContact CE2-CG2 3.95Å; F32-I372 HydrophobicContact CZ-CG2 4.02Å; T34-I372 HydrophobicContact CG2-CD1 3.82Å; W47-I372 HydrophobicContact CZ2-CD1 4.31Å; V364-I372 HydrophobicContact CG2-CG2 3.71Å; C365-I372 CarbonylContact O-C 3.57Å; C365-I372 WeakPolarHBondContact O-CA 3.23Å; I372-V374 HydrophobicContact CG2-CG2 4.07Å
373Y95.4Very high93.3Very high24 Ų2428.7 Ų28.79%0.09415%0.154CC..EExtended strand (participates in β ladder)trans-106.3138.4173-62.7-101.8000110.1I4 Y5 A6 L346 T350 V364 C365 T367 A371I4-Y373 HydrophobicContact CG2-CD1 3.96Å; I4-Y373 HydrophobicContact CG2-CG 4.35Å; Y5-Y373 CarbonylContact O-C 3.54Å; Y5-Y373 VanDerWaalsContact O-CA 3.24Å; Y5-Y373 WeakPolarHBondContact O-CA 3.2Å; A6-Y373 HydrophobicContact CB-CD1 3.63Å; A6-Y373 HydrophobicContact CB-CE1 3.43Å; A6-Y373 VanDerWaalsContact CB-CE1 3.43Å; A6-Y373 HydrophobicContact CB-CG 4.36Å; L346-Y373 HydrophobicContact CD1-CD2 4.48Å; L346-Y373 HydrophobicContact CD2-CD1 3.55Å; L346-Y373 HydrophobicContact CD2-CD2 4.12Å; L346-Y373 HydrophobicContact CD2-CE1 4.07Å; L346-Y373 HydrophobicContact CD2-CG 3.58Å; T350-Y373 HydrophobicContact CG2-CE2 4.43Å; V364-Y373 CarbonylContact C-O 3.55Å; V364-Y373 VanDerWaalsContact CA-O 3.3Å; V364-Y373 WeakPolarHBondContact CA-O 3.26Å; C365-Y373 PolarHBondContact N-O 3.43Å; C365-Y373 PolarHBondContact O-N 3.04Å; T367-Y373 HydrophobicContact CG2-CD2 3.94Å; T367-Y373 HydrophobicContact CG2-CE2 3.73Å; A371-Y373 HydrophobicContact CB-CD2 4.47Å; A371-Y373 HydrophobicContact CB-CE2 3.81Å
374V94.8Very high93.1Very high3 Ų330.2 Ų30.22%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-137.7139.3-179.7175.50000110.4Y5 W18 F32 I49 H65 L363 V364 I372 R376Y5-V374 PolarHBondContact N-O 3.4Å; Y5-V374 PolarHBondContact O-N 2.99Å; W18-V374 HydrophobicContact CH2-CG1 4.09Å; W18-V374 HydrophobicContact CZ2-CG1 4.29Å; F32-V374 HydrophobicContact CE1-CG2 4.14Å; F32-V374 HydrophobicContact CZ-CG2 4.26Å; I49-V374 HydrophobicContact CD1-CG1 3.63Å; H65-V374 WeakPolarHBondContact CE1-CG2 3.25Å; L363-V374 VanDerWaalsContact O-CA 3.32Å; L363-V374 WeakPolarHBondContact O-CA 3.42Å; V364-V374 HydrophobicContact CB-CG2 4.18Å; V364-V374 HydrophobicContact CG2-CG2 3.78Å; I372-V374 HydrophobicContact CG2-CG2 4.07Å; V374-R376 HydrophobicContact CG1-CG 4.44Å
375T92.4Very high92.8Very high3 Ų332.1 Ų32.12%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-131.3144.8158.5173.20000109.3I4 C362 L363 Q377 L378I4-T375 HydrophobicContact CD1-CG2 4.46Å; I4-T375 HydrophobicContact CG1-CG2 3.8Å; C362-T375 CarbonylContact C-O 3.59Å; C362-T375 VanDerWaalsContact CA-O 3.28Å; C362-T375 WeakPolarHBondContact CA-O 3.46Å; L363-T375 HydrophobicContact CB-CG2 3.8Å; L363-T375 PolarHBondContact N-O 3.27Å; L363-T375 PolarHBondContact O-N 2.74Å; T375-Q377 PolarHBondContact OG1-N 3.35Å; T375-Q377 VanDerWaalsContact OG1-N 3.12Å; T375-L378 HydrophobicContact CG2-CD2 3.69Å; T375-L378 HydrophobicContact CG2-CG 3.96Å
376R90.8Very high92.4Very high26 Ų2634.3 Ų34.310%0.09818%0.184CC..SBendtrans-108.37.9172.5-64.8-179.771.9-162.80.2112.3T28 A29 D51 F52 P361 V374T28-R376 PolarHBondContact OG1-NH2 3.24Å; T28-R376 VanDerWaalsContact OG1-NH2 3.08Å; A29-R376 PolarHBondContact O-NE 2.94Å; D51-R376 IonicContact OD1-NH1 2.85Å; F52-R376 HydrophobicContact CE2-CB 4.42Å; P361-R376 CarbonylContact O-C 3.47Å; V374-R376 HydrophobicContact CG1-CG 4.44Å
377Q88.3Confident92Very high101 Ų10136.7 Ų36.747%0.47220%0.197SC..  trans-140.255.3-171.5-62.6-1755.100111.3P361 T375 F379 S380P361-Q377 PolarHBondContact O-N 2.89Å; T375-Q377 PolarHBondContact OG1-N 3.35Å; T375-Q377 VanDerWaalsContact OG1-N 3.12Å; Q377-F379 PolarHBondContact O-N 2.7Å; Q377-S380 PolarHBondContact O-OG 2.72Å
378L88.1Confident91.5Very high5 Ų539.5 Ų39.53%0.02621%0.212CC..THydrogen-bonded Turntrans-59.5-24.6179-83173.4000115.2F278 L345 V358 P361 L363 T375F278-L378 HydrophobicContact CE1-CD1 4.27Å; F278-L378 HydrophobicContact CE1-CD2 4.29Å; F278-L378 HydrophobicContact CZ-CD1 3.91Å; L345-L378 HydrophobicContact CD1-CD2 3.99Å; V358-L378 HydrophobicContact CG1-CD1 4.4Å; P361-L378 WeakPolarHBondContact O-CB 3.43Å; P361-L378 WeakPolarHBondContact O-CG 3.09Å; P361-L378 PolarHBondContact O-N 2.86Å; L363-L378 HydrophobicContact CB-CD1 3.84Å; L363-L378 HydrophobicContact CB-CD2 3.9Å; L363-L378 HydrophobicContact CB-CG 3.98Å; L363-L378 HydrophobicContact CD1-CD1 4.47Å; L363-L378 HydrophobicContact CD1-CD2 4.01Å; T375-L378 HydrophobicContact CG2-CD2 3.69Å; T375-L378 HydrophobicContact CG2-CG 3.96Å
379F85.4Confident90.9Very high93 Ų9340.8 Ų40.841%0.40822%0.218SC..THydrogen-bonded Turntrans-123.617.6-169.5-52.4-66.1000113.2H276 P361 Q377H276-F379 AromaticContact CD2-CE1 3.86Å; H276-F379 AromaticContact CD2-CZ 3.99Å; H276-F379 AromaticContact NE2-CE1 3.86Å; P361-F379 HydrophobicContact CB-CD2 4.42Å; Q377-F379 PolarHBondContact O-N 2.7Å
380S70.5Confident90.4Very high127 Ų12742 Ų4289%0.88822%0.218SC*.  trans-86.60-171.462.80000114.8Q377Q377-S380 PolarHBondContact O-OG 2.72Å

Retrieved 380 of 380 residues in 461.8 ms (Link to these results)

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