A0A060Y8P6_ONCMY Loading...

PRELI/MSF1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A060Y8P6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494766, Length 194 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
1M62.6Low85.1Confident149 Ų14978.7 Ų78.773%0.73440%0.397SS*.  0118.80-175.6175.181.300107.6I130 E142M1-I130 VanDerWaalsContact CA-O 3.28Å; M1-I130 WeakPolarHBondContact CA-O 3.36Å; M1-E142 PolarHBondContact N-OE1 3.31Å; M1-E142 PolarHBondContact N-OE2 3.41Å
2K72.4Confident85.8Confident85 Ų8575.2 Ų75.237%0.3738%0.378SS..EExtended strand (participates in β ladder)trans-116.7137.2175.6-79.7-170.2177.5175.90110.1I130 E142K2-I130 PolarHBondContact N-O 3.08Å; K2-I130 PolarHBondContact O-N 3.42Å; K2-E142 HydrophobicContact CD-CB 4.08Å; K2-E142 HydrophobicContact CG-CB 4.25Å
3I81.1Confident86.4Confident111 Ų11171.8 Ų71.857%0.56936%0.364SS*.EExtended strand (participates in β ladder)trans-104.1127172.5-44-171.9000106.6T5 A128 L129I3-T5 HydrophobicContact CG2-CG2 4.12Å; I3-A128 WeakPolarHBondContact CA-O 3.43Å; I3-L129 HydrophobicContact CB-CD2 4.36Å; I3-L129 HydrophobicContact CD1-CD2 4.1Å; I3-L129 HydrophobicContact CG1-CD2 3.74Å; I3-L129 HydrophobicContact CG2-CD2 4.18Å
4W81.9Confident87Confident48 Ų4867.8 Ų67.818%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-117.6130.6171178.184.2000108.3S6 Q126 E127 A128 I149 A153W4-S6 VanDerWaalsContact CZ2-CB 3.42Å; W4-Q126 HydrophobicContact CZ3-CB 3.97Å; W4-E127 CarbonylContact O-C 3.58Å; W4-E127 WeakPolarHBondContact O-CA 3.37Å; W4-A128 HydrophobicContact CB-CB 4.42Å; W4-A128 HydrophobicContact CE3-CB 4.11Å; W4-A128 PolarHBondContact N-O 3.09Å; W4-A128 PolarHBondContact O-N 2.77Å; W4-I149 HydrophobicContact CD2-CG2 4.5Å; W4-I149 HydrophobicContact CE3-CG2 4.09Å; W4-I149 HydrophobicContact CZ3-CG2 4.34Å; W4-A153 HydrophobicContact CH2-CB 3.43Å; W4-A153 VanDerWaalsContact CH2-CB 3.43Å; W4-A153 HydrophobicContact CZ2-CB 4.09Å; W4-A153 HydrophobicContact CZ3-CB 4.24Å
5T86.7Confident87.4Confident89 Ų8969.2 Ų69.255%0.54635%0.347SS..EExtended strand (participates in β ladder)trans-129.1137.6179.555.70000109.2I3 Q126 E127I3-T5 HydrophobicContact CG2-CG2 4.12Å; T5-Q126 CarbonylContact C-O 3.51Å; T5-Q126 VanDerWaalsContact CA-O 3.26Å; T5-Q126 WeakPolarHBondContact CA-O 3.33Å; T5-E127 HydrophobicContact CG2-CB 4.48Å; T5-E127 HydrophobicContact CG2-CG 4.15Å
6S88.8Confident87.7Confident28 Ų2866.9 Ų66.920%0.19634%0.338CS..EExtended strand (participates in β ladder)trans-143.3140.1176.3-175.20000110.2W4 Q126W4-S6 VanDerWaalsContact CZ2-CB 3.42Å; S6-Q126 PolarHBondContact N-O 3.45Å; S6-Q126 PolarHBondContact O-N 3.24Å
7E92.1Very high88.1Confident127 Ų12763 Ų6359%0.59332%0.318SS*.EExtended strand (participates in β ladder)trans-112.9141.9171.4-170.317486.600109.6I123 L124E7-I123 HydrophobicContact CG-CG2 3.89Å; E7-L124 CarbonylContact C-O 3.59Å; E7-L124 WeakPolarHBondContact CA-O 3.1Å
8H91.9Very high88.4Confident50 Ų5060 Ų6023%0.23130%0.304CS..EExtended strand (participates in β ladder)trans-143.4144175.6-174.863000110.8F10 L124 R157H8-F10 AromaticContact CD2-CE1 3.78Å; H8-F10 AromaticContact CD2-CE2 3.85Å; H8-F10 AromaticContact CD2-CZ 3.69Å; H8-F10 AromaticContact NE2-CE1 3.88Å; H8-L124 PolarHBondContact N-O 3.12Å; H8-L124 PolarHBondContact O-N 3.41Å; H8-R157 VanDerWaalsContact CD2-CD 3.43Å; H8-R157 WeakPolarHBondContact CD2-CD 3.47Å
9I93.6Very high88.6Confident65 Ų6561.9 Ų61.933%0.33331%0.31SS..EExtended strand (participates in β ladder)trans-111.5119178.3-56.1174.7000108.1K121 T122 I123I9-K121 HydrophobicContact CG2-CB 4.12Å; I9-K121 HydrophobicContact CG2-CD 4.11Å; I9-T122 WeakPolarHBondContact CA-O 3.36Å; I9-I123 HydrophobicContact CG1-CG1 4.45Å
10F91.9Very high88.8Confident0 Ų058.9 Ų58.90%029%0.294CS..EExtended strand (participates in β ladder)trans-86.3132.7168.4-67.4-77.8000109.4H8 H12 V17 Y112 K121 T122 L124 R157 M160H8-F10 AromaticContact CD2-CE1 3.78Å; H8-F10 AromaticContact CD2-CE2 3.85Å; H8-F10 AromaticContact CD2-CZ 3.69Å; H8-F10 AromaticContact NE2-CE1 3.88Å; F10-H12 PolarHBondContact O-N 2.88Å; F10-V17 HydrophobicContact CB-CG2 4Å; F10-V17 HydrophobicContact CD2-CG1 4.19Å; F10-V17 HydrophobicContact CG-CG2 4.38Å; F10-Y112 HydrophobicContact CE2-CE1 4.1Å; F10-K121 WeakPolarHBondContact O-CA 3.41Å; F10-T122 PolarHBondContact N-O 3.04Å; F10-T122 PolarHBondContact O-N 3.26Å; F10-L124 HydrophobicContact CD2-CB 4.17Å; F10-L124 HydrophobicContact CE2-CB 3.74Å; F10-L124 HydrophobicContact CE2-CD2 3.63Å; F10-L124 HydrophobicContact CE2-CG 4.32Å; F10-L124 HydrophobicContact CZ-CD2 4.08Å; F10-R157 HydrophobicContact CZ-CG 4.35Å; F10-M160 HydrophobicContact CE1-CB 3.84Å; F10-M160 HydrophobicContact CZ-CB 4.02Å; F10-M160 HydrophobicContact CZ-CG 4.25Å
11N93.4Very high88.9Confident114 Ų11456.2 Ų56.261%0.6128%0.282SS*.SBendtrans-83.847.4174.7-64.2-53.2000111.4K121N11-K121 VanDerWaalsContact OD1-CE 3.26Å; N11-K121 WeakPolarHBondContact OD1-CE 3.44Å
12H92.8Very high90.3Very high36 Ų3651.9 Ų51.917%0.16726%0.26CS..SBendtrans-142.5148.1-179.7-59.5-79.9000109.6F10 V17 E120 K121 T122 E161 I164F10-H12 PolarHBondContact O-N 2.88Å; H12-V17 HydrophobicContact CB-CG2 3.8Å; H12-E120 CarbonylContact C-O 3.56Å; H12-E120 WeakPolarHBondContact CA-O 3.22Å; H12-E120 PolarHBondContact N-O 3.45Å; H12-K121 CarbonylContact O-C 3.55Å; H12-T122 PolarHBondContact O-N 3.07Å; H12-T122 PolarHBondContact O-OG1 3.46Å; H12-E161 IonicContact CD2-OE1 3.01Å; H12-E161 IonicContact CD2-OE2 3.96Å; H12-E161 IonicContact CE1-OE2 3.98Å; H12-E161 IonicContact NE2-OE1 3.39Å; H12-E161 PolarHBondContact NE2-OE1 3.33Å; H12-E161 IonicContact NE2-OE2 2.92Å; H12-E161 PolarHBondContact NE2-OE2 3.02Å; H12-I164 HydrophobicContact CB-CD1 4.41Å
13P94.3Very high91Very high31 Ų3152.5 Ų52.520%0.20127%0.265CS..  trans-65.1152.6179.226.9-34.9000111.2E15 T16 V17P13-E15 PolarHBondContact O-N 2.98Å; P13-T16 PolarHBondContact O-N 3.05Å; P13-T16 VanDerWaalsContact O-N 3.08Å; P13-V17 PolarHBondContact O-N 2.78Å; P13-V17 VanDerWaalsContact O-N 3.07Å
14W94.9Very high91.4Very high16 Ų1649.1 Ų49.16%0.06125%0.246CC..Hα-helixtrans-58.4-35.7-172.6174.387.8000113.1T16 V17 T18 V84 K89 F91 Y112 P114 T122W14-T16 PolarHBondContact O-N 3.48Å; W14-V17 PolarHBondContact O-N 2.83Å; W14-T18 HydrophobicContact CZ2-CG2 4.35Å; W14-T18 PolarHBondContact NE1-OG1 3.5Å; W14-T18 VanDerWaalsContact O-CB 3.25Å; W14-T18 WeakPolarHBondContact O-CB 3.43Å; W14-T18 PolarHBondContact O-N 3.46Å; W14-T18 PolarHBondContact O-OG1 3.14Å; W14-V84 HydrophobicContact CH2-CG1 3.78Å; W14-V84 HydrophobicContact CZ2-CG1 4.02Å; W14-K89 HydrophobicContact CD2-CB 4Å; W14-K89 VanDerWaalsContact CE2-C 3.49Å; W14-K89 HydrophobicContact CE3-CB 4.03Å; W14-K89 HydrophobicContact CE3-CD 4.42Å; W14-K89 HydrophobicContact CE3-CG 4.23Å; W14-K89 HydrophobicContact CG-CB 4.49Å; W14-K89 HydrophobicContact CZ2-CB 4.5Å; W14-K89 HydrophobicContact CZ3-CB 4.3Å; W14-K89 HydrophobicContact CZ3-CG 4.35Å; W14-K89 PolarHBondContact NE1-O 3.37Å; W14-F91 HydrophobicContact CZ2-CB 4.03Å; W14-Y112 PolarHBondContact NE1-O 3.26Å; W14-P114 HydrophobicContact CB-CG 3.93Å; W14-P114 HydrophobicContact CG-CG 4.14Å; W14-T122 WeakPolarHBondContact CA-OG1 3.44Å; W14-T122 PolarHBondContact N-OG1 2.91Å; W14-T122 VanDerWaalsContact N-OG1 3.15Å
15E93Very high91.7Very high89 Ų8949.6 Ų49.642%0.41625%0.248SC..Hα-helixtrans-62.7-43.9178.8-64.678.1-17600111.1P13 K19 K89P13-E15 PolarHBondContact O-N 2.98Å; E15-K19 WeakPolarHBondContact O-CB 3.48Å; E15-K19 PolarHBondContact O-N 3.17Å; E15-K89 WeakPolarHBondContact OE1-CE 3.46Å; E15-K89 IonicContact OE1-NZ 3.91Å; E15-K89 PolarHBondContact OE1-NZ 3.44Å
16T92.4Very high91.7Very high33 Ų3350.8 Ų50.820%0.20226%0.257CS..Hα-helixtrans-67.7-44.3177.8-620000110.9P13 W14 K19 A20 I164P13-T16 PolarHBondContact O-N 3.05Å; P13-T16 VanDerWaalsContact O-N 3.08Å; W14-T16 PolarHBondContact O-N 3.48Å; T16-K19 PolarHBondContact O-N 2.86Å; T16-A20 WeakPolarHBondContact O-CB 3.38Å; T16-A20 PolarHBondContact O-N 3.31Å; T16-I164 HydrophobicContact CG2-CG1 4.31Å; T16-I164 HydrophobicContact CG2-CG2 3.73Å
17V93.9Very high91.6Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-64-43.4178.1176.90000111F10 H12 P13 W14 A20 A21 Y112 T122 M160 I164F10-V17 HydrophobicContact CB-CG2 4Å; F10-V17 HydrophobicContact CD2-CG1 4.19Å; F10-V17 HydrophobicContact CG-CG2 4.38Å; H12-V17 HydrophobicContact CB-CG2 3.8Å; P13-V17 PolarHBondContact O-N 2.78Å; P13-V17 VanDerWaalsContact O-N 3.07Å; W14-V17 PolarHBondContact O-N 2.83Å; V17-A20 PolarHBondContact O-N 3.13Å; V17-A21 WeakPolarHBondContact O-CB 3.36Å; V17-A21 PolarHBondContact O-N 2.81Å; V17-Y112 HydrophobicContact CG1-CD1 3.68Å; V17-Y112 HydrophobicContact CG1-CE1 3.92Å; V17-T122 HydrophobicContact CB-CG2 4.23Å; V17-T122 HydrophobicContact CG1-CG2 4.09Å; V17-T122 HydrophobicContact CG2-CG2 4.37Å; V17-M160 HydrophobicContact CG1-CE 3.9Å; V17-M160 WeakPolarHBondContact O-CE 3.45Å; V17-I164 HydrophobicContact CG2-CD1 4.23Å
18T93.4Very high91.1Very high9 Ų947.7 Ų47.76%0.05525%0.247CC..Hα-helixtrans-63.8-44.1178.6-60.30000111.1W14 A20 A21 M22 V84 F91W14-T18 HydrophobicContact CZ2-CG2 4.35Å; W14-T18 PolarHBondContact NE1-OG1 3.5Å; W14-T18 VanDerWaalsContact O-CB 3.25Å; W14-T18 WeakPolarHBondContact O-CB 3.43Å; W14-T18 PolarHBondContact O-N 3.46Å; W14-T18 PolarHBondContact O-OG1 3.14Å; T18-A20 PolarHBondContact O-N 3.3Å; T18-A21 PolarHBondContact O-N 2.86Å; T18-M22 HydrophobicContact CG2-CE 4.36Å; T18-M22 WeakPolarHBondContact O-CG 3.44Å; T18-M22 PolarHBondContact O-N 2.93Å; T18-V84 HydrophobicContact CG2-CG1 4.14Å; T18-V84 HydrophobicContact CG2-CG2 4.38Å; T18-F91 HydrophobicContact CG2-CB 4.26Å; T18-F91 HydrophobicContact CG2-CD1 4.33Å; T18-F91 HydrophobicContact CG2-CD2 4.46Å; T18-F91 HydrophobicContact CG2-CG 4.11Å
19K92.4Very high90.8Very high97 Ų9748.6 Ų48.642%0.42225%0.252SS..Hα-helixtrans-61.2-45.4175.3-170.6-179.1-178.4-170.10111.6E15 T16 A21 M22 Q23 L167E15-K19 WeakPolarHBondContact O-CB 3.48Å; E15-K19 PolarHBondContact O-N 3.17Å; T16-K19 PolarHBondContact O-N 2.86Å; K19-A21 VanDerWaalsContact C-N 3.33Å; K19-A21 PolarHBondContact O-N 2.84Å; K19-M22 PolarHBondContact O-N 3.33Å; K19-Q23 PolarHBondContact O-N 3.02Å; K19-L167 HydrophobicContact CD-CD1 4.36Å; K19-L167 HydrophobicContact CD-CD2 4.43Å; K19-L167 HydrophobicContact CG-CD1 4.15Å
20A92.6Very high90.2Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-62.9-39.2176.500000112.1T16 V17 T18 M22 Q23 K24 M160 V163 I164 L167T16-A20 WeakPolarHBondContact O-CB 3.38Å; T16-A20 PolarHBondContact O-N 3.31Å; V17-A20 PolarHBondContact O-N 3.13Å; T18-A20 PolarHBondContact O-N 3.3Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.32Å; A20-Q23 CarbonylContact O-C 3.56Å; A20-Q23 VanDerWaalsContact O-C 3.25Å; A20-Q23 PolarHBondContact O-N 2.72Å; A20-Q23 VanDerWaalsContact O-N 3.12Å; A20-K24 WeakPolarHBondContact O-CA 3.28Å; A20-K24 PolarHBondContact O-N 3.43Å; A20-M160 HydrophobicContact CB-CE 3.78Å; A20-V163 HydrophobicContact CB-CB 4.3Å; A20-V163 HydrophobicContact CB-CG1 3.82Å; A20-I164 HydrophobicContact CB-CD1 4.34Å; A20-I164 HydrophobicContact CB-CG1 3.44Å; A20-I164 VanDerWaalsContact CB-CG1 3.44Å; A20-L167 HydrophobicContact CB-CD1 3.95Å
21A91.8Very high89.7Confident4 Ų451.5 Ų51.53%0.03327%0.274CS..Hα-helixtrans-66.5-36.1178.800000112.1V17 T18 K19 Q23 K24 F91 M160V17-A21 WeakPolarHBondContact O-CB 3.36Å; V17-A21 PolarHBondContact O-N 2.81Å; T18-A21 PolarHBondContact O-N 2.86Å; K19-A21 VanDerWaalsContact C-N 3.33Å; K19-A21 PolarHBondContact O-N 2.84Å; A21-Q23 VanDerWaalsContact C-N 3.26Å; A21-Q23 PolarHBondContact O-N 2.9Å; A21-K24 WeakPolarHBondContact O-CB 3.17Å; A21-K24 PolarHBondContact O-N 3.14Å; A21-F91 HydrophobicContact CB-CD1 4.35Å; A21-F91 HydrophobicContact CB-CE1 3.58Å; A21-F91 HydrophobicContact CB-CZ 4.34Å; A21-M160 HydrophobicContact CB-CE 3.83Å; A21-M160 HydrophobicContact CB-SD 4.06Å
22M90.3Very high89.2Confident57 Ų5748.4 Ų48.428%0.28126%0.261SS..Hα-helixtrans-65.3-31.1173.1-71.8-167.2-179.300112.9T18 K19 A20 L49 R53 V84T18-M22 HydrophobicContact CG2-CE 4.36Å; T18-M22 WeakPolarHBondContact O-CG 3.44Å; T18-M22 PolarHBondContact O-N 2.93Å; K19-M22 PolarHBondContact O-N 3.33Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.32Å; M22-L49 HydrophobicContact CE-CD2 3.82Å; M22-R53 PolarHBondContact O-NH1 3.02Å; M22-V84 HydrophobicContact CE-CG2 3.35Å
23Q88.5Confident88.8Confident98 Ų9847.7 Ų47.746%0.45826%0.259SS..THydrogen-bonded Turntrans-106.921.5-177.9-61.9-179.3-12.700112.7K19 A20 A21 Y25 V163K19-Q23 PolarHBondContact O-N 3.02Å; A20-Q23 CarbonylContact O-C 3.56Å; A20-Q23 VanDerWaalsContact O-C 3.25Å; A20-Q23 PolarHBondContact O-N 2.72Å; A20-Q23 VanDerWaalsContact O-N 3.12Å; A21-Q23 VanDerWaalsContact C-N 3.26Å; A21-Q23 PolarHBondContact O-N 2.9Å; Q23-Y25 PolarHBondContact O-N 3.46Å; Q23-Y25 VanDerWaalsContact O-N 3.09Å; Q23-V163 HydrophobicContact CB-CG1 4.4Å
24K88.9Confident88.4Confident40 Ų4052.5 Ų52.517%0.17428%0.277CS..  trans-57-30.9-174.1-177179176.2-169.40112.7A20 A21 N27 M160A20-K24 WeakPolarHBondContact O-CA 3.28Å; A20-K24 PolarHBondContact O-N 3.43Å; A21-K24 WeakPolarHBondContact O-CB 3.17Å; A21-K24 PolarHBondContact O-N 3.14Å; K24-N27 WeakPolarHBondContact O-CB 3.3Å; K24-N27 PolarHBondContact O-ND2 3.24Å; K24-M160 HydrophobicContact CB-SD 4.44Å; K24-M160 HydrophobicContact CD-SD 4.28Å; K24-M160 HydrophobicContact CG-SD 4.27Å
25Y87.8Confident88.1Confident59 Ų5952.6 Ų52.623%0.23128%0.283CS..  trans-117143.9-178.4-60.4-77.4000111.2Q23 N27 N30 V33 V36 L55Q23-Y25 PolarHBondContact O-N 3.46Å; Q23-Y25 VanDerWaalsContact O-N 3.09Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.38Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.43Å; Y25-N30 HydrophobicContact CE1-CB 3.91Å; Y25-V33 HydrophobicContact CD1-CB 3.74Å; Y25-V33 HydrophobicContact CD1-CG1 3.8Å; Y25-V33 HydrophobicContact CD1-CG2 4.24Å; Y25-V33 HydrophobicContact CD2-CG1 4.43Å; Y25-V33 HydrophobicContact CE1-CB 3.68Å; Y25-V33 HydrophobicContact CE1-CG1 3.98Å; Y25-V33 HydrophobicContact CE1-CG2 3.64Å; Y25-V33 HydrophobicContact CG-CB 4.48Å; Y25-V33 HydrophobicContact CG-CG1 4.04Å; Y25-V36 HydrophobicContact CD2-CG2 4.11Å; Y25-V36 HydrophobicContact CG-CG2 4.13Å; Y25-L55 HydrophobicContact CD2-CD2 4.4Å; Y25-L55 HydrophobicContact CE2-CD2 3.97Å
26P87.2Confident88.1Confident114 Ų11450.9 Ų50.974%0.7428%0.279SS*.SBendcis-76.4150.8-2.731.6-35.1000113.1
27N86.7Confident88.2Confident12 Ų1253.7 Ų53.76%0.06429%0.293CS..  trans-142152.1173.466.183.9000111.2K24 Y25 M29 N30 A159 W162K24-N27 WeakPolarHBondContact O-CB 3.3Å; K24-N27 PolarHBondContact O-ND2 3.24Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.38Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.43Å; N27-M29 VanDerWaalsContact C-N 3.28Å; N27-M29 PolarHBondContact O-N 3.22Å; N27-M29 PolarHBondContact OD1-N 3.16Å; N27-N30 PolarHBondContact O-N 3.09Å; N27-N30 WeakPolarHBondContact OD1-CB 3.48Å; N27-N30 PolarHBondContact OD1-N 2.88Å; N27-N30 PolarHBondContact OD1-ND2 2.9Å; N27-A159 HydrophobicContact CB-CB 4.14Å; N27-A159 WeakPolarHBondContact OD1-CB 3.22Å; N27-W162 HydrophobicContact CB-CE3 4.24Å; N27-W162 HydrophobicContact CB-CZ3 4.39Å
28P82.1Confident88.3Confident77 Ų7757.2 Ų57.250%0.531%0.314SS..THydrogen-bonded Turntrans-68.3-22.1-177.226.2-34.9000114.3W162P28-W162 HydrophobicContact CG-CD2 4.15Å; P28-W162 HydrophobicContact CG-CG 4.39Å; P28-W162 HydrophobicContact CG-CZ2 4.44Å
29M84.4Confident88.3Confident69 Ų6961.9 Ų61.934%0.3434%0.338SS..THydrogen-bonded Turntrans-78.5-25.7-176.6-55.2-52.6-177.800113N27 P31 K155 E158 A159N27-M29 VanDerWaalsContact C-N 3.28Å; N27-M29 PolarHBondContact O-N 3.22Å; N27-M29 PolarHBondContact OD1-N 3.16Å; M29-P31 VanDerWaalsContact C-CD 3.45Å; M29-P31 WeakPolarHBondContact O-CD 3.35Å; M29-K155 HydrophobicContact CB-CB 4.48Å; M29-E158 HydrophobicContact CE-CB 4.35Å; M29-E158 HydrophobicContact CG-CB 4.05Å; M29-A159 HydrophobicContact CB-CB 4.19Å; M29-A159 HydrophobicContact CG-CB 4.41Å
30N81.9Confident88.5Confident22 Ų2261 Ų6112%0.11834%0.338CS..  trans-125.568-179.2-62.2-70.8000110.9Y25 N27 S32 V33Y25-N30 HydrophobicContact CE1-CB 3.91Å; N27-N30 PolarHBondContact O-N 3.09Å; N27-N30 WeakPolarHBondContact OD1-CB 3.48Å; N27-N30 PolarHBondContact OD1-N 2.88Å; N27-N30 PolarHBondContact OD1-ND2 2.9Å; N30-S32 PolarHBondContact O-N 2.86Å; N30-V33 PolarHBondContact O-N 3.4Å
31P80.7Confident88.7Confident104 Ų10466.8 Ų66.868%0.67536%0.36SS*.THydrogen-bonded Turntrans-67.8-17.6-179.730.2-36.7000112.9M29 V33M29-P31 VanDerWaalsContact C-CD 3.45Å; M29-P31 WeakPolarHBondContact O-CD 3.35Å; P31-V33 PolarHBondContact O-N 2.63Å
32S82.2Confident88.9Confident49 Ų4969.2 Ų69.234%0.34338%0.376SS..THydrogen-bonded Turntrans-64.9-24.7178-63.10000113.7N30 F34 A57 E58N30-S32 PolarHBondContact O-N 2.86Å; S32-F34 PolarHBondContact O-N 2.82Å; S32-A57 CarbonylContact O-C 3.52Å; S32-A57 VanDerWaalsContact O-CA 3.26Å; S32-A57 WeakPolarHBondContact O-CA 3.42Å; S32-E58 WeakPolarHBondContact CB-O 3.33Å; S32-E58 PolarHBondContact O-N 2.81Å; S32-E58 PolarHBondContact OG-O 2.85Å
33V85.3Confident89.2Confident21 Ų2171.2 Ų71.213%0.12739%0.392CS..EExtended strand (participates in β ladder)trans-90106.6176.7-176.90000107.8Y25 N30 P31 V36 A57Y25-V33 HydrophobicContact CD1-CB 3.74Å; Y25-V33 HydrophobicContact CD1-CG1 3.8Å; Y25-V33 HydrophobicContact CD1-CG2 4.24Å; Y25-V33 HydrophobicContact CD2-CG1 4.43Å; Y25-V33 HydrophobicContact CE1-CB 3.68Å; Y25-V33 HydrophobicContact CE1-CG1 3.98Å; Y25-V33 HydrophobicContact CE1-CG2 3.64Å; Y25-V33 HydrophobicContact CG-CB 4.48Å; Y25-V33 HydrophobicContact CG-CG1 4.04Å; N30-V33 PolarHBondContact O-N 3.4Å; P31-V33 PolarHBondContact O-N 2.63Å; V33-V36 HydrophobicContact CG1-CG2 3.99Å; V33-A57 HydrophobicContact CG2-CB 4.16Å
34F86.7Confident89.5Confident132 Ų13268.2 Ų68.258%0.57938%0.379SS*.EExtended strand (participates in β ladder)trans-106.7-16.6-173.664.5-95.9000113.4S32 S56 E58S32-F34 PolarHBondContact O-N 2.82Å; F34-S56 PolarHBondContact N-O 2.95Å; F34-S56 VanDerWaalsContact N-O 3.1Å; F34-E58 HydrophobicContact CD1-CB 4.29Å; F34-E58 HydrophobicContact CE1-CB 4.11Å
35G88.4Confident89.7Confident18 Ų1873.6 Ų73.619%0.18642%0.415CS..EExtended strand (participates in β ladder)trans-138.6137.1178.900000111.9S56G35-S56 PolarHBondContact N-O 2.94Å; G35-S56 PolarHBondContact O-N 2.91Å
36V92.6Very high89.9Confident54 Ų5478.7 Ų78.733%0.32743%0.434SS..EExtended strand (participates in β ladder)trans-138.4114172.2-177.20000108.2Y25 V33 L54 L55Y25-V36 HydrophobicContact CD2-CG2 4.11Å; Y25-V36 HydrophobicContact CG-CG2 4.13Å; V33-V36 HydrophobicContact CG1-CG2 3.99Å; V36-L54 WeakPolarHBondContact CA-O 3.28Å; V36-L55 HydrophobicContact CG1-CG 4.38Å; V36-L55 HydrophobicContact CG2-CG 4.16Å
37D94.4Very high90.2Very high92 Ų9275 Ų7549%0.49242%0.417SS..EExtended strand (participates in β ladder)trans-113.6136.8179.2-65.3-53.6000110R53 L54D37-R53 CarbonylContact O-C 3.51Å; D37-R53 WeakPolarHBondContact O-CA 3.24Å; D37-L54 PolarHBondContact N-O 2.82Å; D37-L54 PolarHBondContact O-N 3.38Å
38V95Very high90.6Very high73 Ų7376.8 Ų76.844%0.44242%0.422SS..EExtended strand (participates in β ladder)trans-89.1110.1170.9-176.70000107.4R41 N52 R53V38-R41 HydrophobicContact CG1-CB 4.06Å; V38-N52 CarbonylContact C-O 3.59Å; V38-R53 HydrophobicContact CG2-CG 4.18Å
39L95.2Very high91.2Very high108 Ų10875.2 Ų75.257%0.56541%0.41SS*.EExtended strand (participates in β ladder)trans-77.8-42.6-178.6-60.6-176.4000111.7N52 L54L39-N52 HydrophobicContact CB-CB 4.37Å; L39-N52 PolarHBondContact N-O 3.37Å; L39-L54 HydrophobicContact CD1-CB 4.02Å; L39-L54 HydrophobicContact CD2-CB 4.03Å; L39-L54 HydrophobicContact CG-CB 4Å
40D95.9Very high91.8Very high79 Ų7973.6 Ų73.642%0.42240%0.401SS..EExtended strand (participates in β ladder)trans-149.6145.3178.7178.761.3000109.8N52D40-N52 HydrophobicContact CB-CB 4.21Å; D40-N52 PolarHBondContact N-O 3.44Å; D40-N52 PolarHBondContact O-N 3.26Å
41R96.4Very high92.5Very high120 Ų12072.6 Ų72.645%0.45340%0.396SS..EExtended strand (participates in β ladder)trans-146.6120.7174.5178.7170.2-72.4166.10.5109.2V38 L49 H50 S51V38-R41 HydrophobicContact CG1-CB 4.06Å; R41-L49 HydrophobicContact CG-CD1 3.7Å; R41-H50 WeakPolarHBondContact CA-O 3.47Å; R41-S51 PolarHBondContact NE-OG 2.85Å
42S96.5Very high93.2Very high55 Ų5569.5 Ų69.539%0.38537%0.373SS..EExtended strand (participates in β ladder)trans-139.3155.1-177.354.30000110.8H50S42-H50 PolarHBondContact N-O 2.76Å; S42-H50 PolarHBondContact O-N 2.9Å
43V96.8Very high93.8Very high100 Ų10068 Ų6861%0.60636%0.36SS*.EExtended strand (participates in β ladder)trans-107.7126.8172.3179.80000107.1R48 L49V43-R48 WeakPolarHBondContact CA-O 3.45Å; V43-L49 HydrophobicContact CG2-CD1 3.84Å
44D93.8Very high94.3Very high35 Ų3568.7 Ų68.719%0.18736%0.363CS..  trans-77.3172.3178.973.614.7000112.3R46 G47 R48 H50D44-R46 PolarHBondContact O-N 2.95Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 VanDerWaalsContact OD1-C 3.31Å; D44-R46 VanDerWaalsContact OD1-CA 3.29Å; D44-R46 WeakPolarHBondContact OD1-CA 3.41Å; D44-R46 WeakPolarHBondContact OD1-CB 3.43Å; D44-R46 PolarHBondContact OD1-N 2.84Å; D44-G47 PolarHBondContact O-N 2.79Å; D44-G47 PolarHBondContact OD1-N 3.07Å; D44-R48 PolarHBondContact N-O 2.84Å; D44-R48 PolarHBondContact OD1-N 2.96Å; D44-R48 IonicContact OD1-NE 3.88Å; D44-R48 IonicContact OD2-CZ 3.2Å; D44-R48 IonicContact OD2-NE 2.74Å; D44-R48 PolarHBondContact OD2-NE 3.01Å; D44-R48 IonicContact OD2-NH2 2.78Å; D44-R48 PolarHBondContact OD2-NH2 2.96Å; D44-H50 IonicContact OD2-CD2 3.85Å; D44-H50 IonicContact OD2-CE1 2.61Å; D44-H50 IonicContact OD2-NE2 2.92Å; D44-H50 PolarHBondContact OD2-NE2 2.89Å
45T93.6Very high94.5Very high153 Ų15362.9 Ų62.994%0.93934%0.338SS*.THydrogen-bonded Turntrans-62.7-15.6178.853.90000113.9
46R92.5Very high94.6Very high166 Ų16662.7 Ų62.763%0.62633%0.334SS*.THydrogen-bonded Turntrans-93.1-0.3176-68.4-178.2-90-170.7-10.8112.4D44 R48D44-R46 PolarHBondContact O-N 2.95Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 VanDerWaalsContact OD1-C 3.31Å; D44-R46 VanDerWaalsContact OD1-CA 3.29Å; D44-R46 WeakPolarHBondContact OD1-CA 3.41Å; D44-R46 WeakPolarHBondContact OD1-CB 3.43Å; D44-R46 PolarHBondContact OD1-N 2.84Å; R46-R48 HydrophobicContact CB-CG 4.36Å; R46-R48 VanDerWaalsContact NH2-NH2 3.16Å
47G92.7Very high94.3Very high36 Ų3660.1 Ų60.137%0.37132%0.318SS..SBendtrans82.413.4-179.200000114.4D44D44-G47 PolarHBondContact O-N 2.79Å; D44-G47 PolarHBondContact OD1-N 3.07Å
48R95.2Very high93.6Very high50 Ų5060.6 Ų60.619%0.18932%0.317CS..PPolyproline II helixtrans-87.2136.3178.2-52.9179.2-61.8166.810.3110.1V43 D44 R46 H50 V83 V84 D85V43-R48 WeakPolarHBondContact CA-O 3.45Å; D44-R48 PolarHBondContact N-O 2.84Å; D44-R48 PolarHBondContact OD1-N 2.96Å; D44-R48 IonicContact OD1-NE 3.88Å; D44-R48 IonicContact OD2-CZ 3.2Å; D44-R48 IonicContact OD2-NE 2.74Å; D44-R48 PolarHBondContact OD2-NE 3.01Å; D44-R48 IonicContact OD2-NH2 2.78Å; D44-R48 PolarHBondContact OD2-NH2 2.96Å; R46-R48 HydrophobicContact CB-CG 4.36Å; R46-R48 VanDerWaalsContact NH2-NH2 3.16Å; R48-H50 PolarHBondContact O-CD2 2.74Å; R48-V83 HydrophobicContact CB-CG1 4.23Å; R48-V84 CarbonylContact C-O 3.56Å; R48-V84 VanDerWaalsContact CA-O 3.25Å; R48-V84 WeakPolarHBondContact CA-O 3.25Å; R48-V84 WeakPolarHBondContact CB-O 3.49Å; R48-D85 WeakPolarHBondContact CD-OD2 3.47Å; R48-D85 HydrophobicContact CG-CB 4.06Å; R48-D85 WeakPolarHBondContact CG-OD2 3.41Å
49L95.9Very high92.3Very high44 Ų4460.8 Ų60.823%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-87.1116.1179.1-177.770.3000109.6M22 R41 V43 V83 V84M22-L49 HydrophobicContact CE-CD2 3.82Å; R41-L49 HydrophobicContact CG-CD1 3.7Å; V43-L49 HydrophobicContact CG2-CD1 3.84Å; L49-V83 CarbonylContact O-C 3.25Å; L49-V83 WeakPolarHBondContact O-CA 3.27Å; L49-V84 HydrophobicContact CB-CB 4.19Å; L49-V84 PolarHBondContact N-O 3.37Å; L49-V84 PolarHBondContact O-N 2.78Å
50H96.4Very high90.6Very high34 Ų3458.5 Ų58.516%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-96.7133.4171.4-63.2-98.9000108.6R41 S42 D44 R48 H81 S82R41-H50 WeakPolarHBondContact CA-O 3.47Å; S42-H50 PolarHBondContact N-O 2.76Å; S42-H50 PolarHBondContact O-N 2.9Å; D44-H50 IonicContact OD2-CD2 3.85Å; D44-H50 IonicContact OD2-CE1 2.61Å; D44-H50 IonicContact OD2-NE2 2.92Å; D44-H50 PolarHBondContact OD2-NE2 2.89Å; R48-H50 PolarHBondContact O-CD2 2.74Å; H50-H81 AromaticContact ND1-NE2 3.75Å; H50-S82 CarbonylContact C-O 3.5Å; H50-S82 WeakPolarHBondContact CA-O 3.44Å
51S96.3Very high88.9Confident1 Ų156.1 Ų56.11%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-139.1120177.4-69.90000110.4R41 S82R41-S51 PolarHBondContact NE-OG 2.85Å; S51-S82 WeakPolarHBondContact CB-OG 3.46Å; S51-S82 PolarHBondContact N-O 3.45Å; S51-S82 PolarHBondContact O-N 2.75Å; S51-S82 PolarHBondContact O-OG 3.49Å
52N95.9Very high87.2Confident39 Ų3952.4 Ų52.421%0.20929%0.291CS..EExtended strand (participates in β ladder)trans-96.4122.5170.5-72-56.8000109.1V38 L39 D40 E80 H81V38-N52 CarbonylContact C-O 3.59Å; L39-N52 HydrophobicContact CB-CB 4.37Å; L39-N52 PolarHBondContact N-O 3.37Å; D40-N52 HydrophobicContact CB-CB 4.21Å; D40-N52 PolarHBondContact N-O 3.44Å; D40-N52 PolarHBondContact O-N 3.26Å; N52-E80 CarbonylContact C-O 3.54Å; N52-E80 WeakPolarHBondContact CA-O 3.4Å; N52-H81 PolarHBondContact OD1-CD2 3.35Å
53R95.4Very high85.6Confident17 Ų1754.1 Ų54.16%0.06430%0.303CS..EExtended strand (participates in β ladder)trans-122.8147.5178.9-59.1-165.6-73.7-161.30.9110.7M22 D37 V38 L55 E80M22-R53 PolarHBondContact O-NH1 3.02Å; D37-R53 CarbonylContact O-C 3.51Å; D37-R53 WeakPolarHBondContact O-CA 3.24Å; V38-R53 HydrophobicContact CG2-CG 4.18Å; R53-L55 HydrophobicContact CB-CD1 4.08Å; R53-E80 HydrophobicContact CB-CB 4.34Å; R53-E80 IonicContact CZ-OE1 3.36Å; R53-E80 PolarHBondContact N-O 2.94Å; R53-E80 IonicContact NE-OE1 3.9Å; R53-E80 PolarHBondContact NE-OE1 2.78Å; R53-E80 IonicContact NH2-OE1 3.97Å; R53-E80 PolarHBondContact NH2-OE1 2.81Å; R53-E80 IonicContact NH2-OE2 2.72Å; R53-E80 PolarHBondContact O-N 3.06Å
54L94.3Very high84Confident37 Ų3753.4 Ų53.419%0.19430%0.295CS..EExtended strand (participates in β ladder)trans-111.3120.6169.9-176.566.5000108.1V36 D37 L39 Y77 I98V36-L54 WeakPolarHBondContact CA-O 3.28Å; D37-L54 PolarHBondContact N-O 2.82Å; D37-L54 PolarHBondContact O-N 3.38Å; L39-L54 HydrophobicContact CD1-CB 4.02Å; L39-L54 HydrophobicContact CD2-CB 4.03Å; L39-L54 HydrophobicContact CG-CB 4Å; L54-Y77 HydrophobicContact CD1-CD1 4.5Å; L54-I98 HydrophobicContact CD1-CD1 3.66Å
55L92.1Very high82.5Confident10 Ų1052.3 Ų52.35%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-103.1129.3175.1-6974.9000108.5Y25 V36 R53 Y77 I78 E80Y25-L55 HydrophobicContact CD2-CD2 4.4Å; Y25-L55 HydrophobicContact CE2-CD2 3.97Å; V36-L55 HydrophobicContact CG1-CG 4.38Å; V36-L55 HydrophobicContact CG2-CG 4.16Å; R53-L55 HydrophobicContact CB-CD1 4.08Å; L55-Y77 WeakPolarHBondContact O-CA 3.33Å; L55-I78 HydrophobicContact CB-CB 4.22Å; L55-I78 PolarHBondContact N-O 3.09Å; L55-I78 PolarHBondContact O-N 3.29Å; L55-E80 HydrophobicContact CD1-CB 3.65Å
56S90.1Very high81.1Confident13 Ų1349.4 Ų49.49%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-104.2115.7173.1-61.30000108.7F34 G35 Y77F34-S56 PolarHBondContact N-O 2.95Å; F34-S56 VanDerWaalsContact N-O 3.1Å; G35-S56 PolarHBondContact N-O 2.94Å; G35-S56 PolarHBondContact O-N 2.91Å; S56-Y77 WeakPolarHBondContact OG-CE1 3.26Å
57A85.7Confident79.9Confident0 Ų046.5 Ų46.50%027%0.269CS..EExtended strand (participates in β ladder)trans-127.5136.7-177.200000111.2S32 V33 T76 I78S32-A57 CarbonylContact O-C 3.52Å; S32-A57 VanDerWaalsContact O-CA 3.26Å; S32-A57 WeakPolarHBondContact O-CA 3.42Å; V33-A57 HydrophobicContact CG2-CB 4.16Å; A57-T76 PolarHBondContact N-O 2.93Å; A57-T76 PolarHBondContact O-N 2.86Å; A57-T76 PolarHBondContact O-OG1 2.79Å; A57-I78 HydrophobicContact CB-CD1 4.47Å
58E80.8Confident78.5Confident102 Ų10249 Ų4948%0.47727%0.273SS..EExtended strand (participates in β ladder)trans-95.198.7169.3-167171-163.700109.2S32 F34 T74S32-E58 WeakPolarHBondContact CB-O 3.33Å; S32-E58 PolarHBondContact O-N 2.81Å; S32-E58 PolarHBondContact OG-O 2.85Å; F34-E58 HydrophobicContact CD1-CB 4.29Å; F34-E58 HydrophobicContact CE1-CB 4.11Å; E58-T74 WeakPolarHBondContact CA-O 3.43Å; E58-T74 VanDerWaalsContact OE1-CB 3.31Å; E58-T74 WeakPolarHBondContact OE1-CB 3.2Å; E58-T74 PolarHBondContact OE1-OG1 2.92Å
59W66.6Low77Confident78 Ų7848.2 Ų48.230%0.29527%0.272SS..  trans-85.1126.6-179.8-88.985.2000111.1L61 T74 T76 T148 N152W59-L61 PolarHBondContact O-N 2.86Å; W59-T74 PolarHBondContact N-O 2.89Å; W59-T76 HydrophobicContact CB-CG2 4.48Å; W59-T76 VanDerWaalsContact CD1-OG1 3.25Å; W59-T148 HydrophobicContact CH2-CG2 4.44Å; W59-T148 HydrophobicContact CZ3-CG2 3.75Å; W59-N152 VanDerWaalsContact CH2-CG 3.44Å; W59-N152 WeakPolarHBondContact CH2-ND2 3.47Å; W59-N152 WeakPolarHBondContact CH2-OD1 3.45Å
60G59.3Low75.2Confident59 Ų5947.9 Ų47.961%0.60828%0.279SS*.  trans-71.272162.600000110.5
61L60.6Low73.2Confident29 Ų2958.2 Ų58.215%0.15232%0.317CS..  trans-51.9139.1175.6-72.8171.8000110.1W59 S63 V65 K66 I69W59-L61 PolarHBondContact O-N 2.86Å; L61-S63 PolarHBondContact O-N 2.81Å; L61-V65 HydrophobicContact CB-CB 4.41Å; L61-V65 HydrophobicContact CB-CG1 4.41Å; L61-V65 HydrophobicContact CD1-CG1 4.26Å; L61-V65 HydrophobicContact CD2-CG1 4.06Å; L61-V65 HydrophobicContact CG-CG1 4.49Å; L61-K66 HydrophobicContact CB-CD 4.42Å; L61-K66 HydrophobicContact CB-CG 3.65Å; L61-K66 VanDerWaalsContact O-CD 3.25Å; L61-K66 WeakPolarHBondContact O-CD 3.43Å; L61-K66 WeakPolarHBondContact O-CE 3.43Å; L61-K66 WeakPolarHBondContact O-CG 3.19Å; L61-I69 HydrophobicContact CD1-CD1 3.95Å
62P61.8Low71.2Confident42 Ų4264.3 Ų64.327%0.27336%0.355SS..  trans-51.9143.1173.7-25.433.3000110.3I64 V65 K66 V144P62-I64 PolarHBondContact O-N 2.86Å; P62-I64 VanDerWaalsContact O-N 3.07Å; P62-V65 HydrophobicContact CB-CG2 4.31Å; P62-V65 HydrophobicContact CG-CG2 4.39Å; P62-V65 WeakPolarHBondContact O-CA 3.39Å; P62-V65 WeakPolarHBondContact O-CB 3.43Å; P62-V65 PolarHBondContact O-N 2.85Å; P62-K66 PolarHBondContact O-N 2.92Å; P62-V144 HydrophobicContact CG-CG1 4.01Å
63S62.3Low69.4Low92 Ų9268.7 Ų68.764%0.64337%0.374SS*.Hα-helixtrans-53.8-33-17535.80000113.6L61 S67L61-S63 PolarHBondContact O-N 2.81Å; S63-S67 WeakPolarHBondContact O-CB 3.34Å; S63-S67 PolarHBondContact O-N 2.74Å; S63-S67 PolarHBondContact O-OG 2.83Å
64I61.9Low68.1Low84 Ų8470.8 Ų70.843%0.43139%0.389SS..Hα-helixtrans-62-46.1172.7-72.2166.8000111.3P62 S67 I68 Y140 L141P62-I64 PolarHBondContact O-N 2.86Å; P62-I64 VanDerWaalsContact O-N 3.07Å; I64-S67 PolarHBondContact O-N 2.77Å; I64-I68 HydrophobicContact CG2-CD1 4.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.29Å; I64-I68 PolarHBondContact O-N 2.87Å; I64-Y140 HydrophobicContact CD1-CE1 4.34Å; I64-L141 HydrophobicContact CG2-CD2 4.16Å
65V62.3Low67.3Low13 Ų1370.5 Ų70.58%0.07939%0.389CS..Hα-helixtrans-69.8-41.1179.9-178.10000110.6L61 P62 S67 I68 I69 L141L61-V65 HydrophobicContact CB-CB 4.41Å; L61-V65 HydrophobicContact CB-CG1 4.41Å; L61-V65 HydrophobicContact CD1-CG1 4.26Å; L61-V65 HydrophobicContact CD2-CG1 4.06Å; L61-V65 HydrophobicContact CG-CG1 4.49Å; P62-V65 HydrophobicContact CB-CG2 4.31Å; P62-V65 HydrophobicContact CG-CG2 4.39Å; P62-V65 WeakPolarHBondContact O-CA 3.39Å; P62-V65 WeakPolarHBondContact O-CB 3.43Å; P62-V65 PolarHBondContact O-N 2.85Å; V65-S67 PolarHBondContact O-N 2.92Å; V65-I68 PolarHBondContact O-N 2.84Å; V65-I68 VanDerWaalsContact O-N 3.13Å; V65-I69 HydrophobicContact CG1-CD1 3.47Å; V65-I69 VanDerWaalsContact CG1-CD1 3.47Å; V65-I69 HydrophobicContact CG1-CG1 4.11Å; V65-I69 WeakPolarHBondContact O-CB 3.12Å; V65-I69 WeakPolarHBondContact O-CG1 3.39Å; V65-I69 PolarHBondContact O-N 2.79Å; V65-L141 HydrophobicContact CG2-CD2 3.89Å
66K65.7Low66.9Low92 Ų9270.8 Ų70.840%0.439%0.391SS..Hα-helixtrans-58.4-36.6173.2-72.1-178.9171.1169.90112.9L61 P62 I68 G70L61-K66 HydrophobicContact CB-CD 4.42Å; L61-K66 HydrophobicContact CB-CG 3.65Å; L61-K66 VanDerWaalsContact O-CD 3.25Å; L61-K66 WeakPolarHBondContact O-CD 3.43Å; L61-K66 WeakPolarHBondContact O-CE 3.43Å; L61-K66 WeakPolarHBondContact O-CG 3.19Å; P62-K66 PolarHBondContact O-N 2.92Å; K66-I68 VanDerWaalsContact C-N 3.3Å; K66-I68 PolarHBondContact O-N 2.78Å; K66-G70 PolarHBondContact O-N 3.18Å; K66-G70 VanDerWaalsContact O-N 3.14Å
67S65.8Low66.8Low104 Ų10475.1 Ų75.173%0.72741%0.407SS*.Hα-helixtrans-70.1-28.7179.5-580000112.3S63 I64 V65S63-S67 WeakPolarHBondContact O-CB 3.34Å; S63-S67 PolarHBondContact O-N 2.74Å; S63-S67 PolarHBondContact O-OG 2.83Å; I64-S67 PolarHBondContact O-N 2.77Å; V65-S67 PolarHBondContact O-N 2.92Å
68I64.4Low67.1Low88 Ų8876.9 Ų76.945%0.45142%0.415SS..Hα-helixtrans-83.8-40.6177.5-59.2165.7000111.1I64 V65 K66 M103I64-I68 HydrophobicContact CG2-CD1 4.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.29Å; I64-I68 PolarHBondContact O-N 2.87Å; V65-I68 PolarHBondContact O-N 2.84Å; V65-I68 VanDerWaalsContact O-N 3.13Å; K66-I68 VanDerWaalsContact C-N 3.3Å; K66-I68 PolarHBondContact O-N 2.78Å; I68-M103 HydrophobicContact CB-CE 4.48Å; I68-M103 HydrophobicContact CG2-CE 3.57Å
69I62.5Low67.7Low34 Ų3476.5 Ų76.517%0.17441%0.414CS..Hα-helixtrans-78.8-19-174.5-67.7-176000112.9L61 V65 F100 M103L61-I69 HydrophobicContact CD1-CD1 3.95Å; V65-I69 HydrophobicContact CG1-CD1 3.47Å; V65-I69 VanDerWaalsContact CG1-CD1 3.47Å; V65-I69 HydrophobicContact CG1-CG1 4.11Å; V65-I69 WeakPolarHBondContact O-CB 3.12Å; V65-I69 WeakPolarHBondContact O-CG1 3.39Å; V65-I69 PolarHBondContact O-N 2.79Å; I69-F100 HydrophobicContact CD1-CD1 4.12Å; I69-F100 HydrophobicContact CD1-CD2 4.49Å; I69-F100 HydrophobicContact CD1-CE1 4.39Å; I69-F100 HydrophobicContact CD1-CG 4.2Å; I69-F100 HydrophobicContact CG2-CD1 3.88Å; I69-F100 HydrophobicContact CG2-CE1 3.19Å; I69-F100 HydrophobicContact CG2-CE2 4.33Å; I69-F100 HydrophobicContact CG2-CZ 3.46Å; I69-F100 VanDerWaalsContact CG2-CZ 3.46Å; I69-M103 HydrophobicContact CD1-CE 4.36Å; I69-M103 HydrophobicContact CD1-SD 4.38Å; I69-M103 HydrophobicContact CG1-CE 3.64Å; I69-M103 HydrophobicContact CG1-SD 3.82Å
70G59.6Low69.1Low37 Ų3773.4 Ų73.438%0.38140%0.402SS..  trans83.9151.6-175.300000112.1K66 T72K66-G70 PolarHBondContact O-N 3.18Å; K66-G70 VanDerWaalsContact O-N 3.14Å; G70-T72 PolarHBondContact O-N 2.8Å
71R55Low70.8Confident251 Ų25173.3 Ų73.395%0.94739%0.386SS*.THydrogen-bonded Turntrans-71.15.1-166.5-87.4-179.6168178.7-3.7116.3
72T54.3Low72.5Confident130 Ų13072 Ų7280%0.79838%0.379SS*.THydrogen-bonded Turntrans-101-18.4-156.749.80000116.7G70G70-T72 PolarHBondContact O-N 2.8Å
73Q57Low74.2Confident130 Ų13071.1 Ų71.161%0.60737%0.373SS*.  trans-139.1108.2177.7-76.3177.1-19.400112.1
74T67.3Low75.8Confident62 Ų6267.3 Ų67.338%0.3835%0.346SS..  trans-88.2-15.7172.251.50000112.5E58 W59E58-T74 WeakPolarHBondContact CA-O 3.43Å; E58-T74 VanDerWaalsContact OE1-CB 3.31Å; E58-T74 WeakPolarHBondContact OE1-CB 3.2Å; E58-T74 PolarHBondContact OE1-OG1 2.92Å; W59-T74 PolarHBondContact N-O 2.89Å
75C77.8Confident77.4Confident31 Ų3164 Ų6421%0.20933%0.329CS..EExtended strand (participates in β ladder)trans-80.5130177.3-171.20000110.9
76T83.3Confident78.9Confident15 Ų1567 Ų679%0.09235%0.349CS..EExtended strand (participates in β ladder)trans-123.6141.7176.958.20000109.3A57 W59 F100A57-T76 PolarHBondContact N-O 2.93Å; A57-T76 PolarHBondContact O-N 2.86Å; A57-T76 PolarHBondContact O-OG1 2.79Å; W59-T76 HydrophobicContact CB-CG2 4.48Å; W59-T76 VanDerWaalsContact CD1-OG1 3.25Å; T76-F100 HydrophobicContact CG2-CD2 4.18Å; T76-F100 HydrophobicContact CG2-CE2 4.07Å
77Y89.1Confident80.1Confident105 Ų10569.2 Ų69.241%0.41236%0.364SS..EExtended strand (participates in β ladder)trans-109133.4177.7-60.9-68.8000109.5L54 L55 S56 I98 T99L54-Y77 HydrophobicContact CD1-CD1 4.5Å; L55-Y77 WeakPolarHBondContact O-CA 3.33Å; S56-Y77 WeakPolarHBondContact OG-CE1 3.26Å; Y77-I98 PolarHBondContact O-N 3.5Å; Y77-T99 WeakPolarHBondContact CD2-OG1 3.34Å; Y77-T99 PolarHBondContact N-OG1 2.61Å; Y77-T99 PolarHBondContact O-N 2.91Å
78I91.1Very high81.3Confident36 Ų3670.9 Ų70.919%0.18536%0.36CS..EExtended strand (participates in β ladder)trans-122.2124.4178.5-59.8159.1000106.9L55 A57L55-I78 HydrophobicContact CB-CB 4.22Å; L55-I78 PolarHBondContact N-O 3.09Å; L55-I78 PolarHBondContact O-N 3.29Å; A57-I78 HydrophobicContact CB-CD1 4.47Å
79Q94.3Very high82.7Confident94 Ų9470.8 Ų70.844%0.43936%0.356SS..EExtended strand (participates in β ladder)trans-84.9133.5169.2-173.5173.1-0.600108.2S95 S96 I98Q79-S95 CarbonylContact O-C 3.6Å; Q79-S95 WeakPolarHBondContact O-CA 3.48Å; Q79-S96 PolarHBondContact N-O 3.31Å; Q79-S96 PolarHBondContact O-N 2.68Å; Q79-I98 HydrophobicContact CB-CD1 3.78Å; Q79-I98 HydrophobicContact CB-CG1 3.91Å
80E95.3Very high84.2Confident13 Ų1370 Ų706%0.06135%0.353CS..EExtended strand (participates in β ladder)trans-126.6127.6175.3-175.5-172.689.900109.4N52 R53 L55 L93 Q94 S95N52-E80 CarbonylContact C-O 3.54Å; N52-E80 WeakPolarHBondContact CA-O 3.4Å; R53-E80 HydrophobicContact CB-CB 4.34Å; R53-E80 IonicContact CZ-OE1 3.36Å; R53-E80 PolarHBondContact N-O 2.94Å; R53-E80 IonicContact NE-OE1 3.9Å; R53-E80 PolarHBondContact NE-OE1 2.78Å; R53-E80 IonicContact NH2-OE1 3.97Å; R53-E80 PolarHBondContact NH2-OE1 2.81Å; R53-E80 IonicContact NH2-OE2 2.72Å; R53-E80 PolarHBondContact O-N 3.06Å; L55-E80 HydrophobicContact CD1-CB 3.65Å; E80-L93 VanDerWaalsContact CD-CD1 3.5Å; E80-L93 HydrophobicContact CG-CD1 4.1Å; E80-L93 HydrophobicContact CG-CD2 3.7Å; E80-L93 HydrophobicContact CG-CG 3.69Å; E80-Q94 CarbonylContact C-O 3.55Å; E80-Q94 WeakPolarHBondContact CA-O 3.31Å; E80-S95 WeakPolarHBondContact CG-OG 3.34Å
81H96.3Very high86Confident57 Ų5768.3 Ų68.326%0.26434%0.335SS..EExtended strand (participates in β ladder)trans-114.9127.8172.6176.2-109.8000108.7H50 N52 V83 Q94H50-H81 AromaticContact ND1-NE2 3.75Å; N52-H81 PolarHBondContact OD1-CD2 3.35Å; H81-V83 WeakPolarHBondContact CE1-CG2 3.03Å; H81-Q94 PolarHBondContact N-O 2.85Å; H81-Q94 PolarHBondContact O-N 2.81Å
82S96.3Very high87.9Confident2 Ų259.1 Ų59.11%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-130.1143.3-178.761.50000111.9H50 S51 E92H50-S82 CarbonylContact C-O 3.5Å; H50-S82 WeakPolarHBondContact CA-O 3.44Å; S51-S82 WeakPolarHBondContact CB-OG 3.46Å; S51-S82 PolarHBondContact N-O 3.45Å; S51-S82 PolarHBondContact O-N 2.75Å; S51-S82 PolarHBondContact O-OG 3.49Å; S82-E92 CarbonylContact C-O 3.59Å; S82-E92 WeakPolarHBondContact CA-O 3.41Å
83V96.6Very high89.9Confident23 Ų2353.4 Ų53.414%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-129.7123.7-179.4-173.10000108.4R48 L49 H81 F91 E92R48-V83 HydrophobicContact CB-CG1 4.23Å; L49-V83 CarbonylContact O-C 3.25Å; L49-V83 WeakPolarHBondContact O-CA 3.27Å; H81-V83 WeakPolarHBondContact CE1-CG2 3.03Å; V83-F91 WeakPolarHBondContact O-CA 3.38Å; V83-E92 PolarHBondContact N-O 3.48Å; V83-E92 PolarHBondContact O-N 3.01Å
84V96.6Very high91.7Very high13 Ų1351.6 Ų51.68%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-113.5120.2175.8-173.50000108.4W14 T18 M22 R48 L49 F91W14-V84 HydrophobicContact CH2-CG1 3.78Å; W14-V84 HydrophobicContact CZ2-CG1 4.02Å; T18-V84 HydrophobicContact CG2-CG1 4.14Å; T18-V84 HydrophobicContact CG2-CG2 4.38Å; M22-V84 HydrophobicContact CE-CG2 3.35Å; R48-V84 CarbonylContact C-O 3.56Å; R48-V84 VanDerWaalsContact CA-O 3.25Å; R48-V84 WeakPolarHBondContact CA-O 3.25Å; R48-V84 WeakPolarHBondContact CB-O 3.49Å; L49-V84 HydrophobicContact CB-CB 4.19Å; L49-V84 PolarHBondContact N-O 3.37Å; L49-V84 PolarHBondContact O-N 2.78Å; V84-F91 HydrophobicContact CB-CD2 4.27Å; V84-F91 HydrophobicContact CG2-CD2 3.33Å; V84-F91 HydrophobicContact CG2-CE2 3.66Å; V84-F91 HydrophobicContact CG2-CG 4.32Å
85D95.4Very high92.9Very high14 Ų1449.3 Ų49.38%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-102.4109.3169.7-164.2-42.1000109.6R48 I87 E88 K89 T90R48-D85 WeakPolarHBondContact CD-OD2 3.47Å; R48-D85 HydrophobicContact CG-CB 4.06Å; R48-D85 WeakPolarHBondContact CG-OD2 3.41Å; D85-I87 VanDerWaalsContact C-N 3.3Å; D85-I87 WeakPolarHBondContact OD1-CA 3.33Å; D85-I87 WeakPolarHBondContact OD1-CB 3.41Å; D85-I87 PolarHBondContact OD1-N 2.95Å; D85-E88 HydrophobicContact CB-CB 4.26Å; D85-E88 PolarHBondContact OD1-N 3.49Å; D85-K89 WeakPolarHBondContact O-CA 3.38Å; D85-K89 PolarHBondContact O-N 3.29Å; D85-T90 WeakPolarHBondContact CB-OG1 3.48Å; D85-T90 PolarHBondContact N-O 2.88Å; D85-T90 PolarHBondContact O-N 3.17Å; D85-T90 VanDerWaalsContact O-N 3.08Å
86P92.6Very high93.6Very high75 Ų7550 Ų5049%0.48725%0.251SS..THydrogen-bonded Turntrans-75.1-19178.930.9-34.5000113.2
87I91.3Very high93.8Very high140 Ų14050.6 Ų50.672%0.71825%0.253SS*.THydrogen-bonded Turntrans-82.6-52-179.1-57.6175.6000109.1D85 K89D85-I87 VanDerWaalsContact C-N 3.3Å; D85-I87 WeakPolarHBondContact OD1-CA 3.33Å; D85-I87 WeakPolarHBondContact OD1-CB 3.41Å; D85-I87 PolarHBondContact OD1-N 2.95Å; I87-K89 PolarHBondContact O-N 2.97Å
88E91.7Very high93.7Very high139 Ų13949.7 Ų49.765%0.6526%0.255SS*.THydrogen-bonded Turntrans-78.3-8.6177.1-63.1-168.516000112.9D85 T90D85-E88 HydrophobicContact CB-CB 4.26Å; D85-E88 PolarHBondContact OD1-N 3.49Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 HydrophobicContact CB-CG2 3.93Å; E88-T90 PolarHBondContact O-N 3.09Å
89K93.5Very high93.3Very high85 Ų8549.2 Ų49.237%0.3725%0.254SS..THydrogen-bonded Turntrans51.249.6-172.1-60-167.8178.8-158.60111.6W14 E15 D85 I87 P114W14-K89 HydrophobicContact CD2-CB 4Å; W14-K89 VanDerWaalsContact CE2-C 3.49Å; W14-K89 HydrophobicContact CE3-CB 4.03Å; W14-K89 HydrophobicContact CE3-CD 4.42Å; W14-K89 HydrophobicContact CE3-CG 4.23Å; W14-K89 HydrophobicContact CG-CB 4.49Å; W14-K89 HydrophobicContact CZ2-CB 4.5Å; W14-K89 HydrophobicContact CZ3-CB 4.3Å; W14-K89 HydrophobicContact CZ3-CG 4.35Å; W14-K89 PolarHBondContact NE1-O 3.37Å; E15-K89 WeakPolarHBondContact OE1-CE 3.46Å; E15-K89 IonicContact OE1-NZ 3.91Å; E15-K89 PolarHBondContact OE1-NZ 3.44Å; D85-K89 WeakPolarHBondContact O-CA 3.38Å; D85-K89 PolarHBondContact O-N 3.29Å; I87-K89 PolarHBondContact O-N 2.97Å; K89-P114 HydrophobicContact CB-CG 3.72Å; K89-P114 HydrophobicContact CD-CG 4.03Å; K89-P114 WeakPolarHBondContact O-CD 3.26Å
90T94.9Very high92.3Very high19 Ų1946.6 Ų46.612%0.11724%0.241CC..EExtended strand (participates in β ladder)trans-115.1135.517763.40000109.6D85 E88 R113D85-T90 WeakPolarHBondContact CB-OG1 3.48Å; D85-T90 PolarHBondContact N-O 2.88Å; D85-T90 PolarHBondContact O-N 3.17Å; D85-T90 VanDerWaalsContact O-N 3.08Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 HydrophobicContact CB-CG2 3.93Å; E88-T90 PolarHBondContact O-N 3.09Å; T90-R113 HydrophobicContact CG2-CG 4.19Å
91F96.4Very high91.5Very high0 Ų048.6 Ų48.60%025%0.254CS..EExtended strand (participates in β ladder)trans-125.7112.9171.5171.7-126.5000108.7W14 T18 A21 V83 V84 L93 Y112W14-F91 HydrophobicContact CZ2-CB 4.03Å; T18-F91 HydrophobicContact CG2-CB 4.26Å; T18-F91 HydrophobicContact CG2-CD1 4.33Å; T18-F91 HydrophobicContact CG2-CD2 4.46Å; T18-F91 HydrophobicContact CG2-CG 4.11Å; A21-F91 HydrophobicContact CB-CD1 4.35Å; A21-F91 HydrophobicContact CB-CE1 3.58Å; A21-F91 HydrophobicContact CB-CZ 4.34Å; V83-F91 WeakPolarHBondContact O-CA 3.38Å; V84-F91 HydrophobicContact CB-CD2 4.27Å; V84-F91 HydrophobicContact CG2-CD2 3.33Å; V84-F91 HydrophobicContact CG2-CE2 3.66Å; V84-F91 HydrophobicContact CG2-CG 4.32Å; F91-L93 HydrophobicContact CE1-CD1 4.34Å; F91-L93 HydrophobicContact CZ-CB 4.41Å; F91-L93 HydrophobicContact CZ-CD1 3.89Å; F91-Y112 HydrophobicContact CB-CD2 4.48Å; F91-Y112 AromaticContact CD1-CD2 3.3Å; F91-Y112 HydrophobicContact CD1-CD2 3.3Å; F91-Y112 AromaticContact CD1-CE2 3.77Å; F91-Y112 HydrophobicContact CD1-CE2 3.77Å; F91-Y112 AromaticContact CD1-CG 3.9Å; F91-Y112 HydrophobicContact CD1-CG 3.9Å; F91-Y112 AromaticContact CE1-CD2 3.85Å; F91-Y112 HydrophobicContact CE1-CD2 3.85Å; F91-Y112 AromaticContact CE1-CE2 3.8Å; F91-Y112 HydrophobicContact CE1-CE2 3.8Å; F91-Y112 HydrophobicContact CG-CD2 4.19Å; F91-Y112 PolarHBondContact N-O 2.97Å; F91-Y112 PolarHBondContact O-N 3.28Å
92E95.9Very high90.4Very high58 Ų5851.7 Ų51.727%0.27127%0.273SS..EExtended strand (participates in β ladder)trans-109.3137.3179.7-63.8-168.8174.900109.7S82 V83 L110 T111 R113S82-E92 CarbonylContact C-O 3.59Å; S82-E92 WeakPolarHBondContact CA-O 3.41Å; V83-E92 PolarHBondContact N-O 3.48Å; V83-E92 PolarHBondContact O-N 3.01Å; E92-L110 WeakPolarHBondContact CA-O 3.4Å; E92-T111 HydrophobicContact CG-CG2 4.24Å; E92-R113 IonicContact OE1-NH2 2.67Å
93L95Very high89.4Confident11 Ų1153.7 Ų53.76%0.05828%0.282CS..EExtended strand (participates in β ladder)trans-136.8126.1-179.8-173.7152.3000108.6E80 F91 S95 K109 L110E80-L93 VanDerWaalsContact CD-CD1 3.5Å; E80-L93 HydrophobicContact CG-CD1 4.1Å; E80-L93 HydrophobicContact CG-CD2 3.7Å; E80-L93 HydrophobicContact CG-CG 3.69Å; F91-L93 HydrophobicContact CE1-CD1 4.34Å; F91-L93 HydrophobicContact CZ-CB 4.41Å; F91-L93 HydrophobicContact CZ-CD1 3.89Å; L93-S95 VanDerWaalsContact CD2-OG 3.27Å; L93-S95 WeakPolarHBondContact CD2-OG 3.33Å; L93-K109 CarbonylContact O-C 3.57Å; L93-K109 WeakPolarHBondContact O-CA 3.47Å; L93-L110 HydrophobicContact CB-CB 4.37Å; L93-L110 HydrophobicContact CD2-CD1 3.95Å; L93-L110 PolarHBondContact N-O 3.22Å; L93-L110 PolarHBondContact O-N 3.02Å
94Q94.8Very high88.4Confident92 Ų9253.8 Ų53.843%0.4328%0.283SS..EExtended strand (participates in β ladder)trans-120.6123.3179.5-67.3178.43.800108.4E80 H81 E108 K109E80-Q94 CarbonylContact C-O 3.55Å; E80-Q94 WeakPolarHBondContact CA-O 3.31Å; H81-Q94 PolarHBondContact N-O 2.85Å; H81-Q94 PolarHBondContact O-N 2.81Å; Q94-E108 CarbonylContact C-O 3.59Å; Q94-E108 WeakPolarHBondContact CA-O 3.25Å; Q94-K109 HydrophobicContact CG-CG 4.23Å
95S92.9Very high87.8Confident13 Ų1353.9 Ų53.99%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-122.5129-178.1-64.70000110.2Q79 E80 L93 D107 E108Q79-S95 CarbonylContact O-C 3.6Å; Q79-S95 WeakPolarHBondContact O-CA 3.48Å; E80-S95 WeakPolarHBondContact CG-OG 3.34Å; L93-S95 VanDerWaalsContact CD2-OG 3.27Å; L93-S95 WeakPolarHBondContact CD2-OG 3.33Å; S95-D107 WeakPolarHBondContact O-CA 3.42Å; S95-E108 PolarHBondContact N-O 3.34Å; S95-E108 PolarHBondContact O-N 2.84Å
96S91.3Very high87.3Confident45 Ų4554.6 Ų54.632%0.31529%0.289SS..EExtended strand (participates in β ladder)trans-132.4138.9176.9-610000109.9Q79 V106 D107Q79-S96 PolarHBondContact N-O 3.31Å; Q79-S96 PolarHBondContact O-N 2.68Å; S96-V106 WeakPolarHBondContact CA-O 3.44Å; S96-D107 WeakPolarHBondContact CB-OD1 3.48Å; S96-D107 PolarHBondContact OG-OD1 2.87Å
97N88.7Confident87.2Confident28 Ų2853.9 Ų53.915%0.1528%0.281CS..EExtended strand (participates in β ladder)trans-75.3133.2175.368-67.5000111.3T99 T101 V104 S105 V106N97-T99 PolarHBondContact ND2-O 2.83Å; N97-T101 PolarHBondContact O-OG1 3.35Å; N97-V104 PolarHBondContact ND2-O 2.85Å; N97-S105 WeakPolarHBondContact OD1-CA 3.36Å; N97-V106 PolarHBondContact N-O 2.88Å; N97-V106 PolarHBondContact OD1-N 3.1Å; N97-V106 PolarHBondContact OD1-O 2.8Å
98I87.3Confident87.2Confident87 Ų8749.7 Ų49.745%0.44626%0.258SS..  trans-89-41.9172.9-59.8161.1000110L54 Y77 Q79 T101L54-I98 HydrophobicContact CD1-CD1 3.66Å; Y77-I98 PolarHBondContact O-N 3.5Å; Q79-I98 HydrophobicContact CB-CD1 3.78Å; Q79-I98 HydrophobicContact CB-CG1 3.91Å; I98-T101 PolarHBondContact O-OG1 2.91Å
99T81.3Confident87.3Confident25 Ų2546.5 Ų46.515%0.15324%0.242CC..THydrogen-bonded Turntrans-77.4137.7178.5-43.90000109.9Y77 N97 T101Y77-T99 WeakPolarHBondContact CD2-OG1 3.34Å; Y77-T99 PolarHBondContact N-OG1 2.61Å; Y77-T99 PolarHBondContact O-N 2.91Å; N97-T99 PolarHBondContact ND2-O 2.83Å; T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3Å
100F74.3Confident87.4Confident40 Ų4042.9 Ų42.918%0.17523%0.227CC..THydrogen-bonded Turntrans64.815.9177.2-52.7-63000116.5I69 T76 N102 M103 V104I69-F100 HydrophobicContact CD1-CD1 4.12Å; I69-F100 HydrophobicContact CD1-CD2 4.49Å; I69-F100 HydrophobicContact CD1-CE1 4.39Å; I69-F100 HydrophobicContact CD1-CG 4.2Å; I69-F100 HydrophobicContact CG2-CD1 3.88Å; I69-F100 HydrophobicContact CG2-CE1 3.19Å; I69-F100 HydrophobicContact CG2-CE2 4.33Å; I69-F100 HydrophobicContact CG2-CZ 3.46Å; I69-F100 VanDerWaalsContact CG2-CZ 3.46Å; T76-F100 HydrophobicContact CG2-CD2 4.18Å; T76-F100 HydrophobicContact CG2-CE2 4.07Å; F100-N102 PolarHBondContact O-N 3.34Å; F100-N102 VanDerWaalsContact O-N 3.07Å; F100-N102 PolarHBondContact O-OD1 3.47Å; F100-M103 PolarHBondContact O-N 2.84Å; F100-V104 CarbonylContact C-O 3.58Å; F100-V104 PolarHBondContact O-N 2.67Å; F100-V104 VanDerWaalsContact O-O 3.07Å
101T78.6Confident87.4Confident54 Ų5442.6 Ų42.633%0.33123%0.225SC..THydrogen-bonded Turntrans-57.5-24.8177.6-40.80000113.3N97 I98 T99 M103 V104N97-T101 PolarHBondContact O-OG1 3.35Å; I98-T101 PolarHBondContact O-OG1 2.91Å; T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3Å; T101-M103 VanDerWaalsContact C-N 3.25Å; T101-M103 PolarHBondContact O-N 2.97Å; T101-V104 WeakPolarHBondContact CA-O 3.41Å
102N73.9Confident87.4Confident123 Ų12342.9 Ų42.966%0.65823%0.226SC*.THydrogen-bonded Turntrans-67.1-23.9174.264.2-37.8000113.4F100F100-N102 PolarHBondContact O-N 3.34Å; F100-N102 VanDerWaalsContact O-N 3.07Å; F100-N102 PolarHBondContact O-OD1 3.47Å
103M73.9Confident87.3Confident44 Ų4446.2 Ų46.222%0.21724%0.236CC..THydrogen-bonded Turntrans-109.3-47.8180-65.2178.967.400111.9I68 I69 F100 T101 V132 K133I68-M103 HydrophobicContact CB-CE 4.48Å; I68-M103 HydrophobicContact CG2-CE 3.57Å; I69-M103 HydrophobicContact CD1-CE 4.36Å; I69-M103 HydrophobicContact CD1-SD 4.38Å; I69-M103 HydrophobicContact CG1-CE 3.64Å; I69-M103 HydrophobicContact CG1-SD 3.82Å; F100-M103 PolarHBondContact O-N 2.84Å; T101-M103 VanDerWaalsContact C-N 3.25Å; T101-M103 PolarHBondContact O-N 2.97Å; M103-V132 WeakPolarHBondContact O-CA 3.37Å; M103-K133 PolarHBondContact O-N 2.99Å
104V76.2Confident87.3Confident25 Ų2547.6 Ų47.615%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-136.1121.5-177.8-174.20000108.8N97 F100 T101 V106 S131 V132 M145N97-V104 PolarHBondContact ND2-O 2.85Å; F100-V104 CarbonylContact C-O 3.58Å; F100-V104 PolarHBondContact O-N 2.67Å; F100-V104 VanDerWaalsContact O-O 3.07Å; T101-V104 WeakPolarHBondContact CA-O 3.41Å; V104-V106 HydrophobicContact CG1-CG2 4.1Å; V104-S131 WeakPolarHBondContact CA-O 3.36Å; V104-V132 HydrophobicContact CG1-CG2 4.3Å; V104-V132 HydrophobicContact CG2-CG2 4.27Å; V104-M145 HydrophobicContact CG1-CE 4.17Å
105S83.8Confident87.2Confident15 Ų1545.2 Ų45.211%0.10524%0.235CC..EExtended strand (participates in β ladder)trans-106.9127.8170.2-158.60000108.5N97 D107 S131N97-S105 WeakPolarHBondContact OD1-CA 3.36Å; S105-D107 PolarHBondContact OG-OD2 2.89Å; S105-S131 PolarHBondContact N-O 3.44Å; S105-S131 PolarHBondContact O-N 2.82Å
106V85.1Confident87.2Confident29 Ų2949.8 Ų49.818%0.17626%0.264CS..EExtended strand (participates in β ladder)trans-123.4113.5172.5-177.40000106.6S96 N97 V104 L129 M145 I149S96-V106 WeakPolarHBondContact CA-O 3.44Å; N97-V106 PolarHBondContact N-O 2.88Å; N97-V106 PolarHBondContact OD1-N 3.1Å; N97-V106 PolarHBondContact OD1-O 2.8Å; V104-V106 HydrophobicContact CG1-CG2 4.1Å; V106-L129 WeakPolarHBondContact CA-O 3.4Å; V106-M145 HydrophobicContact CG2-CE 4.21Å; V106-I149 HydrophobicContact CG1-CD1 3.66Å
107D90Very high87.2Confident59 Ų5954.6 Ų54.632%0.31629%0.286SS..EExtended strand (participates in β ladder)trans-112.8110.1176.1-62.2-73.6000107.6S95 S96 S105 A128 L129S95-D107 WeakPolarHBondContact O-CA 3.42Å; S96-D107 WeakPolarHBondContact CB-OD1 3.48Å; S96-D107 PolarHBondContact OG-OD1 2.87Å; S105-D107 PolarHBondContact OG-OD2 2.89Å; D107-A128 CarbonylContact O-C 3.59Å; D107-A128 WeakPolarHBondContact O-CA 3.44Å; D107-L129 HydrophobicContact CB-CB 4.28Å; D107-L129 PolarHBondContact N-O 3.22Å; D107-L129 PolarHBondContact O-N 3.01Å
108E91.9Very high87.3Confident52 Ų5255.6 Ų55.624%0.24329%0.292CS..EExtended strand (participates in β ladder)trans-106.7133.5179.5-157.2-172172.100109.8Q94 S95 L110 Q126 E127 A128Q94-E108 CarbonylContact C-O 3.59Å; Q94-E108 WeakPolarHBondContact CA-O 3.25Å; S95-E108 PolarHBondContact N-O 3.34Å; S95-E108 PolarHBondContact O-N 2.84Å; E108-L110 HydrophobicContact CB-CD1 4.28Å; E108-L110 VanDerWaalsContact CD-CD1 3.47Å; E108-L110 HydrophobicContact CG-CD1 3.62Å; E108-L110 WeakPolarHBondContact OE1-CD1 3.43Å; E108-Q126 PolarHBondContact OE1-NE2 3.33Å; E108-Q126 VanDerWaalsContact OE1-NE2 3.15Å; E108-E127 CarbonylContact C-O 3.55Å; E108-E127 WeakPolarHBondContact CA-O 3.44Å; E108-A128 HydrophobicContact CG-CB 4.21Å
109K94.1Very high87.3Confident73 Ų7355 Ų5532%0.31730%0.299SS..EExtended strand (participates in β ladder)trans-121.6124.8172.9-176.4-178.8177.8-172.50109.1L93 Q94 Q126 E127L93-K109 CarbonylContact O-C 3.57Å; L93-K109 WeakPolarHBondContact O-CA 3.47Å; Q94-K109 HydrophobicContact CG-CG 4.23Å; K109-Q126 CarbonylContact O-C 3.49Å; K109-Q126 WeakPolarHBondContact O-CA 3.34Å; K109-E127 HydrophobicContact CB-CB 4.48Å; K109-E127 PolarHBondContact N-O 2.85Å; K109-E127 PolarHBondContact O-N 3.15Å
110L94.6Very high87.8Confident8 Ų859.6 Ų59.64%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-117136.2174.8-64.477.2000108.6E92 L93 E108 Y112 L124 T125 Q126E92-L110 WeakPolarHBondContact CA-O 3.4Å; L93-L110 HydrophobicContact CB-CB 4.37Å; L93-L110 HydrophobicContact CD2-CD1 3.95Å; L93-L110 PolarHBondContact N-O 3.22Å; L93-L110 PolarHBondContact O-N 3.02Å; E108-L110 HydrophobicContact CB-CD1 4.28Å; E108-L110 VanDerWaalsContact CD-CD1 3.47Å; E108-L110 HydrophobicContact CG-CD1 3.62Å; E108-L110 WeakPolarHBondContact OE1-CD1 3.43Å; L110-Y112 HydrophobicContact CB-CE2 3.98Å; L110-Y112 HydrophobicContact CD2-CE2 4.36Å; L110-L124 HydrophobicContact CB-CD1 3.99Å; L110-L124 HydrophobicContact CD2-CD1 4.19Å; L110-L124 HydrophobicContact CG-CD1 4.35Å; L110-T125 CarbonylContact C-O 3.53Å; L110-T125 WeakPolarHBondContact CA-O 3.46Å; L110-Q126 HydrophobicContact CD2-CG 4.25Å; L110-Q126 HydrophobicContact CG-CG 4.06Å
111T95.8Very high88.7Confident13 Ų1360.9 Ų60.98%0.0833%0.325CS..EExtended strand (participates in β ladder)trans-129.7122.4176.8-54.80000108.9E92 R113 L124 T125E92-T111 HydrophobicContact CG-CG2 4.24Å; T111-R113 HydrophobicContact CG2-CG 4.07Å; T111-L124 WeakPolarHBondContact O-CA 2.92Å; T111-T125 PolarHBondContact N-O 3.32Å; T111-T125 PolarHBondContact O-N 2.84Å
112Y95.3Very high89.5Confident7 Ų758.3 Ų58.33%0.02731%0.309CS..EExtended strand (participates in β ladder)trans-109.3125.7176.9-59.9-100.8000109.5F10 W14 V17 F91 L110 T122 I123 L124F10-Y112 HydrophobicContact CE2-CE1 4.1Å; W14-Y112 PolarHBondContact NE1-O 3.26Å; V17-Y112 HydrophobicContact CG1-CD1 3.68Å; V17-Y112 HydrophobicContact CG1-CE1 3.92Å; F91-Y112 HydrophobicContact CB-CD2 4.48Å; F91-Y112 AromaticContact CD1-CD2 3.3Å; F91-Y112 HydrophobicContact CD1-CD2 3.3Å; F91-Y112 AromaticContact CD1-CE2 3.77Å; F91-Y112 HydrophobicContact CD1-CE2 3.77Å; F91-Y112 AromaticContact CD1-CG 3.9Å; F91-Y112 HydrophobicContact CD1-CG 3.9Å; F91-Y112 AromaticContact CE1-CD2 3.85Å; F91-Y112 HydrophobicContact CE1-CD2 3.85Å; F91-Y112 AromaticContact CE1-CE2 3.8Å; F91-Y112 HydrophobicContact CE1-CE2 3.8Å; F91-Y112 HydrophobicContact CG-CD2 4.19Å; F91-Y112 PolarHBondContact N-O 2.97Å; F91-Y112 PolarHBondContact O-N 3.28Å; L110-Y112 HydrophobicContact CB-CE2 3.98Å; L110-Y112 HydrophobicContact CD2-CE2 4.36Å; Y112-T122 HydrophobicContact CD1-CG2 4.42Å; Y112-I123 WeakPolarHBondContact CA-O 3.46Å; Y112-L124 HydrophobicContact CD1-CB 4.07Å; Y112-L124 HydrophobicContact CD1-CD1 3.93Å; Y112-L124 HydrophobicContact CD1-CG 4.45Å; Y112-L124 HydrophobicContact CD2-CD1 4.15Å; Y112-L124 HydrophobicContact CE1-CB 4.07Å; Y112-L124 HydrophobicContact CE1-CD1 3.61Å; Y112-L124 HydrophobicContact CE1-CD2 3.96Å; Y112-L124 HydrophobicContact CE1-CG 4.07Å; Y112-L124 HydrophobicContact CE2-CD1 3.84Å; Y112-L124 HydrophobicContact CG-CD1 4.2Å
113R95.3Very high90.5Very high128 Ų12853.9 Ų53.948%0.48329%0.285SS..EExtended strand (participates in β ladder)trans-139.7147.8179-64.3-176.3177.5168-0.8110.6T90 E92 T111 T122 I123T90-R113 HydrophobicContact CG2-CG 4.19Å; E92-R113 IonicContact OE1-NH2 2.67Å; T111-R113 HydrophobicContact CG2-CG 4.07Å; R113-T122 CarbonylContact O-C 3.53Å; R113-T122 WeakPolarHBondContact O-CA 3.25Å; R113-T122 WeakPolarHBondContact O-CG2 3.47Å; R113-I123 PolarHBondContact N-O 3.45Å; R113-I123 PolarHBondContact O-N 3.07Å
114P95.3Very high91.5Very high40 Ų4052 Ų5226%0.2628%0.275SS..EExtended strand (participates in β ladder)trans-54.5145.9167.6-21.930000110.9W14 K89W14-P114 HydrophobicContact CB-CG 3.93Å; W14-P114 HydrophobicContact CG-CG 4.14Å; K89-P114 HydrophobicContact CB-CG 3.72Å; K89-P114 HydrophobicContact CD-CG 4.03Å; K89-P114 WeakPolarHBondContact O-CD 3.26Å
115H92.8Very high92.4Very high41 Ų4153.1 Ų53.119%0.1928%0.283CS..EExtended strand (participates in β ladder)trans-67.9133.6173-171.2-75.1000109.3D117 D118 K121 I123H115-D117 IonicContact CE1-OD2 3.92Å; H115-D117 PolarHBondContact CE1-OD2 3.11Å; H115-D117 PolarHBondContact ND1-N 3.44Å; H115-D117 VanDerWaalsContact ND1-N 3.17Å; H115-D117 IonicContact ND1-OD2 3.79Å; H115-D117 PolarHBondContact O-N 2.86Å; H115-D118 HydrophobicContact CB-CB 4.45Å; H115-D118 WeakPolarHBondContact CB-O 3.49Å; H115-D118 PolarHBondContact ND1-N 2.92Å; H115-D118 CarbonylContact O-C 3.52Å; H115-D118 PolarHBondContact O-N 2.79Å; H115-K121 HydrophobicContact CB-CB 3.77Å; H115-K121 PolarHBondContact N-O 3.49Å; H115-I123 HydrophobicContact CB-CD1 4.25Å; H115-I123 HydrophobicContact CB-CG1 4.12Å
116P91Very high92.8Very high109 Ų10953 Ų5371%0.70828%0.28SS*.THydrogen-bonded Turntrans-61.3-33.6-173.923.6-33.7000112.8
117D91.9Very high93.1Very high147 Ų14755.3 Ų55.379%0.78629%0.29SS*.THydrogen-bonded Turntrans-93.6-14-179.7-51-48.8000114.2H115H115-D117 IonicContact CE1-OD2 3.92Å; H115-D117 PolarHBondContact CE1-OD2 3.11Å; H115-D117 PolarHBondContact ND1-N 3.44Å; H115-D117 VanDerWaalsContact ND1-N 3.17Å; H115-D117 IonicContact ND1-OD2 3.79Å; H115-D117 PolarHBondContact O-N 2.86Å
118D91.1Very high93Very high49 Ų4952.5 Ų52.526%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-147.9101.9-171-169.6-10.3000111.5H115 E120 K121H115-D118 HydrophobicContact CB-CB 4.45Å; H115-D118 WeakPolarHBondContact CB-O 3.49Å; H115-D118 PolarHBondContact ND1-N 2.92Å; H115-D118 CarbonylContact O-C 3.52Å; H115-D118 PolarHBondContact O-N 2.79Å; D118-E120 PolarHBondContact O-N 3.05Å; D118-E120 VanDerWaalsContact O-N 3.12Å; D118-E120 WeakPolarHBondContact OD1-CB 3.36Å; D118-E120 PolarHBondContact OD1-N 3.31Å; D118-E120 VanDerWaalsContact OD1-N 3.11Å; D118-K121 HydrophobicContact CB-CB 4.4Å; D118-K121 HydrophobicContact CB-CD 4.25Å; D118-K121 HydrophobicContact CB-CG 4.29Å; D118-K121 PolarHBondContact O-N 3.48Å; D118-K121 WeakPolarHBondContact OD2-CD 3.2Å; D118-K121 VanDerWaalsContact OD2-CE 3.28Å; D118-K121 WeakPolarHBondContact OD2-CE 3.44Å; D118-K121 IonicContact OD2-NZ 2.7Å; D118-K121 PolarHBondContact OD2-NZ 3.41Å
119A87.3Confident92.8Very high73 Ų7353.8 Ų53.860%0.60328%0.282SS*.EExtended strand (participates in β ladder)trans-64.1-17.9-177.600000113.9K121A119-K121 PolarHBondContact O-N 3.22Å
120E92.3Very high92.3Very high122 Ų12250.3 Ų50.357%0.5727%0.268SS*.EExtended strand (participates in β ladder)trans-84.20.8177.4-62.1-58.6131.600112.8H12 D118H12-E120 CarbonylContact C-O 3.56Å; H12-E120 WeakPolarHBondContact CA-O 3.22Å; H12-E120 PolarHBondContact N-O 3.45Å; D118-E120 PolarHBondContact O-N 3.05Å; D118-E120 VanDerWaalsContact O-N 3.12Å; D118-E120 WeakPolarHBondContact OD1-CB 3.36Å; D118-E120 PolarHBondContact OD1-N 3.31Å; D118-E120 VanDerWaalsContact OD1-N 3.11Å
121K93.8Very high91.7Very high67 Ų6751.6 Ų51.629%0.29128%0.277SS..EExtended strand (participates in β ladder)trans-118.8149.4177.6-64-175.4-180121.80111.4I9 F10 N11 H12 H115 D118 A119I9-K121 HydrophobicContact CG2-CB 4.12Å; I9-K121 HydrophobicContact CG2-CD 4.11Å; F10-K121 WeakPolarHBondContact O-CA 3.41Å; N11-K121 VanDerWaalsContact OD1-CE 3.26Å; N11-K121 WeakPolarHBondContact OD1-CE 3.44Å; H12-K121 CarbonylContact O-C 3.55Å; H115-K121 HydrophobicContact CB-CB 3.77Å; H115-K121 PolarHBondContact N-O 3.49Å; D118-K121 HydrophobicContact CB-CB 4.4Å; D118-K121 HydrophobicContact CB-CD 4.25Å; D118-K121 HydrophobicContact CB-CG 4.29Å; D118-K121 PolarHBondContact O-N 3.48Å; D118-K121 WeakPolarHBondContact OD2-CD 3.2Å; D118-K121 VanDerWaalsContact OD2-CE 3.28Å; D118-K121 WeakPolarHBondContact OD2-CE 3.44Å; D118-K121 IonicContact OD2-NZ 2.7Å; D118-K121 PolarHBondContact OD2-NZ 3.41Å; A119-K121 PolarHBondContact O-N 3.22Å
122T94.9Very high90.8Very high0 Ų051.7 Ų51.70%028%0.277CS..EExtended strand (participates in β ladder)trans-122.9126.4177.6-54.50000110.1I9 F10 H12 W14 V17 Y112 R113I9-T122 WeakPolarHBondContact CA-O 3.36Å; F10-T122 PolarHBondContact N-O 3.04Å; F10-T122 PolarHBondContact O-N 3.26Å; H12-T122 PolarHBondContact O-N 3.07Å; H12-T122 PolarHBondContact O-OG1 3.46Å; W14-T122 WeakPolarHBondContact CA-OG1 3.44Å; W14-T122 PolarHBondContact N-OG1 2.91Å; W14-T122 VanDerWaalsContact N-OG1 3.15Å; V17-T122 HydrophobicContact CB-CG2 4.23Å; V17-T122 HydrophobicContact CG1-CG2 4.09Å; V17-T122 HydrophobicContact CG2-CG2 4.37Å; Y112-T122 HydrophobicContact CD1-CG2 4.42Å; R113-T122 CarbonylContact O-C 3.53Å; R113-T122 WeakPolarHBondContact O-CA 3.25Å; R113-T122 WeakPolarHBondContact O-CG2 3.47Å
123I95.4Very high89.9Confident30 Ų3056.7 Ų56.715%0.15430%0.3CS..EExtended strand (participates in β ladder)trans-87.1127.4171.8-57.4174.4000108.3E7 I9 Y112 R113 H115E7-I123 HydrophobicContact CG-CG2 3.89Å; I9-I123 HydrophobicContact CG1-CG1 4.45Å; Y112-I123 WeakPolarHBondContact CA-O 3.46Å; R113-I123 PolarHBondContact N-O 3.45Å; R113-I123 PolarHBondContact O-N 3.07Å; H115-I123 HydrophobicContact CB-CD1 4.25Å; H115-I123 HydrophobicContact CB-CG1 4.12Å
124L94.5Very high88.4Confident4 Ų454.8 Ų54.82%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-106.6117.8167.8166.458.9000108.7E7 H8 F10 L110 T111 Y112 Q126E7-L124 CarbonylContact C-O 3.59Å; E7-L124 WeakPolarHBondContact CA-O 3.1Å; H8-L124 PolarHBondContact N-O 3.12Å; H8-L124 PolarHBondContact O-N 3.41Å; F10-L124 HydrophobicContact CD2-CB 4.17Å; F10-L124 HydrophobicContact CE2-CB 3.74Å; F10-L124 HydrophobicContact CE2-CD2 3.63Å; F10-L124 HydrophobicContact CE2-CG 4.32Å; F10-L124 HydrophobicContact CZ-CD2 4.08Å; L110-L124 HydrophobicContact CB-CD1 3.99Å; L110-L124 HydrophobicContact CD2-CD1 4.19Å; L110-L124 HydrophobicContact CG-CD1 4.35Å; T111-L124 WeakPolarHBondContact O-CA 2.92Å; Y112-L124 HydrophobicContact CD1-CB 4.07Å; Y112-L124 HydrophobicContact CD1-CD1 3.93Å; Y112-L124 HydrophobicContact CD1-CG 4.45Å; Y112-L124 HydrophobicContact CD2-CD1 4.15Å; Y112-L124 HydrophobicContact CE1-CB 4.07Å; Y112-L124 HydrophobicContact CE1-CD1 3.61Å; Y112-L124 HydrophobicContact CE1-CD2 3.96Å; Y112-L124 HydrophobicContact CE1-CG 4.07Å; Y112-L124 HydrophobicContact CE2-CD1 3.84Å; Y112-L124 HydrophobicContact CG-CD1 4.2Å; L124-Q126 HydrophobicContact CD1-CG 3.76Å; L124-Q126 HydrophobicContact CD2-CG 3.89Å; L124-Q126 HydrophobicContact CG-CG 3.71Å
125T93.9Very high87Confident50 Ų5054.8 Ų54.831%0.30732%0.319SS..EExtended strand (participates in β ladder)trans-102.7123.2167.4-48.90000108.8L110 T111 E127L110-T125 CarbonylContact C-O 3.53Å; L110-T125 WeakPolarHBondContact CA-O 3.46Å; T111-T125 PolarHBondContact N-O 3.32Å; T111-T125 PolarHBondContact O-N 2.84Å; T125-E127 HydrophobicContact CG2-CG 4.49Å
126Q92.2Very high85.5Confident11 Ų1158.9 Ų58.95%0.05135%0.352CS..EExtended strand (participates in β ladder)trans-114.3132.8177-55.3-171.4-102.600109.8W4 T5 S6 E108 K109 L110 L124W4-Q126 HydrophobicContact CZ3-CB 3.97Å; T5-Q126 CarbonylContact C-O 3.51Å; T5-Q126 VanDerWaalsContact CA-O 3.26Å; T5-Q126 WeakPolarHBondContact CA-O 3.33Å; S6-Q126 PolarHBondContact N-O 3.45Å; S6-Q126 PolarHBondContact O-N 3.24Å; E108-Q126 PolarHBondContact OE1-NE2 3.33Å; E108-Q126 VanDerWaalsContact OE1-NE2 3.15Å; K109-Q126 CarbonylContact O-C 3.49Å; K109-Q126 WeakPolarHBondContact O-CA 3.34Å; L110-Q126 HydrophobicContact CD2-CG 4.25Å; L110-Q126 HydrophobicContact CG-CG 4.06Å; L124-Q126 HydrophobicContact CD1-CG 3.76Å; L124-Q126 HydrophobicContact CD2-CG 3.89Å; L124-Q126 HydrophobicContact CG-CG 3.71Å
127E91.7Very high84.4Confident79 Ų7959 Ų5937%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-130.9131176.4-55.2-178101.700108W4 T5 E108 K109 T125W4-E127 CarbonylContact O-C 3.58Å; W4-E127 WeakPolarHBondContact O-CA 3.37Å; T5-E127 HydrophobicContact CG2-CB 4.48Å; T5-E127 HydrophobicContact CG2-CG 4.15Å; E108-E127 CarbonylContact C-O 3.55Å; E108-E127 WeakPolarHBondContact CA-O 3.44Å; K109-E127 HydrophobicContact CB-CB 4.48Å; K109-E127 PolarHBondContact N-O 2.85Å; K109-E127 PolarHBondContact O-N 3.15Å; T125-E127 HydrophobicContact CG2-CG 4.49Å
128A87.9Confident83.2Confident0 Ų054.1 Ų54.10%032%0.324CS..EExtended strand (participates in β ladder)trans-129.8127.117800000110.3I3 W4 D107 E108 I149I3-A128 WeakPolarHBondContact CA-O 3.43Å; W4-A128 HydrophobicContact CB-CB 4.42Å; W4-A128 HydrophobicContact CE3-CB 4.11Å; W4-A128 PolarHBondContact N-O 3.09Å; W4-A128 PolarHBondContact O-N 2.77Å; D107-A128 CarbonylContact O-C 3.59Å; D107-A128 WeakPolarHBondContact O-CA 3.44Å; E108-A128 HydrophobicContact CG-CB 4.21Å; A128-I149 HydrophobicContact CB-CD1 4.36Å; A128-I149 HydrophobicContact CB-CG2 4.18Å
129L87.5Confident82.4Confident78 Ų7855.8 Ų55.841%0.40834%0.339SS..EExtended strand (participates in β ladder)trans-105.3115.4175.1-69.8165.3000108.6I3 V106 D107I3-L129 HydrophobicContact CB-CD2 4.36Å; I3-L129 HydrophobicContact CD1-CD2 4.1Å; I3-L129 HydrophobicContact CG1-CD2 3.74Å; I3-L129 HydrophobicContact CG2-CD2 4.18Å; V106-L129 WeakPolarHBondContact CA-O 3.4Å; D107-L129 HydrophobicContact CB-CB 4.28Å; D107-L129 PolarHBondContact N-O 3.22Å; D107-L129 PolarHBondContact O-N 3.01Å
130I84.2Confident81.8Confident1 Ų158.7 Ų58.71%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-109.8122.2179.6-49170.7000108.7M1 K2 M145 A146 I149M1-I130 VanDerWaalsContact CA-O 3.28Å; M1-I130 WeakPolarHBondContact CA-O 3.36Å; K2-I130 PolarHBondContact N-O 3.08Å; K2-I130 PolarHBondContact O-N 3.42Å; I130-M145 HydrophobicContact CD1-CB 4.3Å; I130-M145 HydrophobicContact CG2-CB 4.09Å; I130-A146 HydrophobicContact CD1-CB 3.81Å; I130-I149 HydrophobicContact CD1-CD1 3.54Å; I130-I149 HydrophobicContact CG1-CD1 3.71Å
131S81.8Confident80.8Confident35 Ų3553.7 Ų53.725%0.24531%0.312CS..EExtended strand (participates in β ladder)trans-126.3118.5178.2-167.30000110.4V104 S105V104-S131 WeakPolarHBondContact CA-O 3.36Å; S105-S131 PolarHBondContact N-O 3.44Å; S105-S131 PolarHBondContact O-N 2.82Å
132V77.1Confident80Confident14 Ų1451.3 Ų51.39%0.08530%0.302CS..EExtended strand (participates in β ladder)trans-107.5126.1176178.80000109M103 V104 V135 L141 E142M103-V132 WeakPolarHBondContact O-CA 3.37Å; V104-V132 HydrophobicContact CG1-CG2 4.3Å; V104-V132 HydrophobicContact CG2-CG2 4.27Å; V132-V135 HydrophobicContact CG1-CG2 3.31Å; V132-L141 HydrophobicContact CG1-CB 4.49Å; V132-L141 HydrophobicContact CG1-CD1 4.43Å; V132-L141 HydrophobicContact CG2-CB 4.47Å; V132-E142 HydrophobicContact CB-CG 3.98Å; V132-E142 HydrophobicContact CG2-CG 3.55Å
133K75.5Confident79Confident113 Ų11352.2 Ų52.249%0.49131%0.311SS..  trans-117.9144.4-176.2-62.7176.2-175.4169.50110.6M103 V135M103-K133 PolarHBondContact O-N 2.99Å; K133-V135 PolarHBondContact O-N 3.44Å
134G65.1Low78.1Confident88 Ų8852.8 Ų52.891%0.90732%0.316SS*.SBendtrans79.112.2166.900000117.2
135V65.8Low77.2Confident40 Ų4054.2 Ų54.224%0.24232%0.323CS..  trans-130.6138.3178.2-75.80000112V132 K133 L137 S138 L141V132-V135 HydrophobicContact CG1-CG2 3.31Å; K133-V135 PolarHBondContact O-N 3.44Å; V135-L137 PolarHBondContact O-N 2.79Å; V135-S138 PolarHBondContact O-N 3.36Å; V135-L141 HydrophobicContact CB-CD1 4.42Å; V135-L141 HydrophobicContact CG2-CD1 3.76Å
136S60.5Low76.3Confident127 Ų12752.7 Ų52.789%0.88832%0.315SS*.THydrogen-bonded Turntrans-68.7-14.9-177.2560000114.5
137L67.3Low75.6Confident111 Ų11156.1 Ų56.158%0.58134%0.341SS*.THydrogen-bonded Turntrans-106.731.2178.2-66.4169.7000112.6V135 S139 Y140 L141V135-L137 PolarHBondContact O-N 2.79Å; L137-S139 VanDerWaalsContact C-N 3.3Å; L137-S139 PolarHBondContact O-N 3.18Å; L137-Y140 PolarHBondContact O-N 2.88Å; L137-L141 PolarHBondContact O-N 3.14Å; L137-L141 VanDerWaalsContact O-N 3.14Å
138S68.5Low74.8Confident45 Ų4554.4 Ų54.432%0.31534%0.336SS..Hα-helixtrans-52.3-43.1-175.355.70000113.2V135 Y140 L141 E142V135-S138 PolarHBondContact O-N 3.36Å; S138-Y140 PolarHBondContact O-N 2.94Å; S138-L141 PolarHBondContact O-N 3.1Å; S138-E142 VanDerWaalsContact O-CB 3.3Å; S138-E142 WeakPolarHBondContact O-CB 3.42Å; S138-E142 WeakPolarHBondContact O-CG 3.36Å; S138-E142 PolarHBondContact O-N 2.78Å
139S73.5Confident74.3Confident83 Ų8355.2 Ų55.258%0.5834%0.34SS*.Hα-helixtrans-66.6-36.8-17864.20000114.1L137 G143L137-S139 VanDerWaalsContact C-N 3.3Å; L137-S139 PolarHBondContact O-N 3.18Å; S139-G143 PolarHBondContact O-N 3.17Å; S139-G143 VanDerWaalsContact O-N 3.09Å
140Y75.3Confident73.8Confident135 Ų13554.1 Ų54.153%0.52934%0.339SS..Hα-helixtrans-69.9-46.8176.8177.9-101.3000110.7I64 L137 S138 E142 G143 V144I64-Y140 HydrophobicContact CD1-CE1 4.34Å; L137-Y140 PolarHBondContact O-N 2.88Å; S138-Y140 PolarHBondContact O-N 2.94Å; Y140-E142 PolarHBondContact O-N 3.22Å; Y140-G143 WeakPolarHBondContact O-CA 3.34Å; Y140-G143 PolarHBondContact O-N 3.43Å; Y140-V144 HydrophobicContact CD1-CG2 4.29Å; Y140-V144 HydrophobicContact CE1-CG2 3.87Å; Y140-V144 HydrophobicContact CE2-CG2 4.43Å; Y140-V144 PolarHBondContact O-N 2.76Å
141L71.1Confident73.6Confident17 Ų1756.8 Ų56.89%0.08936%0.361CS..Hα-helixtrans-63.3-41.6177.3-69.7172.5000111.7I64 V65 V132 V135 L137 S138 G143 V144 M145I64-L141 HydrophobicContact CG2-CD2 4.16Å; V65-L141 HydrophobicContact CG2-CD2 3.89Å; V132-L141 HydrophobicContact CG1-CB 4.49Å; V132-L141 HydrophobicContact CG1-CD1 4.43Å; V132-L141 HydrophobicContact CG2-CB 4.47Å; V135-L141 HydrophobicContact CB-CD1 4.42Å; V135-L141 HydrophobicContact CG2-CD1 3.76Å; L137-L141 PolarHBondContact O-N 3.14Å; L137-L141 VanDerWaalsContact O-N 3.14Å; S138-L141 PolarHBondContact O-N 3.1Å; L141-G143 PolarHBondContact O-N 3.29Å; L141-V144 PolarHBondContact O-N 3.34Å; L141-M145 WeakPolarHBondContact O-CB 3.29Å; L141-M145 VanDerWaalsContact O-CG 3.24Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.78Å
142E75.5Confident73.4Confident17 Ų1756.9 Ų56.98%0.07936%0.359CS..Hα-helixtrans-58.3-37.8171.8-76.7177.3-179.800111.7M1 K2 V132 S138 Y140 A146M1-E142 PolarHBondContact N-OE1 3.31Å; M1-E142 PolarHBondContact N-OE2 3.41Å; K2-E142 HydrophobicContact CD-CB 4.08Å; K2-E142 HydrophobicContact CG-CB 4.25Å; V132-E142 HydrophobicContact CB-CG 3.98Å; V132-E142 HydrophobicContact CG2-CG 3.55Å; S138-E142 VanDerWaalsContact O-CB 3.3Å; S138-E142 WeakPolarHBondContact O-CB 3.42Å; S138-E142 WeakPolarHBondContact O-CG 3.36Å; S138-E142 PolarHBondContact O-N 2.78Å; Y140-E142 PolarHBondContact O-N 3.22Å; E142-A146 VanDerWaalsContact O-CB 3.28Å; E142-A146 WeakPolarHBondContact O-CB 3.45Å; E142-A146 PolarHBondContact O-N 2.91Å
143G75.6Confident73.5Confident18 Ų1856.5 Ų56.519%0.18636%0.357CS..Hα-helixtrans-63.9-50173.600000113.3S139 Y140 L141 M145 A146 S147S139-G143 PolarHBondContact O-N 3.17Å; S139-G143 VanDerWaalsContact O-N 3.09Å; Y140-G143 WeakPolarHBondContact O-CA 3.34Å; Y140-G143 PolarHBondContact O-N 3.43Å; L141-G143 PolarHBondContact O-N 3.29Å; G143-M145 VanDerWaalsContact C-N 3.34Å; G143-M145 PolarHBondContact O-N 3.42Å; G143-A146 PolarHBondContact O-N 3.47Å; G143-S147 PolarHBondContact O-N 3.32Å; G143-S147 PolarHBondContact O-OG 3.5Å
144V76.4Confident73.8Confident42 Ų4252 Ų5226%0.25534%0.342SS..Hα-helixtrans-60.1-45.4178.3174.90000110.7P62 Y140 L141 S147 T148P62-V144 HydrophobicContact CG-CG1 4.01Å; Y140-V144 HydrophobicContact CD1-CG2 4.29Å; Y140-V144 HydrophobicContact CE1-CG2 3.87Å; Y140-V144 HydrophobicContact CE2-CG2 4.43Å; Y140-V144 PolarHBondContact O-N 2.76Å; L141-V144 PolarHBondContact O-N 3.34Å; V144-S147 PolarHBondContact O-N 2.87Å; V144-T148 PolarHBondContact O-N 2.72Å; V144-T148 PolarHBondContact O-OG1 3.2Å; V144-T148 VanDerWaalsContact O-OG1 3.09Å
145M73.8Confident74.8Confident34 Ų3452.3 Ų52.317%0.16732%0.319CS..Hα-helixtrans-63.3-42.6178-69.2-64.1-65.100111.9V104 V106 I130 L141 G143 S147 T148 I149V104-M145 HydrophobicContact CG1-CE 4.17Å; V106-M145 HydrophobicContact CG2-CE 4.21Å; I130-M145 HydrophobicContact CD1-CB 4.3Å; I130-M145 HydrophobicContact CG2-CB 4.09Å; L141-M145 WeakPolarHBondContact O-CB 3.29Å; L141-M145 VanDerWaalsContact O-CG 3.24Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.78Å; G143-M145 VanDerWaalsContact C-N 3.34Å; G143-M145 PolarHBondContact O-N 3.42Å; M145-S147 VanDerWaalsContact C-N 3.33Å; M145-S147 PolarHBondContact O-N 3.37Å; M145-T148 WeakPolarHBondContact O-CB 3.23Å; M145-T148 PolarHBondContact O-N 3.31Å; M145-T148 VanDerWaalsContact O-N 3.17Å; M145-I149 WeakPolarHBondContact O-CG1 3.33Å; M145-I149 PolarHBondContact O-N 3.49Å
146A75.4Confident75.6Confident18 Ų1851 Ų5115%0.14931%0.313CS..Hα-helixtrans-61.2-41.4175.800000112.1I130 E142 G143 T148 I149 S150I130-A146 HydrophobicContact CD1-CB 3.81Å; E142-A146 VanDerWaalsContact O-CB 3.28Å; E142-A146 WeakPolarHBondContact O-CB 3.45Å; E142-A146 PolarHBondContact O-N 2.91Å; G143-A146 PolarHBondContact O-N 3.47Å; A146-T148 VanDerWaalsContact C-N 3.34Å; A146-T148 PolarHBondContact O-N 3.41Å; A146-I149 PolarHBondContact O-N 2.81Å; A146-S150 WeakPolarHBondContact O-CB 3.26Å; A146-S150 PolarHBondContact O-N 3Å
147S77.3Confident76.9Confident84 Ų8448.6 Ų48.659%0.58729%0.285SS*.Hα-helixtrans-63.3-39.5174.2-61.80000112.2G143 V144 M145 S150 A151G143-S147 PolarHBondContact O-N 3.32Å; G143-S147 PolarHBondContact O-OG 3.5Å; V144-S147 PolarHBondContact O-N 2.87Å; M145-S147 VanDerWaalsContact C-N 3.33Å; M145-S147 PolarHBondContact O-N 3.37Å; S147-S150 PolarHBondContact O-N 3.39Å; S147-A151 PolarHBondContact O-N 2.88Å
148T75.9Confident77.9Confident42 Ų4248.6 Ų48.626%0.25828%0.281SS..Hα-helixtrans-64-45.8174.7-57.70000111.7W59 V144 M145 A146 S150 A151 N152W59-T148 HydrophobicContact CH2-CG2 4.44Å; W59-T148 HydrophobicContact CZ3-CG2 3.75Å; V144-T148 PolarHBondContact O-N 2.72Å; V144-T148 PolarHBondContact O-OG1 3.2Å; V144-T148 VanDerWaalsContact O-OG1 3.09Å; M145-T148 WeakPolarHBondContact O-CB 3.23Å; M145-T148 PolarHBondContact O-N 3.31Å; M145-T148 VanDerWaalsContact O-N 3.17Å; A146-T148 VanDerWaalsContact C-N 3.34Å; A146-T148 PolarHBondContact O-N 3.41Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.83Å; T148-A151 PolarHBondContact O-N 3.19Å; T148-N152 PolarHBondContact O-N 3.5Å; T148-N152 PolarHBondContact O-ND2 3.29Å; T148-N152 VanDerWaalsContact O-ND2 3.07Å; T148-N152 PolarHBondContact O-OD1 3.22Å
149I76.9Confident78.9Confident17 Ų1746.4 Ų46.49%0.08727%0.266CS..Hα-helixtrans-60.9-43.9177.2-68.9-179.8000110.9W4 V106 A128 I130 M145 A146 A151 N152 A153W4-I149 HydrophobicContact CD2-CG2 4.5Å; W4-I149 HydrophobicContact CE3-CG2 4.09Å; W4-I149 HydrophobicContact CZ3-CG2 4.34Å; V106-I149 HydrophobicContact CG1-CD1 3.66Å; A128-I149 HydrophobicContact CB-CD1 4.36Å; A128-I149 HydrophobicContact CB-CG2 4.18Å; I130-I149 HydrophobicContact CD1-CD1 3.54Å; I130-I149 HydrophobicContact CG1-CD1 3.71Å; M145-I149 WeakPolarHBondContact O-CG1 3.33Å; M145-I149 PolarHBondContact O-N 3.49Å; A146-I149 PolarHBondContact O-N 2.81Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 PolarHBondContact O-N 3.36Å; I149-N152 CarbonylContact O-C 2.96Å; I149-N152 WeakPolarHBondContact O-CB 3.17Å; I149-N152 PolarHBondContact O-N 3.24Å; I149-N152 VanDerWaalsContact O-N 3.11Å; I149-A153 PolarHBondContact O-N 3.15Å
150S78Confident79.7Confident56 Ų5642.6 Ų42.639%0.39224%0.239SC..Hα-helixtrans-58.6-44.6175.6-177.40000112.3A146 S147 T148 N152 A153 G154A146-S150 WeakPolarHBondContact O-CB 3.26Å; A146-S150 PolarHBondContact O-N 3Å; S147-S150 PolarHBondContact O-N 3.39Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.83Å; S150-N152 VanDerWaalsContact C-N 3.32Å; S150-N152 PolarHBondContact O-N 3.06Å; S150-A153 PolarHBondContact O-N 2.79Å; S150-G154 PolarHBondContact O-N 3.07Å
151A78.3Confident80.4Confident57 Ų5738.6 Ų38.647%0.47123%0.226SC..Hα-helixtrans-63.5-37.6175.100000112.3S147 T148 I149 G154 K155S147-A151 PolarHBondContact O-N 2.88Å; T148-A151 PolarHBondContact O-N 3.19Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 PolarHBondContact O-N 3.36Å; A151-G154 PolarHBondContact O-N 3.41Å; A151-K155 PolarHBondContact O-N 3.05Å
152N78.4Confident81.4Confident37 Ų3742.6 Ų42.620%0.19824%0.239CC..Hα-helixtrans-69.9-34.3177-61.8-29.6000112.9W59 T148 I149 S150 G154 K155 G156W59-N152 VanDerWaalsContact CH2-CG 3.44Å; W59-N152 WeakPolarHBondContact CH2-ND2 3.47Å; W59-N152 WeakPolarHBondContact CH2-OD1 3.45Å; T148-N152 PolarHBondContact O-N 3.5Å; T148-N152 PolarHBondContact O-ND2 3.29Å; T148-N152 VanDerWaalsContact O-ND2 3.07Å; T148-N152 PolarHBondContact O-OD1 3.22Å; I149-N152 CarbonylContact O-C 2.96Å; I149-N152 WeakPolarHBondContact O-CB 3.17Å; I149-N152 PolarHBondContact O-N 3.24Å; I149-N152 VanDerWaalsContact O-N 3.11Å; S150-N152 VanDerWaalsContact C-N 3.32Å; S150-N152 PolarHBondContact O-N 3.06Å; N152-G154 VanDerWaalsContact C-N 3.27Å; N152-G154 PolarHBondContact O-N 2.96Å; N152-K155 PolarHBondContact O-N 3.46Å; N152-G156 PolarHBondContact O-N 2.91Å
153A78.8Confident82.1Confident5 Ų542 Ų424%0.04124%0.237CC..Hα-helixtrans-61.9-38174.700000111W4 I149 S150 G156 R157W4-A153 HydrophobicContact CH2-CB 3.43Å; W4-A153 VanDerWaalsContact CH2-CB 3.43Å; W4-A153 HydrophobicContact CZ2-CB 4.09Å; W4-A153 HydrophobicContact CZ3-CB 4.24Å; I149-A153 PolarHBondContact O-N 3.15Å; S150-A153 PolarHBondContact O-N 2.79Å; A153-G156 PolarHBondContact O-N 3.15Å; A153-R157 WeakPolarHBondContact O-CG 3.35Å; A153-R157 PolarHBondContact O-N 3.23Å; A153-R157 VanDerWaalsContact O-N 3.1Å; A153-R157 PolarHBondContact O-NE 2.86Å
154G83.1Confident82.8Confident18 Ų1841.2 Ų41.219%0.18623%0.228CC..Hα-helixtrans-55.4-55.3169.100000112.5S150 A151 N152 G156 R157 E158S150-G154 PolarHBondContact O-N 3.07Å; A151-G154 PolarHBondContact O-N 3.41Å; N152-G154 VanDerWaalsContact C-N 3.27Å; N152-G154 PolarHBondContact O-N 2.96Å; G154-G156 VanDerWaalsContact C-N 3.26Å; G154-G156 PolarHBondContact O-N 3.21Å; G154-R157 PolarHBondContact O-N 2.95Å; G154-R157 VanDerWaalsContact O-N 3.14Å; G154-E158 PolarHBondContact O-N 2.82Å; G154-E158 VanDerWaalsContact O-N 3.15Å
155K85Confident83.4Confident96 Ų9648 Ų4842%0.41725%0.249SC..Hα-helixtrans-60.5-34.5177.5-64.4178.7179.8-178.20113.1M29 A151 N152 A159M29-K155 HydrophobicContact CB-CB 4.48Å; A151-K155 PolarHBondContact O-N 3.05Å; N152-K155 PolarHBondContact O-N 3.46Å; K155-A159 VanDerWaalsContact O-CB 3.26Å; K155-A159 WeakPolarHBondContact O-CB 3.4Å; K155-A159 PolarHBondContact O-N 3.36Å
156G83.8Confident84.2Confident11 Ų1151.4 Ų51.411%0.11326%0.263CS..Hα-helixtrans-62.7-41.7176.600000112N152 A153 G154 M160N152-G156 PolarHBondContact O-N 2.91Å; A153-G156 PolarHBondContact O-N 3.15Å; G154-G156 VanDerWaalsContact C-N 3.26Å; G154-G156 PolarHBondContact O-N 3.21Å; G156-M160 VanDerWaalsContact O-CG 3.29Å; G156-M160 WeakPolarHBondContact O-CG 3.34Å; G156-M160 PolarHBondContact O-N 3.26Å
157R87.5Confident84.8Confident78 Ų7850.8 Ų50.829%0.29426%0.258SS..Hα-helixtrans-66.8-45.5176.3-69.6179.4-74-174.5-0.9112H8 F10 A153 G154 A159 M160 E161H8-R157 VanDerWaalsContact CD2-CD 3.43Å; H8-R157 WeakPolarHBondContact CD2-CD 3.47Å; F10-R157 HydrophobicContact CZ-CG 4.35Å; A153-R157 WeakPolarHBondContact O-CG 3.35Å; A153-R157 PolarHBondContact O-N 3.23Å; A153-R157 VanDerWaalsContact O-N 3.1Å; A153-R157 PolarHBondContact O-NE 2.86Å; G154-R157 PolarHBondContact O-N 2.95Å; G154-R157 VanDerWaalsContact O-N 3.14Å; R157-A159 VanDerWaalsContact C-N 3.34Å; R157-A159 PolarHBondContact O-N 3.17Å; R157-M160 WeakPolarHBondContact O-CB 3.49Å; R157-M160 PolarHBondContact O-N 3.08Å; R157-E161 PolarHBondContact O-N 3.46Å
158E88.3Confident85.3Confident110 Ų11049.7 Ų49.751%0.51425%0.245SC..Hα-helixtrans-63.1-40.1176.4-69.2175.3-158.400112.4M29 G154 M160 E161 W162M29-E158 HydrophobicContact CE-CB 4.35Å; M29-E158 HydrophobicContact CG-CB 4.05Å; G154-E158 PolarHBondContact O-N 2.82Å; G154-E158 VanDerWaalsContact O-N 3.15Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 3.41Å; E158-E161 PolarHBondContact O-N 3.23Å; E158-W162 PolarHBondContact O-N 2.92Å
159A88.2Confident86Confident0 Ų050.2 Ų50.20%025%0.254CS..Hα-helixtrans-60.7-44.2174.500000111.8N27 M29 K155 R157 W162 V163N27-A159 HydrophobicContact CB-CB 4.14Å; N27-A159 WeakPolarHBondContact OD1-CB 3.22Å; M29-A159 HydrophobicContact CB-CB 4.19Å; M29-A159 HydrophobicContact CG-CB 4.41Å; K155-A159 VanDerWaalsContact O-CB 3.26Å; K155-A159 WeakPolarHBondContact O-CB 3.4Å; K155-A159 PolarHBondContact O-N 3.36Å; R157-A159 VanDerWaalsContact C-N 3.34Å; R157-A159 PolarHBondContact O-N 3.17Å; A159-W162 PolarHBondContact O-N 2.9Å; A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.21Å
160M90.4Very high86.5Confident2 Ų253.3 Ų53.31%0.0127%0.268CS..Hα-helixtrans-60.5-48.1177.3-76.5-65.1-61.200111.5F10 V17 A20 A21 K24 G156 R157 E158 W162 V163 I164F10-M160 HydrophobicContact CE1-CB 3.84Å; F10-M160 HydrophobicContact CZ-CB 4.02Å; F10-M160 HydrophobicContact CZ-CG 4.25Å; V17-M160 HydrophobicContact CG1-CE 3.9Å; V17-M160 WeakPolarHBondContact O-CE 3.45Å; A20-M160 HydrophobicContact CB-CE 3.78Å; A21-M160 HydrophobicContact CB-CE 3.83Å; A21-M160 HydrophobicContact CB-SD 4.06Å; K24-M160 HydrophobicContact CB-SD 4.44Å; K24-M160 HydrophobicContact CD-SD 4.28Å; K24-M160 HydrophobicContact CG-SD 4.27Å; G156-M160 VanDerWaalsContact O-CG 3.29Å; G156-M160 WeakPolarHBondContact O-CG 3.34Å; G156-M160 PolarHBondContact O-N 3.26Å; R157-M160 WeakPolarHBondContact O-CB 3.49Å; R157-M160 PolarHBondContact O-N 3.08Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 3.41Å; M160-W162 VanDerWaalsContact C-N 3.29Å; M160-W162 PolarHBondContact O-N 3.01Å; M160-V163 PolarHBondContact O-N 3.45Å; M160-I164 VanDerWaalsContact O-CG1 3.23Å; M160-I164 WeakPolarHBondContact O-CG1 3.31Å; M160-I164 PolarHBondContact O-N 3Å
161E90.8Very high86.8Confident52 Ų5254.7 Ų54.724%0.24327%0.27CS..Hα-helixtrans-59.4-40.2176.4-75.1-65.1161.400112.4H12 R157 E158 I164 R165H12-E161 IonicContact CD2-OE1 3.01Å; H12-E161 IonicContact CD2-OE2 3.96Å; H12-E161 IonicContact CE1-OE2 3.98Å; H12-E161 IonicContact NE2-OE1 3.39Å; H12-E161 PolarHBondContact NE2-OE1 3.33Å; H12-E161 IonicContact NE2-OE2 2.92Å; H12-E161 PolarHBondContact NE2-OE2 3.02Å; R157-E161 PolarHBondContact O-N 3.46Å; E158-E161 PolarHBondContact O-N 3.23Å; E161-I164 PolarHBondContact O-N 3.48Å; E161-R165 VanDerWaalsContact O-CG 3.31Å; E161-R165 WeakPolarHBondContact O-CG 3.44Å; E161-R165 PolarHBondContact O-N 3.05Å
162W91.7Very high87.2Confident100 Ų10058.5 Ų58.538%0.37928%0.278SS..Hα-helixtrans-63.1-45.2175.8-178.487000112.1N27 P28 E158 A159 M160 R165 K166N27-W162 HydrophobicContact CB-CE3 4.24Å; N27-W162 HydrophobicContact CB-CZ3 4.39Å; P28-W162 HydrophobicContact CG-CD2 4.15Å; P28-W162 HydrophobicContact CG-CG 4.39Å; P28-W162 HydrophobicContact CG-CZ2 4.44Å; E158-W162 PolarHBondContact O-N 2.92Å; A159-W162 PolarHBondContact O-N 2.9Å; M160-W162 VanDerWaalsContact C-N 3.29Å; M160-W162 PolarHBondContact O-N 3.01Å; W162-R165 PolarHBondContact O-N 3.11Å; W162-K166 HydrophobicContact CH2-CD 3.9Å; W162-K166 HydrophobicContact CZ2-CD 4.48Å; W162-K166 HydrophobicContact CZ3-CD 4.17Å; W162-K166 PolarHBondContact O-N 3.12Å
163V90.6Very high87.7Confident6 Ų663.6 Ų63.64%0.03630%0.301CS..Hα-helixtrans-65.5-40.5177.9175.60000111.1A20 Q23 A159 M160 K166 L167A20-V163 HydrophobicContact CB-CB 4.3Å; A20-V163 HydrophobicContact CB-CG1 3.82Å; Q23-V163 HydrophobicContact CB-CG1 4.4Å; A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.21Å; M160-V163 PolarHBondContact O-N 3.45Å; V163-K166 WeakPolarHBondContact O-CB 3.35Å; V163-K166 PolarHBondContact O-N 3.39Å; V163-L167 HydrophobicContact CG1-CD1 3.95Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CG 3.28Å; V163-L167 PolarHBondContact O-N 3.3Å
164I90.2Very high88Confident0 Ų069.2 Ų69.20%033%0.33CS..Hα-helixtrans-60.8-47.3176.9-68.5165.8000110.7H12 T16 V17 A20 M160 E161 K166 L167 N168H12-I164 HydrophobicContact CB-CD1 4.41Å; T16-I164 HydrophobicContact CG2-CG1 4.31Å; T16-I164 HydrophobicContact CG2-CG2 3.73Å; V17-I164 HydrophobicContact CG2-CD1 4.23Å; A20-I164 HydrophobicContact CB-CD1 4.34Å; A20-I164 HydrophobicContact CB-CG1 3.44Å; A20-I164 VanDerWaalsContact CB-CG1 3.44Å; M160-I164 VanDerWaalsContact O-CG1 3.23Å; M160-I164 WeakPolarHBondContact O-CG1 3.31Å; M160-I164 PolarHBondContact O-N 3Å; E161-I164 PolarHBondContact O-N 3.48Å; I164-K166 VanDerWaalsContact C-N 3.3Å; I164-K166 PolarHBondContact O-N 2.7Å; I164-L167 PolarHBondContact O-N 3.01Å; I164-N168 PolarHBondContact O-N 2.96Å
165R90.1Very high88.1Confident184 Ų18470 Ų7069%0.69433%0.334SS*.Hα-helixtrans-58.9-42.7176.4-72.9175.9-174.8-135.91.9112.1E161 W162 N168 A169E161-R165 VanDerWaalsContact O-CG 3.31Å; E161-R165 WeakPolarHBondContact O-CG 3.44Å; E161-R165 PolarHBondContact O-N 3.05Å; W162-R165 PolarHBondContact O-N 3.11Å; R165-N168 PolarHBondContact O-N 3.46Å; R165-A169 PolarHBondContact O-N 3.04Å; R165-A169 VanDerWaalsContact O-N 3.09Å
166K89.8Confident88.1Confident106 Ų10667.8 Ų67.846%0.46133%0.334SS..Hα-helixtrans-61.5-46176.6-172.9-175.5176-163.70111.3W162 V163 I164 N168 A169 E170W162-K166 HydrophobicContact CH2-CD 3.9Å; W162-K166 HydrophobicContact CZ2-CD 4.48Å; W162-K166 HydrophobicContact CZ3-CD 4.17Å; W162-K166 PolarHBondContact O-N 3.12Å; V163-K166 WeakPolarHBondContact O-CB 3.35Å; V163-K166 PolarHBondContact O-N 3.39Å; I164-K166 VanDerWaalsContact C-N 3.3Å; I164-K166 PolarHBondContact O-N 2.7Å; K166-N168 PolarHBondContact O-N 2.97Å; K166-A169 PolarHBondContact O-N 3.3Å; K166-E170 WeakPolarHBondContact CE-OE1 3.48Å; K166-E170 IonicContact NZ-OE1 3.53Å; K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 3.48Å
167L88.6Confident88.1Confident6 Ų670 Ų703%0.03135%0.351CS..Hα-helixtrans-63.2-41.4179-76.4169000112.7K19 A20 V163 I164 A169 E170 I171K19-L167 HydrophobicContact CD-CD1 4.36Å; K19-L167 HydrophobicContact CD-CD2 4.43Å; K19-L167 HydrophobicContact CG-CD1 4.15Å; A20-L167 HydrophobicContact CB-CD1 3.95Å; V163-L167 HydrophobicContact CG1-CD1 3.95Å; V163-L167 HydrophobicContact CG1-CG 4.37Å; V163-L167 WeakPolarHBondContact O-CG 3.28Å; V163-L167 PolarHBondContact O-N 3.3Å; I164-L167 PolarHBondContact O-N 3.01Å; L167-A169 VanDerWaalsContact C-N 3.34Å; L167-E170 PolarHBondContact O-N 3.47Å; L167-I171 VanDerWaalsContact O-CG1 3.26Å; L167-I171 WeakPolarHBondContact O-CG1 3.26Å; L167-I171 PolarHBondContact O-N 3.38Å
168N87.9Confident87.8Confident60 Ų6068.9 Ų68.932%0.32136%0.359SS..Hα-helixtrans-63.9-41.7177.3-70.7-13.6000111.3I164 R165 K166 I171 E172I164-N168 PolarHBondContact O-N 2.96Å; R165-N168 PolarHBondContact O-N 3.46Å; K166-N168 PolarHBondContact O-N 2.97Å; N168-I171 PolarHBondContact O-N 3.04Å; N168-E172 WeakPolarHBondContact O-CG 3.26Å; N168-E172 PolarHBondContact O-N 3.39Å
169A88.9Confident87.4Confident54 Ų5471.3 Ų71.345%0.44636%0.363SS..Hα-helixtrans-62.9-43.2176.500000112.2R165 K166 L167 I171 E172 E173R165-A169 PolarHBondContact O-N 3.04Å; R165-A169 VanDerWaalsContact O-N 3.09Å; K166-A169 PolarHBondContact O-N 3.3Å; L167-A169 VanDerWaalsContact C-N 3.34Å; A169-I171 VanDerWaalsContact C-N 3.34Å; A169-I171 PolarHBondContact O-N 2.92Å; A169-E172 PolarHBondContact O-N 3.09Å; A169-E173 WeakPolarHBondContact O-CB 3.36Å; A169-E173 PolarHBondContact O-N 3.42Å
170E87.7Confident86.4Confident81 Ų8174.5 Ų74.538%0.37940%0.396SS..Hα-helixtrans-62.1-40.6175.7-72.9176.1-171.800111.8K166 L167 E173 L174K166-E170 WeakPolarHBondContact CE-OE1 3.48Å; K166-E170 IonicContact NZ-OE1 3.53Å; K166-E170 WeakPolarHBondContact O-CG 3.39Å; K166-E170 PolarHBondContact O-N 3.48Å; L167-E170 PolarHBondContact O-N 3.47Å; E170-E173 PolarHBondContact O-N 3.46Å; E170-L174 WeakPolarHBondContact O-CB 3.21Å; E170-L174 WeakPolarHBondContact O-CG 3.49Å; E170-L174 PolarHBondContact O-N 2.95Å
171I85.5Confident85Confident86 Ų8679.9 Ų79.944%0.44143%0.429SS..Hα-helixtrans-64.8-43176.9-69.3165.5000110.9L167 N168 A169 L174 A175L167-I171 VanDerWaalsContact O-CG1 3.26Å; L167-I171 WeakPolarHBondContact O-CG1 3.26Å; L167-I171 PolarHBondContact O-N 3.38Å; N168-I171 PolarHBondContact O-N 3.04Å; A169-I171 VanDerWaalsContact C-N 3.34Å; A169-I171 PolarHBondContact O-N 2.92Å; I171-L174 PolarHBondContact O-N 2.9Å; I171-A175 VanDerWaalsContact O-CB 3.29Å; I171-A175 WeakPolarHBondContact O-CB 3.29Å; I171-A175 PolarHBondContact O-N 2.96Å
172E86.8Confident83.3Confident137 Ų13783.8 Ų83.864%0.6445%0.45SS*.Hα-helixtrans-63.3-42.7177.4-76.4-179.8-177.400112.2N168 A169 A175 A176N168-E172 WeakPolarHBondContact O-CG 3.26Å; N168-E172 PolarHBondContact O-N 3.39Å; A169-E172 PolarHBondContact O-N 3.09Å; E172-A175 PolarHBondContact O-N 2.85Å; E172-A176 WeakPolarHBondContact O-CB 3.44Å; E172-A176 PolarHBondContact O-N 3.44Å
173E87.5Confident81.4Confident143 Ų14389.7 Ų89.767%0.66847%0.472SS*.Hα-helixtrans-63.4-46.7176.7-171.9178.8-177.600111.3A169 E170 A175 A176 A177A169-E173 WeakPolarHBondContact O-CB 3.36Å; A169-E173 PolarHBondContact O-N 3.42Å; E170-E173 PolarHBondContact O-N 3.46Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.31Å; E173-A176 PolarHBondContact O-N 3.34Å; E173-A177 WeakPolarHBondContact O-CB 3.39Å; E173-A177 PolarHBondContact O-N 2.71Å
174L85.4Confident79.3Confident124 Ų12494.5 Ų94.565%0.64950%0.503SS*.Hα-helixtrans-60.8-41.2175.2-72.8171000111.7E170 I171 A177 A178E170-L174 WeakPolarHBondContact O-CB 3.21Å; E170-L174 WeakPolarHBondContact O-CG 3.49Å; E170-L174 PolarHBondContact O-N 2.95Å; I171-L174 PolarHBondContact O-N 2.9Å; L174-A177 PolarHBondContact O-N 3.46Å; L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 3.18Å
175A85.1Confident77.2Confident33 Ų33100.4 Ų100.427%0.27354%0.542SS..Hα-helixtrans-66.5-37.8176.400000111.8I171 E172 E173 R179I171-A175 VanDerWaalsContact O-CB 3.29Å; I171-A175 WeakPolarHBondContact O-CB 3.29Å; I171-A175 PolarHBondContact O-N 2.96Å; E172-A175 PolarHBondContact O-N 2.85Å; E173-A175 VanDerWaalsContact C-N 3.31Å; E173-A175 PolarHBondContact O-N 3.31Å; A175-R179 WeakPolarHBondContact O-CB 3.31Å; A175-R179 VanDerWaalsContact O-CG 3.31Å; A175-R179 WeakPolarHBondContact O-CG 3.5Å; A175-R179 PolarHBondContact O-N 3.03Å; A175-R179 PolarHBondContact O-NE 3.07Å
176A85.8Confident75.2Confident50 Ų50100.4 Ų100.441%0.41355%0.552SS.*Hα-helixtrans-66.3-43.9175.300000111.8E172 E173 R179 G180E172-A176 WeakPolarHBondContact O-CB 3.44Å; E172-A176 PolarHBondContact O-N 3.44Å; E173-A176 PolarHBondContact O-N 3.34Å; A176-R179 PolarHBondContact O-N 3.43Å; A176-G180 PolarHBondContact O-N 3.48Å
177A83.9Confident73.2Confident57 Ų5799.8 Ų99.847%0.47157%0.567SS.*Hα-helixtrans-61.4-45.5174.800000111.6E173 L174 R179 G180 T181E173-A177 WeakPolarHBondContact O-CB 3.39Å; E173-A177 PolarHBondContact O-N 2.71Å; L174-A177 PolarHBondContact O-N 3.46Å; A177-R179 VanDerWaalsContact C-N 3.34Å; A177-R179 PolarHBondContact O-N 3.25Å; A177-G180 PolarHBondContact O-N 3.14Å; A177-G180 VanDerWaalsContact O-N 3.14Å; A177-T181 PolarHBondContact O-N 3.02Å; A177-T181 PolarHBondContact O-OG1 3.46Å
178A80.7Confident71.2Confident56 Ų56103.8 Ų103.846%0.46360%0.601SS.*Hα-helixtrans-59.7-43.4176.500000111.9L174 G180 T181L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 3.18Å; A178-G180 PolarHBondContact O-N 2.95Å; A178-T181 PolarHBondContact O-N 3.41Å
179R79.6Confident69.2Low161 Ų161105.2 Ų105.261%0.60862%0.621SS**Hα-helixtrans-63-38.2174.4-74.4-176.4-66.1-99.41.8112.7A175 A176 A177 T181A175-R179 WeakPolarHBondContact O-CB 3.31Å; A175-R179 VanDerWaalsContact O-CG 3.31Å; A175-R179 WeakPolarHBondContact O-CG 3.5Å; A175-R179 PolarHBondContact O-N 3.03Å; A175-R179 PolarHBondContact O-NE 3.07Å; A176-R179 PolarHBondContact O-N 3.43Å; A177-R179 VanDerWaalsContact C-N 3.34Å; A177-R179 PolarHBondContact O-N 3.25Å; R179-T181 VanDerWaalsContact C-N 3.28Å; R179-T181 PolarHBondContact O-N 3.33Å
180G67.3Low67Low66 Ų66111.5 Ų111.568%0.6864%0.643SS**Hα-helixtrans-70-20.8176.800000114.5A176 A177 A178A176-G180 PolarHBondContact O-N 3.48Å; A177-G180 PolarHBondContact O-N 3.14Å; A177-G180 VanDerWaalsContact O-N 3.14Å; A178-G180 PolarHBondContact O-N 2.95Å
181T60.3Low64.9Low115 Ų115114.1 Ų114.171%0.70667%0.665SS**Hα-helixtrans-85.6-17.7-179.3-37.30000112.5A177 A178 R179 R183A177-T181 PolarHBondContact O-N 3.02Å; A177-T181 PolarHBondContact O-OG1 3.46Å; A178-T181 PolarHBondContact O-N 3.41Å; R179-T181 VanDerWaalsContact C-N 3.28Å; R179-T181 PolarHBondContact O-N 3.33Å; T181-R183 PolarHBondContact O-N 2.87Å
182I56.2Low62.7Low134 Ų134114.7 Ų114.769%0.68768%0.683SS**  trans-79.587.3174.6-56.7168.7000108.2
183R51.2Low60.4Low224 Ų224117.5 Ų117.585%0.84570%0.696SS**PPolyproline II helixtrans-59.7138.7164.1-80.7-177.1175.2178.7-0.1108.9T181T181-R183 PolarHBondContact O-N 2.87Å
184P47.1Very low58Low107 Ų107124 Ų12470%0.69572%0.722SS**PPolyproline II helixtrans-60.2147.5168.926.8-31.5000108.9M186P184-M186 PolarHBondContact O-N 2.96Å; P184-M186 VanDerWaalsContact O-N 3.12Å
185P45.7Very low56.6Low125 Ų125124.1 Ų124.181%0.81273%0.726SS**PPolyproline II helixtrans-57.6123.9172.724-30.2000107.9A187P185-A187 PolarHBondContact O-N 2.94Å
186M47.6Very low55.1Low183 Ų183128.8 Ų128.890%0.90175%0.75SS**  trans-51113.9170.5-97.4179.475.200107.5P184 A188P184-M186 PolarHBondContact O-N 2.96Å; P184-M186 VanDerWaalsContact O-N 3.12Å; M186-A188 PolarHBondContact O-N 3.12Å
187A48.4Very low53.4Low94 Ų94133.2 Ų133.278%0.77777%0.768SS**  trans-57.1109.6168.600000107.2P185 A189P185-A187 PolarHBondContact O-N 2.94Å; A187-A189 PolarHBondContact O-N 3Å
188A46.9Very low51.6Low90 Ų90137.7 Ų137.774%0.74479%0.786SS**  trans-60.9108.4173.100000107.5M186 M190M186-A188 PolarHBondContact O-N 3.12Å; A188-M190 PolarHBondContact O-N 2.98Å
189A45.9Very low49.8Very low90 Ų90142.8 Ų142.874%0.74481%0.806SS**  trans-63.4100.4171.300000108.1A187 T191A187-A189 PolarHBondContact O-N 3Å; A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 3.01Å
190M42.9Very low47.8Very low185 Ų185141.6 Ų141.691%0.91182%0.819SS**  trans-66.498.1163.8-72.2-179.270.900107.3A188 A192A188-M190 PolarHBondContact O-N 2.98Å; M190-A192 PolarHBondContact O-N 3.46Å
191T43.2Very low46.4Very low136 Ų136147 Ų14783%0.83483%0.829SS**  trans-72.3106.1159.730.10000106.7A189 E193A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 3.01Å; T191-E193 PolarHBondContact O-N 3.29Å
192A39.7Very low45.3Very low99 Ų99149.5 Ų149.582%0.81884%0.839SS**  trans-82.6106.1167.500000108.2M190M190-A192 PolarHBondContact O-N 3.46Å
193E39.1Very low44.4Very low195 Ų195150.8 Ų150.891%0.91185%0.851SS**  trans-69.2116.4153.8-77-179.9124.300108.4T191T191-E193 PolarHBondContact O-N 3.29Å
194K35.2Very low43.8Very low281 Ų281144.1 Ų144.1100%1.22285%0.852SS**  176.20113.3-128.4173.5179.4176.20111.8

Retrieved 194 of 194 residues in 532.7 ms (Link to these results)

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