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Isoform 4 of Synaptotagmin-like protein 3 AlphaSync

Canonical isoform description: May act as Rab effector protein and play a role in vesicle trafficking. Binds phospholipids in the presence of calcium ions.

AlphaFold DB , UniProt , Accession Q99N48-4 (canonical: Q99N48), Species MOUSE (Mus musculus, Mouse), Gene Sytl3, Length 311 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
1M30.5Very low66.4Low250 Ų25091.2 Ų91.2100%1.23251%0.514SS*.  0128.90-87.5-177.7174.100110.6
2G37.9Very low69Low47 Ų4788.6 Ų88.649%0.48549%0.494SS..  trans123.9104.4-170.500000108.8F4G2-F4 WeakPolarHBondContact O-CD2 3.44Å; G2-F4 WeakPolarHBondContact O-CE2 3.05Å; G2-F4 PolarHBondContact O-N 2.83Å; G2-F4 VanDerWaalsContact O-N 3.14Å
3N38.3Very low71.3Confident170 Ų17081.8 Ų81.891%0.90946%0.456SS*.  trans-69.3106.5173.4-127.67.2000106.7
4F57.9Low73.2Confident75 Ų7579.2 Ų79.233%0.32944%0.439SS..  trans-112124.3178.9-52.2-66.6000107.8G2 W100 R108G2-F4 WeakPolarHBondContact O-CD2 3.44Å; G2-F4 WeakPolarHBondContact O-CE2 3.05Å; G2-F4 PolarHBondContact O-N 2.83Å; G2-F4 VanDerWaalsContact O-N 3.14Å; F4-W100 HydrophobicContact CB-CZ3 4.41Å; F4-W100 HydrophobicContact CD1-CH2 4.37Å; F4-W100 AromaticContact CD1-CZ3 3.69Å; F4-W100 HydrophobicContact CD1-CZ3 3.69Å; F4-W100 HydrophobicContact CD2-CZ3 4.5Å; F4-W100 HydrophobicContact CE1-CH2 4.48Å; F4-W100 HydrophobicContact CE1-CZ3 4.04Å; F4-W100 HydrophobicContact CG-CH2 4.39Å; F4-W100 AromaticContact CG-CZ3 3.94Å; F4-W100 HydrophobicContact CG-CZ3 3.94Å; F4-R108 HydrophobicContact CD1-CB 4.2Å; F4-R108 HydrophobicContact CE1-CB 4.37Å
5D61.9Low74.8Confident72 Ų7274 Ų7439%0.38541%0.41SS..EExtended strand (participates in β ladder)trans-78.4141.3168-53.8-93.9000109R107 V109 F110D5-R107 IonicContact OD1-NH2 3.62Å; D5-R107 PolarHBondContact OD1-NH2 3.32Å; D5-R107 VanDerWaalsContact OD1-NH2 3.14Å; D5-R107 IonicContact OD2-CZ 3.67Å; D5-R107 IonicContact OD2-NE 2.69Å; D5-R107 PolarHBondContact OD2-NE 3.49Å; D5-R107 IonicContact OD2-NH2 3.14Å; D5-R107 PolarHBondContact OD2-NH2 3.27Å; D5-V109 HydrophobicContact CB-CG2 4.31Å; D5-V109 WeakPolarHBondContact O-CA 3.33Å; D5-V109 VanDerWaalsContact O-CG1 3.32Å; D5-V109 WeakPolarHBondContact O-CG1 3.43Å; D5-F110 PolarHBondContact O-N 3.17Å; D5-F110 VanDerWaalsContact O-N 3.07Å
6N65Low76Confident101 Ų10169.6 Ų69.654%0.5439%0.386SS..EExtended strand (participates in β ladder)trans-96.1123.8174.2-71.7-16.4000108.1
7A71.7Confident77.1Confident20 Ų2065.5 Ų65.517%0.16536%0.363CS..PPolyproline II helixtrans-76.4160.9164.700000109.7V9 A37 V109 F110 L111A7-V9 PolarHBondContact O-N 3.46Å; A7-A37 HydrophobicContact CB-CB 4.17Å; A7-V109 HydrophobicContact CB-CG1 4Å; A7-F110 PolarHBondContact N-O 3.21Å; A7-L111 HydrophobicContact CB-CD2 3.88Å
8N84.2Confident77.9Confident148 Ų14864.8 Ų64.879%0.79136%0.357SS*.  trans-62.1106.1164.5-74-16.2000107.6T10 A37N8-T10 PolarHBondContact O-N 3.16Å; N8-A37 WeakPolarHBondContact O-CB 3.47Å
9V91.5Very high78.6Confident35 Ų3562.7 Ų62.721%0.21234%0.343CS..  trans-66.5125.6-172.51720000110.6A7 F110 L111 L136 A138A7-V9 PolarHBondContact O-N 3.46Å; V9-F110 HydrophobicContact CG2-CD1 4.37Å; V9-F110 HydrophobicContact CG2-CE1 4.18Å; V9-L111 WeakPolarHBondContact CG1-O 3.42Å; V9-L136 HydrophobicContact CG1-CB 3.88Å; V9-A138 HydrophobicContact CB-CB 4.46Å; V9-A138 HydrophobicContact CG2-CB 4.14Å
10T94.3Very high79.1Confident66 Ų6661.7 Ų61.741%0.40534%0.34SS..  trans-138.7165.217467.90000110.3N8 N35 L36 A37N8-T10 PolarHBondContact O-N 3.16Å; T10-N35 CarbonylContact C-O 3.58Å; T10-N35 PolarHBondContact OG1-O 2.87Å; T10-L36 VanDerWaalsContact OG1-C 3.3Å; T10-A37 PolarHBondContact OG1-N 2.92Å
11G96.7Very high79.5Confident19 Ų1963.9 Ų63.920%0.19636%0.355CS..  trans90.3-17717000000114.2K34 N35 L136G11-K34 CarbonylContact C-O 3.58Å; G11-K34 WeakPolarHBondContact CA-O 3.37Å; G11-N35 WeakPolarHBondContact CA-O 3.22Å; G11-N35 PolarHBondContact N-O 2.85Å; G11-L136 WeakPolarHBondContact O-CB 3.43Å; G11-L136 PolarHBondContact O-N 3.28Å
12E98.1Very high82.2Confident60 Ų6062 Ų6228%0.2834%0.34SS..EExtended strand (participates in β ladder)trans-138.2153.6-172.9-47.5-169.797.600109.4C33 K34 W133 Y134E12-C33 CarbonylContact O-C 3.16Å; E12-C33 VanDerWaalsContact O-CA 3.23Å; E12-C33 WeakPolarHBondContact O-CA 3.3Å; E12-C33 WeakPolarHBondContact O-CB 3.44Å; E12-K34 HydrophobicContact CB-CG 4.41Å; E12-K34 PolarHBondContact N-O 3.11Å; E12-K34 PolarHBondContact O-N 2.63Å; E12-K34 WeakPolarHBondContact OE2-CE 3.41Å; E12-K34 IonicContact OE2-NZ 3.5Å; E12-K34 PolarHBondContact OE2-NZ 3.5Å; E12-W133 HydrophobicContact CB-CE3 3.69Å; E12-W133 HydrophobicContact CB-CZ3 4.18Å; E12-Y134 CarbonylContact C-O 3.45Å; E12-Y134 VanDerWaalsContact CA-O 3.29Å; E12-Y134 WeakPolarHBondContact CA-O 3.42Å
13I98.6Very high84.5Confident1 Ų162.2 Ų62.21%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-119.5137.1175.1-176.2171.1000109.8F15 I30 V50 V97 V99 V114 W133 Y134 L136I13-F15 HydrophobicContact CD1-CD1 4.35Å; I13-F15 HydrophobicContact CG1-CD1 4.11Å; I13-F15 HydrophobicContact CG2-CD1 4.05Å; I13-F15 HydrophobicContact CG2-CE1 3.98Å; I13-I30 HydrophobicContact CD1-CG2 4.38Å; I13-V50 HydrophobicContact CD1-CG1 4.1Å; I13-V50 HydrophobicContact CD1-CG2 3.82Å; I13-V97 HydrophobicContact CD1-CG1 3.78Å; I13-V99 HydrophobicContact CD1-CG2 4.04Å; I13-V114 HydrophobicContact CG2-CG2 3.79Å; I13-W133 CarbonylContact O-C 3.59Å; I13-W133 WeakPolarHBondContact O-CA 3.26Å; I13-Y134 PolarHBondContact N-O 2.64Å; I13-Y134 PolarHBondContact O-N 2.94Å; I13-L136 HydrophobicContact CB-CD2 4.22Å; I13-L136 HydrophobicContact CG2-CD2 3.78Å; I13-L136 HydrophobicContact CG2-CG 4.46Å
14E98.1Very high87Confident45 Ų4556.8 Ų56.821%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-103.8125.5172.6-168.7-176.9-128.400110.5K31 T32 A131 R132 W133E14-K31 HydrophobicContact CB-CB 4.16Å; E14-K31 HydrophobicContact CG-CB 4.17Å; E14-K31 HydrophobicContact CG-CG 4.42Å; E14-K31 WeakPolarHBondContact O-CB 3.3Å; E14-K31 PolarHBondContact O-N 3.13Å; E14-K31 WeakPolarHBondContact OE2-CB 3.45Å; E14-T32 HydrophobicContact CB-CG2 4.09Å; E14-T32 PolarHBondContact N-O 2.77Å; E14-A131 HydrophobicContact CG-CB 3.94Å; E14-R132 WeakPolarHBondContact CA-O 3.38Å; E14-W133 HydrophobicContact CB-CD2 3.72Å; E14-W133 HydrophobicContact CB-CE3 3.8Å; E14-W133 HydrophobicContact CB-CG 4.36Å; E14-W133 HydrophobicContact CB-CH2 3.97Å; E14-W133 HydrophobicContact CB-CZ2 3.84Å; E14-W133 HydrophobicContact CB-CZ3 3.92Å; E14-W133 HydrophobicContact CG-CD2 4.21Å; E14-W133 HydrophobicContact CG-CG 4.43Å; E14-W133 HydrophobicContact CG-CZ2 4.4Å; E14-W133 PolarHBondContact OE1-NE1 3.43Å
15F97.5Very high88.6Confident1 Ų153.3 Ų53.30%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-154.4161.1173.164.8-85.6000112.1I13 I17 I28 C29 I30 L95 V97 V114 L116 A131 R132 Y134I13-F15 HydrophobicContact CD1-CD1 4.35Å; I13-F15 HydrophobicContact CG1-CD1 4.11Å; I13-F15 HydrophobicContact CG2-CD1 4.05Å; I13-F15 HydrophobicContact CG2-CE1 3.98Å; F15-I17 HydrophobicContact CD2-CG1 4Å; F15-I17 HydrophobicContact CE2-CD1 3.95Å; F15-I17 HydrophobicContact CE2-CG1 3.82Å; F15-I28 HydrophobicContact CD2-CG2 3.98Å; F15-C29 CarbonylContact C-O 3.48Å; F15-C29 WeakPolarHBondContact CA-O 3.28Å; F15-C29 WeakPolarHBondContact CB-O 3.26Å; F15-I30 HydrophobicContact CB-CD1 3.92Å; F15-I30 HydrophobicContact CG-CD1 4.38Å; F15-L95 HydrophobicContact CE2-CD2 4.29Å; F15-V97 HydrophobicContact CE1-CB 4.39Å; F15-V97 HydrophobicContact CE1-CG1 4.4Å; F15-V97 HydrophobicContact CE1-CG2 4.24Å; F15-V97 HydrophobicContact CE2-CG2 4.01Å; F15-V97 HydrophobicContact CZ-CB 4.38Å; F15-V97 HydrophobicContact CZ-CG2 3.81Å; F15-V114 HydrophobicContact CZ-CG1 4.42Å; F15-L116 HydrophobicContact CE2-CD1 3.87Å; F15-L116 HydrophobicContact CZ-CD1 3.63Å; F15-A131 WeakPolarHBondContact O-CA 3.42Å; F15-R132 PolarHBondContact N-O 3.15Å; F15-R132 VanDerWaalsContact N-O 3.15Å; F15-R132 PolarHBondContact O-N 2.79Å; F15-Y134 AromaticContact CD1-CD2 3.73Å; F15-Y134 HydrophobicContact CD1-CD2 3.73Å; F15-Y134 HydrophobicContact CD1-CE2 4.13Å; F15-Y134 HydrophobicContact CD2-CE2 4.49Å; F15-Y134 AromaticContact CE1-CD2 3.2Å; F15-Y134 HydrophobicContact CE1-CD2 3.2Å; F15-Y134 AromaticContact CE1-CE2 3.68Å; F15-Y134 HydrophobicContact CE1-CE2 3.68Å; F15-Y134 AromaticContact CE1-CG 3.87Å; F15-Y134 HydrophobicContact CE1-CG 3.87Å; F15-Y134 HydrophobicContact CE2-CD2 4.42Å; F15-Y134 HydrophobicContact CE2-CE2 4.07Å; F15-Y134 AromaticContact CZ-CD2 3.61Å; F15-Y134 HydrophobicContact CZ-CD2 3.61Å; F15-Y134 AromaticContact CZ-CE2 3.64Å; F15-Y134 HydrophobicContact CZ-CE2 3.64Å; F15-Y134 HydrophobicContact CZ-CG 4.22Å
16A94.4Very high90.1Very high3 Ų349.9 Ų49.93%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-115.9152.6172.700000110.8H18 I28 C29 Q129 A131A16-H18 WeakPolarHBondContact CB-NE2 3.4Å; A16-I28 CarbonylContact O-C 3.49Å; A16-I28 WeakPolarHBondContact O-CA 3.4Å; A16-C29 HydrophobicContact CB-CB 4.29Å; A16-C29 PolarHBondContact N-O 2.98Å; A16-C29 PolarHBondContact O-N 2.84Å; A16-Q129 WeakPolarHBondContact CB-O 3.34Å; A16-A131 HydrophobicContact CB-CB 4.17Å
17I94.4Very high91.5Very high0 Ų046.9 Ų46.90%026%0.258CS..EExtended strand (participates in β ladder)trans-123.1122.6175.3-47.6176.7000108.7F15 L26 E27 L95 L116 L118 W121 F123F15-I17 HydrophobicContact CD2-CG1 4Å; F15-I17 HydrophobicContact CE2-CD1 3.95Å; F15-I17 HydrophobicContact CE2-CG1 3.82Å; I17-L26 HydrophobicContact CG2-CD1 3.55Å; I17-L26 HydrophobicContact CG2-CG 4.26Å; I17-E27 WeakPolarHBondContact CA-O 3.22Å; I17-L95 HydrophobicContact CD1-CD2 3.63Å; I17-L95 HydrophobicContact CG1-CD2 4.08Å; I17-L116 HydrophobicContact CD1-CD1 3.87Å; I17-L118 HydrophobicContact CD1-CD2 4.42Å; I17-W121 HydrophobicContact CB-CH2 4.41Å; I17-W121 HydrophobicContact CB-CZ2 3.65Å; I17-W121 HydrophobicContact CD1-CD2 4.03Å; I17-W121 HydrophobicContact CD1-CE3 4Å; I17-W121 HydrophobicContact CD1-CH2 3.7Å; I17-W121 HydrophobicContact CD1-CZ2 3.74Å; I17-W121 HydrophobicContact CD1-CZ3 3.84Å; I17-W121 HydrophobicContact CG1-CH2 4.06Å; I17-W121 HydrophobicContact CG1-CZ2 3.8Å; I17-F123 HydrophobicContact CG2-CE1 4.02Å
18H91Very high92.7Very high54 Ų5445.9 Ų45.925%0.2525%0.25CS..EExtended strand (participates in β ladder)trans-125149176.8-53.4-92.7000110.2A16 L26 E27 Q129A16-H18 WeakPolarHBondContact CB-NE2 3.4Å; H18-L26 CarbonylContact O-C 3.55Å; H18-E27 HydrophobicContact CB-CB 4.43Å; H18-E27 PolarHBondContact N-O 2.85Å; H18-E27 PolarHBondContact O-N 3.19Å; H18-Q129 PolarHBondContact CE1-O 2.84Å; H18-Q129 WeakPolarHBondContact ND1-CB 3.48Å; H18-Q129 PolarHBondContact ND1-OE1 2.79Å; H18-Q129 PolarHBondContact NE2-O 3.36Å
19Y91.3Very high93.2Very high24 Ų2439.6 Ų39.69%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-115.2115.5167.8-170.7-93.4000110V21 C24 L26 V85 P87 L90Y19-V21 HydrophobicContact CD1-CG2 3.94Å; Y19-V21 HydrophobicContact CE1-CG2 4.15Å; Y19-V21 PolarHBondContact O-N 3.08Å; Y19-C24 VanDerWaalsContact OH-C 3.31Å; Y19-C24 VanDerWaalsContact OH-CA 3.25Å; Y19-C24 WeakPolarHBondContact OH-CA 3.42Å; Y19-L26 HydrophobicContact CD2-CB 4.14Å; Y19-L26 HydrophobicContact CD2-CD1 4.3Å; Y19-V85 HydrophobicContact CE2-CG1 4.12Å; Y19-V85 VanDerWaalsContact CE2-O 3.25Å; Y19-V85 WeakPolarHBondContact CE2-O 3.31Å; Y19-V85 PolarHBondContact OH-O 3.35Å; Y19-P87 HydrophobicContact CE1-CB 4.2Å; Y19-P87 HydrophobicContact CE1-CG 3.68Å; Y19-P87 WeakPolarHBondContact OH-CD 3.07Å; Y19-P87 WeakPolarHBondContact OH-CG 3.42Å; Y19-L90 HydrophobicContact CD2-CD1 3.54Å; Y19-L90 HydrophobicContact CD2-CD2 4.44Å; Y19-L90 HydrophobicContact CE2-CD1 3.77Å; Y19-L90 HydrophobicContact CE2-CD2 4.49Å; Y19-L90 HydrophobicContact CE2-CG 4.45Å; Y19-L90 HydrophobicContact CG-CD1 4.04Å
20C89.3Confident93.6Very high42 Ų4237.9 Ų37.928%0.28421%0.207SC..EExtended strand (participates in β ladder)trans-88.1103.4174.6-176.70000109.4K22 S23 C24 S25C20-K22 VanDerWaalsContact C-N 3.29Å; C20-K22 PolarHBondContact O-N 3.22Å; C20-S23 WeakPolarHBondContact CB-OG 3.21Å; C20-S23 PolarHBondContact O-N 3.39Å; C20-S23 PolarHBondContact SG-OG 3.01Å; C20-C24 WeakPolarHBondContact O-CA 3.45Å; C20-C24 PolarHBondContact O-N 2.98Å; C20-S25 PolarHBondContact N-O 2.84Å; C20-S25 PolarHBondContact O-N 2.95Å; C20-S25 VanDerWaalsContact O-N 3.08Å
21V86.7Confident93.7Very high108 Ų10838.3 Ų38.366%0.65520%0.203SC*.G310 helixtrans-61.1-37.6179.1-179.40000111.8Y19 S23 C24Y19-V21 HydrophobicContact CD1-CG2 3.94Å; Y19-V21 HydrophobicContact CE1-CG2 4.15Å; Y19-V21 PolarHBondContact O-N 3.08Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 3.24Å; V21-C24 PolarHBondContact O-N 3.03Å
22K86.9Confident93.8Very high212 Ų21238.7 Ų38.792%0.92220%0.202SC*.G310 helixtrans-62.2-34.9-178.4-67.2-175.6179.8-179.60113C20C20-K22 VanDerWaalsContact C-N 3.29Å; C20-K22 PolarHBondContact O-N 3.22Å
23S87.3Confident93.8Very high50 Ų5035.9 Ų35.935%0.3519%0.189SC..G310 helixtrans-10911.5-179.155.20000113.3C20 V21 S25 Q84C20-S23 WeakPolarHBondContact CB-OG 3.21Å; C20-S23 PolarHBondContact O-N 3.39Å; C20-S23 PolarHBondContact SG-OG 3.01Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 3.24Å; S23-S25 PolarHBondContact O-N 3.15Å; S23-S25 VanDerWaalsContact O-N 3.15Å; S23-S25 PolarHBondContact OG-OG 2.8Å; S23-Q84 PolarHBondContact O-OE1 3.08Å
24C89.5Confident93.8Very high57 Ų5739 Ų3939%0.38520%0.202SC..THydrogen-bonded Turntrans4247.4-174.6-64.70000113.3Y19 C20 V21 V85Y19-C24 VanDerWaalsContact OH-C 3.31Å; Y19-C24 VanDerWaalsContact OH-CA 3.25Å; Y19-C24 WeakPolarHBondContact OH-CA 3.42Å; C20-C24 WeakPolarHBondContact O-CA 3.45Å; C20-C24 PolarHBondContact O-N 2.98Å; V21-C24 PolarHBondContact O-N 3.03Å; C24-V85 CarbonylContact C-O 3.59Å; C24-V85 CarbonylContact O-C 3.59Å; C24-V85 PolarHBondContact O-N 3.1Å
25S91.7Very high93.8Very high1 Ų141.9 Ų41.91%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-130.4132-170.265.40000114.2C20 S23 Y83C20-S25 PolarHBondContact N-O 2.84Å; C20-S25 PolarHBondContact O-N 2.95Å; C20-S25 VanDerWaalsContact O-N 3.08Å; S23-S25 PolarHBondContact O-N 3.15Å; S23-S25 VanDerWaalsContact O-N 3.15Å; S23-S25 PolarHBondContact OG-OG 2.8Å; S25-Y83 CarbonylContact C-O 3.57Å; S25-Y83 WeakPolarHBondContact CA-O 3.46Å; S25-Y83 WeakPolarHBondContact CB-O 3.37Å
26L93.6Very high93.8Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-84.2121.2167.5-175.276.1000109.2I17 H18 Y19 I28 L54 K82 Y83 V85 L90 L118 F123I17-L26 HydrophobicContact CG2-CD1 3.55Å; I17-L26 HydrophobicContact CG2-CG 4.26Å; H18-L26 CarbonylContact O-C 3.55Å; Y19-L26 HydrophobicContact CD2-CB 4.14Å; Y19-L26 HydrophobicContact CD2-CD1 4.3Å; L26-I28 HydrophobicContact CD2-CD1 4.06Å; L26-I28 HydrophobicContact CG-CD1 3.99Å; L26-L54 HydrophobicContact CD2-CD1 4.07Å; L26-K82 WeakPolarHBondContact O-CA 3.26Å; L26-Y83 PolarHBondContact N-O 2.75Å; L26-Y83 PolarHBondContact O-N 2.74Å; L26-V85 HydrophobicContact CB-CG1 3.73Å; L26-L90 HydrophobicContact CB-CD2 4.42Å; L26-L90 HydrophobicContact CD1-CD2 4.21Å; L26-L90 HydrophobicContact CD2-CD2 4.26Å; L26-L118 HydrophobicContact CD2-CD1 3.68Å; L26-F123 HydrophobicContact CD1-CE1 3.5Å; L26-F123 VanDerWaalsContact CD1-CE1 3.5Å; L26-F123 HydrophobicContact CD1-CZ 3.89Å
27E94.6Very high93.8Very high38 Ų3842.4 Ų42.418%0.17822%0.223CC..EExtended strand (participates in β ladder)trans-111.3123.1-178.5-55.1-161.8167.100110.1I17 H18 T80 K82I17-E27 WeakPolarHBondContact CA-O 3.22Å; H18-E27 HydrophobicContact CB-CB 4.43Å; H18-E27 PolarHBondContact N-O 2.85Å; H18-E27 PolarHBondContact O-N 3.19Å; E27-T80 HydrophobicContact CB-CG2 3.82Å; E27-T80 HydrophobicContact CG-CG2 4.44Å; E27-K82 HydrophobicContact CG-CD 4.14Å; E27-K82 HydrophobicContact CG-CG 4.1Å; E27-K82 WeakPolarHBondContact OE1-CE 3.12Å; E27-K82 IonicContact OE1-NZ 3.08Å; E27-K82 PolarHBondContact OE1-NZ 2.76Å; E27-K82 IonicContact OE2-NZ 3.76Å
28I96.2Very high93.9Very high0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-110.6104.1178.7-56.678000107.1F15 A16 L26 I30 T52 T80 L81 Y83 L95F15-I28 HydrophobicContact CD2-CG2 3.98Å; A16-I28 CarbonylContact O-C 3.49Å; A16-I28 WeakPolarHBondContact O-CA 3.4Å; L26-I28 HydrophobicContact CD2-CD1 4.06Å; L26-I28 HydrophobicContact CG-CD1 3.99Å; I28-I30 HydrophobicContact CG2-CD1 3.6Å; I28-I30 HydrophobicContact CG2-CG1 4.41Å; I28-I30 PolarHBondContact O-N 2.91Å; I28-T52 HydrophobicContact CG2-CG2 4.44Å; I28-T80 WeakPolarHBondContact O-CA 3.44Å; I28-L81 HydrophobicContact CB-CB 4.49Å; I28-L81 WeakPolarHBondContact CD1-O 3.49Å; I28-L81 PolarHBondContact N-O 2.86Å; I28-L81 PolarHBondContact O-N 2.82Å; I28-Y83 HydrophobicContact CD1-CD2 3.44Å; I28-Y83 VanDerWaalsContact CD1-CD2 3.44Å; I28-Y83 HydrophobicContact CD1-CE2 3.63Å; I28-L95 HydrophobicContact CD1-CD1 4.23Å; I28-L95 HydrophobicContact CG1-CD1 3.94Å; I28-L95 HydrophobicContact CG1-CD2 3.7Å; I28-L95 HydrophobicContact CG1-CG 4.5Å; I28-L95 HydrophobicContact CG2-CD2 4.34Å
29C96.5Very high94Very high15 Ų1542.8 Ų42.810%0.10123%0.225CC..EExtended strand (participates in β ladder)trans-88100.4179.4-173.90000109.4F15 A16 K31F15-C29 CarbonylContact C-O 3.48Å; F15-C29 WeakPolarHBondContact CA-O 3.28Å; F15-C29 WeakPolarHBondContact CB-O 3.26Å; A16-C29 HydrophobicContact CB-CB 4.29Å; A16-C29 PolarHBondContact N-O 2.98Å; A16-C29 PolarHBondContact O-N 2.84Å; C29-K31 PolarHBondContact O-N 2.78Å; C29-K31 WeakPolarHBondContact SG-CE 3.32Å; C29-K31 PolarHBondContact SG-NZ 2.89Å; C29-K31 VanDerWaalsContact SG-NZ 3.37Å
30I98.2Very high94Very high0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-79.5114.2177.3-54.3-58.2000108.3I13 F15 I28 V50 T66 F77 E78 E79 L81 V97I13-I30 HydrophobicContact CD1-CG2 4.38Å; F15-I30 HydrophobicContact CB-CD1 3.92Å; F15-I30 HydrophobicContact CG-CD1 4.38Å; I28-I30 HydrophobicContact CG2-CD1 3.6Å; I28-I30 HydrophobicContact CG2-CG1 4.41Å; I28-I30 PolarHBondContact O-N 2.91Å; I30-V50 HydrophobicContact CD1-CG1 3.97Å; I30-V50 HydrophobicContact CG1-CG1 4.26Å; I30-V50 HydrophobicContact CG2-CB 4.22Å; I30-V50 HydrophobicContact CG2-CG1 4.48Å; I30-V50 HydrophobicContact CG2-CG2 3.8Å; I30-T66 HydrophobicContact CB-CG2 4.1Å; I30-T66 HydrophobicContact CG1-CG2 4.04Å; I30-T66 HydrophobicContact CG2-CG2 4.14Å; I30-F77 HydrophobicContact CB-CB 4.47Å; I30-F77 HydrophobicContact CG2-CB 3.95Å; I30-F77 HydrophobicContact CG2-CD2 3.68Å; I30-F77 HydrophobicContact CG2-CE2 4.47Å; I30-F77 HydrophobicContact CG2-CG 3.99Å; I30-E78 WeakPolarHBondContact O-CA 3.25Å; I30-E78 PolarHBondContact O-N 3.04Å; I30-E78 VanDerWaalsContact O-N 3.09Å; I30-E79 PolarHBondContact N-O 2.92Å; I30-E79 PolarHBondContact O-N 2.85Å; I30-E79 VanDerWaalsContact O-N 3.1Å; I30-L81 HydrophobicContact CG1-CD1 4.06Å; I30-L81 HydrophobicContact CG1-CG 4.32Å; I30-V97 HydrophobicContact CD1-CG1 4.06Å
31K98Very high94Very high74 Ų7446.9 Ų46.932%0.32224%0.241SC..EExtended strand (participates in β ladder)trans-88.8-75.5-177.3-63.3-59.6-168.3-1800111E14 C29 F77 E78 A131E14-K31 HydrophobicContact CB-CB 4.16Å; E14-K31 HydrophobicContact CG-CB 4.17Å; E14-K31 HydrophobicContact CG-CG 4.42Å; E14-K31 WeakPolarHBondContact O-CB 3.3Å; E14-K31 PolarHBondContact O-N 3.13Å; E14-K31 WeakPolarHBondContact OE2-CB 3.45Å; C29-K31 PolarHBondContact O-N 2.78Å; C29-K31 WeakPolarHBondContact SG-CE 3.32Å; C29-K31 PolarHBondContact SG-NZ 2.89Å; C29-K31 VanDerWaalsContact SG-NZ 3.37Å; K31-F77 PolarHBondContact O-N 3.29Å; K31-E78 PolarHBondContact O-N 3.01Å; K31-A131 HydrophobicContact CG-CB 3.92Å
32T98.4Very high94.3Very high27 Ų2752 Ų5217%0.16626%0.255CS..EExtended strand (participates in β ladder)trans-151.5163.7-173.9-171.60000110.6E14 P75 W133E14-T32 HydrophobicContact CB-CG2 4.09Å; E14-T32 PolarHBondContact N-O 2.77Å; T32-P75 CarbonylContact C-O 3.29Å; T32-P75 WeakPolarHBondContact CA-O 3.47Å; T32-P75 WeakPolarHBondContact CB-O 3.36Å; T32-P75 PolarHBondContact OG1-O 2.85Å; T32-W133 HydrophobicContact CG2-CH2 3.48Å; T32-W133 VanDerWaalsContact CG2-CH2 3.48Å; T32-W133 HydrophobicContact CG2-CZ2 3.77Å; T32-W133 HydrophobicContact CG2-CZ3 4.41Å
33C98.6Very high94.5Very high1 Ų147 Ų471%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-115.5165.7160-56.50000109.8E12 L36 D74 P75E12-C33 CarbonylContact O-C 3.16Å; E12-C33 VanDerWaalsContact O-CA 3.23Å; E12-C33 WeakPolarHBondContact O-CA 3.3Å; E12-C33 WeakPolarHBondContact O-CB 3.44Å; C33-L36 HydrophobicContact CB-CD1 3.84Å; C33-L36 HydrophobicContact CB-CD2 3.84Å; C33-L36 HydrophobicContact CB-CG 3.86Å; C33-D74 CarbonylContact O-C 3.42Å; C33-D74 VanDerWaalsContact O-CA 3.28Å; C33-D74 WeakPolarHBondContact O-CA 3.31Å; C33-P75 HydrophobicContact CB-CG 3.78Å; C33-P75 PolarHBondContact N-O 2.88Å
34K98Very high94.8Very high67 Ų6752.5 Ų52.529%0.29125%0.246SC..EExtended strand (participates in β ladder)trans-140.9152.7168.868.7-173174.21750112G11 E12 L36 D74 W133G11-K34 CarbonylContact C-O 3.58Å; G11-K34 WeakPolarHBondContact CA-O 3.37Å; E12-K34 HydrophobicContact CB-CG 4.41Å; E12-K34 PolarHBondContact N-O 3.11Å; E12-K34 PolarHBondContact O-N 2.63Å; E12-K34 WeakPolarHBondContact OE2-CE 3.41Å; E12-K34 IonicContact OE2-NZ 3.5Å; E12-K34 PolarHBondContact OE2-NZ 3.5Å; K34-L36 VanDerWaalsContact C-N 3.27Å; K34-L36 PolarHBondContact O-N 2.93Å; K34-D74 WeakPolarHBondContact CA-OD1 3.48Å; K34-D74 WeakPolarHBondContact CB-OD1 3.34Å; K34-W133 HydrophobicContact CB-CH2 4.1Å; K34-W133 HydrophobicContact CB-CZ3 4.2Å; K34-W133 HydrophobicContact CD-CE3 4.23Å; K34-W133 HydrophobicContact CD-CH2 3.65Å; K34-W133 HydrophobicContact CD-CZ2 4.16Å; K34-W133 HydrophobicContact CD-CZ3 3.72Å; K34-W133 HydrophobicContact CG-CE3 4.34Å; K34-W133 HydrophobicContact CG-CH2 3.81Å; K34-W133 HydrophobicContact CG-CZ3 3.59Å
35N97.3Very high95.1Very high106 Ų10654.3 Ų54.357%0.56725%0.247SC*.SBendtrans55.335.8175.7-59.5-39.7000114.3T10 G11 D74T10-N35 CarbonylContact C-O 3.58Å; T10-N35 PolarHBondContact OG1-O 2.87Å; G11-N35 WeakPolarHBondContact CA-O 3.22Å; G11-N35 PolarHBondContact N-O 2.85Å; N35-D74 PolarHBondContact N-OD1 2.88Å
36L97.7Very high95.3Very high4 Ų454.3 Ų54.32%0.02125%0.247CC..PPolyproline II helixtrans-64154.8176.6-63.9-179.6000111.5T10 C33 K34 P48 L73 P75 V99 L111 L136T10-L36 VanDerWaalsContact OG1-C 3.3Å; C33-L36 HydrophobicContact CB-CD1 3.84Å; C33-L36 HydrophobicContact CB-CD2 3.84Å; C33-L36 HydrophobicContact CB-CG 3.86Å; K34-L36 VanDerWaalsContact C-N 3.27Å; K34-L36 PolarHBondContact O-N 2.93Å; L36-P48 HydrophobicContact CD1-CB 3.62Å; L36-P48 HydrophobicContact CD1-CG 4.04Å; L36-L73 HydrophobicContact CB-CB 4.46Å; L36-L73 WeakPolarHBondContact CB-O 3.37Å; L36-L73 VanDerWaalsContact CG-O 3.25Å; L36-L73 WeakPolarHBondContact CG-O 3.45Å; L36-L73 PolarHBondContact N-O 2.79Å; L36-L73 VanDerWaalsContact N-O 3.13Å; L36-L73 WeakPolarHBondContact O-CD2 3.39Å; L36-P75 HydrophobicContact CD1-CG 3.82Å; L36-V99 HydrophobicContact CD1-CG1 3.97Å; L36-V99 HydrophobicContact CD2-CG1 4.12Å; L36-L111 HydrophobicContact CD1-CD1 4.5Å; L36-L136 HydrophobicContact CD2-CD1 3.32Å
37A95.8Very high95.5Very high11 Ų1155.9 Ų55.99%0.09126%0.256CS..PPolyproline II helixtrans-73.2156.6170.600000111.3A7 N8 T10 G39 C46 L111A7-A37 HydrophobicContact CB-CB 4.17Å; N8-A37 WeakPolarHBondContact O-CB 3.47Å; T10-A37 PolarHBondContact OG1-N 2.92Å; A37-G39 PolarHBondContact O-N 2.85Å; A37-C46 PolarHBondContact O-SG 2.95Å; A37-L111 HydrophobicContact CB-CD2 4.45Å
38Y95.4Very high95.7Very high53 Ų5354 Ų5421%0.20825%0.247CC..PPolyproline II helixtrans-68.8130.6168-65.5-74.2000109.9E40 R44 L73Y38-E40 VanDerWaalsContact C-N 3.33Å; Y38-R44 VanDerWaalsContact CD1-CA 3.46Å; Y38-R44 HydrophobicContact CD1-CB 4.09Å; Y38-R44 WeakPolarHBondContact CD1-O 3.45Å; Y38-R44 HydrophobicContact CE1-CB 3.72Å; Y38-R44 WeakPolarHBondContact CE1-O 3.15Å; Y38-R44 HydrophobicContact CE2-CB 4.47Å; Y38-R44 HydrophobicContact CE2-CG 4.49Å; Y38-R44 PolarHBondContact OH-NE 2.85Å; Y38-R44 PolarHBondContact OH-NH2 3.21Å; Y38-R44 VanDerWaalsContact OH-NH2 3.09Å; Y38-L73 HydrophobicContact CD1-CD2 3.82Å; Y38-L73 HydrophobicContact CE1-CD1 3.99Å; Y38-L73 HydrophobicContact CE1-CD2 3.91Å; Y38-L73 HydrophobicContact CE1-CG 4.23Å; Y38-L73 HydrophobicContact CE2-CD1 4.22Å; Y38-L73 HydrophobicContact CG-CD2 4.38Å
39G92.6Very high95.8Very high8 Ų854.5 Ų54.58%0.08225%0.249CC..SBendtrans-77.6-23.1171.100000113A37 K45 V109A37-G39 PolarHBondContact O-N 2.85Å; G39-K45 PolarHBondContact N-O 3.11Å; G39-V109 WeakPolarHBondContact O-CG2 3.28Å
40E92.2Very high95.9Very high20 Ų2053.8 Ų53.89%0.09324%0.244CC..BIsolated β-bridgetrans-126.885.8171-71.7-177.4-134.700109.5Y38 K42 K43 R44 K45 H101 G103 T104Y38-E40 VanDerWaalsContact C-N 3.33Å; E40-K42 PolarHBondContact O-N 3.16Å; E40-K43 HydrophobicContact CB-CB 4.32Å; E40-K43 CarbonylContact O-C 3.57Å; E40-K43 PolarHBondContact O-N 3.14Å; E40-K43 WeakPolarHBondContact OE2-CD 3.05Å; E40-K43 VanDerWaalsContact OE2-CE 3.3Å; E40-K43 WeakPolarHBondContact OE2-CE 3.16Å; E40-K43 IonicContact OE2-NZ 2.96Å; E40-K43 PolarHBondContact OE2-NZ 3.22Å; E40-R44 PolarHBondContact O-N 2.82Å; E40-K45 HydrophobicContact CB-CB 4.29Å; E40-K45 PolarHBondContact N-O 2.86Å; E40-K45 VanDerWaalsContact N-O 3.07Å; E40-K45 PolarHBondContact O-N 3.42Å; E40-H101 IonicContact OE1-NE2 3.47Å; E40-H101 PolarHBondContact OE1-NE2 2.57Å; E40-G103 WeakPolarHBondContact OE1-CA 3.44Å; E40-T104 PolarHBondContact OE1-N 3.25Å
41E89.6Confident95.9Very high132 Ų13254.4 Ų54.462%0.61725%0.247SC*.G310 helixtrans-51.8-50.9-174.8-165.163.8-154.200112.7K43 R44E41-K43 PolarHBondContact O-N 3.25Å; E41-K43 VanDerWaalsContact O-N 3.13Å; E41-R44 PolarHBondContact O-N 3.43Å
42K91.7Very high95.8Very high217 Ų21750.9 Ų50.994%0.94323%0.231SC*.G310 helixtrans-58.4-30.8-179.2-66.2-173.7178.4-176.30113.7E40E40-K42 PolarHBondContact O-N 3.16Å
43K92.5Very high95.7Very high105 Ų10551.5 Ų51.546%0.45723%0.231SC..G310 helixtrans-98.9-4.4-179.7-59-168.9-162.7143.60112.5E40 E41 K45E40-K43 HydrophobicContact CB-CB 4.32Å; E40-K43 CarbonylContact O-C 3.57Å; E40-K43 PolarHBondContact O-N 3.14Å; E40-K43 WeakPolarHBondContact OE2-CD 3.05Å; E40-K43 VanDerWaalsContact OE2-CE 3.3Å; E40-K43 WeakPolarHBondContact OE2-CE 3.16Å; E40-K43 IonicContact OE2-NZ 2.96Å; E40-K43 PolarHBondContact OE2-NZ 3.22Å; E41-K43 PolarHBondContact O-N 3.25Å; E41-K43 VanDerWaalsContact O-N 3.13Å; K43-K45 HydrophobicContact CB-CB 4.33Å; K43-K45 HydrophobicContact CB-CD 4.13Å; K43-K45 HydrophobicContact CB-CG 3.98Å; K43-K45 HydrophobicContact CD-CD 4.46Å; K43-K45 PolarHBondContact O-N 3.3Å
44R93.9Very high95.5Very high167 Ų16752.1 Ų52.163%0.6323%0.234SC*.THydrogen-bonded Turntrans47.445.9-169.7-61.3-174.464.3155.4-0.5112Y38 E40 E41Y38-R44 VanDerWaalsContact CD1-CA 3.46Å; Y38-R44 HydrophobicContact CD1-CB 4.09Å; Y38-R44 WeakPolarHBondContact CD1-O 3.45Å; Y38-R44 HydrophobicContact CE1-CB 3.72Å; Y38-R44 WeakPolarHBondContact CE1-O 3.15Å; Y38-R44 HydrophobicContact CE2-CB 4.47Å; Y38-R44 HydrophobicContact CE2-CG 4.49Å; Y38-R44 PolarHBondContact OH-NE 2.85Å; Y38-R44 PolarHBondContact OH-NH2 3.21Å; Y38-R44 VanDerWaalsContact OH-NH2 3.09Å; E40-R44 PolarHBondContact O-N 2.82Å; E41-R44 PolarHBondContact O-N 3.43Å
45K94.8Very high95.2Very high94 Ų9449.1 Ų49.141%0.40922%0.221SC..BIsolated β-bridgetrans-111.6138-179-73.9-174.3179.1-174.90111.9G39 E40 K43 H101G39-K45 PolarHBondContact N-O 3.11Å; E40-K45 HydrophobicContact CB-CB 4.29Å; E40-K45 PolarHBondContact N-O 2.86Å; E40-K45 VanDerWaalsContact N-O 3.07Å; E40-K45 PolarHBondContact O-N 3.42Å; K43-K45 HydrophobicContact CB-CB 4.33Å; K43-K45 HydrophobicContact CB-CD 4.13Å; K43-K45 HydrophobicContact CB-CG 3.98Å; K43-K45 HydrophobicContact CD-CD 4.46Å; K43-K45 PolarHBondContact O-N 3.3Å; K45-H101 PolarHBondContact O-CE1 3.2Å
46C96.5Very high94.7Very high1 Ų145.2 Ų45.21%0.00720%0.202CC..  trans-138.9118.9168.9-163.40000111.1A37 P48 N71 T72 L73 H101 L111A37-C46 PolarHBondContact O-SG 2.95Å; C46-P48 VanDerWaalsContact C-CD 3.42Å; C46-P48 VanDerWaalsContact O-CD 3.27Å; C46-P48 WeakPolarHBondContact O-CD 3.44Å; C46-N71 CarbonylContact O-C 3.41Å; C46-N71 WeakPolarHBondContact O-CA 3.28Å; C46-N71 PolarHBondContact O-N 3.03Å; C46-T72 WeakPolarHBondContact CB-O 3.35Å; C46-T72 PolarHBondContact O-N 3.34Å; C46-L73 HydrophobicContact CB-CD2 3.48Å; C46-L73 VanDerWaalsContact CB-CD2 3.48Å; C46-H101 WeakPolarHBondContact CA-ND1 3.27Å; C46-L111 VanDerWaalsContact SG-CD1 3.59Å
47N97.5Very high94.1Very high33 Ų3345.9 Ų45.918%0.17621%0.205CC..  trans-113.179170.7-51.7-51.4000109V68 Q69 N71 H101 L102N47-V68 HydrophobicContact CB-CG1 3.76Å; N47-Q69 CarbonylContact C-O 3.54Å; N47-Q69 WeakPolarHBondContact CA-O 3.34Å; N47-N71 PolarHBondContact OD1-N 2.89Å; N47-H101 PolarHBondContact N-CE1 3.3Å; N47-H101 VanDerWaalsContact N-CE1 3.26Å; N47-H101 PolarHBondContact N-ND1 2.91Å; N47-H101 WeakPolarHBondContact O-CA 3.46Å; N47-L102 WeakPolarHBondContact CB-O 3.3Å; N47-L102 PolarHBondContact ND2-O 3.42Å; N47-L102 PolarHBondContact O-N 3.32Å
48P98.1Very high93.7Very high0 Ų050.2 Ų50.20%022%0.219CC..EExtended strand (participates in β ladder)trans-75.1148.2-170.230.4-37.2000113L36 C46 Q69 T72 P75 F77 V99 W100 L111L36-P48 HydrophobicContact CD1-CB 3.62Å; L36-P48 HydrophobicContact CD1-CG 4.04Å; C46-P48 VanDerWaalsContact C-CD 3.42Å; C46-P48 VanDerWaalsContact O-CD 3.27Å; C46-P48 WeakPolarHBondContact O-CD 3.44Å; P48-Q69 VanDerWaalsContact CD-O 3.22Å; P48-Q69 WeakPolarHBondContact CD-O 3.38Å; P48-Q69 HydrophobicContact CG-CB 4.26Å; P48-Q69 PolarHBondContact O-N 3.36Å; P48-T72 WeakPolarHBondContact CD-O 3.34Å; P48-T72 HydrophobicContact CG-CG2 4.11Å; P48-P75 HydrophobicContact CB-CB 4.47Å; P48-P75 HydrophobicContact CB-CG 3.98Å; P48-P75 HydrophobicContact CG-CB 3.56Å; P48-P75 HydrophobicContact CG-CG 3.45Å; P48-P75 VanDerWaalsContact CG-CG 3.45Å; P48-F77 HydrophobicContact CB-CZ 4.37Å; P48-V99 HydrophobicContact CB-CG1 4.33Å; P48-W100 CarbonylContact C-O 3.46Å; P48-W100 VanDerWaalsContact CA-O 3.23Å; P48-W100 WeakPolarHBondContact CA-O 3.23Å; P48-L111 HydrophobicContact CB-CD1 4.47Å
49Y98.5Very high93Very high10 Ų1049 Ų494%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-149.9153.6167.169.4-75000110.2K51 R67 V68 W100 L102Y49-K51 HydrophobicContact CD2-CG 4.17Å; Y49-K51 HydrophobicContact CE2-CD 4.09Å; Y49-K51 HydrophobicContact CE2-CG 3.74Å; Y49-K51 VanDerWaalsContact CZ-CE 3.43Å; Y49-K51 WeakPolarHBondContact OH-CE 2.74Å; Y49-K51 PolarHBondContact OH-NZ 3.49Å; Y49-R67 WeakPolarHBondContact CB-O 3.34Å; Y49-V68 HydrophobicContact CD1-CG2 4.1Å; Y49-V68 HydrophobicContact CG-CG2 4.06Å; Y49-W100 HydrophobicContact CD1-CB 3.89Å; Y49-W100 WeakPolarHBondContact CD1-O 3.49Å; Y49-W100 HydrophobicContact CE1-CB 3.33Å; Y49-W100 HydrophobicContact CE1-CG 4.4Å; Y49-W100 HydrophobicContact CE2-CB 4.14Å; Y49-W100 HydrophobicContact CG-CB 4.45Å; Y49-W100 VanDerWaalsContact CZ-CB 3.45Å; Y49-W100 PolarHBondContact N-O 2.97Å; Y49-W100 PolarHBondContact O-N 2.86Å; Y49-L102 HydrophobicContact CD1-CB 4.3Å; Y49-L102 HydrophobicContact CE1-CB 4.09Å
50V98.5Very high92.5Very high0 Ų052.9 Ų52.90%024%0.244CC..EExtended strand (participates in β ladder)trans-102.1139.9-178.7-177.10000109.8I13 I30 T52 K65 T66 F77 V97 S98 V99I13-V50 HydrophobicContact CD1-CG1 4.1Å; I13-V50 HydrophobicContact CD1-CG2 3.82Å; I30-V50 HydrophobicContact CD1-CG1 3.97Å; I30-V50 HydrophobicContact CG1-CG1 4.26Å; I30-V50 HydrophobicContact CG2-CB 4.22Å; I30-V50 HydrophobicContact CG2-CG1 4.48Å; I30-V50 HydrophobicContact CG2-CG2 3.8Å; V50-T52 HydrophobicContact CG1-CG2 4.42Å; V50-K65 CarbonylContact O-C 3.59Å; V50-K65 WeakPolarHBondContact O-CA 3.44Å; V50-K65 WeakPolarHBondContact O-CB 3.25Å; V50-T66 HydrophobicContact CB-CG2 3.92Å; V50-T66 PolarHBondContact N-OG1 3.11Å; V50-T66 PolarHBondContact O-N 2.84Å; V50-F77 HydrophobicContact CG2-CD2 4.2Å; V50-F77 HydrophobicContact CG2-CE2 3.72Å; V50-F77 HydrophobicContact CG2-CZ 3.94Å; V50-V97 HydrophobicContact CG1-CG1 3.55Å; V50-S98 CarbonylContact C-O 3.57Å; V50-S98 WeakPolarHBondContact CA-O 3.37Å; V50-V99 HydrophobicContact CG2-CG2 4.32Å
51K97.8Very high92Very high13 Ų1354.7 Ų54.76%0.05725%0.253CS..EExtended strand (participates in β ladder)trans-119.1139.2167.1-62.7178.2-163.7153.20109.4Y49 K63 R64 K65 S98 W100Y49-K51 HydrophobicContact CD2-CG 4.17Å; Y49-K51 HydrophobicContact CE2-CD 4.09Å; Y49-K51 HydrophobicContact CE2-CG 3.74Å; Y49-K51 VanDerWaalsContact CZ-CE 3.43Å; Y49-K51 WeakPolarHBondContact OH-CE 2.74Å; Y49-K51 PolarHBondContact OH-NZ 3.49Å; K51-K63 HydrophobicContact CD-CD 4.17Å; K51-R64 VanDerWaalsContact CA-O 3.32Å; K51-R64 WeakPolarHBondContact CA-O 3.49Å; K51-K65 HydrophobicContact CG-CB 4.25Å; K51-S98 PolarHBondContact N-O 2.9Å; K51-S98 PolarHBondContact O-N 2.93Å; K51-S98 PolarHBondContact O-OG 2.96Å; K51-S98 VanDerWaalsContact O-OG 3.06Å; K51-W100 HydrophobicContact CD-CD2 4.38Å; K51-W100 HydrophobicContact CD-CG 4.28Å; K51-W100 HydrophobicContact CD-CZ2 4.49Å; K51-W100 VanDerWaalsContact NZ-CD2 3.28Å
52T97.7Very high91.9Very high0 Ų048.7 Ų48.70%023%0.226CC..EExtended strand (participates in β ladder)trans-118.1149.8170.962.30000111.4I28 V50 R64 L81 Y83 Q96 V97I28-T52 HydrophobicContact CG2-CG2 4.44Å; V50-T52 HydrophobicContact CG1-CG2 4.42Å; T52-R64 PolarHBondContact N-O 2.92Å; T52-R64 PolarHBondContact O-N 3.48Å; T52-R64 VanDerWaalsContact O-N 3.1Å; T52-R64 WeakPolarHBondContact OG1-CB 3.47Å; T52-L81 HydrophobicContact CG2-CD1 3.72Å; T52-Y83 WeakPolarHBondContact CB-OH 3.49Å; T52-Y83 PolarHBondContact O-OH 3.13Å; T52-Y83 WeakPolarHBondContact OG1-CE2 3.11Å; T52-Y83 PolarHBondContact OG1-OH 2.77Å; T52-Q96 CarbonylContact C-O 3.49Å; T52-Q96 WeakPolarHBondContact CA-O 3.42Å; T52-V97 HydrophobicContact CG2-CB 4.37Å; T52-V97 HydrophobicContact CG2-CG1 4.09Å; T52-V97 HydrophobicContact CG2-CG2 4.06Å
53Y95.6Very high92Very high39 Ų3941.5 Ų41.515%0.15320%0.195CC..EExtended strand (participates in β ladder)trans-134.5143.9167-68.1-84.3000109.9D57 K63 Y83 Q96Y53-D57 WeakPolarHBondContact CD1-O 3.45Å; Y53-K63 HydrophobicContact CD1-CB 4.2Å; Y53-K63 HydrophobicContact CE1-CB 3.51Å; Y53-K63 HydrophobicContact CE1-CD 4.42Å; Y53-K63 HydrophobicContact CE1-CG 3.95Å; Y53-K63 HydrophobicContact CE2-CG 4.41Å; Y53-K63 WeakPolarHBondContact OH-CD 3.33Å; Y53-Y83 WeakPolarHBondContact CA-OH 3.34Å; Y53-Y83 PolarHBondContact N-OH 3.39Å; Y53-Q96 PolarHBondContact N-O 3.17Å; Y53-Q96 PolarHBondContact O-N 3.18Å
54L93.9Very high92.2Very high15 Ų1538.6 Ų38.68%0.07918%0.181CC..EExtended strand (participates in β ladder)trans-96.893.1167.2-170.466000107.8L26 D57 Y83 V85 R93 L118L26-L54 HydrophobicContact CD2-CD1 4.07Å; L54-D57 PolarHBondContact O-N 3.24Å; L54-Y83 HydrophobicContact CB-CD1 3.86Å; L54-Y83 HydrophobicContact CB-CE1 3.81Å; L54-Y83 HydrophobicContact CB-CG 4.47Å; L54-Y83 HydrophobicContact CD2-CD1 4.46Å; L54-V85 HydrophobicContact CD2-CB 4.14Å; L54-V85 HydrophobicContact CD2-CG1 4.26Å; L54-V85 HydrophobicContact CD2-CG2 3.97Å; L54-R93 HydrophobicContact CD1-CB 3.6Å; L54-R93 HydrophobicContact CD1-CG 4.13Å; L54-R93 HydrophobicContact CD2-CG 4.13Å; L54-R93 HydrophobicContact CG-CB 3.94Å; L54-R93 HydrophobicContact CG-CG 3.96Å; L54-L118 HydrophobicContact CD1-CD1 3.48Å; L54-L118 VanDerWaalsContact CD1-CD1 3.48Å
55L91.3Very high92.4Very high4 Ų437 Ų372%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-63.3140.5-175.8-61.5-177.4000110.6R58 R93 R94 Q96L55-R58 HydrophobicContact CD2-CG 3.55Å; L55-R93 WeakPolarHBondContact O-CA 3.49Å; L55-R93 WeakPolarHBondContact O-CD 3.44Å; L55-R94 HydrophobicContact CB-CB 4.19Å; L55-R94 WeakPolarHBondContact CB-O 3.42Å; L55-R94 HydrophobicContact CD1-CB 4.37Å; L55-R94 PolarHBondContact N-O 3.06Å; L55-R94 PolarHBondContact O-N 3.28Å; L55-Q96 HydrophobicContact CD1-CB 4.03Å; L55-Q96 HydrophobicContact CG-CB 4.1Å
56P87.8Confident92.5Very high23 Ų2332.7 Ų32.715%0.14916%0.16CC..THydrogen-bonded Turncis-87.3-1.616.335.6-39.2000116.2R58 N150 N151P56-R58 PolarHBondContact O-N 2.86Å; P56-N150 WeakPolarHBondContact CG-O 3.3Å; P56-N151 WeakPolarHBondContact CB-OD1 3.46Å; P56-N151 WeakPolarHBondContact CG-OD1 3.34Å
57D85.3Confident92.6Very high18 Ų1842 Ų4210%0.09620%0.195CC..  trans-68.798.2-178.1-169.6-2.2000111.9Y53 L54 S59 G62 P194 R266Y53-D57 WeakPolarHBondContact CD1-O 3.45Å; L54-D57 PolarHBondContact O-N 3.24Å; D57-S59 WeakPolarHBondContact OD1-CA 3.37Å; D57-S59 WeakPolarHBondContact OD1-CB 3.47Å; D57-S59 PolarHBondContact OD1-N 2.86Å; D57-S59 PolarHBondContact OD1-OG 3.15Å; D57-S59 PolarHBondContact OD2-OG 2.76Å; D57-G62 WeakPolarHBondContact OD2-CA 3.48Å; D57-P194 HydrophobicContact CB-CB 3.7Å; D57-R266 IonicContact OD1-NH1 2.74Å; D57-R266 IonicContact OD2-NH1 2.9Å; D57-R266 PolarHBondContact OD2-NH1 2.98Å
58R86.4Confident92.6Very high103 Ų10343 Ų4339%0.38920%0.202SC..  trans-97.910.1171.5-61.4-172.6-169.3-110.514.4112.9L55 P56 E144L55-R58 HydrophobicContact CD2-CG 3.55Å; P56-R58 PolarHBondContact O-N 2.86Å; R58-E144 IonicContact CZ-OE2 3Å; R58-E144 IonicContact NH2-OE2 2.79Å; R58-E144 PolarHBondContact NH2-OE2 3.4Å
59S80.9Confident92.7Very high28 Ų2846.1 Ų46.120%0.19622%0.217CC..SBendtrans-66.2160.6-179.574.20000111.6D57 Q61 G62 K63 R266D57-S59 WeakPolarHBondContact OD1-CA 3.37Å; D57-S59 WeakPolarHBondContact OD1-CB 3.47Å; D57-S59 PolarHBondContact OD1-N 2.86Å; D57-S59 PolarHBondContact OD1-OG 3.15Å; D57-S59 PolarHBondContact OD2-OG 2.76Å; S59-Q61 PolarHBondContact O-N 2.99Å; S59-G62 PolarHBondContact O-N 3.28Å; S59-G62 VanDerWaalsContact O-N 3.16Å; S59-G62 PolarHBondContact OG-N 3.17Å; S59-K63 PolarHBondContact O-N 3.23Å; S59-R266 PolarHBondContact OG-NH1 2.92Å
60S83.1Confident92.6Very high88 Ų8854 Ų5462%0.61525%0.251SS*.THydrogen-bonded Turntrans-58.1-30.6175.155.70000112.8
61Q81.6Confident92.5Very high59 Ų5959.1 Ų59.128%0.27628%0.279SS..THydrogen-bonded Turntrans-76.6-32.6178.4-65.7-178.2-24.300112.8S59 K63 R64S59-Q61 PolarHBondContact O-N 2.99Å; Q61-K63 VanDerWaalsContact C-N 3.27Å; Q61-K63 PolarHBondContact O-N 3.23Å; Q61-R64 PolarHBondContact O-NH1 2.95Å
62G86.3Confident92.5Very high5 Ų560.4 Ų60.45%0.05229%0.288CS..THydrogen-bonded Turntrans-75.1-12.4174.800000114D57 S59 Y83D57-G62 WeakPolarHBondContact OD2-CA 3.48Å; S59-G62 PolarHBondContact O-N 3.28Å; S59-G62 VanDerWaalsContact O-N 3.16Å; S59-G62 PolarHBondContact OG-N 3.17Å; G62-Y83 WeakPolarHBondContact O-CE1 3.23Å; G62-Y83 PolarHBondContact O-OH 3.15Å
63K94.1Very high92.5Very high66 Ų6662.3 Ų62.329%0.28730%0.298SS..  trans-75.8139.7-179.5-172.717662.8-143.80112.1K51 Y53 S59 Q61K51-K63 HydrophobicContact CD-CD 4.17Å; Y53-K63 HydrophobicContact CD1-CB 4.2Å; Y53-K63 HydrophobicContact CE1-CB 3.51Å; Y53-K63 HydrophobicContact CE1-CD 4.42Å; Y53-K63 HydrophobicContact CE1-CG 3.95Å; Y53-K63 HydrophobicContact CE2-CG 4.41Å; Y53-K63 WeakPolarHBondContact OH-CD 3.33Å; S59-K63 PolarHBondContact O-N 3.23Å; Q61-K63 VanDerWaalsContact C-N 3.27Å; Q61-K63 PolarHBondContact O-N 3.23Å
64R96.6Very high92.6Very high45 Ų4564.2 Ų64.217%0.1731%0.311CS..EExtended strand (participates in β ladder)trans-120.4155.6157-55.8-67.5178-82.8-13.9109.5K51 T52 Q61 L81 K82 Y83K51-R64 VanDerWaalsContact CA-O 3.32Å; K51-R64 WeakPolarHBondContact CA-O 3.49Å; T52-R64 PolarHBondContact N-O 2.92Å; T52-R64 PolarHBondContact O-N 3.48Å; T52-R64 VanDerWaalsContact O-N 3.1Å; T52-R64 WeakPolarHBondContact OG1-CB 3.47Å; Q61-R64 PolarHBondContact O-NH1 2.95Å; R64-L81 HydrophobicContact CB-CB 3.86Å; R64-L81 HydrophobicContact CB-CD1 4.03Å; R64-L81 HydrophobicContact CB-CD2 4.2Å; R64-L81 HydrophobicContact CB-CG 4.25Å; R64-L81 HydrophobicContact CG-CB 4.39Å; R64-K82 PolarHBondContact NE-O 3.43Å; R64-K82 PolarHBondContact NH2-O 3.38Å; R64-Y83 HydrophobicContact CG-CE1 4.22Å; R64-Y83 HydrophobicContact CG-CE2 3.95Å
65K97.5Very high92.8Very high132 Ų13263.6 Ų63.657%0.57431%0.307SS*.EExtended strand (participates in β ladder)trans-149.1151.1177.866173.2-173.6169.90111.1V50 K51 L81V50-K65 CarbonylContact O-C 3.59Å; V50-K65 WeakPolarHBondContact O-CA 3.44Å; V50-K65 WeakPolarHBondContact O-CB 3.25Å; K51-K65 HydrophobicContact CG-CB 4.25Å; K65-L81 WeakPolarHBondContact O-CD2 3.17Å
66T98.6Very high93.2Very high5 Ų567 Ų673%0.03133%0.329CS..  trans-79.4175.5168.8650000110.9I30 V50 F77 E79 L81I30-T66 HydrophobicContact CB-CG2 4.1Å; I30-T66 HydrophobicContact CG1-CG2 4.04Å; I30-T66 HydrophobicContact CG2-CG2 4.14Å; V50-T66 HydrophobicContact CB-CG2 3.92Å; V50-T66 PolarHBondContact N-OG1 3.11Å; V50-T66 PolarHBondContact O-N 2.84Å; T66-F77 HydrophobicContact CG2-CB 4.44Å; T66-F77 HydrophobicContact CG2-CD1 4.21Å; T66-F77 HydrophobicContact CG2-CG 4.36Å; T66-F77 WeakPolarHBondContact OG1-CD1 3.39Å; T66-F77 WeakPolarHBondContact OG1-CE1 3.33Å; T66-E79 WeakPolarHBondContact CA-OE2 3.38Å; T66-E79 WeakPolarHBondContact CB-OE1 3.25Å; T66-E79 HydrophobicContact CG2-CB 4.06Å; T66-L81 HydrophobicContact CG2-CD1 4.19Å; T66-L81 HydrophobicContact CG2-CD2 4.34Å; T66-L81 HydrophobicContact CG2-CG 4.47Å
67R98.1Very high93.7Very high195 Ų19566.5 Ų66.574%0.73632%0.324SS*.PPolyproline II helixtrans-65.8161.9160.8-61.9174.3-178.1-117.40.6110.3Y49 E79Y49-R67 WeakPolarHBondContact CB-O 3.34Å; R67-E79 VanDerWaalsContact CB-OE1 3.29Å; R67-E79 WeakPolarHBondContact CB-OE1 3.47Å; R67-E79 PolarHBondContact N-OE1 2.81Å; R67-E79 PolarHBondContact N-OE2 2.88Å; R67-E79 VanDerWaalsContact N-OE2 3.13Å
68V98.1Very high94.2Very high54 Ų5472.6 Ų72.633%0.32735%0.352SS..PPolyproline II helixtrans-89.9121.6176.1-179.60000108.2N47 Y49 L102N47-V68 HydrophobicContact CB-CG1 3.76Å; Y49-V68 HydrophobicContact CD1-CG2 4.1Å; Y49-V68 HydrophobicContact CG-CG2 4.06Å; V68-L102 HydrophobicContact CG1-CB 4.21Å; V68-L102 HydrophobicContact CG1-CD2 4.49Å; V68-L102 HydrophobicContact CG2-CB 4.4Å; V68-L102 HydrophobicContact CG2-CD2 3.94Å
69Q98.3Very high94.8Very high67 Ų6769.7 Ų69.731%0.31334%0.343SS..PPolyproline II helixtrans-83.6140.6167.5-66.9-60-10.400109.1N47 P48 T72 P75 T76 F77N47-Q69 CarbonylContact C-O 3.54Å; N47-Q69 WeakPolarHBondContact CA-O 3.34Å; P48-Q69 VanDerWaalsContact CD-O 3.22Å; P48-Q69 WeakPolarHBondContact CD-O 3.38Å; P48-Q69 HydrophobicContact CG-CB 4.26Å; P48-Q69 PolarHBondContact O-N 3.36Å; Q69-T72 HydrophobicContact CB-CG2 3.93Å; Q69-P75 HydrophobicContact CB-CB 3.73Å; Q69-P75 HydrophobicContact CG-CB 3.79Å; Q69-T76 PolarHBondContact NE2-O 2.86Å; Q69-F77 HydrophobicContact CB-CE1 4.38Å; Q69-F77 HydrophobicContact CG-CD1 3.92Å; Q69-F77 HydrophobicContact CG-CE1 3.74Å; Q69-F77 HydrophobicContact CG-CZ 4.41Å
70K96.9Very high95.5Very high175 Ų17571.4 Ų71.476%0.76135%0.352SS*.PPolyproline II helixtrans-100.7135.8-172.4-67.1-177.5-178.6176.80110.9T72K70-T72 PolarHBondContact O-N 3.26Å
71N96.5Very high96.2Very high107 Ų10767.9 Ų67.957%0.57233%0.326SS*.SBendtrans46.752.6169.9-159.155.3000115.2C46 N47C46-N71 CarbonylContact O-C 3.41Å; C46-N71 WeakPolarHBondContact O-CA 3.28Å; C46-N71 PolarHBondContact O-N 3.03Å; N47-N71 PolarHBondContact OD1-N 2.89Å
72T98.1Very high96.9Very high41 Ų4170 Ų7025%0.25233%0.334SS..  trans-144.1145.6179.2179.90000111.4C46 P48 Q69 K70 D74 P75C46-T72 WeakPolarHBondContact CB-O 3.35Å; C46-T72 PolarHBondContact O-N 3.34Å; P48-T72 WeakPolarHBondContact CD-O 3.34Å; P48-T72 HydrophobicContact CG-CG2 4.11Å; Q69-T72 HydrophobicContact CB-CG2 3.93Å; K70-T72 PolarHBondContact O-N 3.26Å; T72-D74 PolarHBondContact OG1-N 2.85Å; T72-D74 PolarHBondContact OG1-O 2.95Å; T72-P75 HydrophobicContact CG2-CB 3.82Å
73L98Very high97.2Very high39 Ų3970.2 Ų70.220%0.20433%0.334CS..SBendtrans-95.8-10.6170.2-56.6-175.1000112.5L36 Y38 C46 P75L36-L73 HydrophobicContact CB-CB 4.46Å; L36-L73 WeakPolarHBondContact CB-O 3.37Å; L36-L73 VanDerWaalsContact CG-O 3.25Å; L36-L73 WeakPolarHBondContact CG-O 3.45Å; L36-L73 PolarHBondContact N-O 2.79Å; L36-L73 VanDerWaalsContact N-O 3.13Å; L36-L73 WeakPolarHBondContact O-CD2 3.39Å; Y38-L73 HydrophobicContact CD1-CD2 3.82Å; Y38-L73 HydrophobicContact CE1-CD1 3.99Å; Y38-L73 HydrophobicContact CE1-CD2 3.91Å; Y38-L73 HydrophobicContact CE1-CG 4.23Å; Y38-L73 HydrophobicContact CE2-CD1 4.22Å; Y38-L73 HydrophobicContact CG-CD2 4.38Å; C46-L73 HydrophobicContact CB-CD2 3.48Å; C46-L73 VanDerWaalsContact CB-CD2 3.48Å; L73-P75 WeakPolarHBondContact O-CD 3.48Å
74D98.3Very high97.1Very high80 Ų8070.3 Ų70.343%0.42834%0.336SS..SBendtrans-127.863.2-176.4-50.9-80.2000109.3C33 K34 N35 T72C33-D74 CarbonylContact O-C 3.42Å; C33-D74 VanDerWaalsContact O-CA 3.28Å; C33-D74 WeakPolarHBondContact O-CA 3.31Å; K34-D74 WeakPolarHBondContact CA-OD1 3.48Å; K34-D74 WeakPolarHBondContact CB-OD1 3.34Å; N35-D74 PolarHBondContact N-OD1 2.88Å; T72-D74 PolarHBondContact OG1-N 2.85Å; T72-D74 PolarHBondContact OG1-O 2.95Å
75P98.3Very high96.7Very high1 Ų168.4 Ų68.41%0.00633%0.329CS..  trans-72.5132.1-175.630-38.3000112.8T32 C33 L36 P48 Q69 T72 L73 F77T32-P75 CarbonylContact C-O 3.29Å; T32-P75 WeakPolarHBondContact CA-O 3.47Å; T32-P75 WeakPolarHBondContact CB-O 3.36Å; T32-P75 PolarHBondContact OG1-O 2.85Å; C33-P75 HydrophobicContact CB-CG 3.78Å; C33-P75 PolarHBondContact N-O 2.88Å; L36-P75 HydrophobicContact CD1-CG 3.82Å; P48-P75 HydrophobicContact CB-CB 4.47Å; P48-P75 HydrophobicContact CB-CG 3.98Å; P48-P75 HydrophobicContact CG-CB 3.56Å; P48-P75 HydrophobicContact CG-CG 3.45Å; P48-P75 VanDerWaalsContact CG-CG 3.45Å; Q69-P75 HydrophobicContact CB-CB 3.73Å; Q69-P75 HydrophobicContact CG-CB 3.79Å; T72-P75 HydrophobicContact CG2-CB 3.82Å; L73-P75 WeakPolarHBondContact O-CD 3.48Å; P75-F77 HydrophobicContact CB-CD2 4.42Å; P75-F77 HydrophobicContact CB-CE1 4.32Å; P75-F77 HydrophobicContact CB-CE2 3.74Å; P75-F77 HydrophobicContact CB-CZ 3.68Å; P75-F77 HydrophobicContact CG-CD2 4.48Å; P75-F77 HydrophobicContact CG-CE2 3.53Å; P75-F77 HydrophobicContact CG-CZ 3.7Å
76T98.3Very high96.2Very high76 Ų7666.5 Ų66.547%0.46633%0.325SS..EExtended strand (participates in β ladder)trans-93.4122.5164.2-52.50000109.9Q69 E78Q69-T76 PolarHBondContact NE2-O 2.86Å; T76-E78 HydrophobicContact CG2-CG 3.78Å
77F98.1Very high95.5Very high13 Ų1368.9 Ų68.96%0.05734%0.34CS..EExtended strand (participates in β ladder)trans-102.1-52.8-179.5-64.2-76.8000112.1I30 K31 P48 V50 T66 Q69 P75 E79I30-F77 HydrophobicContact CB-CB 4.47Å; I30-F77 HydrophobicContact CG2-CB 3.95Å; I30-F77 HydrophobicContact CG2-CD2 3.68Å; I30-F77 HydrophobicContact CG2-CE2 4.47Å; I30-F77 HydrophobicContact CG2-CG 3.99Å; K31-F77 PolarHBondContact O-N 3.29Å; P48-F77 HydrophobicContact CB-CZ 4.37Å; V50-F77 HydrophobicContact CG2-CD2 4.2Å; V50-F77 HydrophobicContact CG2-CE2 3.72Å; V50-F77 HydrophobicContact CG2-CZ 3.94Å; T66-F77 HydrophobicContact CG2-CB 4.44Å; T66-F77 HydrophobicContact CG2-CD1 4.21Å; T66-F77 HydrophobicContact CG2-CG 4.36Å; T66-F77 WeakPolarHBondContact OG1-CD1 3.39Å; T66-F77 WeakPolarHBondContact OG1-CE1 3.33Å; Q69-F77 HydrophobicContact CB-CE1 4.38Å; Q69-F77 HydrophobicContact CG-CD1 3.92Å; Q69-F77 HydrophobicContact CG-CE1 3.74Å; Q69-F77 HydrophobicContact CG-CZ 4.41Å; P75-F77 HydrophobicContact CB-CD2 4.42Å; P75-F77 HydrophobicContact CB-CE1 4.32Å; P75-F77 HydrophobicContact CB-CE2 3.74Å; P75-F77 HydrophobicContact CB-CZ 3.68Å; P75-F77 HydrophobicContact CG-CD2 4.48Å; P75-F77 HydrophobicContact CG-CE2 3.53Å; P75-F77 HydrophobicContact CG-CZ 3.7Å; F77-E79 PolarHBondContact O-N 3.47Å
78E96.8Very high94.9Very high146 Ų14661.8 Ų61.868%0.68233%0.328SS*.EExtended strand (participates in β ladder)trans51.641.1-174-60.6-172.514200113.6I30 K31 T76I30-E78 WeakPolarHBondContact O-CA 3.25Å; I30-E78 PolarHBondContact O-N 3.04Å; I30-E78 VanDerWaalsContact O-N 3.09Å; K31-E78 PolarHBondContact O-N 3.01Å; T76-E78 HydrophobicContact CG2-CG 3.78Å
79E98.1Very high94.2Very high42 Ų4259.9 Ų59.920%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-114.9135-177.1-75.2-178.6-108.100111.6I30 T66 R67 F77I30-E79 PolarHBondContact N-O 2.92Å; I30-E79 PolarHBondContact O-N 2.85Å; I30-E79 VanDerWaalsContact O-N 3.1Å; T66-E79 WeakPolarHBondContact CA-OE2 3.38Å; T66-E79 WeakPolarHBondContact CB-OE1 3.25Å; T66-E79 HydrophobicContact CG2-CB 4.06Å; R67-E79 VanDerWaalsContact CB-OE1 3.29Å; R67-E79 WeakPolarHBondContact CB-OE1 3.47Å; R67-E79 PolarHBondContact N-OE1 2.81Å; R67-E79 PolarHBondContact N-OE2 2.88Å; R67-E79 VanDerWaalsContact N-OE2 3.13Å; F77-E79 PolarHBondContact O-N 3.47Å
80T96.8Very high93.8Very high64 Ų6456.8 Ų56.839%0.39330%0.301SS..EExtended strand (participates in β ladder)trans-100.2116174.4-61.10000111E27 I28 K82E27-T80 HydrophobicContact CB-CG2 3.82Å; E27-T80 HydrophobicContact CG-CG2 4.44Å; I28-T80 WeakPolarHBondContact O-CA 3.44Å; T80-K82 HydrophobicContact CG2-CG 4.05Å
81L97.1Very high93.2Very high13 Ų1353.7 Ų53.77%0.06829%0.291CS..EExtended strand (participates in β ladder)trans-94.8126.6175.7-54.6-178.2000109.7I28 I30 T52 R64 K65 T66I28-L81 HydrophobicContact CB-CB 4.49Å; I28-L81 WeakPolarHBondContact CD1-O 3.49Å; I28-L81 PolarHBondContact N-O 2.86Å; I28-L81 PolarHBondContact O-N 2.82Å; I30-L81 HydrophobicContact CG1-CD1 4.06Å; I30-L81 HydrophobicContact CG1-CG 4.32Å; T52-L81 HydrophobicContact CG2-CD1 3.72Å; R64-L81 HydrophobicContact CB-CB 3.86Å; R64-L81 HydrophobicContact CB-CD1 4.03Å; R64-L81 HydrophobicContact CB-CD2 4.2Å; R64-L81 HydrophobicContact CB-CG 4.25Å; R64-L81 HydrophobicContact CG-CB 4.39Å; K65-L81 WeakPolarHBondContact O-CD2 3.17Å; T66-L81 HydrophobicContact CG2-CD1 4.19Å; T66-L81 HydrophobicContact CG2-CD2 4.34Å; T66-L81 HydrophobicContact CG2-CG 4.47Å
82K95.4Very high92.6Very high103 Ų10351.6 Ų51.645%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-114.5138.8-172.7-55-166.2-177.1-158.80113.7L26 E27 R64 T80L26-K82 WeakPolarHBondContact O-CA 3.26Å; E27-K82 HydrophobicContact CG-CD 4.14Å; E27-K82 HydrophobicContact CG-CG 4.1Å; E27-K82 WeakPolarHBondContact OE1-CE 3.12Å; E27-K82 IonicContact OE1-NZ 3.08Å; E27-K82 PolarHBondContact OE1-NZ 2.76Å; E27-K82 IonicContact OE2-NZ 3.76Å; R64-K82 PolarHBondContact NE-O 3.43Å; R64-K82 PolarHBondContact NH2-O 3.38Å; T80-K82 HydrophobicContact CG2-CG 4.05Å
83Y94Very high92.2Very high10 Ų1050 Ų504%0.03927%0.272CS..EExtended strand (participates in β ladder)trans-118.4130170.5-67.8-94.5000110S25 L26 I28 T52 Y53 L54 G62 R64 V85S25-Y83 CarbonylContact C-O 3.57Å; S25-Y83 WeakPolarHBondContact CA-O 3.46Å; S25-Y83 WeakPolarHBondContact CB-O 3.37Å; L26-Y83 PolarHBondContact N-O 2.75Å; L26-Y83 PolarHBondContact O-N 2.74Å; I28-Y83 HydrophobicContact CD1-CD2 3.44Å; I28-Y83 VanDerWaalsContact CD1-CD2 3.44Å; I28-Y83 HydrophobicContact CD1-CE2 3.63Å; T52-Y83 WeakPolarHBondContact CB-OH 3.49Å; T52-Y83 PolarHBondContact O-OH 3.13Å; T52-Y83 WeakPolarHBondContact OG1-CE2 3.11Å; T52-Y83 PolarHBondContact OG1-OH 2.77Å; Y53-Y83 WeakPolarHBondContact CA-OH 3.34Å; Y53-Y83 PolarHBondContact N-OH 3.39Å; L54-Y83 HydrophobicContact CB-CD1 3.86Å; L54-Y83 HydrophobicContact CB-CE1 3.81Å; L54-Y83 HydrophobicContact CB-CG 4.47Å; L54-Y83 HydrophobicContact CD2-CD1 4.46Å; G62-Y83 WeakPolarHBondContact O-CE1 3.23Å; G62-Y83 PolarHBondContact O-OH 3.15Å; R64-Y83 HydrophobicContact CG-CE1 4.22Å; R64-Y83 HydrophobicContact CG-CE2 3.95Å; Y83-V85 PolarHBondContact O-N 3.02Å
84Q91.3Very high92Very high69 Ų6951.5 Ų51.532%0.32227%0.274SS..EExtended strand (participates in β ladder)trans-82110167.6-68.7-65-38.800108S23 S197S23-Q84 PolarHBondContact O-OE1 3.08Å; Q84-S197 WeakPolarHBondContact CG-O 3.12Å
85V88.9Confident91.8Very high5 Ų547.7 Ų47.73%0.0325%0.254CS..  trans-152.5129.9-174.158.50000109.7Y19 C24 L26 L54 Y83 Q89 L90Y19-V85 HydrophobicContact CE2-CG1 4.12Å; Y19-V85 VanDerWaalsContact CE2-O 3.25Å; Y19-V85 WeakPolarHBondContact CE2-O 3.31Å; Y19-V85 PolarHBondContact OH-O 3.35Å; C24-V85 CarbonylContact C-O 3.59Å; C24-V85 CarbonylContact O-C 3.59Å; C24-V85 PolarHBondContact O-N 3.1Å; L26-V85 HydrophobicContact CB-CG1 3.73Å; L54-V85 HydrophobicContact CD2-CB 4.14Å; L54-V85 HydrophobicContact CD2-CG1 4.26Å; L54-V85 HydrophobicContact CD2-CG2 3.97Å; Y83-V85 PolarHBondContact O-N 3.02Å; V85-Q89 HydrophobicContact CG2-CB 3.79Å; V85-L90 HydrophobicContact CG1-CD2 3.66Å; V85-L90 HydrophobicContact CG2-CD2 4.15Å
86D86Confident91.8Very high91 Ų9148 Ų4849%0.48726%0.256SS..  trans-64.6142.5176.1-177.7-87.2000111.1G88 Q89D86-G88 PolarHBondContact O-N 2.61Å; D86-G88 WeakPolarHBondContact OD1-CA 3.31Å; D86-G88 PolarHBondContact OD1-N 3.5Å; D86-Q89 HydrophobicContact CB-CG 4.28Å; D86-Q89 WeakPolarHBondContact O-CB 3.42Å; D86-Q89 PolarHBondContact O-N 2.97Å
87P85.3Confident91.7Very high55 Ų5544.5 Ų44.536%0.35723%0.234SC..Hα-helixtrans-57.1-35.1-177.4-17.126.7000112.8Y19 Q89 L90Y19-P87 HydrophobicContact CE1-CB 4.2Å; Y19-P87 HydrophobicContact CE1-CG 3.68Å; Y19-P87 WeakPolarHBondContact OH-CD 3.07Å; Y19-P87 WeakPolarHBondContact OH-CG 3.42Å; P87-Q89 PolarHBondContact O-N 3.23Å; P87-L90 WeakPolarHBondContact O-CB 3.36Å; P87-L90 PolarHBondContact O-N 2.64Å
88G84.3Confident91.7Very high47 Ų4743.9 Ų43.949%0.48523%0.231SC..Hα-helixtrans-66.2-22.8179.700000113.4D86D86-G88 PolarHBondContact O-N 2.61Å; D86-G88 WeakPolarHBondContact OD1-CA 3.31Å; D86-G88 PolarHBondContact OD1-N 3.5Å
89Q84.4Confident91.7Very high13 Ų1336.9 Ų36.96%0.06120%0.198CC..Hα-helixtrans-79.4-28.6176.4-63-168.216.500112.8V85 D86 P87 M91 T92 R93 L193V85-Q89 HydrophobicContact CG2-CB 3.79Å; D86-Q89 HydrophobicContact CB-CG 4.28Å; D86-Q89 WeakPolarHBondContact O-CB 3.42Å; D86-Q89 PolarHBondContact O-N 2.97Å; P87-Q89 PolarHBondContact O-N 3.23Å; Q89-M91 PolarHBondContact O-N 3.02Å; Q89-M91 VanDerWaalsContact O-N 3.13Å; Q89-T92 PolarHBondContact O-N 2.98Å; Q89-T92 PolarHBondContact O-OG1 2.82Å; Q89-R93 WeakPolarHBondContact O-CG 3.46Å; Q89-R93 VanDerWaalsContact OE1-NH2 3.12Å; Q89-L193 PolarHBondContact OE1-O 2.75Å
90L88.3Confident91.7Very high3 Ų335.6 Ų35.62%0.01619%0.192CC..Hα-helixtrans-54.9-37.2-173.5-64.7172000112.6Y19 L26 V85 P87 T92 R93 L118 F123Y19-L90 HydrophobicContact CD2-CD1 3.54Å; Y19-L90 HydrophobicContact CD2-CD2 4.44Å; Y19-L90 HydrophobicContact CE2-CD1 3.77Å; Y19-L90 HydrophobicContact CE2-CD2 4.49Å; Y19-L90 HydrophobicContact CE2-CG 4.45Å; Y19-L90 HydrophobicContact CG-CD1 4.04Å; L26-L90 HydrophobicContact CB-CD2 4.42Å; L26-L90 HydrophobicContact CD1-CD2 4.21Å; L26-L90 HydrophobicContact CD2-CD2 4.26Å; V85-L90 HydrophobicContact CG1-CD2 3.66Å; V85-L90 HydrophobicContact CG2-CD2 4.15Å; P87-L90 WeakPolarHBondContact O-CB 3.36Å; P87-L90 PolarHBondContact O-N 2.64Å; L90-T92 PolarHBondContact O-N 3.33Å; L90-R93 PolarHBondContact O-N 3.43Å; L90-L118 HydrophobicContact CD2-CD1 3.96Å; L90-L118 WeakPolarHBondContact O-CB 3.49Å; L90-F123 HydrophobicContact CB-CE2 4.33Å; L90-F123 HydrophobicContact CD1-CD2 4.22Å; L90-F123 HydrophobicContact CD1-CE2 3.75Å; L90-F123 HydrophobicContact CD1-CZ 3.96Å
91M85.2Confident91.7Very high110 Ų11032.5 Ų32.554%0.54217%0.173SC..THydrogen-bonded Turntrans-62.6-15.3-179.6-57.3-57.9164.700114Q89 A119Q89-M91 PolarHBondContact O-N 3.02Å; Q89-M91 VanDerWaalsContact O-N 3.13Å; M91-A119 WeakPolarHBondContact O-CB 3.09Å
92T84.2Confident91.7Very high63 Ų6334.7 Ų34.739%0.38718%0.184SC..THydrogen-bonded Turntrans-107.63.4179.565.70000112.7Q89 L90Q89-T92 PolarHBondContact O-N 2.98Å; Q89-T92 PolarHBondContact O-OG1 2.82Å; L90-T92 PolarHBondContact O-N 3.33Å
93R89.7Confident91.5Very high8 Ų830.3 Ų30.33%0.0317%0.168CC..  trans-110.7154.7-171.8-59.9-66.5-174.5-115.63112.2L54 L55 Q89 L90 L118 N192 L193L54-R93 HydrophobicContact CD1-CB 3.6Å; L54-R93 HydrophobicContact CD1-CG 4.13Å; L54-R93 HydrophobicContact CD2-CG 4.13Å; L54-R93 HydrophobicContact CG-CB 3.94Å; L54-R93 HydrophobicContact CG-CG 3.96Å; L55-R93 WeakPolarHBondContact O-CA 3.49Å; L55-R93 WeakPolarHBondContact O-CD 3.44Å; Q89-R93 WeakPolarHBondContact O-CG 3.46Å; Q89-R93 VanDerWaalsContact OE1-NH2 3.12Å; L90-R93 PolarHBondContact O-N 3.43Å; R93-L118 HydrophobicContact CB-CD1 4.17Å; R93-L118 PolarHBondContact O-N 2.83Å; R93-N192 PolarHBondContact NH1-O 2.55Å; R93-N192 VanDerWaalsContact NH2-C 3.3Å; R93-N192 PolarHBondContact NH2-O 3.21Å; R93-L193 PolarHBondContact NH2-O 2.97Å
94R93.1Very high91.1Very high70 Ų7033.7 Ų33.726%0.26419%0.19SC..EExtended strand (participates in β ladder)trans-119.8132.8167.1-55.5-176.6-72.6145.80.6108.8L55 I115 L116 P117 E144L55-R94 HydrophobicContact CB-CB 4.19Å; L55-R94 WeakPolarHBondContact CB-O 3.42Å; L55-R94 HydrophobicContact CD1-CB 4.37Å; L55-R94 PolarHBondContact N-O 3.06Å; L55-R94 PolarHBondContact O-N 3.28Å; R94-I115 HydrophobicContact CB-CG2 4.1Å; R94-L116 CarbonylContact C-O 3.53Å; R94-L116 WeakPolarHBondContact CA-O 3.43Å; R94-P117 HydrophobicContact CG-CB 4.46Å; R94-E144 IonicContact CZ-OE1 2.72Å; R94-E144 IonicContact NH1-OE1 2.73Å; R94-E144 PolarHBondContact NH1-OE1 2.86Å; R94-E144 IonicContact NH2-OE1 2.65Å; R94-E144 PolarHBondContact NH2-OE1 3.47Å
95L95.2Very high90.9Very high0 Ų039 Ų390%022%0.22CC..EExtended strand (participates in β ladder)trans-85.2119.9170.7177.666.5000108.5F15 I17 I28 V97 I115 L116 L118F15-L95 HydrophobicContact CE2-CD2 4.29Å; I17-L95 HydrophobicContact CD1-CD2 3.63Å; I17-L95 HydrophobicContact CG1-CD2 4.08Å; I28-L95 HydrophobicContact CD1-CD1 4.23Å; I28-L95 HydrophobicContact CG1-CD1 3.94Å; I28-L95 HydrophobicContact CG1-CD2 3.7Å; I28-L95 HydrophobicContact CG1-CG 4.5Å; I28-L95 HydrophobicContact CG2-CD2 4.34Å; L95-V97 HydrophobicContact CD1-CG2 4.38Å; L95-V97 HydrophobicContact CD2-CG2 3.83Å; L95-V97 HydrophobicContact CG-CG2 3.79Å; L95-I115 CarbonylContact O-C 3.56Å; L95-I115 WeakPolarHBondContact O-CA 3.49Å; L95-L116 PolarHBondContact N-O 3.35Å; L95-L116 PolarHBondContact O-N 2.99Å; L95-L118 HydrophobicContact CB-CD1 4.48Å; L95-L118 HydrophobicContact CB-CD2 3.98Å; L95-L118 HydrophobicContact CB-CG 4.3Å
96Q96.5Very high90.7Very high8 Ų841.9 Ų41.94%0.03724%0.244CC..EExtended strand (participates in β ladder)trans-100.8121.7169180-177.314.400108.5T52 Y53 L55 E113 I115T52-Q96 CarbonylContact C-O 3.49Å; T52-Q96 WeakPolarHBondContact CA-O 3.42Å; Y53-Q96 PolarHBondContact N-O 3.17Å; Y53-Q96 PolarHBondContact O-N 3.18Å; L55-Q96 HydrophobicContact CD1-CB 4.03Å; L55-Q96 HydrophobicContact CG-CB 4.1Å; Q96-E113 PolarHBondContact NE2-OE2 3.22Å; Q96-I115 HydrophobicContact CB-CG1 4.3Å; Q96-I115 HydrophobicContact CG-CD1 4.49Å; Q96-I115 HydrophobicContact CG-CG1 4.06Å
97V97.6Very high90.8Very high1 Ų143.1 Ų43.11%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-115.7120174.4-172.20000107.6I13 F15 I30 V50 T52 L95 E113 V114I13-V97 HydrophobicContact CD1-CG1 3.78Å; F15-V97 HydrophobicContact CE1-CB 4.39Å; F15-V97 HydrophobicContact CE1-CG1 4.4Å; F15-V97 HydrophobicContact CE1-CG2 4.24Å; F15-V97 HydrophobicContact CE2-CG2 4.01Å; F15-V97 HydrophobicContact CZ-CB 4.38Å; F15-V97 HydrophobicContact CZ-CG2 3.81Å; I30-V97 HydrophobicContact CD1-CG1 4.06Å; V50-V97 HydrophobicContact CG1-CG1 3.55Å; T52-V97 HydrophobicContact CG2-CB 4.37Å; T52-V97 HydrophobicContact CG2-CG1 4.09Å; T52-V97 HydrophobicContact CG2-CG2 4.06Å; L95-V97 HydrophobicContact CD1-CG2 4.38Å; L95-V97 HydrophobicContact CD2-CG2 3.83Å; L95-V97 HydrophobicContact CG-CG2 3.79Å; V97-E113 CarbonylContact O-C 3.58Å; V97-E113 WeakPolarHBondContact O-CA 3.49Å; V97-E113 WeakPolarHBondContact O-CB 3.36Å; V97-V114 PolarHBondContact N-O 3.29Å; V97-V114 PolarHBondContact O-N 3.42Å
98S97.2Very high91.2Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-131.4138.4-173.154.80000111.4V50 K51 W100 G112V50-S98 CarbonylContact C-O 3.57Å; V50-S98 WeakPolarHBondContact CA-O 3.37Å; K51-S98 PolarHBondContact N-O 2.9Å; K51-S98 PolarHBondContact O-N 2.93Å; K51-S98 PolarHBondContact O-OG 2.96Å; K51-S98 VanDerWaalsContact O-OG 3.06Å; S98-W100 PolarHBondContact OG-NE1 3.25Å; S98-G112 CarbonylContact C-O 3.54Å; S98-G112 WeakPolarHBondContact CA-O 3.38Å
99V98Very high91.6Very high0 Ų044 Ų440%022%0.224CC..EExtended strand (participates in β ladder)trans-102137.1179.6-1700000109I13 L36 P48 V50 L111 G112 L136I13-V99 HydrophobicContact CD1-CG2 4.04Å; L36-V99 HydrophobicContact CD1-CG1 3.97Å; L36-V99 HydrophobicContact CD2-CG1 4.12Å; P48-V99 HydrophobicContact CB-CG1 4.33Å; V50-V99 HydrophobicContact CG2-CG2 4.32Å; V99-L111 HydrophobicContact CB-CB 4.18Å; V99-L111 HydrophobicContact CG1-CB 4.14Å; V99-L111 HydrophobicContact CG1-CD1 4.15Å; V99-L111 WeakPolarHBondContact O-CB 3.44Å; V99-L111 PolarHBondContact O-N 2.82Å; V99-G112 PolarHBondContact N-O 2.82Å; V99-L136 HydrophobicContact CB-CD1 4.37Å; V99-L136 HydrophobicContact CB-CD2 4.49Å; V99-L136 HydrophobicContact CG2-CD1 3.96Å; V99-L136 HydrophobicContact CG2-CD2 3.65Å; V99-L136 HydrophobicContact CG2-CG 4.49Å
100W97.5Very high92.1Very high14 Ų1443.5 Ų43.55%0.05322%0.222CC..EExtended strand (participates in β ladder)trans-137.5148.1-174.2-61.978.2000110.5F4 P48 Y49 K51 S98 R108 V109 F110F4-W100 HydrophobicContact CB-CZ3 4.41Å; F4-W100 HydrophobicContact CD1-CH2 4.37Å; F4-W100 AromaticContact CD1-CZ3 3.69Å; F4-W100 HydrophobicContact CD1-CZ3 3.69Å; F4-W100 HydrophobicContact CD2-CZ3 4.5Å; F4-W100 HydrophobicContact CE1-CH2 4.48Å; F4-W100 HydrophobicContact CE1-CZ3 4.04Å; F4-W100 HydrophobicContact CG-CH2 4.39Å; F4-W100 AromaticContact CG-CZ3 3.94Å; F4-W100 HydrophobicContact CG-CZ3 3.94Å; P48-W100 CarbonylContact C-O 3.46Å; P48-W100 VanDerWaalsContact CA-O 3.23Å; P48-W100 WeakPolarHBondContact CA-O 3.23Å; Y49-W100 HydrophobicContact CD1-CB 3.89Å; Y49-W100 WeakPolarHBondContact CD1-O 3.49Å; Y49-W100 HydrophobicContact CE1-CB 3.33Å; Y49-W100 HydrophobicContact CE1-CG 4.4Å; Y49-W100 HydrophobicContact CE2-CB 4.14Å; Y49-W100 HydrophobicContact CG-CB 4.45Å; Y49-W100 VanDerWaalsContact CZ-CB 3.45Å; Y49-W100 PolarHBondContact N-O 2.97Å; Y49-W100 PolarHBondContact O-N 2.86Å; K51-W100 HydrophobicContact CD-CD2 4.38Å; K51-W100 HydrophobicContact CD-CG 4.28Å; K51-W100 HydrophobicContact CD-CZ2 4.49Å; K51-W100 VanDerWaalsContact NZ-CD2 3.28Å; S98-W100 PolarHBondContact OG-NE1 3.25Å; W100-R108 HydrophobicContact CE3-CB 4.23Å; W100-V109 CarbonylContact C-O 3.6Å; W100-V109 WeakPolarHBondContact CA-O 3.25Å; W100-F110 HydrophobicContact CD2-CD2 4.31Å; W100-F110 AromaticContact CE2-CD2 3.99Å; W100-F110 HydrophobicContact CE3-CB 4.25Å; W100-F110 HydrophobicContact CE3-CD2 4.47Å; W100-F110 HydrophobicContact CH2-CD2 4.11Å; W100-F110 AromaticContact CZ2-CD2 3.9Å; W100-F110 HydrophobicContact CZ2-CD2 3.9Å; W100-F110 HydrophobicContact CZ3-CB 4.12Å; W100-F110 HydrophobicContact CZ3-CD2 4.38Å
101H96.6Very high92.5Very high0 Ų043.3 Ų43.30%022%0.221CC..EExtended strand (participates in β ladder)trans-93.3139.4167.5175.179000110.8E40 K45 C46 N47 G103 R108 V109 L111E40-H101 IonicContact OE1-NE2 3.47Å; E40-H101 PolarHBondContact OE1-NE2 2.57Å; K45-H101 PolarHBondContact O-CE1 3.2Å; C46-H101 WeakPolarHBondContact CA-ND1 3.27Å; N47-H101 PolarHBondContact N-CE1 3.3Å; N47-H101 VanDerWaalsContact N-CE1 3.26Å; N47-H101 PolarHBondContact N-ND1 2.91Å; N47-H101 WeakPolarHBondContact O-CA 3.46Å; H101-G103 PolarHBondContact CD2-N 2.98Å; H101-G103 VanDerWaalsContact CD2-N 3.3Å; H101-G103 WeakPolarHBondContact NE2-CA 3.5Å; H101-G103 PolarHBondContact NE2-N 3.13Å; H101-R108 VanDerWaalsContact O-CA 3.31Å; H101-R108 WeakPolarHBondContact O-CA 3.3Å; H101-V109 HydrophobicContact CB-CB 4.02Å; H101-V109 PolarHBondContact N-O 3.17Å; H101-V109 PolarHBondContact O-N 3.14Å; H101-V109 VanDerWaalsContact O-N 3.16Å; H101-L111 HydrophobicContact CB-CD1 4.02Å; H101-L111 HydrophobicContact CB-CD2 4.29Å; H101-L111 HydrophobicContact CB-CG 4.19Å
102L96.2Very high93Very high58 Ų5838.1 Ų38.130%0.30420%0.195SC..EExtended strand (participates in β ladder)trans-103.6104.7164.8-176.164.9000110.4N47 Y49 V68 A106 R108N47-L102 WeakPolarHBondContact CB-O 3.3Å; N47-L102 PolarHBondContact ND2-O 3.42Å; N47-L102 PolarHBondContact O-N 3.32Å; Y49-L102 HydrophobicContact CD1-CB 4.3Å; Y49-L102 HydrophobicContact CE1-CB 4.09Å; V68-L102 HydrophobicContact CG1-CB 4.21Å; V68-L102 HydrophobicContact CG1-CD2 4.49Å; V68-L102 HydrophobicContact CG2-CB 4.4Å; V68-L102 HydrophobicContact CG2-CD2 3.94Å; L102-A106 HydrophobicContact CD1-CB 4.36Å; L102-R108 HydrophobicContact CD1-CG 4.48Å
103G91.6Very high93.6Very high11 Ų1135.7 Ų35.711%0.11318%0.18CC..  trans-90.3-175.6-179.200000113.6E40 H101 A106 R107E40-G103 WeakPolarHBondContact OE1-CA 3.44Å; H101-G103 PolarHBondContact CD2-N 2.98Å; H101-G103 VanDerWaalsContact CD2-N 3.3Å; H101-G103 WeakPolarHBondContact NE2-CA 3.5Å; H101-G103 PolarHBondContact NE2-N 3.13Å; G103-A106 PolarHBondContact O-N 3.07Å; G103-R107 PolarHBondContact N-O 3.4Å
104T86.1Confident93.9Very high81 Ų8135.9 Ų35.950%0.49718%0.182SC..G310 helixtrans-56.1147172.2540000111.6E40 A106 R107E40-T104 PolarHBondContact OE1-N 3.25Å; T104-A106 PolarHBondContact O-N 3.44Å; T104-R107 PolarHBondContact O-N 3.41Å
105L86.3Confident94Very high180 Ų18034.9 Ų34.994%0.94218%0.181SC*.G310 helixtrans57.729.3-177.9-54.9172.4000114R107L105-R107 PolarHBondContact O-N 2.97Å; L105-R107 VanDerWaalsContact O-N 3.13Å
106A85.3Confident93.8Very high66 Ų6636.2 Ų36.255%0.54519%0.188SC..G310 helixtrans59.320.1-179.500000115.3L102 G103 T104L102-A106 HydrophobicContact CD1-CB 4.36Å; G103-A106 PolarHBondContact O-N 3.07Å; T104-A106 PolarHBondContact O-N 3.44Å
107R89.1Confident93.6Very high117 Ų11738.2 Ų38.244%0.44220%0.202SC..  trans-60.9139.8170.4-178.6172.9171.6-137.817.3109.8D5 G103 T104 L105D5-R107 IonicContact OD1-NH2 3.62Å; D5-R107 PolarHBondContact OD1-NH2 3.32Å; D5-R107 VanDerWaalsContact OD1-NH2 3.14Å; D5-R107 IonicContact OD2-CZ 3.67Å; D5-R107 IonicContact OD2-NE 2.69Å; D5-R107 PolarHBondContact OD2-NE 3.49Å; D5-R107 IonicContact OD2-NH2 3.14Å; D5-R107 PolarHBondContact OD2-NH2 3.27Å; G103-R107 PolarHBondContact N-O 3.4Å; T104-R107 PolarHBondContact O-N 3.41Å; L105-R107 PolarHBondContact O-N 2.97Å; L105-R107 VanDerWaalsContact O-N 3.13Å
108R92.6Very high93.3Very high117 Ų11738.2 Ų38.244%0.44220%0.201SC..EExtended strand (participates in β ladder)trans-118.3120.6-177.1-61.5164.6-173.9161.93.1108.9F4 W100 H101 L102F4-R108 HydrophobicContact CD1-CB 4.2Å; F4-R108 HydrophobicContact CE1-CB 4.37Å; W100-R108 HydrophobicContact CE3-CB 4.23Å; H101-R108 VanDerWaalsContact O-CA 3.31Å; H101-R108 WeakPolarHBondContact O-CA 3.3Å; L102-R108 HydrophobicContact CD1-CG 4.48Å
109V93.2Very high92.8Very high5 Ų540.9 Ų40.93%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-108.4134.1176.8178.70000108.1D5 A7 G39 W100 H101D5-V109 HydrophobicContact CB-CG2 4.31Å; D5-V109 WeakPolarHBondContact O-CA 3.33Å; D5-V109 VanDerWaalsContact O-CG1 3.32Å; D5-V109 WeakPolarHBondContact O-CG1 3.43Å; A7-V109 HydrophobicContact CB-CG1 4Å; G39-V109 WeakPolarHBondContact O-CG2 3.28Å; W100-V109 CarbonylContact C-O 3.6Å; W100-V109 WeakPolarHBondContact CA-O 3.25Å; H101-V109 HydrophobicContact CB-CB 4.02Å; H101-V109 PolarHBondContact N-O 3.17Å; H101-V109 PolarHBondContact O-N 3.14Å; H101-V109 VanDerWaalsContact O-N 3.16Å
110F94.5Very high91.8Very high1 Ų148.3 Ų48.30%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-80.4131179.3177.3-100.1000109.8D5 A7 V9 W100 G112 E113 K139D5-F110 PolarHBondContact O-N 3.17Å; D5-F110 VanDerWaalsContact O-N 3.07Å; A7-F110 PolarHBondContact N-O 3.21Å; V9-F110 HydrophobicContact CG2-CD1 4.37Å; V9-F110 HydrophobicContact CG2-CE1 4.18Å; W100-F110 HydrophobicContact CD2-CD2 4.31Å; W100-F110 AromaticContact CE2-CD2 3.99Å; W100-F110 HydrophobicContact CE3-CB 4.25Å; W100-F110 HydrophobicContact CE3-CD2 4.47Å; W100-F110 HydrophobicContact CH2-CD2 4.11Å; W100-F110 AromaticContact CZ2-CD2 3.9Å; W100-F110 HydrophobicContact CZ2-CD2 3.9Å; W100-F110 HydrophobicContact CZ3-CB 4.12Å; W100-F110 HydrophobicContact CZ3-CD2 4.38Å; F110-G112 WeakPolarHBondContact CE2-O 3.46Å; F110-E113 HydrophobicContact CE2-CB 4Å; F110-E113 HydrophobicContact CE2-CG 4.42Å; F110-E113 HydrophobicContact CZ-CB 3.74Å; F110-E113 HydrophobicContact CZ-CG 3.82Å; F110-K139 HydrophobicContact CD1-CG 4.35Å; F110-K139 HydrophobicContact CE1-CD 4.46Å; F110-K139 HydrophobicContact CE1-CG 3.75Å; F110-K139 HydrophobicContact CE2-CG 4.17Å; F110-K139 HydrophobicContact CZ-CD 4.38Å; F110-K139 HydrophobicContact CZ-CG 3.62Å
111L96Very high91.1Very high0 Ų049.1 Ų49.10%026%0.263CS..EExtended strand (participates in β ladder)trans-112.4-1.2-177.1-59.4-179.3000113.4A7 V9 L36 A37 C46 P48 V99 H101A7-L111 HydrophobicContact CB-CD2 3.88Å; V9-L111 WeakPolarHBondContact CG1-O 3.42Å; L36-L111 HydrophobicContact CD1-CD1 4.5Å; A37-L111 HydrophobicContact CB-CD2 4.45Å; C46-L111 VanDerWaalsContact SG-CD1 3.59Å; P48-L111 HydrophobicContact CB-CD1 4.47Å; V99-L111 HydrophobicContact CB-CB 4.18Å; V99-L111 HydrophobicContact CG1-CB 4.14Å; V99-L111 HydrophobicContact CG1-CD1 4.15Å; V99-L111 WeakPolarHBondContact O-CB 3.44Å; V99-L111 PolarHBondContact O-N 2.82Å; H101-L111 HydrophobicContact CB-CD1 4.02Å; H101-L111 HydrophobicContact CB-CD2 4.29Å; H101-L111 HydrophobicContact CB-CG 4.19Å
112G96.2Very high90.3Very high0 Ų053.2 Ų53.20%029%0.285CS..EExtended strand (participates in β ladder)trans130166.8177.400000113.6S98 V99 F110 R137S98-G112 CarbonylContact C-O 3.54Å; S98-G112 WeakPolarHBondContact CA-O 3.38Å; V99-G112 PolarHBondContact N-O 2.82Å; F110-G112 WeakPolarHBondContact CE2-O 3.46Å; G112-R137 CarbonylContact C-O 3.57Å; G112-R137 VanDerWaalsContact CA-O 3.26Å; G112-R137 WeakPolarHBondContact CA-O 3.37Å
113E97Very high89.5Confident13 Ų1352 Ų526%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-147.6166.1178.271.4-169.4178.900114.1Q96 V97 F110 R137Q96-E113 PolarHBondContact NE2-OE2 3.22Å; V97-E113 CarbonylContact O-C 3.58Å; V97-E113 WeakPolarHBondContact O-CA 3.49Å; V97-E113 WeakPolarHBondContact O-CB 3.36Å; F110-E113 HydrophobicContact CE2-CB 4Å; F110-E113 HydrophobicContact CE2-CG 4.42Å; F110-E113 HydrophobicContact CZ-CB 3.74Å; F110-E113 HydrophobicContact CZ-CG 3.82Å; E113-R137 PolarHBondContact N-O 3.39Å; E113-R137 PolarHBondContact O-N 2.83Å
114V95.9Very high88.7Confident12 Ų1260.8 Ų60.87%0.07331%0.313CS..EExtended strand (participates in β ladder)trans-130.2131.3171.7-174.60000107I13 F15 V97 L116 Y134 L136I13-V114 HydrophobicContact CG2-CG2 3.79Å; F15-V114 HydrophobicContact CZ-CG1 4.42Å; V97-V114 PolarHBondContact N-O 3.29Å; V97-V114 PolarHBondContact O-N 3.42Å; V114-L116 HydrophobicContact CG1-CD1 4.41Å; V114-L116 HydrophobicContact CG1-CD2 3.99Å; V114-L116 HydrophobicContact CG1-CG 3.96Å; V114-Y134 HydrophobicContact CG1-CD1 3.91Å; V114-Y134 HydrophobicContact CG1-CG 4Å; V114-Y134 HydrophobicContact CG2-CG 4.49Å; V114-L136 HydrophobicContact CG2-CD2 4.25Å
115I94.5Very high88Confident49 Ų4959.6 Ų59.625%0.25130%0.303SS..EExtended strand (participates in β ladder)trans-120.4120.7175.2-58.7178.7000108.3R94 L95 Q96R94-I115 HydrophobicContact CB-CG2 4.1Å; L95-I115 CarbonylContact O-C 3.56Å; L95-I115 WeakPolarHBondContact O-CA 3.49Å; Q96-I115 HydrophobicContact CB-CG1 4.3Å; Q96-I115 HydrophobicContact CG-CD1 4.49Å; Q96-I115 HydrophobicContact CG-CG1 4.06Å
116L92.4Very high86.9Confident27 Ų2755.1 Ų55.114%0.14129%0.287CS..EExtended strand (participates in β ladder)trans-119118.7-178-60.4174.4000110.2F15 I17 R94 L95 V114 L118 W121 Y134F15-L116 HydrophobicContact CE2-CD1 3.87Å; F15-L116 HydrophobicContact CZ-CD1 3.63Å; I17-L116 HydrophobicContact CD1-CD1 3.87Å; R94-L116 CarbonylContact C-O 3.53Å; R94-L116 WeakPolarHBondContact CA-O 3.43Å; L95-L116 PolarHBondContact N-O 3.35Å; L95-L116 PolarHBondContact O-N 2.99Å; V114-L116 HydrophobicContact CG1-CD1 4.41Å; V114-L116 HydrophobicContact CG1-CD2 3.99Å; V114-L116 HydrophobicContact CG1-CG 3.96Å; L116-L118 PolarHBondContact O-N 2.65Å; L116-W121 HydrophobicContact CD1-CZ3 4.03Å; L116-Y134 HydrophobicContact CD1-CE1 3.96Å; L116-Y134 HydrophobicContact CD2-CD1 4.27Å; L116-Y134 HydrophobicContact CD2-CE1 3.86Å
117P92.2Very high86Confident51 Ų5155.3 Ų55.333%0.33128%0.281SS..EExtended strand (participates in β ladder)trans-65124.5167.6-1831.6000110.4R94 A119 M120R94-P117 HydrophobicContact CG-CB 4.46Å; P117-A119 VanDerWaalsContact C-N 3.28Å; P117-A119 PolarHBondContact O-N 3.07Å; P117-M120 HydrophobicContact CB-CE 4.15Å; P117-M120 HydrophobicContact CG-CE 3.95Å
118L91.5Very high84.6Confident0 Ų050 Ų500%026%0.263CS..G310 helixtrans-79.8-12.9-178.6-63.6-177.7000112.9I17 L26 L54 L90 R93 L95 L116 M120 W121 F123I17-L118 HydrophobicContact CD1-CD2 4.42Å; L26-L118 HydrophobicContact CD2-CD1 3.68Å; L54-L118 HydrophobicContact CD1-CD1 3.48Å; L54-L118 VanDerWaalsContact CD1-CD1 3.48Å; L90-L118 HydrophobicContact CD2-CD1 3.96Å; L90-L118 WeakPolarHBondContact O-CB 3.49Å; R93-L118 HydrophobicContact CB-CD1 4.17Å; R93-L118 PolarHBondContact O-N 2.83Å; L95-L118 HydrophobicContact CB-CD1 4.48Å; L95-L118 HydrophobicContact CB-CD2 3.98Å; L95-L118 HydrophobicContact CB-CG 4.3Å; L116-L118 PolarHBondContact O-N 2.65Å; L118-M120 PolarHBondContact O-N 2.92Å; L118-W121 PolarHBondContact O-N 2.9Å; L118-W121 VanDerWaalsContact O-N 3.15Å; L118-F123 HydrophobicContact CD2-CZ 4.33Å
119A86.1Confident83.5Confident56 Ų5647.1 Ų47.146%0.46325%0.254SS..G310 helixtrans-58-30172.700000113.4M91 P117M91-A119 WeakPolarHBondContact O-CB 3.09Å; P117-A119 VanDerWaalsContact C-N 3.28Å; P117-A119 PolarHBondContact O-N 3.07Å
120M77.6Confident83.1Confident157 Ų15751.7 Ų51.777%0.77328%0.279SS*.G310 helixtrans-98.32.3-178.1-56.4-173.3-58.500112.4P117 L118P117-M120 HydrophobicContact CB-CE 4.15Å; P117-M120 HydrophobicContact CG-CE 3.95Å; L118-M120 PolarHBondContact O-N 2.92Å
121W82.5Confident82.9Confident31 Ų3153.4 Ų53.412%0.11729%0.293CS..  trans-88.6116.9-175.4-161.5-86.7000110.4I17 L116 L118 F123 A128 Y134I17-W121 HydrophobicContact CB-CH2 4.41Å; I17-W121 HydrophobicContact CB-CZ2 3.65Å; I17-W121 HydrophobicContact CD1-CD2 4.03Å; I17-W121 HydrophobicContact CD1-CE3 4Å; I17-W121 HydrophobicContact CD1-CH2 3.7Å; I17-W121 HydrophobicContact CD1-CZ2 3.74Å; I17-W121 HydrophobicContact CD1-CZ3 3.84Å; I17-W121 HydrophobicContact CG1-CH2 4.06Å; I17-W121 HydrophobicContact CG1-CZ2 3.8Å; L116-W121 HydrophobicContact CD1-CZ3 4.03Å; L118-W121 PolarHBondContact O-N 2.9Å; L118-W121 VanDerWaalsContact O-N 3.15Å; W121-F123 HydrophobicContact CB-CE1 4.48Å; W121-F123 HydrophobicContact CB-CE2 3.94Å; W121-F123 HydrophobicContact CB-CZ 3.92Å; W121-F123 AromaticContact CD1-CD1 3.48Å; W121-F123 VanDerWaalsContact CD1-CD1 3.48Å; W121-F123 AromaticContact CD1-CE1 3.33Å; W121-F123 AromaticContact CD1-CG 3.92Å; W121-F123 AromaticContact CD1-CZ 3.65Å; W121-F123 HydrophobicContact CG-CE1 4.09Å; W121-F123 HydrophobicContact CG-CE2 4.37Å; W121-F123 HydrophobicContact CG-CZ 4Å; W121-F123 AromaticContact NE1-CE1 3.99Å; W121-F123 VanDerWaalsContact O-CD2 3.3Å; W121-F123 WeakPolarHBondContact O-CD2 3.41Å; W121-F123 PolarHBondContact O-N 2.74Å; W121-A128 WeakPolarHBondContact CZ2-O 3.08Å; W121-Y134 WeakPolarHBondContact CH2-OH 3.21Å; W121-Y134 WeakPolarHBondContact CZ3-OH 3.21Å
122D79.5Confident82.8Confident85 Ų8558.3 Ų58.346%0.45531%0.311SS..  trans-80.399.3174.1-169.2-10.1000110.2K124 D125 A128D122-K124 PolarHBondContact O-N 3.45Å; D122-K124 WeakPolarHBondContact OD1-CA 3.13Å; D122-K124 WeakPolarHBondContact OD1-CB 3.12Å; D122-K124 PolarHBondContact OD1-N 2.79Å; D122-D125 HydrophobicContact CB-CB 4.02Å; D122-D125 PolarHBondContact OD1-N 3.47Å; D122-A128 VanDerWaalsContact O-CB 3.27Å; D122-A128 WeakPolarHBondContact O-CB 3.06Å
123F80.3Confident82.8Confident34 Ų3462.8 Ų62.815%0.14933%0.328CS..SBendtrans-74.5-12.3176.5-63.7-77000113.6I17 L26 L90 L118 W121 Q129I17-F123 HydrophobicContact CG2-CE1 4.02Å; L26-F123 HydrophobicContact CD1-CE1 3.5Å; L26-F123 VanDerWaalsContact CD1-CE1 3.5Å; L26-F123 HydrophobicContact CD1-CZ 3.89Å; L90-F123 HydrophobicContact CB-CE2 4.33Å; L90-F123 HydrophobicContact CD1-CD2 4.22Å; L90-F123 HydrophobicContact CD1-CE2 3.75Å; L90-F123 HydrophobicContact CD1-CZ 3.96Å; L118-F123 HydrophobicContact CD2-CZ 4.33Å; W121-F123 HydrophobicContact CB-CE1 4.48Å; W121-F123 HydrophobicContact CB-CE2 3.94Å; W121-F123 HydrophobicContact CB-CZ 3.92Å; W121-F123 AromaticContact CD1-CD1 3.48Å; W121-F123 VanDerWaalsContact CD1-CD1 3.48Å; W121-F123 AromaticContact CD1-CE1 3.33Å; W121-F123 AromaticContact CD1-CG 3.92Å; W121-F123 AromaticContact CD1-CZ 3.65Å; W121-F123 HydrophobicContact CG-CE1 4.09Å; W121-F123 HydrophobicContact CG-CE2 4.37Å; W121-F123 HydrophobicContact CG-CZ 4Å; W121-F123 AromaticContact NE1-CE1 3.99Å; W121-F123 VanDerWaalsContact O-CD2 3.3Å; W121-F123 WeakPolarHBondContact O-CD2 3.41Å; W121-F123 PolarHBondContact O-N 2.74Å; F123-Q129 PolarHBondContact O-NE2 3.37Å
124K73.5Confident82.8Confident195 Ų19563.7 Ų63.785%0.84833%0.331SS*.SBendtrans-90-25.3178.7-63.7-177.7178.2-179.50112.3D122 S126D122-K124 PolarHBondContact O-N 3.45Å; D122-K124 WeakPolarHBondContact OD1-CA 3.13Å; D122-K124 WeakPolarHBondContact OD1-CB 3.12Å; D122-K124 PolarHBondContact OD1-N 2.79Å; K124-S126 PolarHBondContact O-N 3.5Å
125D71.1Confident82.9Confident56 Ų5666.2 Ų66.230%0.29935%0.348SS..  trans-74.6115.8176-179.34.4000111.2D122 T127 A128 Q129D122-D125 HydrophobicContact CB-CB 4.02Å; D122-D125 PolarHBondContact OD1-N 3.47Å; D125-T127 PolarHBondContact O-N 2.93Å; D125-T127 WeakPolarHBondContact OD1-CB 3.48Å; D125-T127 PolarHBondContact OD1-N 2.78Å; D125-T127 PolarHBondContact OD1-OG1 3.34Å; D125-T127 PolarHBondContact OD2-OG1 3.19Å; D125-A128 HydrophobicContact CB-CB 4.01Å; D125-A128 WeakPolarHBondContact O-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.09Å; D125-Q129 PolarHBondContact O-N 2.96Å
126S63.8Low83Confident85 Ų8564.5 Ų64.559%0.59434%0.339SS*.THydrogen-bonded Turntrans-60.3-25.6175.749.20000113.2K124 Q129K124-S126 PolarHBondContact O-N 3.5Å; S126-Q129 WeakPolarHBondContact O-CB 3.08Å; S126-Q129 PolarHBondContact O-N 2.75Å
127T65.5Low83.1Confident70 Ų7071.7 Ų71.743%0.42936%0.364SS..THydrogen-bonded Turntrans-80.5-27.7178.577.80000112.6D125 Q129 N130 R132D125-T127 PolarHBondContact O-N 2.93Å; D125-T127 WeakPolarHBondContact OD1-CB 3.48Å; D125-T127 PolarHBondContact OD1-N 2.78Å; D125-T127 PolarHBondContact OD1-OG1 3.34Å; D125-T127 PolarHBondContact OD2-OG1 3.19Å; T127-Q129 PolarHBondContact O-N 2.83Å; T127-N130 PolarHBondContact O-N 2.91Å; T127-R132 PolarHBondContact O-NH2 2.85Å
128A61.7Low83Confident7 Ų772.4 Ų72.46%0.05838%0.375CS..THydrogen-bonded Turntrans-67.2-23.2170.500000111.7W121 D122 D125W121-A128 WeakPolarHBondContact CZ2-O 3.08Å; D122-A128 VanDerWaalsContact O-CB 3.27Å; D122-A128 WeakPolarHBondContact O-CB 3.06Å; D125-A128 HydrophobicContact CB-CB 4.01Å; D125-A128 WeakPolarHBondContact O-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.09Å
129Q69.3Low82.6Confident55 Ų5575.8 Ų75.826%0.25739%0.389SS..THydrogen-bonded Turntrans-82.6-8.7176.8-71.7-171.839.100114.1A16 H18 F123 D125 S126 T127A16-Q129 WeakPolarHBondContact CB-O 3.34Å; H18-Q129 PolarHBondContact CE1-O 2.84Å; H18-Q129 WeakPolarHBondContact ND1-CB 3.48Å; H18-Q129 PolarHBondContact ND1-OE1 2.79Å; H18-Q129 PolarHBondContact NE2-O 3.36Å; F123-Q129 PolarHBondContact O-NE2 3.37Å; D125-Q129 PolarHBondContact O-N 2.96Å; S126-Q129 WeakPolarHBondContact O-CB 3.08Å; S126-Q129 PolarHBondContact O-N 2.75Å; T127-Q129 PolarHBondContact O-N 2.83Å
130N83.4Confident81.6Confident102 Ų10276.3 Ų76.355%0.54539%0.394SS..SBendtrans-70.5149.9174.1-71.4-23.8000111.1T127 R132T127-N130 PolarHBondContact O-N 2.91Å; N130-R132 PolarHBondContact O-N 2.87Å
131A91.1Very high80.4Confident36 Ų3676.5 Ų76.530%0.29839%0.393SS..  trans-64.2133.1173.900000110E14 F15 A16 K31E14-A131 HydrophobicContact CG-CB 3.94Å; F15-A131 WeakPolarHBondContact O-CA 3.42Å; A16-A131 HydrophobicContact CB-CB 4.17Å; K31-A131 HydrophobicContact CG-CB 3.92Å
132R93.5Very high78.7Confident104 Ų10483.5 Ų83.539%0.39242%0.424SS..EExtended strand (participates in β ladder)trans-127.7147-178.7-66.8177.6-175.6-173.1-1.8110.1E14 F15 T127 N130 Y134E14-R132 WeakPolarHBondContact CA-O 3.38Å; F15-R132 PolarHBondContact N-O 3.15Å; F15-R132 VanDerWaalsContact N-O 3.15Å; F15-R132 PolarHBondContact O-N 2.79Å; T127-R132 PolarHBondContact O-NH2 2.85Å; N130-R132 PolarHBondContact O-N 2.87Å; R132-Y134 HydrophobicContact CB-CE2 3.75Å; R132-Y134 VanDerWaalsContact O-CD2 3.24Å; R132-Y134 WeakPolarHBondContact O-CD2 3.45Å; R132-Y134 WeakPolarHBondContact O-CE2 3.33Å
133W96.8Very high77Confident94 Ų9488.6 Ų88.636%0.35644%0.438SS..EExtended strand (participates in β ladder)trans-80134.4171.7-72.592.8000110.7E12 I13 E14 T32 K34E12-W133 HydrophobicContact CB-CE3 3.69Å; E12-W133 HydrophobicContact CB-CZ3 4.18Å; I13-W133 CarbonylContact O-C 3.59Å; I13-W133 WeakPolarHBondContact O-CA 3.26Å; E14-W133 HydrophobicContact CB-CD2 3.72Å; E14-W133 HydrophobicContact CB-CE3 3.8Å; E14-W133 HydrophobicContact CB-CG 4.36Å; E14-W133 HydrophobicContact CB-CH2 3.97Å; E14-W133 HydrophobicContact CB-CZ2 3.84Å; E14-W133 HydrophobicContact CB-CZ3 3.92Å; E14-W133 HydrophobicContact CG-CD2 4.21Å; E14-W133 HydrophobicContact CG-CG 4.43Å; E14-W133 HydrophobicContact CG-CZ2 4.4Å; E14-W133 PolarHBondContact OE1-NE1 3.43Å; T32-W133 HydrophobicContact CG2-CH2 3.48Å; T32-W133 VanDerWaalsContact CG2-CH2 3.48Å; T32-W133 HydrophobicContact CG2-CZ2 3.77Å; T32-W133 HydrophobicContact CG2-CZ3 4.41Å; K34-W133 HydrophobicContact CB-CH2 4.1Å; K34-W133 HydrophobicContact CB-CZ3 4.2Å; K34-W133 HydrophobicContact CD-CE3 4.23Å; K34-W133 HydrophobicContact CD-CH2 3.65Å; K34-W133 HydrophobicContact CD-CZ2 4.16Å; K34-W133 HydrophobicContact CD-CZ3 3.72Å; K34-W133 HydrophobicContact CG-CE3 4.34Å; K34-W133 HydrophobicContact CG-CH2 3.81Å; K34-W133 HydrophobicContact CG-CZ3 3.59Å
134Y96.9Very high75.4Confident31 Ų3189 Ų8912%0.12244%0.44CS..EExtended strand (participates in β ladder)trans-126.7127.7175.2-64.8-87.9000109.8E12 I13 F15 V114 L116 W121 R132 L136E12-Y134 CarbonylContact C-O 3.45Å; E12-Y134 VanDerWaalsContact CA-O 3.29Å; E12-Y134 WeakPolarHBondContact CA-O 3.42Å; I13-Y134 PolarHBondContact N-O 2.64Å; I13-Y134 PolarHBondContact O-N 2.94Å; F15-Y134 AromaticContact CD1-CD2 3.73Å; F15-Y134 HydrophobicContact CD1-CD2 3.73Å; F15-Y134 HydrophobicContact CD1-CE2 4.13Å; F15-Y134 HydrophobicContact CD2-CE2 4.49Å; F15-Y134 AromaticContact CE1-CD2 3.2Å; F15-Y134 HydrophobicContact CE1-CD2 3.2Å; F15-Y134 AromaticContact CE1-CE2 3.68Å; F15-Y134 HydrophobicContact CE1-CE2 3.68Å; F15-Y134 AromaticContact CE1-CG 3.87Å; F15-Y134 HydrophobicContact CE1-CG 3.87Å; F15-Y134 HydrophobicContact CE2-CD2 4.42Å; F15-Y134 HydrophobicContact CE2-CE2 4.07Å; F15-Y134 AromaticContact CZ-CD2 3.61Å; F15-Y134 HydrophobicContact CZ-CD2 3.61Å; F15-Y134 AromaticContact CZ-CE2 3.64Å; F15-Y134 HydrophobicContact CZ-CE2 3.64Å; F15-Y134 HydrophobicContact CZ-CG 4.22Å; V114-Y134 HydrophobicContact CG1-CD1 3.91Å; V114-Y134 HydrophobicContact CG1-CG 4Å; V114-Y134 HydrophobicContact CG2-CG 4.49Å; L116-Y134 HydrophobicContact CD1-CE1 3.96Å; L116-Y134 HydrophobicContact CD2-CD1 4.27Å; L116-Y134 HydrophobicContact CD2-CE1 3.86Å; W121-Y134 WeakPolarHBondContact CH2-OH 3.21Å; W121-Y134 WeakPolarHBondContact CZ3-OH 3.21Å; R132-Y134 HydrophobicContact CB-CE2 3.75Å; R132-Y134 VanDerWaalsContact O-CD2 3.24Å; R132-Y134 WeakPolarHBondContact O-CD2 3.45Å; R132-Y134 WeakPolarHBondContact O-CE2 3.33Å; Y134-L136 PolarHBondContact O-N 2.82Å
135P97.2Very high73.9Confident65 Ų6588 Ų8842%0.42244%0.439SS..EExtended strand (participates in β ladder)trans-67.8133.2174.927.9-33.9000110.2
136L97.3Very high72.5Confident14 Ų1490.8 Ų90.87%0.07345%0.454CS..  trans-73.7137.3177.1-68.5171.7000110.2V9 G11 I13 L36 V99 V114 Y134V9-L136 HydrophobicContact CG1-CB 3.88Å; G11-L136 WeakPolarHBondContact O-CB 3.43Å; G11-L136 PolarHBondContact O-N 3.28Å; I13-L136 HydrophobicContact CB-CD2 4.22Å; I13-L136 HydrophobicContact CG2-CD2 3.78Å; I13-L136 HydrophobicContact CG2-CG 4.46Å; L36-L136 HydrophobicContact CD2-CD1 3.32Å; V99-L136 HydrophobicContact CB-CD1 4.37Å; V99-L136 HydrophobicContact CB-CD2 4.49Å; V99-L136 HydrophobicContact CG2-CD1 3.96Å; V99-L136 HydrophobicContact CG2-CD2 3.65Å; V99-L136 HydrophobicContact CG2-CG 4.49Å; V114-L136 HydrophobicContact CG2-CD2 4.25Å; Y134-L136 PolarHBondContact O-N 2.82Å
137R94.2Very high71.8Confident177 Ų17790.5 Ų90.567%0.66845%0.445SS*.BIsolated β-bridgetrans-117.6148.8179.3-60.8-176.4-178.5-176.1-1111.3G112 E113G112-R137 CarbonylContact C-O 3.57Å; G112-R137 VanDerWaalsContact CA-O 3.26Å; G112-R137 WeakPolarHBondContact CA-O 3.37Å; E113-R137 PolarHBondContact N-O 3.39Å; E113-R137 PolarHBondContact O-N 2.83Å
138A90.6Very high71.1Confident66 Ų6690.6 Ų90.655%0.54545%0.446SS..  trans-60.6153.4165.300000109.9V9 A140V9-A138 HydrophobicContact CB-CB 4.46Å; V9-A138 HydrophobicContact CG2-CB 4.14Å; A138-A140 PolarHBondContact O-N 2.9Å
139K82.9Confident71.1Confident72 Ų7294.7 Ų94.731%0.31346%0.464SS..  trans-59.2130.3171.6-75.6179.9179.5174.60108.6F110 E141F110-K139 HydrophobicContact CD1-CG 4.35Å; F110-K139 HydrophobicContact CE1-CD 4.46Å; F110-K139 HydrophobicContact CE1-CG 3.75Å; F110-K139 HydrophobicContact CE2-CG 4.17Å; F110-K139 HydrophobicContact CZ-CD 4.38Å; F110-K139 HydrophobicContact CZ-CG 3.62Å; K139-E141 PolarHBondContact O-N 3.13Å
140A65.5Low71.4Confident67 Ų6795 Ų9555%0.55447%0.468SS*.  trans-60.5111.816800000108A138 K142A138-A140 PolarHBondContact O-N 2.9Å; A140-K142 PolarHBondContact O-N 3.03Å
141E52.1Low71.4Confident160 Ų16090.9 Ų90.975%0.74845%0.446SS*.SBendtrans-59.3123.2176.3-66-173.516500109.1K139 Y143K139-E141 PolarHBondContact O-N 3.13Å; E141-Y143 VanDerWaalsContact C-N 3.27Å; E141-Y143 PolarHBondContact O-N 3.23Å
142K47.4Very low71.2Confident178 Ų17889.2 Ų89.277%0.77443%0.432SS*.SBendtrans64.9-8.7162.9-61.8178.7178.6176.40119.7A140A140-K142 PolarHBondContact O-N 3.03Å
143Y43.4Very low71.1Confident193 Ų19386.4 Ų86.476%0.75742%0.423SS*.SBendtrans-79.6-26.8179.1-90.7-89.7000114.6E141 E145 N146E141-Y143 VanDerWaalsContact C-N 3.27Å; E141-Y143 PolarHBondContact O-N 3.23Å; Y143-E145 PolarHBondContact O-N 3Å; Y143-N146 PolarHBondContact O-N 3.22Å
144E45.3Very low71Confident42 Ų4281.9 Ų81.920%0.19641%0.406CS..G310 helixtrans-77.3-17.7-177.5-70.7-145.7129.900114.9R58 R94 N146 I147R58-E144 IonicContact CZ-OE2 3Å; R58-E144 IonicContact NH2-OE2 2.79Å; R58-E144 PolarHBondContact NH2-OE2 3.4Å; R94-E144 IonicContact CZ-OE1 2.72Å; R94-E144 IonicContact NH1-OE1 2.73Å; R94-E144 PolarHBondContact NH1-OE1 2.86Å; R94-E144 IonicContact NH2-OE1 2.65Å; R94-E144 PolarHBondContact NH2-OE1 3.47Å; E144-N146 PolarHBondContact O-N 2.69Å; E144-I147 HydrophobicContact CG-CD1 4.24Å
145E42.9Very low70.9Confident175 Ų17582 Ų8282%0.81841%0.413SS*.G310 helixtrans-70.5-19.3172.1-71.8-174.9171.900112Y143Y143-E145 PolarHBondContact O-N 3Å
146N40.8Very low70.8Confident113 Ų11378.9 Ų78.960%0.60439%0.393SS*.G310 helixtrans-100.20.4179.9-70.1-38.8000114.2Y143 E144 P148Y143-N146 PolarHBondContact O-N 3.22Å; E144-N146 PolarHBondContact O-N 2.69Å; N146-P148 WeakPolarHBondContact O-CD 3.43Å
147I49Very low70.7Confident79 Ų7982.5 Ų82.541%0.40541%0.406SS..SBendtrans-78.9118.2169.9-57.3173.4000106.5E144 Q149E144-I147 HydrophobicContact CG-CD1 4.24Å; I147-Q149 PolarHBondContact O-N 3.39Å
148P51.2Low70.8Confident72 Ų7274.1 Ų74.147%0.46837%0.374SS..  trans-54.3111.5178.618.5-28.4000108.8N146 N150N146-P148 WeakPolarHBondContact O-CD 3.43Å; P148-N150 PolarHBondContact O-N 2.8Å
149Q62.1Low70.9Confident94 Ų9473.2 Ų73.244%0.43936%0.358SS..  trans-61.4122.1175.4-70.7178.9-1.200106I147 H311I147-Q149 PolarHBondContact O-N 3.39Å; Q149-H311 VanDerWaalsContact O-CA 3.31Å; Q149-H311 WeakPolarHBondContact O-CA 3.38Å; Q149-H311 PolarHBondContact O-ND1 2.84Å
150N75.2Confident71.4Confident61 Ų6169.8 Ų69.833%0.32634%0.343SS..  trans-106.892173.5-178.4-12.7000107.3P56 P148 G152 V309 L310P56-N150 WeakPolarHBondContact CG-O 3.3Å; P148-N150 PolarHBondContact O-N 2.8Å; N150-G152 PolarHBondContact O-N 2.77Å; N150-G152 PolarHBondContact OD1-N 2.74Å; N150-G152 PolarHBondContact OD1-O 3.31Å; N150-V309 HydrophobicContact CB-CG1 4.29Å; N150-L310 CarbonylContact C-O 3.59Å
151N83.4Confident72.6Confident16 Ų1668.4 Ų68.49%0.08633%0.328CS..  trans-84.311.9179.9-63.9-29.3000112.9P56 L193 P194 L268 L310 H311P56-N151 WeakPolarHBondContact CB-OD1 3.46Å; P56-N151 WeakPolarHBondContact CG-OD1 3.34Å; N151-L193 WeakPolarHBondContact O-CA 3.31Å; N151-P194 WeakPolarHBondContact O-CD 3.41Å; N151-L268 WeakPolarHBondContact CB-O 3.38Å; N151-L268 PolarHBondContact ND2-O 2.87Å; N151-L310 HydrophobicContact CB-CB 4.29Å; N151-L310 PolarHBondContact N-O 2.81Å; N151-H311 PolarHBondContact ND2-O 3.05Å; N151-H311 VanDerWaalsContact ND2-O 3.09Å; N151-H311 PolarHBondContact ND2-OXT 2.83Å
152G87.3Confident74.2Confident0 Ų063.1 Ų63.10%030%0.304CS..  trans122.5-171.9178.400000112.7N150 K191 N192 L310N150-G152 PolarHBondContact O-N 2.77Å; N150-G152 PolarHBondContact OD1-N 2.74Å; N150-G152 PolarHBondContact OD1-O 3.31Å; G152-K191 WeakPolarHBondContact CA-O 3.49Å; G152-N192 VanDerWaalsContact CA-O 3.31Å; G152-N192 WeakPolarHBondContact CA-O 3.33Å; G152-L310 WeakPolarHBondContact O-CB 3.12Å; G152-L310 PolarHBondContact O-N 3.38Å
153E91.3Very high75.7Confident45 Ų4557.5 Ų57.521%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-125.4136-177.5-71.3168.7-126.100110.1A190 K191 T307 L308E153-A190 CarbonylContact O-C 3.54Å; E153-A190 WeakPolarHBondContact O-CA 2.95Å; E153-A190 WeakPolarHBondContact O-CB 3.19Å; E153-K191 HydrophobicContact CB-CG 4Å; E153-K191 PolarHBondContact N-O 2.96Å; E153-K191 PolarHBondContact O-N 2.98Å; E153-K191 IonicContact OE1-NZ 2.76Å; E153-K191 WeakPolarHBondContact OE2-CE 3.4Å; E153-K191 IonicContact OE2-NZ 3.19Å; E153-K191 PolarHBondContact OE2-NZ 3.39Å; E153-T307 HydrophobicContact CB-CG2 3.95Å; E153-T307 HydrophobicContact CG-CG2 4.18Å; E153-T307 WeakPolarHBondContact OE2-CG2 3.22Å; E153-L308 CarbonylContact C-O 3.52Å; E153-L308 VanDerWaalsContact CA-O 3.31Å; E153-L308 WeakPolarHBondContact CA-O 3.47Å
154L94.4Very high76.6Confident0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-110.2118.1175-174.269.7000109.5V156 V187 A190 V205 W232 L253 V255 L308 L310L154-V156 HydrophobicContact CD2-CG1 3.94Å; L154-V156 HydrophobicContact CG-CG1 3.85Å; L154-V187 HydrophobicContact CD1-CG1 3.95Å; L154-A190 HydrophobicContact CD1-CB 3.95Å; L154-V205 HydrophobicContact CD1-CG2 4.33Å; L154-W232 HydrophobicContact CD1-CZ3 3.92Å; L154-L253 HydrophobicContact CD2-CB 4.02Å; L154-L253 HydrophobicContact CD2-CD1 4.06Å; L154-V255 HydrophobicContact CD1-CG2 4.01Å; L154-V255 HydrophobicContact CD2-CG2 4.28Å; L154-L308 HydrophobicContact CB-CB 4.44Å; L154-L308 PolarHBondContact N-O 3.4Å; L154-L308 PolarHBondContact O-N 3.09Å; L154-L310 HydrophobicContact CB-CD1 4.24Å; L154-L310 HydrophobicContact CB-CD2 4.02Å; L154-L310 HydrophobicContact CB-CG 4.16Å; L154-L310 HydrophobicContact CD2-CD2 4.47Å
155A95.2Very high77.3Confident32 Ų3253.7 Ų53.726%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-88.4124.9174.800000109.9L188 G189A155-L188 HydrophobicContact CB-CB 4.18Å; A155-L188 HydrophobicContact CB-CD1 4.38Å; A155-L188 WeakPolarHBondContact O-CB 3.46Å; A155-L188 PolarHBondContact O-N 3.24Å; A155-G189 PolarHBondContact N-O 3.46Å; A155-G189 PolarHBondContact O-N 2.85Å
156V95.9Very high77.4Confident0 Ų051.7 Ų51.70%031%0.31CS..EExtended strand (participates in β ladder)trans-137.8157.9-179.7-55.30000111.5L154 L185 V186 V187 L253 M306 L308L154-V156 HydrophobicContact CD2-CG1 3.94Å; L154-V156 HydrophobicContact CG-CG1 3.85Å; V156-L185 HydrophobicContact CB-CD1 4Å; V156-L185 HydrophobicContact CG2-CD1 4.22Å; V156-V186 CarbonylContact C-O 3.55Å; V156-V186 VanDerWaalsContact CA-O 3.28Å; V156-V186 WeakPolarHBondContact CA-O 3.43Å; V156-V187 HydrophobicContact CG1-CG2 4.48Å; V156-L253 HydrophobicContact CG1-CD1 4.09Å; V156-M306 HydrophobicContact CG2-CB 3.93Å; V156-M306 HydrophobicContact CG2-CE 3.71Å; V156-M306 PolarHBondContact N-O 3.03Å; V156-M306 PolarHBondContact O-N 3.07Å; V156-L308 HydrophobicContact CG1-CD1 4.42Å; V156-L308 HydrophobicContact CG2-CD1 3.93Å; V156-L308 HydrophobicContact CG2-CG 4.13Å
157R95.3Very high77.8Confident91 Ų9154.9 Ų54.934%0.34331%0.313SS..EExtended strand (participates in β ladder)trans-129130.5171.9178.9-175.8-76.7-173.7-3.4109.1L185 V186 W303 T304 D305R157-L185 CarbonylContact O-C 3.6Å; R157-L185 WeakPolarHBondContact O-CA 3.44Å; R157-V186 HydrophobicContact CB-CB 4.36Å; R157-V186 PolarHBondContact N-O 3.19Å; R157-V186 PolarHBondContact O-N 2.91Å; R157-W303 HydrophobicContact CB-CE3 4.48Å; R157-W303 HydrophobicContact CG-CB 3.94Å; R157-W303 HydrophobicContact CG-CD2 3.95Å; R157-W303 HydrophobicContact CG-CE3 3.43Å; R157-W303 VanDerWaalsContact CG-CE3 3.43Å; R157-W303 HydrophobicContact CG-CG 4.22Å; R157-W303 HydrophobicContact CG-CZ3 4.12Å; R157-T304 CarbonylContact C-O 3.49Å; R157-T304 VanDerWaalsContact CA-O 3.32Å; R157-T304 WeakPolarHBondContact CA-O 3.27Å; R157-D305 VanDerWaalsContact CB-OD1 3.3Å; R157-D305 WeakPolarHBondContact CB-OD1 3.43Å; R157-D305 VanDerWaalsContact CG-OD1 3.26Å; R157-D305 WeakPolarHBondContact CG-OD1 3.44Å; R157-D305 IonicContact CZ-OD1 3.35Å; R157-D305 IonicContact CZ-OD2 3.63Å; R157-D305 IonicContact NE-OD1 2.64Å; R157-D305 PolarHBondContact NE-OD1 2.76Å; R157-D305 IonicContact NE-OD2 3.66Å; R157-D305 IonicContact NH2-OD1 2.79Å; R157-D305 PolarHBondContact NH2-OD1 2.84Å; R157-D305 IonicContact NH2-OD2 3.93Å; R157-D305 PolarHBondContact NH2-OD2 2.96Å
158A95.1Very high77.4Confident1 Ų160 Ų601%0.00833%0.332CS..EExtended strand (participates in β ladder)trans-125.2149.9-178.500000112.1C184 L185 V296 T304 M306A158-C184 CarbonylContact C-O 3.41Å; A158-C184 VanDerWaalsContact CA-O 3.3Å; A158-C184 WeakPolarHBondContact CA-O 3.17Å; A158-L185 HydrophobicContact CB-CD1 3.94Å; A158-V296 HydrophobicContact CB-CG1 3.88Å; A158-V296 HydrophobicContact CB-CG2 3.76Å; A158-T304 PolarHBondContact N-O 2.92Å; A158-T304 PolarHBondContact O-N 2.99Å; A158-M306 HydrophobicContact CB-CE 3.62Å
159K93.6Very high77.1Confident47 Ų4762.5 Ų62.520%0.20435%0.349CS..EExtended strand (participates in β ladder)trans-146.5129.6178170.1173.5177.3163.80109.8V161 C184 N301 L302 W303K159-V161 HydrophobicContact CD-CG2 4.32Å; K159-V161 HydrophobicContact CG-CG2 4.1Å; K159-C184 HydrophobicContact CB-CB 4.43Å; K159-C184 PolarHBondContact N-O 2.81Å; K159-C184 PolarHBondContact O-N 3.25Å; K159-N301 VanDerWaalsContact CE-C 3.43Å; K159-N301 WeakPolarHBondContact CE-O 3.09Å; K159-N301 PolarHBondContact NZ-O 2.73Å; K159-L302 WeakPolarHBondContact CB-O 3.36Å; K159-L302 WeakPolarHBondContact CG-O 3.13Å; K159-W303 HydrophobicContact CB-CD2 3.68Å; K159-W303 HydrophobicContact CB-CE3 3.25Å; K159-W303 HydrophobicContact CB-CG 4.37Å; K159-W303 HydrophobicContact CB-CH2 4.22Å; K159-W303 HydrophobicContact CB-CZ3 3.59Å; K159-W303 HydrophobicContact CD-CD2 3.83Å; K159-W303 HydrophobicContact CD-CE3 4.26Å; K159-W303 HydrophobicContact CD-CG 4.18Å; K159-W303 HydrophobicContact CD-CZ2 4.15Å; K159-W303 HydrophobicContact CG-CD2 4.39Å; K159-W303 HydrophobicContact CG-CE3 4.38Å
160L92.2Very high76.2Confident0 Ų066.4 Ų66.40%037%0.367CS..EExtended strand (participates in β ladder)trans-91.1113.2167.7176.656.6000109L162 L246 L297 N301L160-L162 HydrophobicContact CD1-CD2 4.22Å; L160-L162 HydrophobicContact CD2-CD2 4.32Å; L160-L162 HydrophobicContact CD2-CG 4.46Å; L160-L162 HydrophobicContact CG-CD2 4.14Å; L160-L162 HydrophobicContact CG-CG 4.18Å; L160-L246 HydrophobicContact CD1-CD1 3.45Å; L160-L246 VanDerWaalsContact CD1-CD1 3.45Å; L160-L246 HydrophobicContact CD2-CD1 4.16Å; L160-L246 HydrophobicContact CG-CD1 4.38Å; L160-L297 HydrophobicContact CD2-CD2 4.02Å; L160-N301 PolarHBondContact O-N 3.02Å
161V91.2Very high74.7Confident38 Ų3872.7 Ų72.723%0.2339%0.394CS..EExtended strand (participates in β ladder)trans-90.3119.1174.8-172.30000108.6K159 G181 Q182 N301K159-V161 HydrophobicContact CD-CG2 4.32Å; K159-V161 HydrophobicContact CG-CG2 4.1Å; V161-G181 CarbonylContact O-C 3.6Å; V161-G181 WeakPolarHBondContact O-CA 3.43Å; V161-Q182 HydrophobicContact CB-CB 4.19Å; V161-Q182 PolarHBondContact N-O 3.47Å; V161-Q182 PolarHBondContact O-N 3.26Å; V161-N301 WeakPolarHBondContact CA-OD1 3.3Å
162L86Confident72.6Confident48 Ų4876.1 Ų76.125%0.25143%0.425SS..  trans-110.7136.3171.2-61.9176.4000108.5L160 A164 S243 P300 N301L160-L162 HydrophobicContact CD1-CD2 4.22Å; L160-L162 HydrophobicContact CD2-CD2 4.32Å; L160-L162 HydrophobicContact CD2-CG 4.46Å; L160-L162 HydrophobicContact CG-CD2 4.14Å; L160-L162 HydrophobicContact CG-CG 4.18Å; L162-A164 PolarHBondContact O-N 3.04Å; L162-A164 VanDerWaalsContact O-N 3.16Å; L162-S243 WeakPolarHBondContact CD2-OG 3.44Å; L162-P300 HydrophobicContact CD1-CB 3.71Å; L162-P300 HydrophobicContact CD1-CG 4.34Å; L162-P300 HydrophobicContact CG-CB 4.17Å; L162-N301 PolarHBondContact N-OD1 3.28Å; L162-N301 VanDerWaalsContact N-OD1 3.15Å
163P79Confident70.3Confident61 Ų6184.9 Ų84.940%0.39647%0.466SS..  trans-59.9122177.224.5-32.1000109.6
164A61.1Low67.4Low97 Ų9792.4 Ų92.480%0.80250%0.501SS*.  trans-90.8116.217600000109.5L162L162-A164 PolarHBondContact O-N 3.04Å; L162-A164 VanDerWaalsContact O-N 3.16Å
165G60.5Low64.5Low58 Ų5895.3 Ų95.360%0.59853%0.531SS*.SBendtrans128.1148.8163.100000115.7R167G165-R167 PolarHBondContact O-N 2.83Å
166P46.4Very low61.7Low133 Ų133103 Ų10386%0.86456%0.561SS**PPolyproline II helixtrans-67.7117.117428.8-31.2000108.8K168P166-K168 PolarHBondContact O-N 2.97Å
167R47.8Very low58.9Low180 Ų180109.3 Ų109.368%0.67959%0.594SS**PPolyproline II helixtrans-66.8132.5170.1-69.8-178.3179.3166.1-1.1108G165G165-R167 PolarHBondContact O-N 2.83Å
168K40.7Very low56.6Low185 Ų185108.3 Ų108.380%0.80461%0.605SS**PPolyproline II helixtrans-52.9134170.2-74.8-178.6177.3-179.50108.5P166 Q170P166-K168 PolarHBondContact O-N 2.97Å; K168-Q170 PolarHBondContact O-N 3.44Å
169P45.1Very low54.7Low126 Ų126115.1 Ų115.182%0.81864%0.641SS**THydrogen-bonded Turntrans-66.916.5-173.2-20.431.7000116.9
170Q43.9Very low53.7Low175 Ų175116.4 Ų116.482%0.81865%0.65SS**THydrogen-bonded Turntrans-105.22.8-161.7-78.8-179.8-12.100116.4K168K168-Q170 PolarHBondContact O-N 3.44Å
171E43.3Very low53.3Low193 Ų193116.5 Ų116.590%0.90265%0.651SS**  trans-138.535174-69.6-176163.100112.6Q173E171-Q173 PolarHBondContact O-N 2.81Å
172A39.1Very low53.4Low89 Ų89118.6 Ų118.674%0.73666%0.658SS**  trans-89.279168.700000109E174A172-E174 PolarHBondContact O-N 3.43Å
173Q38.4Very low53.7Low183 Ų183116.3 Ų116.386%0.85565%0.647SS**  trans-58.5130.8157.6-92-179.51.600108.3E171 G175E171-Q173 PolarHBondContact O-N 2.81Å; Q173-G175 PolarHBondContact O-N 3.22Å
174E32Very low54.4Low204 Ų204114.5 Ų114.595%0.95364%0.635SS**SBendtrans-55.5115.7-173.6-67.8172.7136.300111.4A172A172-E174 PolarHBondContact O-N 3.43Å
175G33.3Very low56.1Low60 Ų60109.9 Ų109.962%0.61960%0.597SS**SBendtrans119.3120.4168.200000114.6Q173Q173-G175 PolarHBondContact O-N 3.22Å
176Q35.1Very low57.8Low193 Ų193108.1 Ų108.190%0.90257%0.574SS**  trans80.548.1156.4-51.6173.7-8.400120.2
177L38.8Very low60.2Low133 Ų133101.8 Ų101.870%0.69653%0.533SS*.  trans-130.771.1160.6-80.8134.9000111
178A47.3Very low62.5Low70 Ų7096.1 Ų96.158%0.57952%0.516SS*.  trans-50.6144.5158.100000108.8N180A178-N180 PolarHBondContact O-N 3.4Å; A178-N180 PolarHBondContact O-OD1 3.43Å; A178-N180 VanDerWaalsContact O-OD1 3.11Å
179L55Low65.1Low144 Ų14487.8 Ų87.875%0.75448%0.483SS*.  trans-5577.5177.6-75.7131.3000111.6G181L179-G181 PolarHBondContact O-N 3.18Å
180N71Confident67.4Low75 Ų7582.1 Ų82.140%0.40145%0.446SS..  trans-80.9111-173-76.4-10.2000107.9A178A178-N180 PolarHBondContact O-N 3.4Å; A178-N180 PolarHBondContact O-OD1 3.43Å; A178-N180 VanDerWaalsContact O-OD1 3.11Å
181G85.3Confident69.6Low2 Ų278.3 Ų78.32%0.02143%0.427CS..EExtended strand (participates in β ladder)trans-84.3-179.6170.700000112.1V161 L179 G240 V241V161-G181 CarbonylContact O-C 3.6Å; V161-G181 WeakPolarHBondContact O-CA 3.43Å; L179-G181 PolarHBondContact O-N 3.18Å; G181-G240 PolarHBondContact O-N 2.75Å; G181-V241 CarbonylContact C-O 3.58Å; G181-V241 WeakPolarHBondContact CA-O 3.42Å; G181-V241 PolarHBondContact N-O 3.19Å; G181-V241 PolarHBondContact O-N 3.15Å; G181-V241 VanDerWaalsContact O-N 3.13Å
182Q91.5Very high71.6Confident81 Ų8170.5 Ų70.538%0.37939%0.391SS..EExtended strand (participates in β ladder)trans-124.6131.7172.4-56.1174.3-5900109.3V161 V237 F238 N239V161-Q182 HydrophobicContact CB-CB 4.19Å; V161-Q182 PolarHBondContact N-O 3.47Å; V161-Q182 PolarHBondContact O-N 3.26Å; Q182-V237 HydrophobicContact CB-CG1 4.26Å; Q182-F238 WeakPolarHBondContact CA-O 3.49Å; Q182-N239 PolarHBondContact NE2-OD1 3.29Å
183L93.2Very high74Confident1 Ų166.2 Ų66.21%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-94.5109.6167.7178.169.4000108.5L209 F238 V241 L246 W293 V296L183-L209 HydrophobicContact CD2-CD2 4.32Å; L183-F238 HydrophobicContact CB-CB 4.25Å; L183-F238 HydrophobicContact CB-CD2 4.31Å; L183-F238 HydrophobicContact CD2-CD2 3.98Å; L183-F238 HydrophobicContact CG-CD2 4.27Å; L183-F238 PolarHBondContact N-O 3.4Å; L183-F238 PolarHBondContact O-N 2.87Å; L183-V241 HydrophobicContact CB-CG2 4.05Å; L183-L246 HydrophobicContact CB-CD1 4.44Å; L183-L246 HydrophobicContact CD2-CD2 4.13Å; L183-W293 HydrophobicContact CD2-CH2 3.67Å; L183-W293 HydrophobicContact CD2-CZ3 4.19Å; L183-V296 HydrophobicContact CD1-CG1 4.16Å
184C94.4Very high76.3Confident22 Ų2258 Ų5815%0.14932%0.319CS..EExtended strand (participates in β ladder)trans-93.2129.1173.6-59.70000109.4A158 K159 W303A158-C184 CarbonylContact C-O 3.41Å; A158-C184 VanDerWaalsContact CA-O 3.3Å; A158-C184 WeakPolarHBondContact CA-O 3.17Å; K159-C184 HydrophobicContact CB-CB 4.43Å; K159-C184 PolarHBondContact N-O 2.81Å; K159-C184 PolarHBondContact O-N 3.25Å; C184-W303 HydrophobicContact CB-CH2 3.9Å; C184-W303 HydrophobicContact CB-CZ3 4.14Å
185L95.8Very high78.8Confident1 Ų149.1 Ų49.11%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-129.5123.1177.1178.172.2000109.2V156 R157 A158 S235 F236 L251 L253V156-L185 HydrophobicContact CB-CD1 4Å; V156-L185 HydrophobicContact CG2-CD1 4.22Å; R157-L185 CarbonylContact O-C 3.6Å; R157-L185 WeakPolarHBondContact O-CA 3.44Å; A158-L185 HydrophobicContact CB-CD1 3.94Å; L185-S235 CarbonylContact O-C 3.58Å; L185-S235 WeakPolarHBondContact O-CA 3.33Å; L185-F236 HydrophobicContact CB-CB 4.37Å; L185-F236 HydrophobicContact CD2-CD2 4.14Å; L185-F236 PolarHBondContact N-O 2.83Å; L185-F236 PolarHBondContact O-N 2.92Å; L185-L251 HydrophobicContact CD2-CD2 4.01Å; L185-L253 HydrophobicContact CD2-CD1 4.1Å; L185-L253 HydrophobicContact CD2-CD2 3.58Å; L185-L253 HydrophobicContact CD2-CG 4.41Å
186V96.7Very high81.1Confident20 Ų2047 Ų4712%0.12125%0.252CS..EExtended strand (participates in β ladder)trans-105.2117.2173.3-1720000108.5V156 R157 L188 H234 W303V156-V186 CarbonylContact C-O 3.55Å; V156-V186 VanDerWaalsContact CA-O 3.28Å; V156-V186 WeakPolarHBondContact CA-O 3.43Å; R157-V186 HydrophobicContact CB-CB 4.36Å; R157-V186 PolarHBondContact N-O 3.19Å; R157-V186 PolarHBondContact O-N 2.91Å; V186-L188 HydrophobicContact CG1-CD2 3.88Å; V186-L188 PolarHBondContact O-N 3.4Å; V186-H234 WeakPolarHBondContact CA-O 3.43Å; V186-W303 HydrophobicContact CG2-CH2 3.64Å; V186-W303 HydrophobicContact CG2-CZ3 3.82Å
187V96.4Very high83Confident0 Ų040.8 Ų40.80%023%0.229CC..EExtended strand (participates in β ladder)trans-86.8107.9172.4-178.20000107.9L154 V156 V205 W232 K233 H234 F236L154-V187 HydrophobicContact CD1-CG1 3.95Å; V156-V187 HydrophobicContact CG1-CG2 4.48Å; V187-V205 HydrophobicContact CG1-CB 4.32Å; V187-V205 HydrophobicContact CG1-CG1 4.38Å; V187-V205 HydrophobicContact CG1-CG2 3.9Å; V187-V205 HydrophobicContact CG2-CG1 4.29Å; V187-W232 HydrophobicContact CG1-CD2 4.45Å; V187-W232 HydrophobicContact CG1-CE3 3.84Å; V187-W232 HydrophobicContact CG1-CZ3 4.46Å; V187-K233 CarbonylContact O-C 3.55Å; V187-K233 WeakPolarHBondContact O-CA 3.43Å; V187-K233 PolarHBondContact O-N 2.95Å; V187-H234 PolarHBondContact N-O 3.15Å; V187-H234 PolarHBondContact O-N 2.98Å; V187-F236 HydrophobicContact CG2-CD2 3.91Å; V187-F236 HydrophobicContact CG2-CE2 3.62Å
188L95.8Very high85Confident62 Ų6238.5 Ų38.533%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-78.6-54.3-173.2-59.9172.1000110.8A155 V186 Q231 W232 K233A155-L188 HydrophobicContact CB-CB 4.18Å; A155-L188 HydrophobicContact CB-CD1 4.38Å; A155-L188 WeakPolarHBondContact O-CB 3.46Å; A155-L188 PolarHBondContact O-N 3.24Å; V186-L188 HydrophobicContact CG1-CD2 3.88Å; V186-L188 PolarHBondContact O-N 3.4Å; L188-Q231 CarbonylContact O-C 3.55Å; L188-Q231 WeakPolarHBondContact O-CA 3.35Å; L188-W232 PolarHBondContact O-N 2.94Å; L188-W232 VanDerWaalsContact O-N 3.15Å; L188-K233 PolarHBondContact O-N 2.92Å; L188-K233 VanDerWaalsContact O-N 3.1Å
189G95.1Very high86.5Confident10 Ų1035.8 Ų35.810%0.10320%0.197CC..EExtended strand (participates in β ladder)trans177.4175.7-176.400000112.4A155 P230A155-G189 PolarHBondContact N-O 3.46Å; A155-G189 PolarHBondContact O-N 2.85Å; G189-P230 CarbonylContact C-O 3.51Å; G189-P230 WeakPolarHBondContact CA-O 3.46Å
190A93.9Very high87.9Confident6 Ų630.4 Ų30.45%0.0517%0.17CC..EExtended strand (participates in β ladder)trans-134.8150.7174.900000111.7E153 L154 L193 C229 P230 W232E153-A190 CarbonylContact O-C 3.54Å; E153-A190 WeakPolarHBondContact O-CA 2.95Å; E153-A190 WeakPolarHBondContact O-CB 3.19Å; L154-A190 HydrophobicContact CD1-CB 3.95Å; A190-L193 HydrophobicContact CB-CD1 3.74Å; A190-L193 HydrophobicContact CB-CD2 4.13Å; A190-L193 HydrophobicContact CB-CG 3.98Å; A190-C229 PolarHBondContact O-SG 3.39Å; A190-C229 VanDerWaalsContact O-SG 3.36Å; A190-P230 HydrophobicContact CB-CG 4.23Å; A190-P230 PolarHBondContact N-O 3.46Å; A190-P230 WeakPolarHBondContact O-CD 3.32Å; A190-W232 HydrophobicContact CB-CH2 3.91Å; A190-W232 HydrophobicContact CB-CZ3 3.64Å
191K90.2Very high88.8Confident96 Ų9626.8 Ų26.842%0.41715%0.151SC..EExtended strand (participates in β ladder)trans-132.7161.3178.163.4179.9-177.3175.30110.4G152 E153 L193G152-K191 WeakPolarHBondContact CA-O 3.49Å; E153-K191 HydrophobicContact CB-CG 4Å; E153-K191 PolarHBondContact N-O 2.96Å; E153-K191 PolarHBondContact O-N 2.98Å; E153-K191 IonicContact OE1-NZ 2.76Å; E153-K191 WeakPolarHBondContact OE2-CE 3.4Å; E153-K191 IonicContact OE2-NZ 3.19Å; E153-K191 PolarHBondContact OE2-NZ 3.39Å; K191-L193 PolarHBondContact O-N 3.38Å
192N85.7Confident89.1Confident28 Ų2827.6 Ų27.615%0.1515%0.154CC..SBendtrans57.630.1179.1-56.3-26.7000114R93 G152R93-N192 PolarHBondContact NH1-O 2.55Å; R93-N192 VanDerWaalsContact NH2-C 3.3Å; R93-N192 PolarHBondContact NH2-O 3.21Å; G152-N192 VanDerWaalsContact CA-O 3.31Å; G152-N192 WeakPolarHBondContact CA-O 3.33Å
193L89.1Confident89.3Confident0 Ų023.7 Ų23.70%014%0.136CC..  trans-72.7151.1176.1-66.3178.1000112Q89 R93 N151 A190 K191 V195 L201 P230 V255 L268 L310Q89-L193 PolarHBondContact OE1-O 2.75Å; R93-L193 PolarHBondContact NH2-O 2.97Å; N151-L193 WeakPolarHBondContact O-CA 3.31Å; A190-L193 HydrophobicContact CB-CD1 3.74Å; A190-L193 HydrophobicContact CB-CD2 4.13Å; A190-L193 HydrophobicContact CB-CG 3.98Å; K191-L193 PolarHBondContact O-N 3.38Å; L193-V195 PolarHBondContact O-N 2.84Å; L193-L201 HydrophobicContact CB-CD1 3.82Å; L193-L201 HydrophobicContact CD1-CD1 3.96Å; L193-P230 HydrophobicContact CD1-CG 3.81Å; L193-V255 HydrophobicContact CD1-CG1 4.07Å; L193-V255 HydrophobicContact CD2-CG1 4.32Å; L193-L268 HydrophobicContact CD1-CD1 4.08Å; L193-L310 HydrophobicContact CD2-CD1 3.45Å; L193-L310 VanDerWaalsContact CD2-CD1 3.45Å
194P85.9Confident89.4Confident10 Ų1023.7 Ų23.77%0.06514%0.136CC..  trans-71.193.9171.826.1-31.3000110.9D57 N151 R266 L268D57-P194 HydrophobicContact CB-CB 3.7Å; N151-P194 WeakPolarHBondContact O-CD 3.41Å; P194-R266 PolarHBondContact O-NH2 3.18Å; P194-L268 HydrophobicContact CG-CB 4.27Å; P194-L268 HydrophobicContact CG-CD2 4Å; P194-L268 WeakPolarHBondContact O-CD2 3.4Å
195V84.8Confident89.5Confident17 Ų1722.6 Ų22.610%0.10313%0.129CC..  trans-70.2163.2179.5-62.80000113L193 L201 A228L193-V195 PolarHBondContact O-N 2.84Å; V195-L201 HydrophobicContact CB-CG 4.28Å; V195-L201 HydrophobicContact CG1-CD1 3.91Å; V195-L201 HydrophobicContact CG1-CG 4.06Å; V195-A228 HydrophobicContact CG1-CB 4.14Å
196R82.9Confident89.6Confident16 Ų1625.8 Ų25.86%0.0614%0.143CC..  trans-71.7178172.7-67.7179.1-179.5141.1-3.4111.7D198 G199 T200 L201 N202 D257 Q258R196-D198 VanDerWaalsContact CB-OD1 3.3Å; R196-D198 WeakPolarHBondContact CB-OD1 3.43Å; R196-D198 PolarHBondContact O-N 2.85Å; R196-G199 PolarHBondContact O-N 3.03Å; R196-T200 VanDerWaalsContact CB-O 3.28Å; R196-T200 WeakPolarHBondContact CB-O 3.2Å; R196-T200 WeakPolarHBondContact CG-O 3.35Å; R196-T200 PolarHBondContact N-O 2.88Å; R196-T200 VanDerWaalsContact N-O 3.09Å; R196-L201 HydrophobicContact CG-CD2 4.3Å; R196-N202 PolarHBondContact NH1-ND2 2.88Å; R196-D257 IonicContact CZ-OD1 2.68Å; R196-D257 IonicContact CZ-OD2 3.03Å; R196-D257 IonicContact NE-OD1 3.29Å; R196-D257 PolarHBondContact NE-OD1 3.46Å; R196-D257 IonicContact NE-OD2 3.42Å; R196-D257 PolarHBondContact NE-OD2 2.83Å; R196-D257 IonicContact NH1-OD1 3.49Å; R196-D257 PolarHBondContact NH1-OD1 2.97Å; R196-D257 IonicContact NH2-OD1 3.81Å; R196-D257 PolarHBondContact NH2-OD1 2.93Å; R196-D257 IonicContact NH2-OD2 2.88Å; R196-D257 PolarHBondContact NH2-OD2 2.83Å; R196-Q258 PolarHBondContact NH2-O 2.95Å
197S74.4Confident89.5Confident62 Ų6224.9 Ų24.943%0.43414%0.137SC..THydrogen-bonded Turntrans-58.3-27.817851.80000115.4Q84 G199Q84-S197 WeakPolarHBondContact CG-O 3.12Å; S197-G199 VanDerWaalsContact C-N 3.28Å
198D80Confident89.5Confident85 Ų8525.4 Ų25.446%0.45514%0.141SC..THydrogen-bonded Turntrans-84.70.6176.869.3-17.1000113.1R196 T200R196-D198 VanDerWaalsContact CB-OD1 3.3Å; R196-D198 WeakPolarHBondContact CB-OD1 3.43Å; R196-D198 PolarHBondContact O-N 2.85Å; D198-T200 VanDerWaalsContact C-N 3.3Å; D198-T200 VanDerWaalsContact CG-OG1 3.32Å; D198-T200 PolarHBondContact OD1-N 2.84Å; D198-T200 PolarHBondContact OD1-OG1 3.1Å; D198-T200 PolarHBondContact OD2-OG1 2.75Å
199G79.1Confident89.4Confident14 Ų1422.5 Ų22.514%0.14413%0.126CC..SBendtrans81.94.1-177.400000114R196 S197 A228R196-G199 PolarHBondContact O-N 3.03Å; S197-G199 VanDerWaalsContact C-N 3.28Å; G199-A228 WeakPolarHBondContact O-CB 3.35Å
200T85.9Confident89.3Confident30 Ų3023.5 Ų23.518%0.18413%0.13CC..  trans-120.3165.8-175.6850000113.3R196 D198 K226R196-T200 VanDerWaalsContact CB-O 3.28Å; R196-T200 WeakPolarHBondContact CB-O 3.2Å; R196-T200 WeakPolarHBondContact CG-O 3.35Å; R196-T200 PolarHBondContact N-O 2.88Å; R196-T200 VanDerWaalsContact N-O 3.09Å; D198-T200 VanDerWaalsContact C-N 3.3Å; D198-T200 VanDerWaalsContact CG-OG1 3.32Å; D198-T200 PolarHBondContact OD1-N 2.84Å; D198-T200 PolarHBondContact OD1-OG1 3.1Å; D198-T200 PolarHBondContact OD2-OG1 2.75Å; T200-K226 HydrophobicContact CG2-CB 4.5Å
201L89.1Confident89.2Confident0 Ų023.5 Ų23.50%013%0.129CC..EExtended strand (participates in β ladder)trans-135.1150.8175-66165.3000110.5L193 V195 R196 K225 K226 Q227 D257 R266 L268L193-L201 HydrophobicContact CB-CD1 3.82Å; L193-L201 HydrophobicContact CD1-CD1 3.96Å; V195-L201 HydrophobicContact CB-CG 4.28Å; V195-L201 HydrophobicContact CG1-CD1 3.91Å; V195-L201 HydrophobicContact CG1-CG 4.06Å; R196-L201 HydrophobicContact CG-CD2 4.3Å; L201-K225 CarbonylContact O-C 3.54Å; L201-K226 WeakPolarHBondContact O-CA 3.42Å; L201-K226 PolarHBondContact O-N 3.1Å; L201-Q227 WeakPolarHBondContact CB-O 3.37Å; L201-Q227 PolarHBondContact N-O 3.37Å; L201-Q227 PolarHBondContact O-N 2.9Å; L201-D257 HydrophobicContact CD2-CB 3.88Å; L201-D257 VanDerWaalsContact CD2-CG 3.43Å; L201-R266 VanDerWaalsContact CD2-NH2 3.29Å; L201-L268 HydrophobicContact CD1-CD1 3.63Å; L201-L268 HydrophobicContact CD2-CD1 3.95Å; L201-L268 HydrophobicContact CD2-CD2 3.98Å; L201-L268 HydrophobicContact CG-CD1 4.34Å
202N92.1Very high89.1Confident18 Ų1821.4 Ų21.410%0.09613%0.125CC..EExtended strand (participates in β ladder)trans-101.573.9163.4-64.6-29.8000108.5R196 V223 L224 K225 K226 D257 Q258R196-N202 PolarHBondContact NH1-ND2 2.88Å; N202-V223 HydrophobicContact CB-CG1 4.1Å; N202-V223 WeakPolarHBondContact O-CG1 3.37Å; N202-L224 CarbonylContact C-O 3.55Å; N202-L224 VanDerWaalsContact C-O 3.29Å; N202-L224 VanDerWaalsContact CA-O 3.25Å; N202-L224 WeakPolarHBondContact CA-O 3.41Å; N202-K225 WeakPolarHBondContact OD1-CA 3.38Å; N202-K226 PolarHBondContact OD1-N 2.79Å; N202-K226 VanDerWaalsContact OD1-N 3.11Å; N202-D257 PolarHBondContact N-OD1 2.68Å; N202-Q258 HydrophobicContact CB-CB 3.94Å; N202-Q258 VanDerWaalsContact O-CB 3.3Å; N202-Q258 WeakPolarHBondContact O-CB 3.26Å; N202-Q258 PolarHBondContact O-N 2.86Å
203S94.2Very high89.3Confident0 Ų024.8 Ų24.80%014%0.144CC..EExtended strand (participates in β ladder)trans-92.9144.2-160.965.80000114.2V223 L224 P230 W232 W256S203-V223 WeakPolarHBondContact O-CA 3.37Å; S203-L224 PolarHBondContact N-O 3.27Å; S203-L224 PolarHBondContact O-N 2.79Å; S203-P230 WeakPolarHBondContact OG-CB 3.48Å; S203-P230 WeakPolarHBondContact OG-CG 3.13Å; S203-W232 PolarHBondContact O-NE1 2.9Å; S203-W232 VanDerWaalsContact O-NE1 3.11Å; S203-W232 VanDerWaalsContact OG-CZ2 3.28Å; S203-W232 WeakPolarHBondContact OG-CZ2 3.41Å; S203-W256 CarbonylContact C-O 3.45Å; S203-W256 WeakPolarHBondContact CA-O 3.06Å
204F96.3Very high89.3Confident0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-146.3161.2172.165.9-91.8000111K206 K220 V223 W256 Q258 D265F204-K206 HydrophobicContact CD2-CG 4.19Å; F204-K206 HydrophobicContact CE2-CD 3.89Å; F204-K206 VanDerWaalsContact CE2-CE 3.49Å; F204-K206 HydrophobicContact CE2-CG 3.86Å; F204-K220 HydrophobicContact CD2-CD 4.24Å; F204-K220 HydrophobicContact CD2-CG 4.01Å; F204-K220 HydrophobicContact CE2-CD 4.38Å; F204-K220 HydrophobicContact CE2-CG 4.48Å; F204-V223 HydrophobicContact CB-CB 4.48Å; F204-V223 HydrophobicContact CB-CG2 4.01Å; F204-V223 HydrophobicContact CD1-CG1 4.45Å; F204-V223 HydrophobicContact CD1-CG2 3.87Å; F204-V223 HydrophobicContact CG-CG2 4.19Å; F204-W256 HydrophobicContact CD1-CB 4.1Å; F204-W256 HydrophobicContact CD2-CB 4Å; F204-W256 HydrophobicContact CD2-CG 4.42Å; F204-W256 HydrophobicContact CE1-CB 3.59Å; F204-W256 HydrophobicContact CE2-CB 3.43Å; F204-W256 VanDerWaalsContact CE2-CB 3.43Å; F204-W256 AromaticContact CE2-CD1 3.76Å; F204-W256 AromaticContact CE2-CG 3.61Å; F204-W256 HydrophobicContact CE2-CG 3.61Å; F204-W256 HydrophobicContact CG-CB 4.31Å; F204-W256 HydrophobicContact CZ-CB 3.24Å; F204-W256 HydrophobicContact CZ-CD2 4.4Å; F204-W256 AromaticContact CZ-CG 3.7Å; F204-W256 HydrophobicContact CZ-CG 3.7Å; F204-W256 PolarHBondContact N-O 3.07Å; F204-W256 PolarHBondContact O-N 3.39Å; F204-Q258 HydrophobicContact CD1-CB 4.06Å; F204-Q258 HydrophobicContact CE1-CB 3.88Å; F204-D265 HydrophobicContact CZ-CB 4.37Å; F204-D265 VanDerWaalsContact CZ-OD2 3.27Å; F204-D265 WeakPolarHBondContact CZ-OD2 3.02Å
205V97.1Very high89.5Confident0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-114.6136.1179.1-176.50000109.8L154 V187 K220 S221 W232 F236 T254 V255L154-V205 HydrophobicContact CD1-CG2 4.33Å; V187-V205 HydrophobicContact CG1-CB 4.32Å; V187-V205 HydrophobicContact CG1-CG1 4.38Å; V187-V205 HydrophobicContact CG1-CG2 3.9Å; V187-V205 HydrophobicContact CG2-CG1 4.29Å; V205-K220 CarbonylContact O-C 3.44Å; V205-K220 WeakPolarHBondContact O-CA 3.24Å; V205-S221 PolarHBondContact N-OG 2.76Å; V205-S221 PolarHBondContact O-N 2.85Å; V205-W232 HydrophobicContact CG2-CD2 3.9Å; V205-W232 HydrophobicContact CG2-CE3 3.86Å; V205-W232 HydrophobicContact CG2-CH2 3.66Å; V205-W232 HydrophobicContact CG2-CZ2 3.7Å; V205-W232 HydrophobicContact CG2-CZ3 3.74Å; V205-F236 HydrophobicContact CG1-CE2 4.44Å; V205-T254 WeakPolarHBondContact CA-O 3.46Å; V205-V255 HydrophobicContact CG2-CG1 4.48Å; V205-V255 HydrophobicContact CG2-CG2 4.19Å
206K97Very high89.9Confident67 Ų6740.4 Ų40.429%0.29121%0.213SC..EExtended strand (participates in β ladder)trans-109.7132.2168.1-75.3169.1176.71560108.5F204 V219 K220 L253 T254F204-K206 HydrophobicContact CD2-CG 4.19Å; F204-K206 HydrophobicContact CE2-CD 3.89Å; F204-K206 VanDerWaalsContact CE2-CE 3.49Å; F204-K206 HydrophobicContact CE2-CG 3.86Å; K206-V219 CarbonylContact C-O 3.36Å; K206-V219 WeakPolarHBondContact CA-O 3.37Å; K206-K220 HydrophobicContact CG-CB 4.33Å; K206-K220 HydrophobicContact CG-CG 4.01Å; K206-L253 WeakPolarHBondContact O-CA 3.38Å; K206-T254 WeakPolarHBondContact CB-OG1 3.44Å; K206-T254 PolarHBondContact N-O 2.82Å; K206-T254 PolarHBondContact O-N 3.09Å; K206-T254 PolarHBondContact O-OG1 2.81Å
207G95.6Very high90.4Very high1 Ų141.8 Ų41.81%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-107.5135.6169.100000110.5R218 V219 E252G207-R218 CarbonylContact O-C 3.56Å; G207-R218 WeakPolarHBondContact O-CA 3.44Å; G207-V219 PolarHBondContact N-O 2.84Å; G207-V219 WeakPolarHBondContact O-CG2 3.37Å; G207-V219 PolarHBondContact O-N 3.32Å; G207-E252 CarbonylContact C-O 3.57Å; G207-E252 WeakPolarHBondContact CA-O 3.36Å
208C95.2Very high91.4Very high12 Ų1247.5 Ų47.58%0.08123%0.233CC..EExtended strand (participates in β ladder)trans-131.8107.6175.2-173.20000109.7L217 R218 E252C208-L217 CarbonylContact C-O 3.52Å; C208-L217 WeakPolarHBondContact CA-O 3.17Å; C208-R218 HydrophobicContact CB-CG 4.48Å; C208-E252 HydrophobicContact CB-CB 4.4Å; C208-E252 PolarHBondContact N-O 3.29Å; C208-E252 PolarHBondContact O-N 2.92Å
209L94.2Very high92.2Very high0 Ų045.1 Ų45.10%022%0.222CC..EExtended strand (participates in β ladder)trans-91.3115.6171.9-178.465.3000109L183 L211 K216 L217 F238 V241 L246 L251 W293L183-L209 HydrophobicContact CD2-CD2 4.32Å; L209-L211 HydrophobicContact CD2-CD2 4.07Å; L209-L211 HydrophobicContact CG-CD2 4.17Å; L209-K216 WeakPolarHBondContact O-CA 3.22Å; L209-L217 HydrophobicContact CB-CB 4.34Å; L209-L217 HydrophobicContact CD2-CD1 4.37Å; L209-L217 PolarHBondContact N-O 3.2Å; L209-L217 PolarHBondContact O-N 3.16Å; L209-F238 HydrophobicContact CB-CD1 3.85Å; L209-F238 HydrophobicContact CB-CE1 3.72Å; L209-F238 HydrophobicContact CB-CE2 4.46Å; L209-F238 HydrophobicContact CB-CG 4.27Å; L209-F238 HydrophobicContact CB-CZ 4.04Å; L209-F238 HydrophobicContact CD2-CB 3.9Å; L209-F238 HydrophobicContact CD2-CD1 4.12Å; L209-F238 HydrophobicContact CD2-CD2 4.31Å; L209-F238 HydrophobicContact CD2-CG 3.85Å; L209-V241 HydrophobicContact CD2-CG1 3.98Å; L209-L246 HydrophobicContact CD1-CD2 4.26Å; L209-L246 HydrophobicContact CD2-CD2 3.97Å; L209-L251 HydrophobicContact CB-CD1 4.36Å; L209-L251 HydrophobicContact CD1-CB 4.12Å; L209-W293 HydrophobicContact CD1-CH2 4.48Å
210T93.6Very high93Very high32 Ų3249.3 Ų49.320%0.19624%0.236CC..EExtended strand (participates in β ladder)trans-97.9115.5174.9-52.80000108.9Q215 K216 S249 T250T210-Q215 WeakPolarHBondContact CA-O 3.47Å; T210-K216 HydrophobicContact CG2-CG 4.27Å; T210-S249 VanDerWaalsContact O-CA 3.23Å; T210-S249 WeakPolarHBondContact O-CA 3.14Å; T210-S249 VanDerWaalsContact O-CB 3.26Å; T210-S249 WeakPolarHBondContact O-CB 3.48Å; T210-T250 PolarHBondContact N-O 3.39Å; T210-T250 PolarHBondContact O-N 2.83Å
211L91.3Very high93.5Very high6 Ų648.1 Ų48.13%0.03123%0.229CC..  trans-83.3166.3178.7-63.3-178.9000111.4L209 N213 Q214 Q215 L217 V241 S249L209-L211 HydrophobicContact CD2-CD2 4.07Å; L209-L211 HydrophobicContact CG-CD2 4.17Å; L211-N213 WeakPolarHBondContact CB-OD1 3.36Å; L211-N213 PolarHBondContact O-N 2.98Å; L211-Q214 PolarHBondContact O-N 2.82Å; L211-Q215 HydrophobicContact CB-CB 4.43Å; L211-Q215 HydrophobicContact CD1-CB 4.39Å; L211-Q215 PolarHBondContact N-O 3.43Å; L211-L217 HydrophobicContact CD1-CD1 4.22Å; L211-L217 HydrophobicContact CD1-CG 4.49Å; L211-V241 HydrophobicContact CD2-CG1 4.05Å; L211-S249 WeakPolarHBondContact CD2-OG 3.45Å
212P88.5Confident93.8Very high51 Ų5151.7 Ų51.733%0.33125%0.252SS..THydrogen-bonded Turntrans-61.7-30.3-177-25.837.8000114Q214 Q245 Q248P212-Q214 PolarHBondContact O-N 3.19Å; P212-Q245 HydrophobicContact CG-CB 4.47Å; P212-Q248 HydrophobicContact CB-CB 4.3Å; P212-Q248 HydrophobicContact CG-CB 3.6Å
213N89.9Confident94Very high100 Ų10052.6 Ų52.654%0.53526%0.258SS..THydrogen-bonded Turntrans-7612.6174.267.6-10.1000113.6L211 Q215L211-N213 WeakPolarHBondContact CB-OD1 3.36Å; L211-N213 PolarHBondContact O-N 2.98Å; N213-Q215 PolarHBondContact ND2-OE1 3.31Å; N213-Q215 PolarHBondContact O-N 2.87Å; N213-Q215 VanDerWaalsContact O-N 3.13Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.14Å; N213-Q215 PolarHBondContact OD1-N 3.26Å
214Q88.2Confident93.9Very high142 Ų14254.6 Ų54.666%0.66427%0.269SS*.SBendtrans65.24.5-175-58.1-64.5-45.700115.4L211 P212 K216L211-Q214 PolarHBondContact O-N 2.82Å; P212-Q214 PolarHBondContact O-N 3.19Å; Q214-K216 PolarHBondContact O-N 2.99Å
215Q91.3Very high93.7Very high100 Ų10061.6 Ų61.647%0.46730%0.299SS..  trans-66.3132.6173.9-171.6178.81500110.1T210 L211 N213 L217T210-Q215 WeakPolarHBondContact CA-O 3.47Å; L211-Q215 HydrophobicContact CB-CB 4.43Å; L211-Q215 HydrophobicContact CD1-CB 4.39Å; L211-Q215 PolarHBondContact N-O 3.43Å; N213-Q215 PolarHBondContact ND2-OE1 3.31Å; N213-Q215 PolarHBondContact O-N 2.87Å; N213-Q215 VanDerWaalsContact O-N 3.13Å; N213-Q215 WeakPolarHBondContact OD1-CB 3.14Å; N213-Q215 PolarHBondContact OD1-N 3.26Å; Q215-L217 HydrophobicContact CG-CD2 4.43Å
216K92.9Very high93.3Very high113 Ų11369.4 Ų69.449%0.49133%0.333SS..EExtended strand (participates in β ladder)trans-109.7113.7179.8-67.5-176179.6-177.80110.4L209 T210 Q214L209-K216 WeakPolarHBondContact O-CA 3.22Å; T210-K216 HydrophobicContact CG2-CG 4.27Å; Q214-K216 PolarHBondContact O-N 2.99Å
217L93.1Very high92.8Very high45 Ų4570 Ų7024%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-92.2120.1171.5-54.1178.8000108.5C208 L209 L211 Q215 F238 V241C208-L217 CarbonylContact C-O 3.52Å; C208-L217 WeakPolarHBondContact CA-O 3.17Å; L209-L217 HydrophobicContact CB-CB 4.34Å; L209-L217 HydrophobicContact CD2-CD1 4.37Å; L209-L217 PolarHBondContact N-O 3.2Å; L209-L217 PolarHBondContact O-N 3.16Å; L211-L217 HydrophobicContact CD1-CD1 4.22Å; L211-L217 HydrophobicContact CD1-CG 4.49Å; Q215-L217 HydrophobicContact CG-CD2 4.43Å; L217-F238 HydrophobicContact CB-CD1 3.66Å; L217-F238 HydrophobicContact CB-CE1 3.99Å; L217-F238 HydrophobicContact CD1-CB 4.36Å; L217-F238 HydrophobicContact CD1-CD1 4.18Å; L217-F238 WeakPolarHBondContact O-CE1 3.29Å; L217-V241 HydrophobicContact CD1-CG1 4.23Å
218R95.4Very high92.1Very high182 Ų18271.9 Ų71.969%0.68735%0.352SS*.EExtended strand (participates in β ladder)trans-116.4137.2-173.5-63178.1-174.5-109.69.3111G207 C208G207-R218 CarbonylContact O-C 3.56Å; G207-R218 WeakPolarHBondContact O-CA 3.44Å; C208-R218 HydrophobicContact CB-CG 4.48Å
219V96.1Very high91.8Very high34 Ų3474.8 Ų74.821%0.20637%0.372CS..EExtended strand (participates in β ladder)trans-136153.1178.5-66.40000109.5K206 G207 F236 F238K206-V219 CarbonylContact C-O 3.36Å; K206-V219 WeakPolarHBondContact CA-O 3.37Å; G207-V219 PolarHBondContact N-O 2.84Å; G207-V219 WeakPolarHBondContact O-CG2 3.37Å; G207-V219 PolarHBondContact O-N 3.32Å; V219-F236 HydrophobicContact CB-CB 4.31Å; V219-F236 HydrophobicContact CB-CD1 3.55Å; V219-F236 HydrophobicContact CB-CD2 4.5Å; V219-F236 HydrophobicContact CB-CE1 3.86Å; V219-F236 HydrophobicContact CB-CG 3.89Å; V219-F236 HydrophobicContact CB-CZ 4.47Å; V219-F236 HydrophobicContact CG1-CB 4.47Å; V219-F236 HydrophobicContact CG1-CD1 4.34Å; V219-F236 HydrophobicContact CG2-CB 3.83Å; V219-F236 HydrophobicContact CG2-CD1 3.58Å; V219-F236 HydrophobicContact CG2-CD2 3.62Å; V219-F236 HydrophobicContact CG2-CE1 3.93Å; V219-F236 HydrophobicContact CG2-CE2 3.97Å; V219-F236 HydrophobicContact CG2-CG 3.4Å; V219-F236 HydrophobicContact CG2-CZ 4.11Å; V219-F238 HydrophobicContact CG1-CE1 3.94Å; V219-F238 HydrophobicContact CG1-CZ 4.28Å; V219-F238 HydrophobicContact CG2-CE1 3.99Å; V219-F238 HydrophobicContact CG2-CE2 4.45Å; V219-F238 HydrophobicContact CG2-CZ 3.58Å
220K96.3Very high91.6Very high102 Ų10274.8 Ų74.844%0.44337%0.372SS..EExtended strand (participates in β ladder)trans-142136-178.3-173.8-172.6173.6179.90110.2F204 V205 K206 F236F204-K220 HydrophobicContact CD2-CD 4.24Å; F204-K220 HydrophobicContact CD2-CG 4.01Å; F204-K220 HydrophobicContact CE2-CD 4.38Å; F204-K220 HydrophobicContact CE2-CG 4.48Å; V205-K220 CarbonylContact O-C 3.44Å; V205-K220 WeakPolarHBondContact O-CA 3.24Å; K206-K220 HydrophobicContact CG-CB 4.33Å; K206-K220 HydrophobicContact CG-CG 4.01Å; K220-F236 VanDerWaalsContact C-CE1 3.42Å
221S96.3Very high91.6Very high6 Ų679 Ų794%0.04239%0.389CS..PPolyproline II helixtrans-78.1163.1175.376.30000111.5V205V205-S221 PolarHBondContact N-OG 2.76Å; V205-S221 PolarHBondContact O-N 2.85Å
222P95.6Very high91.8Very high75 Ų7579.6 Ų79.649%0.48739%0.391SS..PPolyproline II helixtrans-54.7154.1160.1-23.234.1000111.5
223V95.2Very high92.1Very high37 Ų3784 Ų8422%0.22441%0.405CS..PPolyproline II helixtrans-87.5122.8175-174.10000109.2N202 S203 F204 K225 Q258N202-V223 HydrophobicContact CB-CG1 4.1Å; N202-V223 WeakPolarHBondContact O-CG1 3.37Å; S203-V223 WeakPolarHBondContact O-CA 3.37Å; F204-V223 HydrophobicContact CB-CB 4.48Å; F204-V223 HydrophobicContact CB-CG2 4.01Å; F204-V223 HydrophobicContact CD1-CG1 4.45Å; F204-V223 HydrophobicContact CD1-CG2 3.87Å; F204-V223 HydrophobicContact CG-CG2 4.19Å; V223-K225 HydrophobicContact CG1-CG 4.4Å; V223-Q258 HydrophobicContact CG1-CB 4.04Å
224L93.7Very high92.3Very high42 Ų4281.9 Ų81.922%0.2239%0.392CS..EExtended strand (participates in β ladder)trans-92.4117.3171.1-63.4-178.3000109.2N202 S203 P230 W232N202-L224 CarbonylContact C-O 3.55Å; N202-L224 VanDerWaalsContact C-O 3.29Å; N202-L224 VanDerWaalsContact CA-O 3.25Å; N202-L224 WeakPolarHBondContact CA-O 3.41Å; S203-L224 PolarHBondContact N-O 3.27Å; S203-L224 PolarHBondContact O-N 2.79Å; L224-P230 HydrophobicContact CD1-CB 3.92Å; L224-W232 HydrophobicContact CD1-CB 4.4Å; L224-W232 HydrophobicContact CD1-CD2 4.23Å; L224-W232 HydrophobicContact CD1-CG 3.83Å; L224-W232 HydrophobicContact CG-CG 4.38Å
225K92.2Very high92.7Very high146 Ų14678.5 Ų78.564%0.63538%0.384SS*.EExtended strand (participates in β ladder)trans-92.8141.9-173.1-63.6-178.8-178.2177.60111.5L201 N202 V223 Q227L201-K225 CarbonylContact O-C 3.54Å; N202-K225 WeakPolarHBondContact OD1-CA 3.38Å; V223-K225 HydrophobicContact CG1-CG 4.4Å; K225-Q227 PolarHBondContact O-N 3.38Å
226K88Confident92.9Very high164 Ų16474.1 Ų74.171%0.71336%0.363SS*.EExtended strand (participates in β ladder)trans54.444.8173.8-57.9-177.4175.6-176.80114.4T200 L201 N202T200-K226 HydrophobicContact CG2-CB 4.5Å; L201-K226 WeakPolarHBondContact O-CA 3.42Å; L201-K226 PolarHBondContact O-N 3.1Å; N202-K226 PolarHBondContact OD1-N 2.79Å; N202-K226 VanDerWaalsContact OD1-N 3.11Å
227Q86.3Confident93Very high80 Ų8071.8 Ų71.837%0.37436%0.359SS..EExtended strand (participates in β ladder)trans-122138.9176.8-65.9-168.7-40.700111.6L201 K225L201-Q227 WeakPolarHBondContact CB-O 3.37Å; L201-Q227 PolarHBondContact N-O 3.37Å; L201-Q227 PolarHBondContact O-N 2.9Å; K225-Q227 PolarHBondContact O-N 3.38Å
228A81.7Confident92.9Very high40 Ų4069.9 Ų69.933%0.33135%0.348SS..SBendtrans-87.4-31.417500000112.7V195 G199V195-A228 HydrophobicContact CG1-CB 4.14Å; G199-A228 WeakPolarHBondContact O-CB 3.35Å
229C87.5Confident92.7Very high74 Ų7465.9 Ų65.950%0.534%0.341SS..SBendtrans-126.281.3-179.8-1710000108.9A190A190-C229 PolarHBondContact O-SG 3.39Å; A190-C229 VanDerWaalsContact O-SG 3.36Å
230P91.3Very high92.1Very high0 Ų066 Ų660%035%0.348CS..  trans-68.7138.7-173.727.6-35.9000112.5G189 A190 L193 S203 L224 W232G189-P230 CarbonylContact C-O 3.51Å; G189-P230 WeakPolarHBondContact CA-O 3.46Å; A190-P230 HydrophobicContact CB-CG 4.23Å; A190-P230 PolarHBondContact N-O 3.46Å; A190-P230 WeakPolarHBondContact O-CD 3.32Å; L193-P230 HydrophobicContact CD1-CG 3.81Å; S203-P230 WeakPolarHBondContact OG-CB 3.48Å; S203-P230 WeakPolarHBondContact OG-CG 3.13Å; L224-P230 HydrophobicContact CD1-CB 3.92Å; P230-W232 HydrophobicContact CB-CD2 4.24Å; P230-W232 HydrophobicContact CB-CE3 4.29Å; P230-W232 HydrophobicContact CB-CH2 3.71Å; P230-W232 HydrophobicContact CB-CZ2 3.62Å; P230-W232 HydrophobicContact CB-CZ3 4.03Å; P230-W232 HydrophobicContact CG-CE3 4.44Å; P230-W232 HydrophobicContact CG-CH2 3.22Å; P230-W232 HydrophobicContact CG-CZ2 3.59Å; P230-W232 HydrophobicContact CG-CZ3 3.7Å
231Q93.7Very high91.7Very high119 Ų11961.1 Ų61.156%0.55633%0.327SS*.  trans-122.385.8174.2-65.7-170.6-11.700110L188L188-Q231 CarbonylContact O-C 3.55Å; L188-Q231 WeakPolarHBondContact O-CA 3.35Å
232W94.8Very high91.2Very high20 Ų2061.6 Ų61.68%0.07633%0.331CS..  trans-68.2-37.4-177.5-63-83.6000113.3L154 V187 L188 A190 S203 V205 L224 P230 H234 V255L154-W232 HydrophobicContact CD1-CZ3 3.92Å; V187-W232 HydrophobicContact CG1-CD2 4.45Å; V187-W232 HydrophobicContact CG1-CE3 3.84Å; V187-W232 HydrophobicContact CG1-CZ3 4.46Å; L188-W232 PolarHBondContact O-N 2.94Å; L188-W232 VanDerWaalsContact O-N 3.15Å; A190-W232 HydrophobicContact CB-CH2 3.91Å; A190-W232 HydrophobicContact CB-CZ3 3.64Å; S203-W232 PolarHBondContact O-NE1 2.9Å; S203-W232 VanDerWaalsContact O-NE1 3.11Å; S203-W232 VanDerWaalsContact OG-CZ2 3.28Å; S203-W232 WeakPolarHBondContact OG-CZ2 3.41Å; V205-W232 HydrophobicContact CG2-CD2 3.9Å; V205-W232 HydrophobicContact CG2-CE3 3.86Å; V205-W232 HydrophobicContact CG2-CH2 3.66Å; V205-W232 HydrophobicContact CG2-CZ2 3.7Å; V205-W232 HydrophobicContact CG2-CZ3 3.74Å; L224-W232 HydrophobicContact CD1-CB 4.4Å; L224-W232 HydrophobicContact CD1-CD2 4.23Å; L224-W232 HydrophobicContact CD1-CG 3.83Å; L224-W232 HydrophobicContact CG-CG 4.38Å; P230-W232 HydrophobicContact CB-CD2 4.24Å; P230-W232 HydrophobicContact CB-CE3 4.29Å; P230-W232 HydrophobicContact CB-CH2 3.71Å; P230-W232 HydrophobicContact CB-CZ2 3.62Å; P230-W232 HydrophobicContact CB-CZ3 4.03Å; P230-W232 HydrophobicContact CG-CE3 4.44Å; P230-W232 HydrophobicContact CG-CH2 3.22Å; P230-W232 HydrophobicContact CG-CZ2 3.59Å; P230-W232 HydrophobicContact CG-CZ3 3.7Å; W232-H234 HydrophobicContact CB-CB 4.03Å; W232-H234 PolarHBondContact O-N 2.99Å; W232-V255 HydrophobicContact CH2-CG1 3.78Å; W232-V255 HydrophobicContact CZ2-CG1 4.2Å
233K94.6Very high90.7Very high143 Ų14359.3 Ų59.362%0.62232%0.316SS*.  trans43.338.5-172.8-59.2178.4-177.2174.40112.4V187 L188V187-K233 CarbonylContact O-C 3.55Å; V187-K233 WeakPolarHBondContact O-CA 3.43Å; V187-K233 PolarHBondContact O-N 2.95Å; L188-K233 PolarHBondContact O-N 2.92Å; L188-K233 VanDerWaalsContact O-N 3.1Å
234H95.2Very high90.2Very high55 Ų5560.9 Ų60.926%0.25533%0.329SS..EExtended strand (participates in β ladder)trans-106.7136.1-167.5-176.572.8000111V186 V187 W232 F236V186-H234 WeakPolarHBondContact CA-O 3.43Å; V187-H234 PolarHBondContact N-O 3.15Å; V187-H234 PolarHBondContact O-N 2.98Å; W232-H234 HydrophobicContact CB-CB 4.03Å; W232-H234 PolarHBondContact O-N 2.99Å; H234-F236 AromaticContact CD2-CD1 3.65Å; H234-F236 AromaticContact CD2-CE1 3.22Å; H234-F236 WeakPolarHBondContact CD2-CE1 3.48Å; H234-F236 AromaticContact CD2-CZ 3.81Å; H234-F236 AromaticContact NE2-CD1 3.72Å; H234-F236 AromaticContact NE2-CE1 3.41Å; H234-F236 WeakPolarHBondContact NE2-CE1 3.21Å
235S95.9Very high90Very high72 Ų7261.6 Ų61.650%0.50333%0.331SS..EExtended strand (participates in β ladder)trans-99.6127.8-177-56.20000111.9L185L185-S235 CarbonylContact O-C 3.58Å; L185-S235 WeakPolarHBondContact O-CA 3.33Å
236F95.6Very high89.8Confident7 Ų754.7 Ų54.73%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-104142.6166.2-60.3-43.6000110L185 V187 V205 V219 K220 H234L185-F236 HydrophobicContact CB-CB 4.37Å; L185-F236 HydrophobicContact CD2-CD2 4.14Å; L185-F236 PolarHBondContact N-O 2.83Å; L185-F236 PolarHBondContact O-N 2.92Å; V187-F236 HydrophobicContact CG2-CD2 3.91Å; V187-F236 HydrophobicContact CG2-CE2 3.62Å; V205-F236 HydrophobicContact CG1-CE2 4.44Å; V219-F236 HydrophobicContact CB-CB 4.31Å; V219-F236 HydrophobicContact CB-CD1 3.55Å; V219-F236 HydrophobicContact CB-CD2 4.5Å; V219-F236 HydrophobicContact CB-CE1 3.86Å; V219-F236 HydrophobicContact CB-CG 3.89Å; V219-F236 HydrophobicContact CB-CZ 4.47Å; V219-F236 HydrophobicContact CG1-CB 4.47Å; V219-F236 HydrophobicContact CG1-CD1 4.34Å; V219-F236 HydrophobicContact CG2-CB 3.83Å; V219-F236 HydrophobicContact CG2-CD1 3.58Å; V219-F236 HydrophobicContact CG2-CD2 3.62Å; V219-F236 HydrophobicContact CG2-CE1 3.93Å; V219-F236 HydrophobicContact CG2-CE2 3.97Å; V219-F236 HydrophobicContact CG2-CG 3.4Å; V219-F236 HydrophobicContact CG2-CZ 4.11Å; K220-F236 VanDerWaalsContact C-CE1 3.42Å; H234-F236 AromaticContact CD2-CD1 3.65Å; H234-F236 AromaticContact CD2-CE1 3.22Å; H234-F236 WeakPolarHBondContact CD2-CE1 3.48Å; H234-F236 AromaticContact CD2-CZ 3.81Å; H234-F236 AromaticContact NE2-CD1 3.72Å; H234-F236 AromaticContact NE2-CE1 3.41Å; H234-F236 WeakPolarHBondContact NE2-CE1 3.21Å
237V94.4Very high89.8Confident65 Ų6553.2 Ų53.239%0.39429%0.291SS..EExtended strand (participates in β ladder)trans-130.3121.3175.8-176.10000108.7Q182 N239Q182-V237 HydrophobicContact CB-CG1 4.26Å; V237-N239 WeakPolarHBondContact CG1-OD1 3.29Å
238F92.2Very high89.9Confident4 Ų455.9 Ų55.92%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-99.8109.6170-56.7-83.2000108.5Q182 L183 L209 L217 V219 V241 L251Q182-F238 WeakPolarHBondContact CA-O 3.49Å; L183-F238 HydrophobicContact CB-CB 4.25Å; L183-F238 HydrophobicContact CB-CD2 4.31Å; L183-F238 HydrophobicContact CD2-CD2 3.98Å; L183-F238 HydrophobicContact CG-CD2 4.27Å; L183-F238 PolarHBondContact N-O 3.4Å; L183-F238 PolarHBondContact O-N 2.87Å; L209-F238 HydrophobicContact CB-CD1 3.85Å; L209-F238 HydrophobicContact CB-CE1 3.72Å; L209-F238 HydrophobicContact CB-CE2 4.46Å; L209-F238 HydrophobicContact CB-CG 4.27Å; L209-F238 HydrophobicContact CB-CZ 4.04Å; L209-F238 HydrophobicContact CD2-CB 3.9Å; L209-F238 HydrophobicContact CD2-CD1 4.12Å; L209-F238 HydrophobicContact CD2-CD2 4.31Å; L209-F238 HydrophobicContact CD2-CG 3.85Å; L217-F238 HydrophobicContact CB-CD1 3.66Å; L217-F238 HydrophobicContact CB-CE1 3.99Å; L217-F238 HydrophobicContact CD1-CB 4.36Å; L217-F238 HydrophobicContact CD1-CD1 4.18Å; L217-F238 WeakPolarHBondContact O-CE1 3.29Å; V219-F238 HydrophobicContact CG1-CE1 3.94Å; V219-F238 HydrophobicContact CG1-CZ 4.28Å; V219-F238 HydrophobicContact CG2-CE1 3.99Å; V219-F238 HydrophobicContact CG2-CE2 4.45Å; V219-F238 HydrophobicContact CG2-CZ 3.58Å; F238-V241 HydrophobicContact CB-CG1 4.45Å; F238-V241 WeakPolarHBondContact O-CG2 3.38Å; F238-L251 HydrophobicContact CE2-CD1 4Å; F238-L251 HydrophobicContact CZ-CD1 4.01Å
239N89.5Confident90.4Very high99 Ų9954 Ų5453%0.52929%0.288SS..EExtended strand (participates in β ladder)trans-86.3156.5179-65.7-47.9000111.2Q182 V237Q182-N239 PolarHBondContact NE2-OD1 3.29Å; V237-N239 WeakPolarHBondContact CG1-OD1 3.29Å
240G85.3Confident90.6Very high35 Ų3552.2 Ų52.236%0.36128%0.275SS..EExtended strand (participates in β ladder)trans77.824.3170.800000114G181G181-G240 PolarHBondContact O-N 2.75Å
241V86.6Confident90.7Very high0 Ų052.3 Ų52.30%028%0.275CS..EExtended strand (participates in β ladder)trans-111.4121.4-174.7-64.90000110.8G181 L183 L209 L211 L217 F238 L246G181-V241 CarbonylContact C-O 3.58Å; G181-V241 WeakPolarHBondContact CA-O 3.42Å; G181-V241 PolarHBondContact N-O 3.19Å; G181-V241 PolarHBondContact O-N 3.15Å; G181-V241 VanDerWaalsContact O-N 3.13Å; L183-V241 HydrophobicContact CB-CG2 4.05Å; L209-V241 HydrophobicContact CD2-CG1 3.98Å; L211-V241 HydrophobicContact CD2-CG1 4.05Å; L217-V241 HydrophobicContact CD1-CG1 4.23Å; F238-V241 HydrophobicContact CB-CG1 4.45Å; F238-V241 WeakPolarHBondContact O-CG2 3.38Å; V241-L246 HydrophobicContact CB-CD1 4.41Å; V241-L246 HydrophobicContact CB-CD2 4.12Å; V241-L246 HydrophobicContact CB-CG 4.15Å; V241-L246 HydrophobicContact CG2-CD1 4.04Å; V241-L246 HydrophobicContact CG2-CD2 4.21Å; V241-L246 HydrophobicContact CG2-CG 4.28Å
242S85.3Confident90.7Very high17 Ų1748.9 Ų48.912%0.11926%0.259CS..  trans-85.4155.6174.463.10000111.9S244 Q245 L246S242-S244 PolarHBondContact O-N 2.7Å; S242-S244 PolarHBondContact OG-OG 3.32Å; S242-S244 VanDerWaalsContact OG-OG 3.06Å; S242-Q245 PolarHBondContact O-N 3.41Å; S242-Q245 WeakPolarHBondContact OG-CB 3.45Å; S242-Q245 VanDerWaalsContact OG-CD 3.27Å; S242-Q245 VanDerWaalsContact OG-CG 3.23Å; S242-Q245 WeakPolarHBondContact OG-CG 3.01Å; S242-Q245 PolarHBondContact OG-N 3.13Å; S242-Q245 PolarHBondContact OG-OE1 2.92Å; S242-L246 WeakPolarHBondContact O-CG 3.16Å; S242-L246 PolarHBondContact O-N 3.31Å
243S85Confident90.8Very high26 Ų2648 Ų4818%0.18226%0.256CS..Hα-helixtrans-58-32.8175.3-52.20000112.9L162 R247L162-S243 WeakPolarHBondContact CD2-OG 3.44Å; S243-R247 WeakPolarHBondContact O-CG 3.01Å; S243-R247 PolarHBondContact O-N 2.79Å; S243-R247 VanDerWaalsContact O-N 3.15Å
244S85.7Confident90.8Very high71 Ų7141.7 Ų41.750%0.49723%0.229SC..Hα-helixtrans-69.2-44.1176.753.90000111.7S242 R247S242-S244 PolarHBondContact O-N 2.7Å; S242-S244 PolarHBondContact OG-OG 3.32Å; S242-S244 VanDerWaalsContact OG-OG 3.06Å; S244-R247 PolarHBondContact O-N 2.99Å
245Q88.7Confident90.8Very high57 Ų5739 Ų3927%0.26622%0.217SC..Hα-helixtrans-61.9-46174.3-73.9166-4800111.1P212 S242 R247 Q248 S249P212-Q245 HydrophobicContact CG-CB 4.47Å; S242-Q245 PolarHBondContact O-N 3.41Å; S242-Q245 WeakPolarHBondContact OG-CB 3.45Å; S242-Q245 VanDerWaalsContact OG-CD 3.27Å; S242-Q245 VanDerWaalsContact OG-CG 3.23Å; S242-Q245 WeakPolarHBondContact OG-CG 3.01Å; S242-Q245 PolarHBondContact OG-N 3.13Å; S242-Q245 PolarHBondContact OG-OE1 2.92Å; Q245-R247 VanDerWaalsContact C-N 3.29Å; Q245-R247 PolarHBondContact O-N 3.1Å; Q245-Q248 CarbonylContact O-C 3.58Å; Q245-Q248 PolarHBondContact O-N 3.21Å; Q245-S249 VanDerWaalsContact C-OG 3.32Å; Q245-S249 WeakPolarHBondContact O-CB 3.36Å; Q245-S249 PolarHBondContact O-N 3.09Å; Q245-S249 PolarHBondContact O-OG 2.95Å
246L89.3Confident90.8Very high0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-62.8-33.4-179-71175.4000113.2L160 L183 L209 V241 S242 Q248 S249 W293 L297L160-L246 HydrophobicContact CD1-CD1 3.45Å; L160-L246 VanDerWaalsContact CD1-CD1 3.45Å; L160-L246 HydrophobicContact CD2-CD1 4.16Å; L160-L246 HydrophobicContact CG-CD1 4.38Å; L183-L246 HydrophobicContact CB-CD1 4.44Å; L183-L246 HydrophobicContact CD2-CD2 4.13Å; L209-L246 HydrophobicContact CD1-CD2 4.26Å; L209-L246 HydrophobicContact CD2-CD2 3.97Å; V241-L246 HydrophobicContact CB-CD1 4.41Å; V241-L246 HydrophobicContact CB-CD2 4.12Å; V241-L246 HydrophobicContact CB-CG 4.15Å; V241-L246 HydrophobicContact CG2-CD1 4.04Å; V241-L246 HydrophobicContact CG2-CD2 4.21Å; V241-L246 HydrophobicContact CG2-CG 4.28Å; S242-L246 WeakPolarHBondContact O-CG 3.16Å; S242-L246 PolarHBondContact O-N 3.31Å; L246-Q248 PolarHBondContact O-N 2.81Å; L246-S249 PolarHBondContact O-N 2.81Å; L246-S249 VanDerWaalsContact O-N 3.14Å; L246-W293 HydrophobicContact CB-CZ2 4.39Å; L246-W293 HydrophobicContact CD2-CH2 4.39Å; L246-W293 HydrophobicContact CD2-CZ2 4.21Å; L246-W293 PolarHBondContact O-NE1 3.3Å; L246-L297 HydrophobicContact CB-CD1 4.43Å; L246-L297 HydrophobicContact CB-CD2 3.72Å; L246-L297 HydrophobicContact CD1-CD2 3.97Å; L246-L297 HydrophobicContact CG-CD2 4.49Å
247R87.9Confident90.7Very high134 Ų13438 Ų3851%0.50620%0.202SC..THydrogen-bonded Turntrans-63.1-17.7172.8-84-168.2-81.4-95.57.9113.7S243 S244 Q245 S275 L297S243-R247 WeakPolarHBondContact O-CG 3.01Å; S243-R247 PolarHBondContact O-N 2.79Å; S243-R247 VanDerWaalsContact O-N 3.15Å; S244-R247 PolarHBondContact O-N 2.99Å; Q245-R247 VanDerWaalsContact C-N 3.29Å; Q245-R247 PolarHBondContact O-N 3.1Å; R247-S275 WeakPolarHBondContact O-CB 3.15Å; R247-S275 PolarHBondContact O-OG 2.93Å; R247-L297 HydrophobicContact CG-CD1 3.84Å
248Q88.3Confident90.6Very high136 Ų13637.8 Ų37.864%0.63620%0.197SC*.THydrogen-bonded Turntrans-114.93.3176.5-66.6179.1800112.4P212 Q245 L246P212-Q248 HydrophobicContact CB-CB 4.3Å; P212-Q248 HydrophobicContact CG-CB 3.6Å; Q245-Q248 CarbonylContact O-C 3.58Å; Q245-Q248 PolarHBondContact O-N 3.21Å; L246-Q248 PolarHBondContact O-N 2.81Å
249S90.9Very high90.2Very high0 Ų038.5 Ų38.50%020%0.204CC..  trans-90.7163-177.4-61.40000111.9T210 L211 Q245 L246T210-S249 VanDerWaalsContact O-CA 3.23Å; T210-S249 WeakPolarHBondContact O-CA 3.14Å; T210-S249 VanDerWaalsContact O-CB 3.26Å; T210-S249 WeakPolarHBondContact O-CB 3.48Å; L211-S249 WeakPolarHBondContact CD2-OG 3.45Å; Q245-S249 VanDerWaalsContact C-OG 3.32Å; Q245-S249 WeakPolarHBondContact O-CB 3.36Å; Q245-S249 PolarHBondContact O-N 3.09Å; Q245-S249 PolarHBondContact O-OG 2.95Å; L246-S249 PolarHBondContact O-N 2.81Å; L246-S249 VanDerWaalsContact O-N 3.14Å
250T92.2Very high89.6Confident37 Ų3738.4 Ų38.423%0.22720%0.202CC..EExtended strand (participates in β ladder)trans-127.6125.4170.9-55.80000109.3T210 L273T210-T250 PolarHBondContact N-O 3.39Å; T210-T250 PolarHBondContact O-N 2.83Å; T250-L273 CarbonylContact C-O 3.56Å; T250-L273 WeakPolarHBondContact CA-O 3.5Å
251L94.1Very high88.6Confident1 Ų146 Ų461%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-97.8116.3171.6174.165.1000109L185 L209 F238 L253 R272 L273 W293L185-L251 HydrophobicContact CD2-CD2 4.01Å; L209-L251 HydrophobicContact CB-CD1 4.36Å; L209-L251 HydrophobicContact CD1-CB 4.12Å; F238-L251 HydrophobicContact CE2-CD1 4Å; F238-L251 HydrophobicContact CZ-CD1 4.01Å; L251-L253 HydrophobicContact CD1-CD2 4.38Å; L251-L253 HydrophobicContact CG-CG 4.37Å; L251-R272 CarbonylContact O-C 3.54Å; L251-R272 WeakPolarHBondContact O-CA 3.46Å; L251-L273 HydrophobicContact CB-CB 4.33Å; L251-L273 HydrophobicContact CD2-CD1 4.25Å; L251-L273 PolarHBondContact N-O 3.06Å; L251-L273 PolarHBondContact O-N 2.84Å; L251-W293 HydrophobicContact CB-CH2 4.09Å; L251-W293 HydrophobicContact CB-CZ3 4.09Å; L251-W293 HydrophobicContact CD2-CH2 4.44Å; L251-W293 HydrophobicContact CD2-CZ3 3.92Å
252E94.3Very high87.3Confident48 Ų4850.4 Ų50.422%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-102129.7173.1-173.4-17294.100109.3G207 C208 T254 R272G207-E252 CarbonylContact C-O 3.57Å; G207-E252 WeakPolarHBondContact CA-O 3.36Å; C208-E252 HydrophobicContact CB-CB 4.4Å; C208-E252 PolarHBondContact N-O 3.29Å; C208-E252 PolarHBondContact O-N 2.92Å; E252-T254 HydrophobicContact CG-CG2 4.11Å; E252-R272 HydrophobicContact CG-CG 4.27Å; E252-R272 IonicContact OE2-CZ 3.81Å; E252-R272 IonicContact OE2-NH1 3.45Å; E252-R272 PolarHBondContact OE2-NH1 3.16Å; E252-R272 IonicContact OE2-NH2 3.37Å; E252-R272 PolarHBondContact OE2-NH2 2.82Å
253L95.8Very high86.7Confident1 Ų155.5 Ų55.51%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-116.7123.3173.8-64.6172.1000108.4L154 V156 L185 K206 L251 E270 A271 L308L154-L253 HydrophobicContact CD2-CB 4.02Å; L154-L253 HydrophobicContact CD2-CD1 4.06Å; V156-L253 HydrophobicContact CG1-CD1 4.09Å; L185-L253 HydrophobicContact CD2-CD1 4.1Å; L185-L253 HydrophobicContact CD2-CD2 3.58Å; L185-L253 HydrophobicContact CD2-CG 4.41Å; K206-L253 WeakPolarHBondContact O-CA 3.38Å; L251-L253 HydrophobicContact CD1-CD2 4.38Å; L251-L253 HydrophobicContact CG-CG 4.37Å; L253-E270 CarbonylContact O-C 3.6Å; L253-E270 WeakPolarHBondContact O-CA 3.49Å; L253-A271 PolarHBondContact N-O 2.97Å; L253-A271 PolarHBondContact O-N 2.83Å; L253-L308 HydrophobicContact CD1-CD1 3.61Å
254T95.2Very high86.6Confident10 Ų1061.8 Ų61.86%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-123.1130.9179.649.90000109.7V205 K206 E252 W256 L267 G269 E270V205-T254 WeakPolarHBondContact CA-O 3.46Å; K206-T254 WeakPolarHBondContact CB-OG1 3.44Å; K206-T254 PolarHBondContact N-O 2.82Å; K206-T254 PolarHBondContact O-N 3.09Å; K206-T254 PolarHBondContact O-OG1 2.81Å; E252-T254 HydrophobicContact CG-CG2 4.11Å; T254-W256 PolarHBondContact OG1-NE1 2.8Å; T254-L267 HydrophobicContact CG2-CD1 4.08Å; T254-G269 WeakPolarHBondContact CA-O 3.28Å; T254-E270 HydrophobicContact CG2-CB 3.84Å
255V95.6Very high86.8Confident0 Ų061 Ų610%032%0.316CS..EExtended strand (participates in β ladder)trans-99.8129.9175.9-170.70000108.1L154 L193 V205 W232 L268 G269 L310L154-V255 HydrophobicContact CD1-CG2 4.01Å; L154-V255 HydrophobicContact CD2-CG2 4.28Å; L193-V255 HydrophobicContact CD1-CG1 4.07Å; L193-V255 HydrophobicContact CD2-CG1 4.32Å; V205-V255 HydrophobicContact CG2-CG1 4.48Å; V205-V255 HydrophobicContact CG2-CG2 4.19Å; W232-V255 HydrophobicContact CH2-CG1 3.78Å; W232-V255 HydrophobicContact CZ2-CG1 4.2Å; V255-L268 HydrophobicContact CB-CB 4.39Å; V255-L268 HydrophobicContact CG1-CB 4.4Å; V255-L268 HydrophobicContact CG1-CD1 4.07Å; V255-L268 WeakPolarHBondContact O-CA 3.38Å; V255-L268 WeakPolarHBondContact O-CB 3.27Å; V255-L268 PolarHBondContact O-N 2.83Å; V255-G269 PolarHBondContact N-O 2.68Å; V255-G269 PolarHBondContact O-N 2.82Å; V255-L310 HydrophobicContact CB-CD1 4.31Å; V255-L310 HydrophobicContact CG2-CD1 3.69Å; V255-L310 HydrophobicContact CG2-CD2 3.86Å; V255-L310 HydrophobicContact CG2-CG 4.46Å
256W95Very high86.9Confident57 Ų5759.9 Ų59.922%0.21631%0.309CS..EExtended strand (participates in β ladder)trans-126.3154.8-174.3-65.177.5000110.7S203 F204 T254 D265 R266 L267S203-W256 CarbonylContact C-O 3.45Å; S203-W256 WeakPolarHBondContact CA-O 3.06Å; F204-W256 HydrophobicContact CD1-CB 4.1Å; F204-W256 HydrophobicContact CD2-CB 4Å; F204-W256 HydrophobicContact CD2-CG 4.42Å; F204-W256 HydrophobicContact CE1-CB 3.59Å; F204-W256 HydrophobicContact CE2-CB 3.43Å; F204-W256 VanDerWaalsContact CE2-CB 3.43Å; F204-W256 AromaticContact CE2-CD1 3.76Å; F204-W256 AromaticContact CE2-CG 3.61Å; F204-W256 HydrophobicContact CE2-CG 3.61Å; F204-W256 HydrophobicContact CG-CB 4.31Å; F204-W256 HydrophobicContact CZ-CB 3.24Å; F204-W256 HydrophobicContact CZ-CD2 4.4Å; F204-W256 AromaticContact CZ-CG 3.7Å; F204-W256 HydrophobicContact CZ-CG 3.7Å; F204-W256 PolarHBondContact N-O 3.07Å; F204-W256 PolarHBondContact O-N 3.39Å; T254-W256 PolarHBondContact OG1-NE1 2.8Å; W256-D265 HydrophobicContact CE3-CB 3.79Å; W256-D265 HydrophobicContact CZ3-CB 4.37Å; W256-R266 CarbonylContact C-O 3.54Å; W256-R266 WeakPolarHBondContact CA-O 3.23Å; W256-L267 HydrophobicContact CD2-CB 4.45Å; W256-L267 HydrophobicContact CD2-CD1 4.1Å; W256-L267 HydrophobicContact CE3-CB 4.15Å; W256-L267 HydrophobicContact CH2-CB 4.14Å; W256-L267 HydrophobicContact CH2-CD1 4.37Å; W256-L267 HydrophobicContact CZ2-CB 4.44Å; W256-L267 HydrophobicContact CZ2-CD1 3.83Å; W256-L267 HydrophobicContact CZ3-CB 3.99Å
257D92.9Very high87Confident1 Ų163.6 Ų63.61%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-113.3111.6171.2179.536.5000109.5R196 L201 N202 A259 R266 L268R196-D257 IonicContact CZ-OD1 2.68Å; R196-D257 IonicContact CZ-OD2 3.03Å; R196-D257 IonicContact NE-OD1 3.29Å; R196-D257 PolarHBondContact NE-OD1 3.46Å; R196-D257 IonicContact NE-OD2 3.42Å; R196-D257 PolarHBondContact NE-OD2 2.83Å; R196-D257 IonicContact NH1-OD1 3.49Å; R196-D257 PolarHBondContact NH1-OD1 2.97Å; R196-D257 IonicContact NH2-OD1 3.81Å; R196-D257 PolarHBondContact NH2-OD1 2.93Å; R196-D257 IonicContact NH2-OD2 2.88Å; R196-D257 PolarHBondContact NH2-OD2 2.83Å; L201-D257 HydrophobicContact CD2-CB 3.88Å; L201-D257 VanDerWaalsContact CD2-CG 3.43Å; N202-D257 PolarHBondContact N-OD1 2.68Å; D257-A259 PolarHBondContact O-N 2.87Å; D257-R266 HydrophobicContact CB-CB 4.26Å; D257-R266 PolarHBondContact N-O 3.48Å; D257-R266 PolarHBondContact O-N 2.99Å; D257-R266 IonicContact OD2-CZ 3.1Å; D257-R266 IonicContact OD2-NE 2.75Å; D257-R266 PolarHBondContact OD2-NE 2.9Å; D257-R266 IonicContact OD2-NH2 3Å; D257-R266 PolarHBondContact OD2-NH2 3.03Å; D257-L268 HydrophobicContact CB-CD1 3.97Å; D257-L268 HydrophobicContact CB-CD2 3.72Å; D257-L268 HydrophobicContact CB-CG 3.85Å
258Q92.6Very high87.1Confident59 Ų5957.3 Ų57.328%0.27631%0.305SS..PPolyproline II helixtrans-66.5116.8-177.4179.5175.460.800110.2R196 N202 F204 V223 D265R196-Q258 PolarHBondContact NH2-O 2.95Å; N202-Q258 HydrophobicContact CB-CB 3.94Å; N202-Q258 VanDerWaalsContact O-CB 3.3Å; N202-Q258 WeakPolarHBondContact O-CB 3.26Å; N202-Q258 PolarHBondContact O-N 2.86Å; F204-Q258 HydrophobicContact CD1-CB 4.06Å; F204-Q258 HydrophobicContact CE1-CB 3.88Å; V223-Q258 HydrophobicContact CG1-CB 4.04Å; Q258-D265 WeakPolarHBondContact CA-OD1 3.22Å
259A84.5Confident87.3Confident20 Ų2050.9 Ų50.917%0.16528%0.276CS..PPolyproline II helixtrans-58.3150.5178.300000112.4D257 M263 N264 D265D257-A259 PolarHBondContact O-N 2.87Å; A259-M263 HydrophobicContact CB-CB 3.81Å; A259-M263 WeakPolarHBondContact CB-O 3.39Å; A259-N264 WeakPolarHBondContact CB-O 2.79Å; A259-D265 PolarHBondContact N-OD1 2.83Å
260I75.7Confident87.4Confident97 Ų9753.6 Ų53.650%0.49729%0.288SS..SBendtrans-93.4127.2170.5-44.7-179.7000106.7
261F65.1Low87.4Confident195 Ų19552.1 Ų52.186%0.85528%0.28SS*.SBendtrans52.391.2174.6-65.9-72000116.5M263F261-M263 PolarHBondContact O-N 2.9Å
262G59Low87.2Confident92 Ų9256.8 Ų56.895%0.94830%0.297SS*.SBendtrans68.9-4.216200000117.1
263M73.1Confident87Confident124 Ų12454.5 Ų54.561%0.61129%0.287SS*.SBendtrans-82.8161172.2-54.3-178.575.700110.9A259 F261A259-M263 HydrophobicContact CB-CB 3.81Å; A259-M263 WeakPolarHBondContact CB-O 3.39Å; F261-M263 PolarHBondContact O-N 2.9Å
264N83.2Confident86.5Confident157 Ų15754.7 Ų54.784%0.8429%0.288SS*.PPolyproline II helixtrans-72.6141.8175.2-68.3-40.5000111.2A259A259-N264 WeakPolarHBondContact CB-O 2.79Å
265D90.1Very high85.4Confident54 Ų5455.7 Ų55.729%0.28930%0.296SS..PPolyproline II helixtrans-55.9138.5170.6-66.6-19.1000110.4F204 W256 Q258 A259F204-D265 HydrophobicContact CZ-CB 4.37Å; F204-D265 VanDerWaalsContact CZ-OD2 3.27Å; F204-D265 WeakPolarHBondContact CZ-OD2 3.02Å; W256-D265 HydrophobicContact CE3-CB 3.79Å; W256-D265 HydrophobicContact CZ3-CB 4.37Å; Q258-D265 WeakPolarHBondContact CA-OD1 3.22Å; A259-D265 PolarHBondContact N-OD1 2.83Å
266R89.8Confident84Confident34 Ų3463.8 Ų63.813%0.12833%0.331CS..EExtended strand (participates in β ladder)trans-93.4122.8-180175.9175.770142.19.8109.6D57 S59 P194 L201 W256 D257 L268D57-R266 IonicContact OD1-NH1 2.74Å; D57-R266 IonicContact OD2-NH1 2.9Å; D57-R266 PolarHBondContact OD2-NH1 2.98Å; S59-R266 PolarHBondContact OG-NH1 2.92Å; P194-R266 PolarHBondContact O-NH2 3.18Å; L201-R266 VanDerWaalsContact CD2-NH2 3.29Å; W256-R266 CarbonylContact C-O 3.54Å; W256-R266 WeakPolarHBondContact CA-O 3.23Å; D257-R266 HydrophobicContact CB-CB 4.26Å; D257-R266 PolarHBondContact N-O 3.48Å; D257-R266 PolarHBondContact O-N 2.99Å; D257-R266 IonicContact OD2-CZ 3.1Å; D257-R266 IonicContact OD2-NE 2.75Å; D257-R266 PolarHBondContact OD2-NE 2.9Å; D257-R266 IonicContact OD2-NH2 3Å; D257-R266 PolarHBondContact OD2-NH2 3.03Å; R266-L268 HydrophobicContact CG-CD2 4.47Å; R266-L268 PolarHBondContact O-N 2.91Å
267L91.6Very high81.9Confident78 Ų7862.8 Ų62.841%0.40834%0.339SS..EExtended strand (participates in β ladder)trans-67.7124.5169.2-179.267.6000108.6T254 W256T254-L267 HydrophobicContact CG2-CD1 4.08Å; W256-L267 HydrophobicContact CD2-CB 4.45Å; W256-L267 HydrophobicContact CD2-CD1 4.1Å; W256-L267 HydrophobicContact CE3-CB 4.15Å; W256-L267 HydrophobicContact CH2-CB 4.14Å; W256-L267 HydrophobicContact CH2-CD1 4.37Å; W256-L267 HydrophobicContact CZ2-CB 4.44Å; W256-L267 HydrophobicContact CZ2-CD1 3.83Å; W256-L267 HydrophobicContact CZ3-CB 3.99Å
268L90.8Very high79.8Confident3 Ų365 Ų652%0.01636%0.362CS..EExtended strand (participates in β ladder)trans-91.2-33.5175.7-60.4-179.5000111.4N151 L193 P194 L201 V255 D257 R266N151-L268 WeakPolarHBondContact CB-O 3.38Å; N151-L268 PolarHBondContact ND2-O 2.87Å; L193-L268 HydrophobicContact CD1-CD1 4.08Å; P194-L268 HydrophobicContact CG-CB 4.27Å; P194-L268 HydrophobicContact CG-CD2 4Å; P194-L268 WeakPolarHBondContact O-CD2 3.4Å; L201-L268 HydrophobicContact CD1-CD1 3.63Å; L201-L268 HydrophobicContact CD2-CD1 3.95Å; L201-L268 HydrophobicContact CD2-CD2 3.98Å; L201-L268 HydrophobicContact CG-CD1 4.34Å; V255-L268 HydrophobicContact CB-CB 4.39Å; V255-L268 HydrophobicContact CG1-CB 4.4Å; V255-L268 HydrophobicContact CG1-CD1 4.07Å; V255-L268 WeakPolarHBondContact O-CA 3.38Å; V255-L268 WeakPolarHBondContact O-CB 3.27Å; V255-L268 PolarHBondContact O-N 2.83Å; D257-L268 HydrophobicContact CB-CD1 3.97Å; D257-L268 HydrophobicContact CB-CD2 3.72Å; D257-L268 HydrophobicContact CB-CG 3.85Å; R266-L268 HydrophobicContact CG-CD2 4.47Å; R266-L268 PolarHBondContact O-N 2.91Å
269G91Very high77.3Confident1 Ų167 Ų671%0.0139%0.389CS..EExtended strand (participates in β ladder)trans172.4167.9170.700000113T254 V255 H311T254-G269 WeakPolarHBondContact CA-O 3.28Å; V255-G269 PolarHBondContact N-O 2.68Å; V255-G269 PolarHBondContact O-N 2.82Å; G269-H311 CarbonylContact C-O 3.59Å; G269-H311 WeakPolarHBondContact CA-O 3.23Å
270E93.3Very high75Confident56 Ų5671.5 Ų71.526%0.26243%0.425SS..EExtended strand (participates in β ladder)trans-126.3146.1-17868.8165.3-134.700113.5L253 T254 R272 L310 H311L253-E270 CarbonylContact O-C 3.6Å; L253-E270 WeakPolarHBondContact O-CA 3.49Å; T254-E270 HydrophobicContact CG2-CB 3.84Å; E270-R272 IonicContact OE1-CZ 3.45Å; E270-R272 IonicContact OE1-NE 2.87Å; E270-R272 PolarHBondContact OE1-NE 3.29Å; E270-R272 IonicContact OE1-NH2 3.03Å; E270-R272 PolarHBondContact OE1-NH2 3.01Å; E270-R272 VanDerWaalsContact OE1-NH2 3.1Å; E270-R272 IonicContact OE2-CZ 2.75Å; E270-R272 IonicContact OE2-NH2 2.7Å; E270-R272 PolarHBondContact OE2-NH2 3.21Å; E270-L310 WeakPolarHBondContact O-CA 3.15Å; E270-H311 PolarHBondContact N-O 2.96Å; E270-H311 PolarHBondContact O-N 3.13Å
271A92.2Very high73.5Confident6 Ų669.6 Ų69.65%0.0543%0.43CS..EExtended strand (participates in β ladder)trans-131.6142.8169.600000109.7L253 L308 L310L253-A271 PolarHBondContact N-O 2.97Å; L253-A271 PolarHBondContact O-N 2.83Å; A271-L308 HydrophobicContact CB-CB 3.75Å; A271-L308 HydrophobicContact CB-CD1 3.9Å; A271-L308 HydrophobicContact CB-CG 4.43Å; A271-L310 HydrophobicContact CB-CD2 4.08Å
272R91.2Very high72.4Confident99 Ų9962.5 Ų62.537%0.37440%0.404SS..EExtended strand (participates in β ladder)trans-125.7128-178.1-64.6173.5-175.5-81.9-11.7110L251 E252 E270 S289L251-R272 CarbonylContact O-C 3.54Å; L251-R272 WeakPolarHBondContact O-CA 3.46Å; E252-R272 HydrophobicContact CG-CG 4.27Å; E252-R272 IonicContact OE2-CZ 3.81Å; E252-R272 IonicContact OE2-NH1 3.45Å; E252-R272 PolarHBondContact OE2-NH1 3.16Å; E252-R272 IonicContact OE2-NH2 3.37Å; E252-R272 PolarHBondContact OE2-NH2 2.82Å; E270-R272 IonicContact OE1-CZ 3.45Å; E270-R272 IonicContact OE1-NE 2.87Å; E270-R272 PolarHBondContact OE1-NE 3.29Å; E270-R272 IonicContact OE1-NH2 3.03Å; E270-R272 PolarHBondContact OE1-NH2 3.01Å; E270-R272 VanDerWaalsContact OE1-NH2 3.1Å; E270-R272 IonicContact OE2-CZ 2.75Å; E270-R272 IonicContact OE2-NH2 2.7Å; E270-R272 PolarHBondContact OE2-NH2 3.21Å; R272-S289 WeakPolarHBondContact O-CB 3.31Å
273L89.8Confident71.7Confident1 Ų163.5 Ų63.51%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-114.9131171.9-68.7170.8000108.5T250 L251 S289 Q292 W293 M306 L308T250-L273 CarbonylContact C-O 3.56Å; T250-L273 WeakPolarHBondContact CA-O 3.5Å; L251-L273 HydrophobicContact CB-CB 4.33Å; L251-L273 HydrophobicContact CD2-CD1 4.25Å; L251-L273 PolarHBondContact N-O 3.06Å; L251-L273 PolarHBondContact O-N 2.84Å; L273-S289 WeakPolarHBondContact CD2-O 3.4Å; L273-Q292 HydrophobicContact CD2-CB 4.11Å; L273-W293 HydrophobicContact CB-CB 4.44Å; L273-W293 HydrophobicContact CB-CD2 4.24Å; L273-W293 HydrophobicContact CB-CE3 3.7Å; L273-W293 HydrophobicContact CB-CZ3 4.3Å; L273-W293 HydrophobicContact CD1-CE3 4.36Å; L273-M306 HydrophobicContact CD1-CE 3.79Å; L273-M306 HydrophobicContact CD1-SD 4.29Å; L273-L308 HydrophobicContact CD1-CD1 4.03Å; L273-L308 HydrophobicContact CD1-CD2 4.19Å; L273-L308 HydrophobicContact CD2-CD2 3.8Å; L273-L308 HydrophobicContact CG-CD1 4.32Å; L273-L308 HydrophobicContact CG-CD2 4.18Å
274G85.5Confident70.6Confident4 Ų463 Ų634%0.04139%0.394CS..EExtended strand (participates in β ladder)trans172.1169.5-179.700000112.4K276 K290G274-K276 VanDerWaalsContact C-N 3.35Å; G274-K290 WeakPolarHBondContact O-CG 3.47Å
275S71.1Confident69Low32 Ų3257.6 Ų57.622%0.22437%0.368CS..SBendtrans-79.1-20-179.6-55.40000113.2R247 K290R247-S275 WeakPolarHBondContact O-CB 3.15Å; R247-S275 PolarHBondContact O-OG 2.93Å; S275-K290 WeakPolarHBondContact O-CE 3.35Å
276K65.9Low67.3Low170 Ų17055.7 Ų55.774%0.73936%0.361SS*.SBendtrans-88.3123.7169.2-65.9-172.3179.5-176.70107.4G274G274-K276 VanDerWaalsContact C-N 3.35Å
277G52.2Low66.1Low36 Ų3656.7 Ų56.737%0.37137%0.373SS..PPolyproline II helixtrans-61.1145.1-179.900000109.3K290G277-K290 VanDerWaalsContact CA-CE 3.44Å
278G48.4Very low65.4Low47 Ų4757.6 Ų57.649%0.48538%0.375SS..PPolyproline II helixtrans-51.8154.517400000111.6
279A40.7Very low64.8Low102 Ų10258.9 Ų58.984%0.84339%0.385SS*.SBendtrans-48.2143.4-177.300000112.6G281A279-G281 PolarHBondContact O-N 3.14Å
280A34.6Very low64.3Low113 Ų11362.5 Ų62.593%0.93440%0.4SS*.SBendtrans-45.7118.5-176.300000112.7
281G44.9Very low63.9Low57 Ų5764.6 Ų64.659%0.58841%0.413SS*.SBendtrans176-27174.900000114.9A279A279-G281 PolarHBondContact O-N 3.14Å
282C41.6Very low63.7Low46 Ų4665.2 Ų65.231%0.31141%0.414SS..  trans-150.6121.2175-165.10000110.9D284C282-D284 PolarHBondContact O-N 3.44Å
283P43.7Very low63.7Low113 Ų11360.5 Ų60.573%0.73440%0.397SS*.Hα-helixtrans-64.2-22.8-179.823.3-30.7000113.3
284D50.7Low63.6Low115 Ų11564.8 Ų64.862%0.61542%0.417SS*.Hα-helixtrans-92.6-33.3-170.8-64.1-21.6000114.2C282 S287 Q288C282-D284 PolarHBondContact O-N 3.44Å; D284-S287 PolarHBondContact O-N 3.06Å; D284-S287 PolarHBondContact O-OG 3.07Å; D284-Q288 PolarHBondContact O-N 2.85Å
285S48.8Very low63.8Low42 Ų4271.8 Ų71.829%0.29444%0.442SS..Hα-helixtrans-74.2-34.1179.768.60000112.5S287 S289S285-S287 VanDerWaalsContact C-N 3.28Å; S285-S287 PolarHBondContact O-N 3.24Å; S285-S289 PolarHBondContact O-N 3.13Å; S285-S289 PolarHBondContact O-OG 3.28Å; S285-S289 VanDerWaalsContact O-OG 3.07Å
286G55.7Low64.8Low15 Ų1570.2 Ų70.216%0.15543%0.431CS..Hα-helixtrans-66.7-28174.200000113.2K290G286-K290 WeakPolarHBondContact O-CB 3.44Å; G286-K290 WeakPolarHBondContact O-CG 3.32Å; G286-K290 PolarHBondContact O-N 3.21Å
287S64.3Low65.9Low55 Ų5562.8 Ų62.839%0.38540%0.399SS..Hα-helixtrans-77.7-44.2179.674.70000111.5D284 S285 S289 K290 L291D284-S287 PolarHBondContact O-N 3.06Å; D284-S287 PolarHBondContact O-OG 3.07Å; S285-S287 VanDerWaalsContact C-N 3.28Å; S285-S287 PolarHBondContact O-N 3.24Å; S287-S289 PolarHBondContact O-N 3.03Å; S287-K290 PolarHBondContact O-N 2.79Å; S287-L291 WeakPolarHBondContact O-CB 3.09Å; S287-L291 VanDerWaalsContact O-CG 3.25Å; S287-L291 WeakPolarHBondContact O-CG 3.25Å; S287-L291 PolarHBondContact O-N 3.07Å
288Q76Confident67.6Low96 Ų9665.2 Ų65.245%0.44941%0.41SS..Hα-helixtrans-63.4-45.8179.5-168.9-177.143.300112D284 K290 L291 Q292D284-Q288 PolarHBondContact O-N 2.85Å; Q288-K290 VanDerWaalsContact C-N 3.34Å; Q288-K290 PolarHBondContact O-N 3.13Å; Q288-L291 PolarHBondContact O-N 3.35Å; Q288-Q292 WeakPolarHBondContact O-CB 3.36Å; Q288-Q292 WeakPolarHBondContact O-CG 3.12Å; Q288-Q292 PolarHBondContact O-N 3.25Å
289S78.3Confident69.5Low31 Ų3164.8 Ų64.822%0.21740%0.4CS..Hα-helixtrans-63.8-38.8-179.7-570000112.2R272 L273 S285 S287 W293R272-S289 WeakPolarHBondContact O-CB 3.31Å; L273-S289 WeakPolarHBondContact CD2-O 3.4Å; S285-S289 PolarHBondContact O-N 3.13Å; S285-S289 PolarHBondContact O-OG 3.28Å; S285-S289 VanDerWaalsContact O-OG 3.07Å; S287-S289 PolarHBondContact O-N 3.03Å; S289-W293 WeakPolarHBondContact O-CB 3.45Å; S289-W293 PolarHBondContact O-N 3.26Å
290K81.2Confident71.8Confident77 Ų7762.4 Ų62.434%0.33538%0.376SS..Hα-helixtrans-63.1-48.8172.4-87.41771721760112G274 S275 G277 G286 S287 Q288 Q292 W293 H294G274-K290 WeakPolarHBondContact O-CG 3.47Å; S275-K290 WeakPolarHBondContact O-CE 3.35Å; G277-K290 VanDerWaalsContact CA-CE 3.44Å; G286-K290 WeakPolarHBondContact O-CB 3.44Å; G286-K290 WeakPolarHBondContact O-CG 3.32Å; G286-K290 PolarHBondContact O-N 3.21Å; S287-K290 PolarHBondContact O-N 2.79Å; Q288-K290 VanDerWaalsContact C-N 3.34Å; Q288-K290 PolarHBondContact O-N 3.13Å; K290-Q292 VanDerWaalsContact C-N 3.31Å; K290-Q292 PolarHBondContact O-N 2.9Å; K290-W293 PolarHBondContact O-N 2.93Å; K290-H294 WeakPolarHBondContact O-CB 3.18Å; K290-H294 PolarHBondContact O-CD2 3.48Å; K290-H294 PolarHBondContact O-N 3.45Å
291L86Confident74.4Confident100 Ų10060.1 Ų60.152%0.52435%0.348SS..Hα-helixtrans-60-44.2-179.6-73.8167.2000111.1S287 Q288 H294 R295S287-L291 WeakPolarHBondContact O-CB 3.09Å; S287-L291 VanDerWaalsContact O-CG 3.25Å; S287-L291 WeakPolarHBondContact O-CG 3.25Å; S287-L291 PolarHBondContact O-N 3.07Å; Q288-L291 PolarHBondContact O-N 3.35Å; L291-H294 PolarHBondContact O-N 2.89Å; L291-R295 VanDerWaalsContact O-CG 3.31Å; L291-R295 WeakPolarHBondContact O-CG 3.11Å; L291-R295 PolarHBondContact O-N 3.33Å
292Q87.9Confident76.7Confident18 Ų1862.7 Ų62.78%0.08435%0.348CS..Hα-helixtrans-59.9-47.3174.9-79.4-179.9-4.800111.8L273 Q288 K290 H294 R295 V296 M306 T307L273-Q292 HydrophobicContact CD2-CB 4.11Å; Q288-Q292 WeakPolarHBondContact O-CB 3.36Å; Q288-Q292 WeakPolarHBondContact O-CG 3.12Å; Q288-Q292 PolarHBondContact O-N 3.25Å; K290-Q292 VanDerWaalsContact C-N 3.31Å; K290-Q292 PolarHBondContact O-N 2.9Å; Q292-H294 PolarHBondContact O-N 2.93Å; Q292-R295 PolarHBondContact O-N 3.32Å; Q292-V296 WeakPolarHBondContact O-CG2 3.41Å; Q292-V296 PolarHBondContact O-N 2.72Å; Q292-M306 HydrophobicContact CB-CG 4.17Å; Q292-M306 HydrophobicContact CB-SD 3.63Å; Q292-M306 HydrophobicContact CG-CB 4.49Å; Q292-M306 HydrophobicContact CG-CG 4.12Å; Q292-M306 HydrophobicContact CG-SD 4.25Å; Q292-T307 PolarHBondContact NE2-O 3.33Å
293W89.8Confident79.2Confident1 Ų166.1 Ų66.10%0.00435%0.354CS..Hα-helixtrans-60.5-45.8175.7-170.4-117.9000112.3L183 L209 L246 L251 L273 S289 K290 R295 V296 L297L183-W293 HydrophobicContact CD2-CH2 3.67Å; L183-W293 HydrophobicContact CD2-CZ3 4.19Å; L209-W293 HydrophobicContact CD1-CH2 4.48Å; L246-W293 HydrophobicContact CB-CZ2 4.39Å; L246-W293 HydrophobicContact CD2-CH2 4.39Å; L246-W293 HydrophobicContact CD2-CZ2 4.21Å; L246-W293 PolarHBondContact O-NE1 3.3Å; L251-W293 HydrophobicContact CB-CH2 4.09Å; L251-W293 HydrophobicContact CB-CZ3 4.09Å; L251-W293 HydrophobicContact CD2-CH2 4.44Å; L251-W293 HydrophobicContact CD2-CZ3 3.92Å; L273-W293 HydrophobicContact CB-CB 4.44Å; L273-W293 HydrophobicContact CB-CD2 4.24Å; L273-W293 HydrophobicContact CB-CE3 3.7Å; L273-W293 HydrophobicContact CB-CZ3 4.3Å; L273-W293 HydrophobicContact CD1-CE3 4.36Å; S289-W293 WeakPolarHBondContact O-CB 3.45Å; S289-W293 PolarHBondContact O-N 3.26Å; K290-W293 PolarHBondContact O-N 2.93Å; W293-R295 VanDerWaalsContact C-N 3.34Å; W293-R295 PolarHBondContact O-N 2.91Å; W293-V296 WeakPolarHBondContact O-CB 3.18Å; W293-V296 PolarHBondContact O-N 3.35Å; W293-L297 WeakPolarHBondContact O-CG 3.03Å; W293-L297 PolarHBondContact O-N 3.44Å; W293-L297 VanDerWaalsContact O-N 3.16Å
294H89Confident81.5Confident91 Ų9161.7 Ų61.742%0.42133%0.325SS..Hα-helixtrans-60.3-40.7176.8-83.4-67.9000112.6K290 L291 Q292 V296 L297 S298K290-H294 WeakPolarHBondContact O-CB 3.18Å; K290-H294 PolarHBondContact O-CD2 3.48Å; K290-H294 PolarHBondContact O-N 3.45Å; L291-H294 PolarHBondContact O-N 2.89Å; Q292-H294 PolarHBondContact O-N 2.93Å; H294-V296 VanDerWaalsContact C-N 3.33Å; H294-V296 PolarHBondContact O-N 2.65Å; H294-L297 PolarHBondContact O-N 3.07Å; H294-L297 VanDerWaalsContact O-N 3.14Å; H294-S298 WeakPolarHBondContact O-CB 3.38Å; H294-S298 PolarHBondContact O-N 3.18Å; H294-S298 PolarHBondContact O-OG 3.45Å
295R89.6Confident83.6Confident150 Ų15060.8 Ų60.857%0.56632%0.32SS*.Hα-helixtrans-60.5-40.7176.4-74.5174.8-168179.13.2112.7L291 Q292 W293 L297 S298 S299 T304L291-R295 VanDerWaalsContact O-CG 3.31Å; L291-R295 WeakPolarHBondContact O-CG 3.11Å; L291-R295 PolarHBondContact O-N 3.33Å; Q292-R295 PolarHBondContact O-N 3.32Å; W293-R295 VanDerWaalsContact C-N 3.34Å; W293-R295 PolarHBondContact O-N 2.91Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-S298 PolarHBondContact O-OG 3.02Å; R295-S299 WeakPolarHBondContact O-CB 3.49Å; R295-S299 PolarHBondContact O-N 3.33Å; R295-S299 PolarHBondContact O-OG 3Å; R295-T304 HydrophobicContact CB-CG2 4.11Å
296V90.6Very high85.7Confident0 Ų059.1 Ų59.10%031%0.308CS..Hα-helixtrans-61.6-41.9175.1176.90000110.6A158 L183 Q292 W293 H294 T304 M306A158-V296 HydrophobicContact CB-CG1 3.88Å; A158-V296 HydrophobicContact CB-CG2 3.76Å; L183-V296 HydrophobicContact CD1-CG1 4.16Å; Q292-V296 WeakPolarHBondContact O-CG2 3.41Å; Q292-V296 PolarHBondContact O-N 2.72Å; W293-V296 WeakPolarHBondContact O-CB 3.18Å; W293-V296 PolarHBondContact O-N 3.35Å; H294-V296 VanDerWaalsContact C-N 3.33Å; H294-V296 PolarHBondContact O-N 2.65Å; V296-T304 HydrophobicContact CG2-CG2 4.08Å; V296-M306 HydrophobicContact CG2-CE 3.92Å; V296-M306 HydrophobicContact CG2-SD 3.74Å
297L89.3Confident87.4Confident14 Ų1461.5 Ų61.57%0.07332%0.319CS..Hα-helixtrans-78.8-29.1-177.7-60.4-176.8000113.9L160 L246 R247 W293 H294 R295 S299L160-L297 HydrophobicContact CD2-CD2 4.02Å; L246-L297 HydrophobicContact CB-CD1 4.43Å; L246-L297 HydrophobicContact CB-CD2 3.72Å; L246-L297 HydrophobicContact CD1-CD2 3.97Å; L246-L297 HydrophobicContact CG-CD2 4.49Å; R247-L297 HydrophobicContact CG-CD1 3.84Å; W293-L297 WeakPolarHBondContact O-CG 3.03Å; W293-L297 PolarHBondContact O-N 3.44Å; W293-L297 VanDerWaalsContact O-N 3.16Å; H294-L297 PolarHBondContact O-N 3.07Å; H294-L297 VanDerWaalsContact O-N 3.14Å; R295-L297 VanDerWaalsContact C-N 3.31Å; L297-S299 VanDerWaalsContact C-N 3.35Å
298S88.8Confident88.7Confident86 Ų8659.1 Ų59.160%0.60130%0.302SS*.Hα-helixtrans-82.7-14179.870.20000113.3H294 R295 P300H294-S298 WeakPolarHBondContact O-CB 3.38Å; H294-S298 PolarHBondContact O-N 3.18Å; H294-S298 PolarHBondContact O-OG 3.45Å; R295-S298 PolarHBondContact O-OG 3.02Å; S298-P300 VanDerWaalsContact O-CD 3.26Å; S298-P300 WeakPolarHBondContact O-CD 3.4Å
299S88.7Confident89.3Confident39 Ų3956.8 Ų56.827%0.27330%0.295SS..SBendtrans-119.562.1-177.4-45.20000110.5R295 L297 L302R295-S299 WeakPolarHBondContact O-CB 3.49Å; R295-S299 PolarHBondContact O-N 3.33Å; R295-S299 PolarHBondContact O-OG 3Å; L297-S299 VanDerWaalsContact C-N 3.35Å; S299-L302 PolarHBondContact O-N 3.14Å
300P87.6Confident89.8Confident52 Ų5255.3 Ų55.334%0.33828%0.284SS..THydrogen-bonded Turntrans-59.1148.218027.9-35000110.4L162 S298 L302L162-P300 HydrophobicContact CD1-CB 3.71Å; L162-P300 HydrophobicContact CD1-CG 4.34Å; L162-P300 HydrophobicContact CG-CB 4.17Å; S298-P300 VanDerWaalsContact O-CD 3.26Å; S298-P300 WeakPolarHBondContact O-CD 3.4Å; P300-L302 PolarHBondContact O-N 3.25Å; P300-L302 VanDerWaalsContact O-N 3.08Å
301N90.1Very high89.9Confident64 Ų6455 Ų5534%0.34228%0.284SS..THydrogen-bonded Turntrans64.31.3-177.2-58.5-42.3000115.8K159 L160 V161 L162K159-N301 VanDerWaalsContact CE-C 3.43Å; K159-N301 WeakPolarHBondContact CE-O 3.09Å; K159-N301 PolarHBondContact NZ-O 2.73Å; L160-N301 PolarHBondContact O-N 3.02Å; V161-N301 WeakPolarHBondContact CA-OD1 3.3Å; L162-N301 PolarHBondContact N-OD1 3.28Å; L162-N301 VanDerWaalsContact N-OD1 3.15Å
302L92.9Very high90.1Very high112 Ų11252.8 Ų52.859%0.58627%0.272SS*.SBendtrans-106.1151.3173.4-63.5174.4000111.3K159 S299 P300K159-L302 WeakPolarHBondContact CB-O 3.36Å; K159-L302 WeakPolarHBondContact CG-O 3.13Å; S299-L302 PolarHBondContact O-N 3.14Å; P300-L302 PolarHBondContact O-N 3.25Å; P300-L302 VanDerWaalsContact O-N 3.08Å
303W93.9Very high90.3Very high118 Ų11854.6 Ų54.645%0.44728%0.282SS..  trans-87.7133.8174.3-73.9113.1000110.3R157 K159 C184 V186R157-W303 HydrophobicContact CB-CE3 4.48Å; R157-W303 HydrophobicContact CG-CB 3.94Å; R157-W303 HydrophobicContact CG-CD2 3.95Å; R157-W303 HydrophobicContact CG-CE3 3.43Å; R157-W303 VanDerWaalsContact CG-CE3 3.43Å; R157-W303 HydrophobicContact CG-CG 4.22Å; R157-W303 HydrophobicContact CG-CZ3 4.12Å; K159-W303 HydrophobicContact CB-CD2 3.68Å; K159-W303 HydrophobicContact CB-CE3 3.25Å; K159-W303 HydrophobicContact CB-CG 4.37Å; K159-W303 HydrophobicContact CB-CH2 4.22Å; K159-W303 HydrophobicContact CB-CZ3 3.59Å; K159-W303 HydrophobicContact CD-CD2 3.83Å; K159-W303 HydrophobicContact CD-CE3 4.26Å; K159-W303 HydrophobicContact CD-CG 4.18Å; K159-W303 HydrophobicContact CD-CZ2 4.15Å; K159-W303 HydrophobicContact CG-CD2 4.39Å; K159-W303 HydrophobicContact CG-CE3 4.38Å; C184-W303 HydrophobicContact CB-CH2 3.9Å; C184-W303 HydrophobicContact CB-CZ3 4.14Å; V186-W303 HydrophobicContact CG2-CH2 3.64Å; V186-W303 HydrophobicContact CG2-CZ3 3.82Å
304T93.6Very high90.3Very high20 Ų2057.6 Ų57.612%0.12330%0.298CS..EExtended strand (participates in β ladder)trans-117.4119.9175.9-58.40000109.5R157 A158 R295 V296 M306R157-T304 CarbonylContact C-O 3.49Å; R157-T304 VanDerWaalsContact CA-O 3.32Å; R157-T304 WeakPolarHBondContact CA-O 3.27Å; A158-T304 PolarHBondContact N-O 2.92Å; A158-T304 PolarHBondContact O-N 2.99Å; R295-T304 HydrophobicContact CB-CG2 4.11Å; V296-T304 HydrophobicContact CG2-CG2 4.08Å; T304-M306 HydrophobicContact CG2-CG 4.12Å; T304-M306 HydrophobicContact CG2-SD 4.47Å
305D93.8Very high90.4Very high95 Ų9555.6 Ų55.651%0.50829%0.29SS..EExtended strand (participates in β ladder)trans-83.4136.5174.6-74.8-30.3000111.5R157R157-D305 VanDerWaalsContact CB-OD1 3.3Å; R157-D305 WeakPolarHBondContact CB-OD1 3.43Å; R157-D305 VanDerWaalsContact CG-OD1 3.26Å; R157-D305 WeakPolarHBondContact CG-OD1 3.44Å; R157-D305 IonicContact CZ-OD1 3.35Å; R157-D305 IonicContact CZ-OD2 3.63Å; R157-D305 IonicContact NE-OD1 2.64Å; R157-D305 PolarHBondContact NE-OD1 2.76Å; R157-D305 IonicContact NE-OD2 3.66Å; R157-D305 IonicContact NH2-OD1 2.79Å; R157-D305 PolarHBondContact NH2-OD1 2.84Å; R157-D305 IonicContact NH2-OD2 3.93Å; R157-D305 PolarHBondContact NH2-OD2 2.96Å
306M92.7Very high90.4Very high7 Ų749.8 Ų49.83%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-142140.7-176.3-56.6177.4-63.400110.2V156 A158 L273 Q292 V296 T304 L308V156-M306 HydrophobicContact CG2-CB 3.93Å; V156-M306 HydrophobicContact CG2-CE 3.71Å; V156-M306 PolarHBondContact N-O 3.03Å; V156-M306 PolarHBondContact O-N 3.07Å; A158-M306 HydrophobicContact CB-CE 3.62Å; L273-M306 HydrophobicContact CD1-CE 3.79Å; L273-M306 HydrophobicContact CD1-SD 4.29Å; Q292-M306 HydrophobicContact CB-CG 4.17Å; Q292-M306 HydrophobicContact CB-SD 3.63Å; Q292-M306 HydrophobicContact CG-CB 4.49Å; Q292-M306 HydrophobicContact CG-CG 4.12Å; Q292-M306 HydrophobicContact CG-SD 4.25Å; V296-M306 HydrophobicContact CG2-CE 3.92Å; V296-M306 HydrophobicContact CG2-SD 3.74Å; T304-M306 HydrophobicContact CG2-CG 4.12Å; T304-M306 HydrophobicContact CG2-SD 4.47Å; M306-L308 HydrophobicContact CB-CD2 4.25Å
307T92.1Very high90.4Very high65 Ų6553.1 Ų53.140%0.39929%0.291SS..EExtended strand (participates in β ladder)trans-112.7123.1166-60.10000107.5E153 Q292E153-T307 HydrophobicContact CB-CG2 3.95Å; E153-T307 HydrophobicContact CG-CG2 4.18Å; E153-T307 WeakPolarHBondContact OE2-CG2 3.22Å; Q292-T307 PolarHBondContact NE2-O 3.33Å
308L91.3Very high90.5Very high5 Ų555.9 Ų55.93%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-107.1130-177-50.2-179.3000109.2E153 L154 V156 L253 A271 L273 M306E153-L308 CarbonylContact C-O 3.52Å; E153-L308 VanDerWaalsContact CA-O 3.31Å; E153-L308 WeakPolarHBondContact CA-O 3.47Å; L154-L308 HydrophobicContact CB-CB 4.44Å; L154-L308 PolarHBondContact N-O 3.4Å; L154-L308 PolarHBondContact O-N 3.09Å; V156-L308 HydrophobicContact CG1-CD1 4.42Å; V156-L308 HydrophobicContact CG2-CD1 3.93Å; V156-L308 HydrophobicContact CG2-CG 4.13Å; L253-L308 HydrophobicContact CD1-CD1 3.61Å; A271-L308 HydrophobicContact CB-CB 3.75Å; A271-L308 HydrophobicContact CB-CD1 3.9Å; A271-L308 HydrophobicContact CB-CG 4.43Å; L273-L308 HydrophobicContact CD1-CD1 4.03Å; L273-L308 HydrophobicContact CD1-CD2 4.19Å; L273-L308 HydrophobicContact CD2-CD2 3.8Å; L273-L308 HydrophobicContact CG-CD1 4.32Å; L273-L308 HydrophobicContact CG-CD2 4.18Å; M306-L308 HydrophobicContact CB-CD2 4.25Å
309V89.2Confident90.6Very high47 Ų4753.5 Ų53.529%0.28528%0.284SS..EExtended strand (participates in β ladder)trans-74.9131.1169.1-178.80000108.3N150N150-V309 HydrophobicContact CB-CG1 4.29Å
310L88.7Confident90.8Very high0 Ų054.8 Ų54.80%029%0.285CS..  trans-90127.2175.6-64.5170000109N150 N151 G152 L154 L193 V255 E270 A271N150-L310 CarbonylContact C-O 3.59Å; N151-L310 HydrophobicContact CB-CB 4.29Å; N151-L310 PolarHBondContact N-O 2.81Å; G152-L310 WeakPolarHBondContact O-CB 3.12Å; G152-L310 PolarHBondContact O-N 3.38Å; L154-L310 HydrophobicContact CB-CD1 4.24Å; L154-L310 HydrophobicContact CB-CD2 4.02Å; L154-L310 HydrophobicContact CB-CG 4.16Å; L154-L310 HydrophobicContact CD2-CD2 4.47Å; L193-L310 HydrophobicContact CD2-CD1 3.45Å; L193-L310 VanDerWaalsContact CD2-CD1 3.45Å; V255-L310 HydrophobicContact CB-CD1 4.31Å; V255-L310 HydrophobicContact CG2-CD1 3.69Å; V255-L310 HydrophobicContact CG2-CD2 3.86Å; V255-L310 HydrophobicContact CG2-CG 4.46Å; E270-L310 WeakPolarHBondContact O-CA 3.15Å; A271-L310 HydrophobicContact CB-CD2 4.08Å
311H83.4Confident91.1Very high72 Ų7255 Ų5533%0.33328%0.28SS..  trans-1020177.1-62.2-59.7000113.2Q149 N151 G269 E270Q149-H311 VanDerWaalsContact O-CA 3.31Å; Q149-H311 WeakPolarHBondContact O-CA 3.38Å; Q149-H311 PolarHBondContact O-ND1 2.84Å; N151-H311 PolarHBondContact ND2-O 3.05Å; N151-H311 VanDerWaalsContact ND2-O 3.09Å; N151-H311 PolarHBondContact ND2-OXT 2.83Å; G269-H311 CarbonylContact C-O 3.59Å; G269-H311 WeakPolarHBondContact CA-O 3.23Å; E270-H311 PolarHBondContact N-O 2.96Å; E270-H311 PolarHBondContact O-N 3.13Å

Retrieved 311 of 311 residues in 957.7 ms (Link to these results)

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