A0A060WYX2_ONCMY Loading...

PRELI/MSF1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WYX2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110532053, Length 193 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.8Low86Confident154 Ų15479.7 Ų79.776%0.75940%0.402SS*.  0121.20-175175.279.400108.1I130 E142M1-I130 VanDerWaalsContact CA-O 3.28Å; M1-I130 WeakPolarHBondContact CA-O 3.31Å; M1-E142 PolarHBondContact N-OE1 3.25Å
2K72.1Confident86.7Confident85 Ų8576 Ų7637%0.3738%0.382SS..EExtended strand (participates in β ladder)trans-118.8138.2174.9-74.8-170.9-178.8174.20110.1I130 E142K2-I130 PolarHBondContact N-O 2.83Å; K2-I130 PolarHBondContact O-N 2.8Å; K2-E142 HydrophobicContact CD-CB 4.07Å; K2-E142 HydrophobicContact CG-CB 4.41Å
3I81.3Confident87.4Confident114 Ų11472.5 Ų72.559%0.58537%0.368SS*.EExtended strand (participates in β ladder)trans-106.1127.7173.5-45.5-171.6000106.7T5 A128 L129I3-T5 HydrophobicContact CG2-CG2 4.17Å; I3-A128 WeakPolarHBondContact CA-O 3.37Å; I3-L129 HydrophobicContact CB-CD2 4.21Å; I3-L129 HydrophobicContact CD1-CD2 4Å; I3-L129 HydrophobicContact CG1-CD2 3.64Å; I3-L129 HydrophobicContact CG2-CD2 4Å
4W82.9Confident88Confident50 Ų5068.3 Ų68.319%0.18935%0.345CS..EExtended strand (participates in β ladder)trans-118.6131.7171178.584.2000108.4S6 Q126 E127 A128 I149 A153W4-S6 VanDerWaalsContact CZ2-CB 3.46Å; W4-Q126 HydrophobicContact CZ3-CB 3.94Å; W4-E127 CarbonylContact O-C 3.52Å; W4-E127 WeakPolarHBondContact O-CA 3.5Å; W4-A128 HydrophobicContact CB-CB 4.43Å; W4-A128 HydrophobicContact CE3-CB 4.16Å; W4-A128 PolarHBondContact N-O 2.86Å; W4-A128 PolarHBondContact O-N 2.86Å; W4-I149 HydrophobicContact CD2-CG2 4.37Å; W4-I149 HydrophobicContact CE3-CG2 4.03Å; W4-I149 HydrophobicContact CZ3-CG2 4.34Å; W4-A153 HydrophobicContact CH2-CB 3.45Å; W4-A153 VanDerWaalsContact CH2-CB 3.45Å; W4-A153 HydrophobicContact CZ2-CB 4.11Å; W4-A153 HydrophobicContact CZ3-CB 4.25Å
5T87.5Confident88.4Confident88 Ų8869.7 Ų69.754%0.5435%0.35SS..EExtended strand (participates in β ladder)trans-128.4145.7176.758.30000109.7I3 Q126 E127I3-T5 HydrophobicContact CG2-CG2 4.17Å; T5-Q126 CarbonylContact C-O 3.53Å; T5-Q126 VanDerWaalsContact CA-O 3.26Å; T5-Q126 WeakPolarHBondContact CA-O 3.44Å; T5-E127 HydrophobicContact CG2-CB 4.4Å; T5-E127 HydrophobicContact CG2-CG 4.07Å
6S89.9Confident88.7Confident31 Ų3167.5 Ų67.522%0.21734%0.341CS..EExtended strand (participates in β ladder)trans-151142.9175.5-165.40000110.9W4 Q126 R157W4-S6 VanDerWaalsContact CZ2-CB 3.46Å; S6-Q126 PolarHBondContact N-O 2.86Å; S6-Q126 PolarHBondContact O-N 2.78Å; S6-R157 PolarHBondContact OG-NH2 3.32Å
7E92.9Very high89.1Confident124 Ų12463.5 Ų63.558%0.57932%0.321SS*.EExtended strand (participates in β ladder)trans-114.9144.2172.3-169.5173.787.500109.5I123 L124E7-I123 HydrophobicContact CG-CG2 3.88Å; E7-L124 CarbonylContact C-O 3.52Å; E7-L124 WeakPolarHBondContact CA-O 3.45Å
8H93.3Very high89.4Confident52 Ų5260.6 Ų60.624%0.24131%0.307CS..EExtended strand (participates in β ladder)trans-144.8145.8175.3-173.963000110.5F10 L124H8-F10 AromaticContact CD2-CE1 3.8Å; H8-F10 AromaticContact CD2-CE2 3.87Å; H8-F10 AromaticContact CD2-CZ 3.72Å; H8-F10 AromaticContact NE2-CE1 3.93Å; H8-L124 PolarHBondContact N-O 3.45Å; H8-L124 PolarHBondContact O-N 3.46Å
9I95.1Very high89.6Confident67 Ų6762.4 Ų62.434%0.34431%0.313SS..EExtended strand (participates in β ladder)trans-112.9119177.5-57.2175.8000108K121 T122 I123I9-K121 HydrophobicContact CG2-CB 4.05Å; I9-K121 HydrophobicContact CG2-CD 4.02Å; I9-T122 WeakPolarHBondContact CA-O 3.43Å; I9-I123 HydrophobicContact CG1-CG1 4.45Å
10F93.7Very high89.8Confident0 Ų059.3 Ų59.30%030%0.297CS..EExtended strand (participates in β ladder)trans-85.2132.8167.8-67.3-78000109.2H8 H12 V17 Y112 K121 T122 L124 R157 M160H8-F10 AromaticContact CD2-CE1 3.8Å; H8-F10 AromaticContact CD2-CE2 3.87Å; H8-F10 AromaticContact CD2-CZ 3.72Å; H8-F10 AromaticContact NE2-CE1 3.93Å; F10-H12 PolarHBondContact O-N 3.26Å; F10-V17 HydrophobicContact CB-CG2 3.96Å; F10-V17 HydrophobicContact CD2-CG1 4.16Å; F10-V17 HydrophobicContact CG-CG2 4.33Å; F10-Y112 HydrophobicContact CE2-CE1 4.04Å; F10-K121 WeakPolarHBondContact O-CA 3.43Å; F10-T122 PolarHBondContact N-O 2.7Å; F10-T122 PolarHBondContact O-N 3.32Å; F10-L124 HydrophobicContact CD2-CB 4.16Å; F10-L124 HydrophobicContact CE2-CB 3.72Å; F10-L124 HydrophobicContact CE2-CD2 3.63Å; F10-L124 HydrophobicContact CE2-CG 4.3Å; F10-L124 HydrophobicContact CZ-CD2 4.06Å; F10-R157 HydrophobicContact CZ-CG 4.41Å; F10-M160 HydrophobicContact CE1-CB 3.8Å; F10-M160 HydrophobicContact CZ-CB 4.01Å; F10-M160 HydrophobicContact CZ-CG 4.22Å
11N94.9Very high90Very high112 Ų11256.7 Ų56.760%0.59928%0.284SS*.SBendtrans-8346.9174.9-65.3-48.2000111.4K121N11-K121 WeakPolarHBondContact OD1-CE 3.29Å
12H94.2Very high91.4Very high35 Ų3551.4 Ų51.416%0.16226%0.259CS..SBendtrans-143.2147.7-178.6-59.1-78.5000109.6F10 V17 E120 K121 T122 E161 I164F10-H12 PolarHBondContact O-N 3.26Å; H12-V17 HydrophobicContact CB-CG2 3.8Å; H12-E120 CarbonylContact C-O 3.45Å; H12-E120 WeakPolarHBondContact CA-O 3.37Å; H12-E120 PolarHBondContact N-O 2.97Å; H12-K121 CarbonylContact O-C 3.51Å; H12-T122 PolarHBondContact O-N 2.99Å; H12-T122 PolarHBondContact O-OG1 3.02Å; H12-E161 IonicContact CD2-OE1 2.9Å; H12-E161 IonicContact CD2-OE2 3.18Å; H12-E161 IonicContact CE1-OE2 2.76Å; H12-E161 IonicContact NE2-OE1 2.72Å; H12-E161 PolarHBondContact NE2-OE1 3.42Å; H12-E161 IonicContact NE2-OE2 3.53Å; H12-E161 PolarHBondContact NE2-OE2 3.21Å; H12-I164 HydrophobicContact CB-CD1 4.36Å
13P95.3Very high92.2Very high30 Ų3050.9 Ų50.920%0.19526%0.257CS..  trans-65.8153.4179.526.7-34.6000111.2E15 T16 V17P13-E15 PolarHBondContact O-N 3.42Å; P13-T16 PolarHBondContact O-N 3.38Å; P13-T16 VanDerWaalsContact O-N 3.08Å; P13-V17 PolarHBondContact O-N 3.48Å; P13-V17 VanDerWaalsContact O-N 3.07Å
14W96.2Very high92.6Very high14 Ų1447.2 Ų47.25%0.05324%0.237CC..Hα-helixtrans-58.4-35.5-172.2174.287.1000113.2V17 T18 V84 K89 F91 Y112 P114 T122W14-V17 PolarHBondContact O-N 3.44Å; W14-T18 HydrophobicContact CZ2-CG2 4.33Å; W14-T18 PolarHBondContact NE1-OG1 3.09Å; W14-T18 VanDerWaalsContact O-CB 3.25Å; W14-T18 WeakPolarHBondContact O-CB 3.45Å; W14-T18 PolarHBondContact O-N 3.29Å; W14-T18 PolarHBondContact O-OG1 3.44Å; W14-V84 HydrophobicContact CH2-CG1 3.72Å; W14-V84 HydrophobicContact CZ2-CG1 3.96Å; W14-K89 HydrophobicContact CD2-CB 3.98Å; W14-K89 VanDerWaalsContact CE2-C 3.45Å; W14-K89 HydrophobicContact CE3-CB 4Å; W14-K89 HydrophobicContact CE3-CD 4.42Å; W14-K89 HydrophobicContact CE3-CG 4.21Å; W14-K89 HydrophobicContact CG-CB 4.44Å; W14-K89 HydrophobicContact CZ3-CB 4.3Å; W14-K89 HydrophobicContact CZ3-CG 4.38Å; W14-K89 PolarHBondContact NE1-O 3.1Å; W14-F91 HydrophobicContact CZ2-CB 4.02Å; W14-Y112 PolarHBondContact NE1-O 3.5Å; W14-P114 HydrophobicContact CB-CG 3.9Å; W14-P114 HydrophobicContact CG-CG 4.15Å; W14-T122 WeakPolarHBondContact CA-OG1 2.92Å; W14-T122 PolarHBondContact N-OG1 3.48Å; W14-T122 VanDerWaalsContact N-OG1 3.13Å
15E94.3Very high92.9Very high90 Ų9047.6 Ų47.642%0.42124%0.239SC..Hα-helixtrans-62.5-44.9178.5-65.177.8-175.800111.1P13 K19 K89P13-E15 PolarHBondContact O-N 3.42Å; E15-K19 WeakPolarHBondContact O-CB 3.26Å; E15-K19 PolarHBondContact O-N 2.77Å; E15-K89 WeakPolarHBondContact OE1-CE 3.14Å; E15-K89 IonicContact OE1-NZ 3.12Å; E15-K89 PolarHBondContact OE1-NZ 2.86Å
16T93.5Very high92.9Very high34 Ų3448.4 Ų48.421%0.20925%0.246CC..Hα-helixtrans-66.4-45.1177.8-62.10000110.9P13 K19 A20 I164P13-T16 PolarHBondContact O-N 3.38Å; P13-T16 VanDerWaalsContact O-N 3.08Å; T16-K19 PolarHBondContact O-N 2.92Å; T16-A20 WeakPolarHBondContact O-CB 3.41Å; T16-A20 PolarHBondContact O-N 3.36Å; T16-I164 HydrophobicContact CG2-CB 4.5Å; T16-I164 HydrophobicContact CG2-CG1 4.24Å; T16-I164 HydrophobicContact CG2-CG2 3.7Å
17V94.9Very high92.8Very high0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-63.8-43.71781770000110.9F10 H12 P13 W14 K19 A20 A21 Y112 T122 M160 I164F10-V17 HydrophobicContact CB-CG2 3.96Å; F10-V17 HydrophobicContact CD2-CG1 4.16Å; F10-V17 HydrophobicContact CG-CG2 4.33Å; H12-V17 HydrophobicContact CB-CG2 3.8Å; P13-V17 PolarHBondContact O-N 3.48Å; P13-V17 VanDerWaalsContact O-N 3.07Å; W14-V17 PolarHBondContact O-N 3.44Å; V17-K19 PolarHBondContact O-N 3.25Å; V17-A20 PolarHBondContact O-N 2.93Å; V17-A21 WeakPolarHBondContact O-CB 3.38Å; V17-A21 PolarHBondContact O-N 3.49Å; V17-Y112 HydrophobicContact CG1-CD1 3.65Å; V17-Y112 HydrophobicContact CG1-CE1 3.9Å; V17-T122 HydrophobicContact CB-CG2 4.21Å; V17-T122 HydrophobicContact CG1-CG2 4.09Å; V17-T122 HydrophobicContact CG2-CG2 4.35Å; V17-M160 HydrophobicContact CG1-CE 3.85Å; V17-M160 VanDerWaalsContact O-CE 3.31Å; V17-M160 WeakPolarHBondContact O-CE 3.37Å; V17-I164 HydrophobicContact CG2-CD1 4.21Å
18T94.7Very high92.4Very high11 Ų1145.2 Ų45.27%0.06724%0.235CC..Hα-helixtrans-64.2-43178.8-60.40000111.2W14 A21 M22 V84 F91W14-T18 HydrophobicContact CZ2-CG2 4.33Å; W14-T18 PolarHBondContact NE1-OG1 3.09Å; W14-T18 VanDerWaalsContact O-CB 3.25Å; W14-T18 WeakPolarHBondContact O-CB 3.45Å; W14-T18 PolarHBondContact O-N 3.29Å; W14-T18 PolarHBondContact O-OG1 3.44Å; T18-A21 PolarHBondContact O-N 3.43Å; T18-M22 WeakPolarHBondContact O-CG 3.32Å; T18-M22 PolarHBondContact O-N 2.91Å; T18-V84 HydrophobicContact CG2-CG1 4.09Å; T18-V84 HydrophobicContact CG2-CG2 4.19Å; T18-F91 HydrophobicContact CG2-CB 4.21Å; T18-F91 HydrophobicContact CG2-CD1 4.24Å; T18-F91 HydrophobicContact CG2-CG 4.11Å
19K93.5Very high92Very high95 Ų9546 Ų4641%0.41324%0.239SC..Hα-helixtrans-61.7-45.1175.1-173.2179.6-179.2-170.80111.5E15 T16 V17 A21 M22 Q23 L167E15-K19 WeakPolarHBondContact O-CB 3.26Å; E15-K19 PolarHBondContact O-N 2.77Å; T16-K19 PolarHBondContact O-N 2.92Å; V17-K19 PolarHBondContact O-N 3.25Å; K19-A21 VanDerWaalsContact C-N 3.34Å; K19-A21 PolarHBondContact O-N 2.91Å; K19-M22 PolarHBondContact O-N 3.39Å; K19-Q23 PolarHBondContact O-N 3.39Å; K19-L167 HydrophobicContact CB-CD1 4.41Å; K19-L167 HydrophobicContact CD-CD1 4.22Å; K19-L167 HydrophobicContact CD-CD2 4.49Å; K19-L167 HydrophobicContact CG-CD1 3.99Å
20A93.8Very high91.4Very high0 Ų043.8 Ų43.80%023%0.228CC..Hα-helixtrans-63-39.8176.600000112.1T16 V17 M22 Q23 K24 M160 V163 I164 L167T16-A20 WeakPolarHBondContact O-CB 3.41Å; T16-A20 PolarHBondContact O-N 3.36Å; V17-A20 PolarHBondContact O-N 2.93Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.42Å; A20-Q23 CarbonylContact O-C 3.49Å; A20-Q23 VanDerWaalsContact O-C 3.23Å; A20-Q23 PolarHBondContact O-N 2.87Å; A20-Q23 VanDerWaalsContact O-N 3.08Å; A20-K24 WeakPolarHBondContact O-CA 3.43Å; A20-K24 PolarHBondContact O-N 2.87Å; A20-M160 HydrophobicContact CB-CE 3.73Å; A20-M160 HydrophobicContact CB-SD 4.45Å; A20-V163 HydrophobicContact CB-CB 4.28Å; A20-V163 HydrophobicContact CB-CG1 3.82Å; A20-I164 HydrophobicContact CB-CD1 4.3Å; A20-I164 HydrophobicContact CB-CG1 3.42Å; A20-I164 VanDerWaalsContact CB-CG1 3.42Å; A20-L167 HydrophobicContact CB-CD1 3.99Å
21A93Very high90.7Very high4 Ų448.6 Ų48.63%0.03326%0.259CS..Hα-helixtrans-66.5-35.9179.200000112.2V17 T18 K19 Q23 K24 F91 M160V17-A21 WeakPolarHBondContact O-CB 3.38Å; V17-A21 PolarHBondContact O-N 3.49Å; T18-A21 PolarHBondContact O-N 3.43Å; K19-A21 VanDerWaalsContact C-N 3.34Å; K19-A21 PolarHBondContact O-N 2.91Å; A21-Q23 PolarHBondContact O-N 3.4Å; A21-K24 WeakPolarHBondContact O-CB 3.4Å; A21-K24 PolarHBondContact O-N 2.79Å; A21-F91 HydrophobicContact CB-CD1 4.31Å; A21-F91 HydrophobicContact CB-CE1 3.56Å; A21-F91 HydrophobicContact CB-CZ 4.41Å; A21-M160 VanDerWaalsContact CA-SD 3.6Å; A21-M160 HydrophobicContact CB-CE 3.82Å; A21-M160 HydrophobicContact CB-SD 3.98Å
22M91.6Very high90.1Very high44 Ų4444.7 Ų44.722%0.21725%0.246CC..Hα-helixtrans-64.8-29.6173-74-70.9164.900112.6T18 K19 A20 R53 V84 F91T18-M22 WeakPolarHBondContact O-CG 3.32Å; T18-M22 PolarHBondContact O-N 2.91Å; K19-M22 PolarHBondContact O-N 3.39Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.42Å; M22-R53 PolarHBondContact O-NH1 2.91Å; M22-V84 HydrophobicContact CE-CG2 3.49Å; M22-V84 VanDerWaalsContact CE-CG2 3.49Å; M22-F91 HydrophobicContact CE-CD2 4.2Å; M22-F91 HydrophobicContact CE-CE2 3.34Å; M22-F91 HydrophobicContact CE-CZ 3.63Å
23Q90Very high89.6Confident73 Ų7344.2 Ų44.234%0.34125%0.245SC..THydrogen-bonded Turntrans-10920.8-178.9-57.4-175.124.300113.1K19 A20 A21 Y25 V163K19-Q23 PolarHBondContact O-N 3.39Å; A20-Q23 CarbonylContact O-C 3.49Å; A20-Q23 VanDerWaalsContact O-C 3.23Å; A20-Q23 PolarHBondContact O-N 2.87Å; A20-Q23 VanDerWaalsContact O-N 3.08Å; A21-Q23 PolarHBondContact O-N 3.4Å; Q23-Y25 PolarHBondContact O-N 3.01Å; Q23-Y25 VanDerWaalsContact O-N 3.09Å; Q23-V163 HydrophobicContact CB-CG1 4.32Å
24K90.4Very high89.3Confident37 Ų3746.3 Ų46.316%0.16126%0.257CS..  trans-56.6-32.5-172.9-176.8178.6177.2-171.50112.6A20 A21 N27 M160A20-K24 WeakPolarHBondContact O-CA 3.43Å; A20-K24 PolarHBondContact O-N 2.87Å; A21-K24 WeakPolarHBondContact O-CB 3.4Å; A21-K24 PolarHBondContact O-N 2.79Å; K24-N27 WeakPolarHBondContact O-CB 3.28Å; K24-N27 PolarHBondContact O-ND2 2.95Å; K24-M160 HydrophobicContact CB-SD 4.46Å; K24-M160 HydrophobicContact CD-SD 4.31Å; K24-M160 HydrophobicContact CG-SD 4.31Å
25Y88.6Confident88.9Confident58 Ų5846.7 Ų46.723%0.22727%0.266CS..  trans-115.9144.5-178.1-57.5-71.8000111.3Q23 N27 N30 V33 V36 L55Q23-Y25 PolarHBondContact O-N 3.01Å; Q23-Y25 VanDerWaalsContact O-N 3.09Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.42Å; Y25-N27 VanDerWaalsContact CE1-ND2 3.3Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.18Å; Y25-N30 HydrophobicContact CE1-CB 3.94Å; Y25-V33 HydrophobicContact CD1-CB 3.82Å; Y25-V33 HydrophobicContact CD1-CG1 3.91Å; Y25-V33 HydrophobicContact CD1-CG2 4.03Å; Y25-V33 HydrophobicContact CD2-CG1 4.3Å; Y25-V33 HydrophobicContact CE1-CB 3.86Å; Y25-V33 HydrophobicContact CE1-CG1 4.16Å; Y25-V33 HydrophobicContact CE1-CG2 3.52Å; Y25-V33 HydrophobicContact CE2-CG1 4.5Å; Y25-V33 HydrophobicContact CG-CB 4.42Å; Y25-V33 HydrophobicContact CG-CG1 4Å; Y25-V36 HydrophobicContact CD2-CG2 3.95Å; Y25-V36 HydrophobicContact CG-CG2 4.11Å; Y25-L55 HydrophobicContact CD2-CD2 4.36Å; Y25-L55 HydrophobicContact CE2-CD2 3.87Å
26P88.1Confident88.9Confident106 Ų10644.8 Ų44.869%0.68826%0.26SS*.SBendcis-75152.6-3.131.5-35.3000112.9
27N87.7Confident88.9Confident12 Ų1248 Ų486%0.06428%0.276CS..  trans-145152.9172.166.782.2000111.2K24 Y25 M29 N30 A159 W162K24-N27 WeakPolarHBondContact O-CB 3.28Å; K24-N27 PolarHBondContact O-ND2 2.95Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.42Å; Y25-N27 VanDerWaalsContact CE1-ND2 3.3Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.18Å; N27-M29 VanDerWaalsContact C-N 3.28Å; N27-M29 PolarHBondContact O-N 2.92Å; N27-M29 PolarHBondContact OD1-N 3.31Å; N27-N30 PolarHBondContact OD1-N 3.43Å; N27-N30 PolarHBondContact OD1-ND2 3Å; N27-A159 HydrophobicContact CB-CB 4.13Å; N27-A159 VanDerWaalsContact CG-CB 3.46Å; N27-A159 VanDerWaalsContact OD1-CB 3.32Å; N27-A159 WeakPolarHBondContact OD1-CB 3.49Å; N27-W162 HydrophobicContact CB-CE3 4.2Å; N27-W162 HydrophobicContact CB-CZ3 4.36Å
28P82.8Confident89Confident76 Ų7651.5 Ų51.549%0.49430%0.297SS..THydrogen-bonded Turntrans-68.8-21.6-17726.2-35.2000114.4W162P28-W162 HydrophobicContact CG-CD2 4.25Å; P28-W162 HydrophobicContact CG-CG 4.45Å
29M85.5Confident89Confident67 Ų6756 Ų5633%0.3332%0.32SS..THydrogen-bonded Turntrans-79-25-176-54.8-53.3176.300112.9N27 P31 K155 E158 A159N27-M29 VanDerWaalsContact C-N 3.28Å; N27-M29 PolarHBondContact O-N 2.92Å; N27-M29 PolarHBondContact OD1-N 3.31Å; M29-P31 VanDerWaalsContact C-CD 3.43Å; M29-P31 WeakPolarHBondContact O-CD 3.42Å; M29-K155 HydrophobicContact CB-CB 4.43Å; M29-E158 HydrophobicContact CG-CB 3.98Å; M29-A159 HydrophobicContact CB-CB 4.25Å; M29-A159 HydrophobicContact CG-CB 4.49Å
30N82.3Confident89.1Confident21 Ų2155.4 Ų55.411%0.11232%0.321CS..  trans-125.866.3-178.9-62.2-71000111.1Y25 N27 G32 V33 K155Y25-N30 HydrophobicContact CE1-CB 3.94Å; N27-N30 PolarHBondContact OD1-N 3.43Å; N27-N30 PolarHBondContact OD1-ND2 3Å; N30-G32 PolarHBondContact O-N 3.12Å; N30-V33 HydrophobicContact CB-CG2 4.44Å; N30-V33 PolarHBondContact O-N 2.99Å; N30-K155 PolarHBondContact ND2-O 3.22Å; N30-K155 WeakPolarHBondContact OD1-CB 2.95Å
31P80Confident89.3Confident102 Ų10260.9 Ų60.966%0.66234%0.342SS*.THydrogen-bonded Turntrans-66.4-17.3179.829.6-36.4000112.8M29 V33M29-P31 VanDerWaalsContact C-CD 3.43Å; M29-P31 WeakPolarHBondContact O-CD 3.42Å; P31-V33 PolarHBondContact O-N 3.49Å
32G81.1Confident89.5Confident30 Ų3064.9 Ų64.931%0.30936%0.36SS..THydrogen-bonded Turntrans-70.6-12.6177.600000114N30 V34 T57 E58N30-G32 PolarHBondContact O-N 3.12Å; G32-V34 PolarHBondContact O-N 3.47Å; G32-T57 CarbonylContact O-C 3.59Å; G32-T57 WeakPolarHBondContact O-CA 3.23Å; G32-E58 PolarHBondContact O-N 2.76Å
33V85.3Confident89.8Confident25 Ų2567.2 Ų67.215%0.15238%0.376CS..EExtended strand (participates in β ladder)trans-88.2101.2171.9-175.10000108.1Y25 N30 P31 V36 L55 T57Y25-V33 HydrophobicContact CD1-CB 3.82Å; Y25-V33 HydrophobicContact CD1-CG1 3.91Å; Y25-V33 HydrophobicContact CD1-CG2 4.03Å; Y25-V33 HydrophobicContact CD2-CG1 4.3Å; Y25-V33 HydrophobicContact CE1-CB 3.86Å; Y25-V33 HydrophobicContact CE1-CG1 4.16Å; Y25-V33 HydrophobicContact CE1-CG2 3.52Å; Y25-V33 HydrophobicContact CE2-CG1 4.5Å; Y25-V33 HydrophobicContact CG-CB 4.42Å; Y25-V33 HydrophobicContact CG-CG1 4Å; N30-V33 HydrophobicContact CB-CG2 4.44Å; N30-V33 PolarHBondContact O-N 2.99Å; P31-V33 PolarHBondContact O-N 3.49Å; V33-V36 HydrophobicContact CG1-CG2 3.8Å; V33-L55 HydrophobicContact CG1-CD2 4.48Å; V33-T57 HydrophobicContact CB-CG2 4.44Å; V33-T57 HydrophobicContact CG1-CG2 4.43Å; V33-T57 HydrophobicContact CG2-CG2 3.95Å
34V87.3Confident90Very high74 Ų7465.3 Ų65.345%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-88.3-23-170.9-620000113G32 S56 E58G32-V34 PolarHBondContact O-N 3.47Å; V34-S56 WeakPolarHBondContact CG2-O 3.25Å; V34-S56 WeakPolarHBondContact CG2-OG 3.4Å; V34-S56 PolarHBondContact N-O 3.25Å; V34-E58 HydrophobicContact CG1-CB 4.33Å; V34-E58 HydrophobicContact CG1-CG 3.98Å
35G88.9Confident90.3Very high22 Ų2270.8 Ų70.823%0.22741%0.405CS..EExtended strand (participates in β ladder)trans-161.7147.4178.900000112.8S56G35-S56 VanDerWaalsContact CA-OG 3.3Å; G35-S56 WeakPolarHBondContact CA-OG 3.36Å; G35-S56 PolarHBondContact N-O 3.06Å; G35-S56 PolarHBondContact N-OG 3.44Å; G35-S56 VanDerWaalsContact N-OG 3.09Å; G35-S56 PolarHBondContact O-N 3.08Å; G35-S56 PolarHBondContact O-OG 3.36Å; G35-S56 VanDerWaalsContact O-OG 3.1Å
36V93Very high90.5Very high49 Ų4973.1 Ų73.130%0.29742%0.418SS..EExtended strand (participates in β ladder)trans-136.2117.7178.1-1760000108.8Y25 V33 R53 L54 L55Y25-V36 HydrophobicContact CD2-CG2 3.95Å; Y25-V36 HydrophobicContact CG-CG2 4.11Å; V33-V36 HydrophobicContact CG1-CG2 3.8Å; V36-R53 HydrophobicContact CG1-CB 4.49Å; V36-L54 WeakPolarHBondContact CA-O 3.37Å; V36-L55 HydrophobicContact CG1-CD1 4.41Å; V36-L55 HydrophobicContact CG1-CG 4.21Å; V36-L55 HydrophobicContact CG2-CD2 4.49Å; V36-L55 HydrophobicContact CG2-CG 4.07Å
37D95.1Very high90.8Very high102 Ų10269.7 Ų69.755%0.54540%0.402SS..EExtended strand (participates in β ladder)trans-114.7139.6178.4-67.7-44.3000110.7R53 L54D37-R53 CarbonylContact O-C 3.52Å; D37-R53 WeakPolarHBondContact O-CA 3.35Å; D37-L54 PolarHBondContact N-O 3.39Å; D37-L54 PolarHBondContact O-N 2.82Å
38V95.7Very high91.2Very high73 Ų7372.3 Ų72.344%0.44241%0.411SS..EExtended strand (participates in β ladder)trans-91108.6171.8-176.50000107.9R41 R53V38-R41 HydrophobicContact CG1-CB 4.01Å; V38-R53 HydrophobicContact CG2-CG 4.15Å
39L95.9Very high91.9Very high106 Ų10671.1 Ų71.156%0.55540%0.4SS*.EExtended strand (participates in β ladder)trans-76.2-39.6-179.2-58.9-176.4000112N52 L54L39-N52 HydrophobicContact CB-CB 4.49Å; L39-N52 PolarHBondContact N-O 3.04Å; L39-L54 HydrophobicContact CD1-CB 4.02Å; L39-L54 HydrophobicContact CD2-CB 4.01Å; L39-L54 HydrophobicContact CG-CB 4Å
40N96.2Very high92.5Very high83 Ų8369.9 Ų69.944%0.44439%0.392SS..EExtended strand (participates in β ladder)trans-152.5142.8178.8-174-7.1000109.2S51 N52N40-S51 WeakPolarHBondContact O-CA 3.42Å; N40-N52 HydrophobicContact CB-CB 4.34Å; N40-N52 PolarHBondContact N-O 2.86Å; N40-N52 PolarHBondContact O-N 2.85Å
41R97.4Very high93.2Very high115 Ų11568.9 Ų68.943%0.43439%0.387SS..EExtended strand (participates in β ladder)trans-145.3128.2171.3177.6169.7-74164.8-3109.6V38 L49 Y50 S51V38-R41 HydrophobicContact CG1-CB 4.01Å; R41-L49 HydrophobicContact CG-CD1 3.65Å; R41-Y50 VanDerWaalsContact CA-O 3.27Å; R41-Y50 WeakPolarHBondContact CA-O 3.37Å; R41-S51 PolarHBondContact NE-OG 3.3Å; R41-S51 PolarHBondContact NH2-OG 3.43Å
42H97.1Very high94Very high87 Ų8766 Ų6640%0.40337%0.366SS..EExtended strand (participates in β ladder)trans-148.2159.9177.266.4-81.1000111Y50H42-Y50 VanDerWaalsContact CE1-CB 3.44Å; H42-Y50 WeakPolarHBondContact CE1-CB 3.39Å; H42-Y50 AromaticContact CE1-CG 3.98Å; H42-Y50 PolarHBondContact N-O 3.09Å; H42-Y50 AromaticContact NE2-CD2 3.97Å; H42-Y50 AromaticContact NE2-CG 3.88Å; H42-Y50 PolarHBondContact O-N 3.21Å
43V97.6Very high94.7Very high94 Ų9465.2 Ų65.257%0.5735%0.354SS*.EExtended strand (participates in β ladder)trans-106.1131.1172.6-179.10000107.6R48 L49V43-R48 WeakPolarHBondContact CA-O 3.43Å; V43-L49 HydrophobicContact CG2-CD1 3.85Å
44D94.8Very high95.1Very high33 Ų3366 Ų6618%0.17636%0.357CS..  trans-79.4176.2177.878.4-2000112.3Q46 G47 R48 Y50D44-Q46 PolarHBondContact O-N 3.17Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.25Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.43Å; D44-Q46 PolarHBondContact OD1-N 3.46Å; D44-G47 PolarHBondContact O-N 3.08Å; D44-G47 VanDerWaalsContact O-N 3.12Å; D44-G47 PolarHBondContact OD1-N 3.43Å; D44-R48 PolarHBondContact N-O 3.35Å; D44-R48 PolarHBondContact OD1-N 2.98Å; D44-R48 IonicContact OD2-CZ 2.67Å; D44-R48 IonicContact OD2-NE 3.03Å; D44-R48 PolarHBondContact OD2-NE 3.26Å; D44-R48 IonicContact OD2-NH2 2.74Å; D44-R48 PolarHBondContact OD2-NH2 2.91Å; D44-Y50 HydrophobicContact CB-CD2 4.19Å; D44-Y50 HydrophobicContact CB-CE2 3.81Å; D44-Y50 WeakPolarHBondContact OD2-CE2 3.41Å
45T95.1Very high95.4Very high152 Ų15262.9 Ų62.993%0.93334%0.338SS*.THydrogen-bonded Turntrans-65.2-17.3178.2540000113.6
46Q93.9Very high95.4Very high107 Ų10763 Ų6350%0.534%0.335SS..THydrogen-bonded Turntrans-89.3-10.7178.2-59.3-169.3-42.300112.5D44 R48 K87D44-Q46 PolarHBondContact O-N 3.17Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.25Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.43Å; D44-Q46 PolarHBondContact OD1-N 3.46Å; Q46-R48 HydrophobicContact CB-CG 4.47Å; Q46-K87 PolarHBondContact O-NZ 2.76Å
47G94.4Very high95Very high34 Ų3461.2 Ų61.235%0.35132%0.324SS..SBendtrans92.614.4-178.400000114.1D44 P86D44-G47 PolarHBondContact O-N 3.08Å; D44-G47 VanDerWaalsContact O-N 3.12Å; D44-G47 PolarHBondContact OD1-N 3.43Å; G47-P86 WeakPolarHBondContact O-CD 3.35Å
48R96.7Very high94.3Very high66 Ų6661.1 Ų61.125%0.24932%0.32CS..PPolyproline II helixtrans-87.3136.5178.4-57.2-179.7-63-170.4-3.2110.4V43 D44 Q46 Y50 V83 V84 D85V43-R48 WeakPolarHBondContact CA-O 3.43Å; D44-R48 PolarHBondContact N-O 3.35Å; D44-R48 PolarHBondContact OD1-N 2.98Å; D44-R48 IonicContact OD2-CZ 2.67Å; D44-R48 IonicContact OD2-NE 3.03Å; D44-R48 PolarHBondContact OD2-NE 3.26Å; D44-R48 IonicContact OD2-NH2 2.74Å; D44-R48 PolarHBondContact OD2-NH2 2.91Å; Q46-R48 HydrophobicContact CB-CG 4.47Å; R48-Y50 HydrophobicContact CB-CD2 4.5Å; R48-Y50 HydrophobicContact CB-CE2 3.92Å; R48-Y50 PolarHBondContact NE-OH 3.28Å; R48-Y50 PolarHBondContact NH2-OH 3.02Å; R48-V83 HydrophobicContact CB-CG1 4.28Å; R48-V84 CarbonylContact C-O 3.41Å; R48-V84 VanDerWaalsContact CA-O 3.28Å; R48-V84 WeakPolarHBondContact CA-O 3.5Å; R48-D85 VanDerWaalsContact CD-OD2 3.31Å; R48-D85 WeakPolarHBondContact CD-OD2 3.27Å; R48-D85 HydrophobicContact CG-CB 4.05Å
49L97.3Very high92.9Very high51 Ų5161 Ų6127%0.26731%0.312SS..EExtended strand (participates in β ladder)trans-90.5116.4178.8-18069.5000110.1R41 V43 V83 V84R41-L49 HydrophobicContact CG-CD1 3.65Å; V43-L49 HydrophobicContact CG2-CD1 3.85Å; L49-V83 WeakPolarHBondContact O-CA 3.48Å; L49-V84 HydrophobicContact CB-CB 4.19Å; L49-V84 PolarHBondContact N-O 3.26Å; L49-V84 PolarHBondContact O-N 3.48Å
50Y97.4Very high91.2Very high42 Ų4259.6 Ų59.617%0.16532%0.322CS..EExtended strand (participates in β ladder)trans-97.1132.2171.8-71.7-98000109.4R41 H42 D44 R48 H81 S82 V83R41-Y50 VanDerWaalsContact CA-O 3.27Å; R41-Y50 WeakPolarHBondContact CA-O 3.37Å; H42-Y50 VanDerWaalsContact CE1-CB 3.44Å; H42-Y50 WeakPolarHBondContact CE1-CB 3.39Å; H42-Y50 AromaticContact CE1-CG 3.98Å; H42-Y50 PolarHBondContact N-O 3.09Å; H42-Y50 AromaticContact NE2-CD2 3.97Å; H42-Y50 AromaticContact NE2-CG 3.88Å; H42-Y50 PolarHBondContact O-N 3.21Å; D44-Y50 HydrophobicContact CB-CD2 4.19Å; D44-Y50 HydrophobicContact CB-CE2 3.81Å; D44-Y50 WeakPolarHBondContact OD2-CE2 3.41Å; R48-Y50 HydrophobicContact CB-CD2 4.5Å; R48-Y50 HydrophobicContact CB-CE2 3.92Å; R48-Y50 PolarHBondContact NE-OH 3.28Å; R48-Y50 PolarHBondContact NH2-OH 3.02Å; Y50-H81 AromaticContact CD1-CE1 3.9Å; Y50-H81 AromaticContact CD1-NE2 3.67Å; Y50-S82 WeakPolarHBondContact CA-O 3.33Å; Y50-V83 HydrophobicContact CD1-CG1 4.41Å; Y50-V83 HydrophobicContact CD1-CG2 3.66Å; Y50-V83 HydrophobicContact CE1-CB 4.37Å; Y50-V83 HydrophobicContact CE1-CG1 3.97Å; Y50-V83 HydrophobicContact CE1-CG2 3.47Å; Y50-V83 VanDerWaalsContact CE1-CG2 3.47Å; Y50-V83 HydrophobicContact CE2-CG1 4.21Å
51S97.1Very high89.5Confident0 Ų057.2 Ų57.20%031%0.31CS..EExtended strand (participates in β ladder)trans-134.8129.3173.3-55.20000110.8N40 R41 S82N40-S51 WeakPolarHBondContact O-CA 3.42Å; R41-S51 PolarHBondContact NE-OG 3.3Å; R41-S51 PolarHBondContact NH2-OG 3.43Å; S51-S82 WeakPolarHBondContact CB-OG 3.48Å; S51-S82 PolarHBondContact N-O 3.18Å; S51-S82 PolarHBondContact O-N 3.12Å
52N96.4Very high87.7Confident41 Ų4155.9 Ų55.922%0.21932%0.316CS..EExtended strand (participates in β ladder)trans-106.7120.9169.9-66.6-5.9000108.2L39 N40 E80 H81L39-N52 HydrophobicContact CB-CB 4.49Å; L39-N52 PolarHBondContact N-O 3.04Å; N40-N52 HydrophobicContact CB-CB 4.34Å; N40-N52 PolarHBondContact N-O 2.86Å; N40-N52 PolarHBondContact O-N 2.85Å; N52-E80 CarbonylContact C-O 3.55Å; N52-E80 WeakPolarHBondContact CA-O 3.41Å; N52-H81 PolarHBondContact OD1-CD2 2.81Å
53R96.1Very high86.1Confident14 Ų1456.3 Ų56.35%0.05333%0.329CS..EExtended strand (participates in β ladder)trans-119.1148.3179.8-57.9-166.4-73.8-164.9-0.7110.6M22 V36 D37 V38 L55 E80M22-R53 PolarHBondContact O-NH1 2.91Å; V36-R53 HydrophobicContact CG1-CB 4.49Å; D37-R53 CarbonylContact O-C 3.52Å; D37-R53 WeakPolarHBondContact O-CA 3.35Å; V38-R53 HydrophobicContact CG2-CG 4.15Å; R53-L55 HydrophobicContact CB-CD1 4.06Å; R53-E80 HydrophobicContact CB-CB 4.33Å; R53-E80 IonicContact CZ-OE1 2.62Å; R53-E80 PolarHBondContact N-O 2.84Å; R53-E80 IonicContact NE-OE1 3.91Å; R53-E80 PolarHBondContact NE-OE1 3.24Å; R53-E80 IonicContact NH2-OE1 3.64Å; R53-E80 PolarHBondContact NH2-OE1 2.97Å; R53-E80 IonicContact NH2-OE2 3.76Å; R53-E80 PolarHBondContact O-N 3.4Å
54L94.8Very high84.4Confident42 Ų4258 Ų5822%0.2233%0.334CS..EExtended strand (participates in β ladder)trans-111.9121.5169.7-176.266.6000107.9V36 D37 L39 I98V36-L54 WeakPolarHBondContact CA-O 3.37Å; D37-L54 PolarHBondContact N-O 3.39Å; D37-L54 PolarHBondContact O-N 2.82Å; L39-L54 HydrophobicContact CD1-CB 4.02Å; L39-L54 HydrophobicContact CD2-CB 4.01Å; L39-L54 HydrophobicContact CG-CB 4Å; L54-I98 HydrophobicContact CD1-CD1 3.7Å
55L92.4Very high82.9Confident8 Ų857 Ų574%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-105131.1175.2-68.475000108.2Y25 V33 V36 R53 Y77 I78 E80Y25-L55 HydrophobicContact CD2-CD2 4.36Å; Y25-L55 HydrophobicContact CE2-CD2 3.87Å; V33-L55 HydrophobicContact CG1-CD2 4.48Å; V36-L55 HydrophobicContact CG1-CD1 4.41Å; V36-L55 HydrophobicContact CG1-CG 4.21Å; V36-L55 HydrophobicContact CG2-CD2 4.49Å; V36-L55 HydrophobicContact CG2-CG 4.07Å; R53-L55 HydrophobicContact CB-CD1 4.06Å; L55-Y77 WeakPolarHBondContact O-CA 3.3Å; L55-I78 HydrophobicContact CB-CB 4.27Å; L55-I78 PolarHBondContact N-O 2.97Å; L55-I78 PolarHBondContact O-N 3.13Å; L55-E80 HydrophobicContact CD1-CB 3.71Å
56S89.8Confident81.5Confident23 Ų2353.7 Ų53.716%0.16130%0.303CS..EExtended strand (participates in β ladder)trans-102.6126170.357.90000108.8V34 G35V34-S56 WeakPolarHBondContact CG2-O 3.25Å; V34-S56 WeakPolarHBondContact CG2-OG 3.4Å; V34-S56 PolarHBondContact N-O 3.25Å; G35-S56 VanDerWaalsContact CA-OG 3.3Å; G35-S56 WeakPolarHBondContact CA-OG 3.36Å; G35-S56 PolarHBondContact N-O 3.06Å; G35-S56 PolarHBondContact N-OG 3.44Å; G35-S56 VanDerWaalsContact N-OG 3.09Å; G35-S56 PolarHBondContact O-N 3.08Å; G35-S56 PolarHBondContact O-OG 3.36Å; G35-S56 VanDerWaalsContact O-OG 3.1Å
57T85.1Confident80.2Confident12 Ų1254.1 Ų54.17%0.07431%0.313CS..EExtended strand (participates in β ladder)trans-131135-175.865.80000111.7G32 V33 N75 T76 I78G32-T57 CarbonylContact O-C 3.59Å; G32-T57 WeakPolarHBondContact O-CA 3.23Å; V33-T57 HydrophobicContact CB-CG2 4.44Å; V33-T57 HydrophobicContact CG1-CG2 4.43Å; V33-T57 HydrophobicContact CG2-CG2 3.95Å; T57-N75 CarbonylContact O-C 3.55Å; T57-N75 WeakPolarHBondContact O-CA 3.32Å; T57-T76 PolarHBondContact N-O 3.37Å; T57-T76 PolarHBondContact O-N 3.41Å; T57-T76 PolarHBondContact O-OG1 3.05Å; T57-T76 PolarHBondContact OG1-OG1 3.09Å; T57-I78 HydrophobicContact CG2-CD1 3.92Å
58E79.3Confident78.7Confident100 Ų10056.7 Ų56.747%0.46732%0.318SS..EExtended strand (participates in β ladder)trans-89.9111.8170.6-80.2-175.2-170.400109.6G32 V34 G60 T74 N75G32-E58 PolarHBondContact O-N 2.76Å; V34-E58 HydrophobicContact CG1-CB 4.33Å; V34-E58 HydrophobicContact CG1-CG 3.98Å; E58-G60 PolarHBondContact O-N 2.89Å; E58-T74 WeakPolarHBondContact CA-O 3.43Å; E58-N75 WeakPolarHBondContact CG-OD1 3.31Å; E58-N75 PolarHBondContact OE1-OD1 3.48Å
59W66.5Low77Confident72 Ų7254.7 Ų54.727%0.27331%0.312SS..  trans-80.5115.3179.6-88.174.6000111.4L61 K66 T74 T76 M145 T148W59-L61 HydrophobicContact CB-CD1 4.43Å; W59-L61 HydrophobicContact CB-CG 4.16Å; W59-L61 HydrophobicContact CD2-CG 4.42Å; W59-L61 HydrophobicContact CE3-CD1 4.39Å; W59-L61 HydrophobicContact CE3-CD2 3.74Å; W59-L61 HydrophobicContact CE3-CG 3.76Å; W59-L61 HydrophobicContact CZ3-CD2 4.09Å; W59-L61 PolarHBondContact O-N 2.85Å; W59-K66 WeakPolarHBondContact O-CE 3.38Å; W59-T74 PolarHBondContact N-O 3.21Å; W59-T76 VanDerWaalsContact CD1-CG2 3.42Å; W59-T76 HydrophobicContact CG-CG2 4.15Å; W59-T76 PolarHBondContact NE1-OG1 3.07Å; W59-M145 HydrophobicContact CH2-CE 3.93Å; W59-M145 HydrophobicContact CZ3-CE 4.44Å; W59-T148 HydrophobicContact CZ3-CG2 4.05Å
60G59.4Low75.3Confident75 Ų7555 Ų5577%0.77333%0.327SS*.  trans-73.242.6165.700000113.4E58E58-G60 PolarHBondContact O-N 2.89Å
61L60.6Low73.6Confident33 Ų3355.1 Ų55.117%0.17333%0.331CS..  trans-60.5138.5176.8-78.7170.8000110.1W59 A65 K66 I69 I71W59-L61 HydrophobicContact CB-CD1 4.43Å; W59-L61 HydrophobicContact CB-CG 4.16Å; W59-L61 HydrophobicContact CD2-CG 4.42Å; W59-L61 HydrophobicContact CE3-CD1 4.39Å; W59-L61 HydrophobicContact CE3-CD2 3.74Å; W59-L61 HydrophobicContact CE3-CG 3.76Å; W59-L61 HydrophobicContact CZ3-CD2 4.09Å; W59-L61 PolarHBondContact O-N 2.85Å; L61-A65 HydrophobicContact CB-CB 4.39Å; L61-A65 HydrophobicContact CD2-CB 4.31Å; L61-K66 HydrophobicContact CB-CD 4.45Å; L61-K66 HydrophobicContact CB-CG 3.71Å; L61-K66 WeakPolarHBondContact O-CD 3.34Å; L61-K66 WeakPolarHBondContact O-CE 3.44Å; L61-I69 HydrophobicContact CD1-CD1 4.08Å; L61-I71 HydrophobicContact CD1-CD1 4.27Å
62P61.1Low71.5Confident87 Ų8761.8 Ų61.857%0.56537%0.371SS*.  trans-53.1143.5169.7-23.432.6000110.2L64 A65 K66P62-L64 PolarHBondContact O-N 3.3Å; P62-L64 VanDerWaalsContact O-N 3.09Å; P62-A65 WeakPolarHBondContact O-CB 3.48Å; P62-A65 PolarHBondContact O-N 2.91Å; P62-K66 PolarHBondContact O-N 2.98Å; P62-K66 VanDerWaalsContact O-N 3.11Å
63S62.2Low69.8Low97 Ų9769.6 Ų69.668%0.67840%0.398SS*.Hα-helixtrans-50.1-39.8-176.347.50000112.9A65 K66 T67S63-A65 VanDerWaalsContact C-N 3.34Å; S63-A65 PolarHBondContact O-N 3.3Å; S63-K66 PolarHBondContact O-N 3.4Å; S63-T67 PolarHBondContact O-N 3.08Å; S63-T67 PolarHBondContact O-OG1 3.49Å
64L61.5Low68.3Low130 Ų13073 Ų7368%0.68142%0.421SS*.Hα-helixtrans-60.7-40.6177.5-163.874000112.9P62 L68P62-L64 PolarHBondContact O-N 3.3Å; P62-L64 VanDerWaalsContact O-N 3.09Å; L64-L68 WeakPolarHBondContact O-CB 3.37Å; L64-L68 PolarHBondContact O-N 2.79Å
65A63.1Low67.3Low12 Ų1273.5 Ų73.510%0.09942%0.424CS..Hα-helixtrans-71.6-37.8177.100000111.3L61 P62 S63 T67 L68 I69L61-A65 HydrophobicContact CB-CB 4.39Å; L61-A65 HydrophobicContact CD2-CB 4.31Å; P62-A65 WeakPolarHBondContact O-CB 3.48Å; P62-A65 PolarHBondContact O-N 2.91Å; S63-A65 VanDerWaalsContact C-N 3.34Å; S63-A65 PolarHBondContact O-N 3.3Å; A65-T67 VanDerWaalsContact C-N 3.35Å; A65-T67 PolarHBondContact O-N 3.2Å; A65-L68 PolarHBondContact O-N 3.42Å; A65-I69 HydrophobicContact CB-CD1 4.28Å; A65-I69 VanDerWaalsContact O-CB 3.31Å; A65-I69 WeakPolarHBondContact O-CB 3.48Å; A65-I69 WeakPolarHBondContact O-CD1 3.45Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 2.72Å
66K66.9Low66.9Low82 Ų8273.7 Ų73.736%0.35743%0.425SS..Hα-helixtrans-59.8-45.4174.5-69-179.5170.9173.90111.7W59 L61 P62 S63 G70 I71W59-K66 WeakPolarHBondContact O-CE 3.38Å; L61-K66 HydrophobicContact CB-CD 4.45Å; L61-K66 HydrophobicContact CB-CG 3.71Å; L61-K66 WeakPolarHBondContact O-CD 3.34Å; L61-K66 WeakPolarHBondContact O-CE 3.44Å; P62-K66 PolarHBondContact O-N 2.98Å; P62-K66 VanDerWaalsContact O-N 3.11Å; S63-K66 PolarHBondContact O-N 3.4Å; K66-G70 PolarHBondContact O-N 2.82Å; K66-I71 PolarHBondContact O-N 2.89Å
67T66Low66.8Low116 Ų11677.5 Ų77.571%0.71244%0.436SS*.Hα-helixtrans-65.5-41.8177.5-52.40000111.8S63 A65 G70S63-T67 PolarHBondContact O-N 3.08Å; S63-T67 PolarHBondContact O-OG1 3.49Å; A65-T67 VanDerWaalsContact C-N 3.35Å; A65-T67 PolarHBondContact O-N 3.2Å; T67-G70 PolarHBondContact O-N 2.96Å
68L63.3Low67.1Low87 Ų8778.7 Ų78.746%0.45544%0.442SS..Hα-helixtrans-68.8-34.8-179.5-149.895.6000112.9L64 A65 I135 L141L64-L68 WeakPolarHBondContact O-CB 3.37Å; L64-L68 PolarHBondContact O-N 2.79Å; A65-L68 PolarHBondContact O-N 3.42Å; L68-I135 HydrophobicContact CD2-CG2 4.11Å; L68-L141 HydrophobicContact CD2-CD1 4.06Å
69I61.6Low67.9Low24 Ų2478.4 Ų78.412%0.12344%0.441CS..Hα-helixtrans-88.8-8-177.8-55.2165.6000110.7L61 A65 I71 I103L61-I69 HydrophobicContact CD1-CD1 4.08Å; A65-I69 HydrophobicContact CB-CD1 4.28Å; A65-I69 VanDerWaalsContact O-CB 3.31Å; A65-I69 WeakPolarHBondContact O-CB 3.48Å; A65-I69 WeakPolarHBondContact O-CD1 3.45Å; A65-I69 WeakPolarHBondContact O-CG1 3.46Å; A65-I69 PolarHBondContact O-N 2.72Å; I69-I71 HydrophobicContact CB-CD1 4.09Å; I69-I71 HydrophobicContact CB-CG1 3.9Å; I69-I71 HydrophobicContact CG2-CD1 3.47Å; I69-I71 VanDerWaalsContact CG2-CD1 3.47Å; I69-I71 HydrophobicContact CG2-CG1 3.43Å; I69-I71 VanDerWaalsContact CG2-CG1 3.43Å; I69-I71 PolarHBondContact O-N 3.32Å; I69-I103 HydrophobicContact CB-CD1 4.36Å; I69-I103 HydrophobicContact CG1-CG2 4.48Å; I69-I103 HydrophobicContact CG2-CB 4.27Å; I69-I103 HydrophobicContact CG2-CD1 3.38Å; I69-I103 HydrophobicContact CG2-CG1 4.39Å; I69-I103 HydrophobicContact CG2-CG2 4.01Å; I69-I103 VanDerWaalsContact O-CD1 3.3Å; I69-I103 WeakPolarHBondContact O-CD1 3.42Å
70G60.1Low69.3Low57 Ų5775.5 Ų75.559%0.58843%0.43SS*.THydrogen-bonded Turntrans65.521.1176.700000114.1K66 T67 T72K66-G70 PolarHBondContact O-N 2.82Å; T67-G70 PolarHBondContact O-N 2.96Å; G70-T72 PolarHBondContact O-N 3.43Å
71I61.8Low71Confident45 Ų4574.8 Ų74.823%0.23141%0.407CS..  trans-80.8108.7-175.6-49.2177.4000109.2L61 K66 I69 R73 C100L61-I71 HydrophobicContact CD1-CD1 4.27Å; K66-I71 PolarHBondContact O-N 2.89Å; I69-I71 HydrophobicContact CB-CD1 4.09Å; I69-I71 HydrophobicContact CB-CG1 3.9Å; I69-I71 HydrophobicContact CG2-CD1 3.47Å; I69-I71 VanDerWaalsContact CG2-CD1 3.47Å; I69-I71 HydrophobicContact CG2-CG1 3.43Å; I69-I71 VanDerWaalsContact CG2-CG1 3.43Å; I69-I71 PolarHBondContact O-N 3.32Å; I71-R73 WeakPolarHBondContact CG2-O 3.28Å; I71-C100 WeakPolarHBondContact CD1-SG 3.36Å
72T54.6Low72.8Confident140 Ų14073.2 Ų73.286%0.85940%0.398SS*.  trans-85.3-20171.847.40000113.2G70G70-T72 PolarHBondContact O-N 3.43Å
73R59Low74.5Confident205 Ų20570.2 Ų70.277%0.77438%0.378SS*.  trans-95.7128.7180-65.3-177.6177.8171.2-0.5111.1I71 N75I71-R73 WeakPolarHBondContact CG2-O 3.28Å; R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 3.06Å
74T65.6Low76.2Confident86 Ų8666.3 Ų66.353%0.52835%0.35SS..SBendtrans-71-23.4179.744.50000113.6E58 W59E58-T74 WeakPolarHBondContact CA-O 3.43Å; W59-T74 PolarHBondContact N-O 3.21Å
75N73.7Confident77.9Confident53 Ų5361.2 Ų61.228%0.28332%0.324SS..EExtended strand (participates in β ladder)trans-100.9127.4-170.5-59.79.6000110.9T57 E58 R73T57-N75 CarbonylContact O-C 3.55Å; T57-N75 WeakPolarHBondContact O-CA 3.32Å; E58-N75 WeakPolarHBondContact CG-OD1 3.31Å; E58-N75 PolarHBondContact OE1-OD1 3.48Å; R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 3.06Å
76T82.9Confident79.4Confident11 Ų1164.3 Ų64.37%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-111.5153.1170.775.30000110.1T57 W59T57-T76 PolarHBondContact N-O 3.37Å; T57-T76 PolarHBondContact O-N 3.41Å; T57-T76 PolarHBondContact O-OG1 3.05Å; T57-T76 PolarHBondContact OG1-OG1 3.09Å; W59-T76 VanDerWaalsContact CD1-CG2 3.42Å; W59-T76 HydrophobicContact CG-CG2 4.15Å; W59-T76 PolarHBondContact NE1-OG1 3.07Å
77Y89.1Confident80.6Confident103 Ų10367.9 Ų67.940%0.40436%0.358SS..EExtended strand (participates in β ladder)trans-114.5137.8-179.6-59.7-75.1000110.2L55 I98 S99L55-Y77 WeakPolarHBondContact O-CA 3.3Å; Y77-I98 PolarHBondContact O-N 3.43Å; Y77-S99 WeakPolarHBondContact CD2-OG 3.39Å; Y77-S99 PolarHBondContact N-OG 3.2Å; Y77-S99 PolarHBondContact O-N 3.39Å
78I91.4Very high81.9Confident38 Ų3869.1 Ų69.120%0.19536%0.356CS..EExtended strand (participates in β ladder)trans-123.4127.5177.2-59.3167.2000107L55 T57L55-I78 HydrophobicContact CB-CB 4.27Å; L55-I78 PolarHBondContact N-O 2.97Å; L55-I78 PolarHBondContact O-N 3.13Å; T57-I78 HydrophobicContact CG2-CD1 3.92Å
79Q94.7Very high83.4Confident94 Ų9469 Ų6944%0.43935%0.352SS..EExtended strand (participates in β ladder)trans-89.5133.2169.5-174.9171.2-1600108.6S95 T96 I98Q79-S95 WeakPolarHBondContact O-CA 3.43Å; Q79-T96 PolarHBondContact N-O 2.9Å; Q79-T96 PolarHBondContact O-N 3.35Å; Q79-I98 HydrophobicContact CB-CD1 3.66Å; Q79-I98 HydrophobicContact CB-CG1 3.83Å
80E95.9Very high85.1Confident10 Ų1069 Ų695%0.04735%0.353CS..EExtended strand (participates in β ladder)trans-123.9130.7176.5-171.6-166.187.500109.7N52 R53 L55 L93 Q94 S95N52-E80 CarbonylContact C-O 3.55Å; N52-E80 WeakPolarHBondContact CA-O 3.41Å; R53-E80 HydrophobicContact CB-CB 4.33Å; R53-E80 IonicContact CZ-OE1 2.62Å; R53-E80 PolarHBondContact N-O 2.84Å; R53-E80 IonicContact NE-OE1 3.91Å; R53-E80 PolarHBondContact NE-OE1 3.24Å; R53-E80 IonicContact NH2-OE1 3.64Å; R53-E80 PolarHBondContact NH2-OE1 2.97Å; R53-E80 IonicContact NH2-OE2 3.76Å; R53-E80 PolarHBondContact O-N 3.4Å; L55-E80 HydrophobicContact CD1-CB 3.71Å; E80-L93 VanDerWaalsContact CD-CD1 3.45Å; E80-L93 HydrophobicContact CG-CD1 4.12Å; E80-L93 HydrophobicContact CG-CD2 3.66Å; E80-L93 HydrophobicContact CG-CG 3.68Å; E80-L93 WeakPolarHBondContact OE2-CD1 3.46Å; E80-Q94 CarbonylContact C-O 3.55Å; E80-Q94 VanDerWaalsContact CA-O 3.31Å; E80-Q94 WeakPolarHBondContact CA-O 3.43Å; E80-S95 WeakPolarHBondContact CG-OG 3.18Å
81H96.9Very high86.9Confident61 Ų6166.3 Ų66.328%0.28233%0.325SS..EExtended strand (participates in β ladder)trans-117125.8173.4175.4-82.5000108.6Y50 N52 V83 Q94Y50-H81 AromaticContact CD1-CE1 3.9Å; Y50-H81 AromaticContact CD1-NE2 3.67Å; N52-H81 PolarHBondContact OD1-CD2 2.81Å; H81-V83 WeakPolarHBondContact CE1-CG2 3.36Å; H81-Q94 PolarHBondContact N-O 2.89Å; H81-Q94 PolarHBondContact O-N 3.36Å
82S96.9Very high88.5Confident0 Ų066.7 Ų66.70%033%0.326CS..EExtended strand (participates in β ladder)trans-130.4141.6-177.783.70000112Y50 S51 E92Y50-S82 WeakPolarHBondContact CA-O 3.33Å; S51-S82 WeakPolarHBondContact CB-OG 3.48Å; S51-S82 PolarHBondContact N-O 3.18Å; S51-S82 PolarHBondContact O-N 3.12Å; S82-E92 CarbonylContact C-O 3.23Å; S82-E92 WeakPolarHBondContact CA-O 3.31Å
83V97.5Very high90.5Very high24 Ų2460.6 Ų60.615%0.14529%0.288CS..EExtended strand (participates in β ladder)trans-127.1123.3178.3-171.10000109R48 L49 Y50 H81 F91 E92R48-V83 HydrophobicContact CB-CG1 4.28Å; L49-V83 WeakPolarHBondContact O-CA 3.48Å; Y50-V83 HydrophobicContact CD1-CG1 4.41Å; Y50-V83 HydrophobicContact CD1-CG2 3.66Å; Y50-V83 HydrophobicContact CE1-CB 4.37Å; Y50-V83 HydrophobicContact CE1-CG1 3.97Å; Y50-V83 HydrophobicContact CE1-CG2 3.47Å; Y50-V83 VanDerWaalsContact CE1-CG2 3.47Å; Y50-V83 HydrophobicContact CE2-CG1 4.21Å; H81-V83 WeakPolarHBondContact CE1-CG2 3.36Å; V83-F91 WeakPolarHBondContact O-CA 3.4Å; V83-F91 WeakPolarHBondContact O-CD2 3.45Å; V83-E92 PolarHBondContact N-O 2.85Å; V83-E92 PolarHBondContact O-N 2.83Å
84V97.6Very high92.2Very high15 Ų1555.2 Ų55.29%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-108.9120.1172.1-174.40000108.4W14 T18 M22 R48 L49 F91W14-V84 HydrophobicContact CH2-CG1 3.72Å; W14-V84 HydrophobicContact CZ2-CG1 3.96Å; T18-V84 HydrophobicContact CG2-CG1 4.09Å; T18-V84 HydrophobicContact CG2-CG2 4.19Å; M22-V84 HydrophobicContact CE-CG2 3.49Å; M22-V84 VanDerWaalsContact CE-CG2 3.49Å; R48-V84 CarbonylContact C-O 3.41Å; R48-V84 VanDerWaalsContact CA-O 3.28Å; R48-V84 WeakPolarHBondContact CA-O 3.5Å; L49-V84 HydrophobicContact CB-CB 4.19Å; L49-V84 PolarHBondContact N-O 3.26Å; L49-V84 PolarHBondContact O-N 3.48Å; V84-F91 HydrophobicContact CB-CD2 4.35Å; V84-F91 HydrophobicContact CG2-CD2 3.4Å; V84-F91 VanDerWaalsContact CG2-CD2 3.4Å; V84-F91 HydrophobicContact CG2-CE2 3.78Å; V84-F91 HydrophobicContact CG2-CG 4.24Å
85D96.8Very high93.6Very high23 Ų2351.9 Ų51.912%0.12325%0.252CS..EExtended strand (participates in β ladder)trans-104107.6168.9-166.4-36.7000109.7R48 K87 E88 K89 T90R48-D85 VanDerWaalsContact CD-OD2 3.31Å; R48-D85 WeakPolarHBondContact CD-OD2 3.27Å; R48-D85 HydrophobicContact CG-CB 4.05Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 WeakPolarHBondContact OD1-CA 3.07Å; D85-K87 WeakPolarHBondContact OD1-CB 3.45Å; D85-K87 PolarHBondContact OD1-N 2.78Å; D85-E88 HydrophobicContact CB-CB 4.32Å; D85-E88 PolarHBondContact OD1-N 2.89Å; D85-E88 VanDerWaalsContact OD1-N 3.09Å; D85-K89 VanDerWaalsContact O-CA 3.27Å; D85-K89 WeakPolarHBondContact O-CA 3.48Å; D85-K89 PolarHBondContact O-N 2.74Å; D85-T90 WeakPolarHBondContact CB-OG1 3.46Å; D85-T90 PolarHBondContact N-O 2.89Å; D85-T90 PolarHBondContact O-N 2.91Å
86P94.3Very high94.4Very high76 Ų7652 Ų5249%0.49425%0.254SS..THydrogen-bonded Turntrans-74.6-19.5179.330.2-34.6000113.6G47G47-P86 WeakPolarHBondContact O-CD 3.35Å
87K93.3Very high94.7Very high158 Ų15852.5 Ų52.569%0.68726%0.257SS*.THydrogen-bonded Turntrans-78.7-48.9179.3-68.5173.2177164.20110.4Q46 D85 K89Q46-K87 PolarHBondContact O-NZ 2.76Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 WeakPolarHBondContact OD1-CA 3.07Å; D85-K87 WeakPolarHBondContact OD1-CB 3.45Å; D85-K87 PolarHBondContact OD1-N 2.78Å; K87-K89 VanDerWaalsContact C-N 3.27Å; K87-K89 PolarHBondContact O-N 3.09Å
88E93.5Very high94.7Very high141 Ų14151.4 Ų51.466%0.65926%0.257SS*.THydrogen-bonded Turntrans-82.7-5.6177.8-63.9-59.7136.900112.8D85 T90D85-E88 HydrophobicContact CB-CB 4.32Å; D85-E88 PolarHBondContact OD1-N 2.89Å; D85-E88 VanDerWaalsContact OD1-N 3.09Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 HydrophobicContact CB-CG2 4Å; E88-T90 WeakPolarHBondContact O-CG2 3.27Å; E88-T90 PolarHBondContact O-N 2.81Å
89K94.9Very high94.2Very high84 Ų8450.9 Ų50.937%0.36526%0.257SS..THydrogen-bonded Turntrans49.152-172.3-60-166.3179.4-157.80111.6W14 E15 D85 K87 P114W14-K89 HydrophobicContact CD2-CB 3.98Å; W14-K89 VanDerWaalsContact CE2-C 3.45Å; W14-K89 HydrophobicContact CE3-CB 4Å; W14-K89 HydrophobicContact CE3-CD 4.42Å; W14-K89 HydrophobicContact CE3-CG 4.21Å; W14-K89 HydrophobicContact CG-CB 4.44Å; W14-K89 HydrophobicContact CZ3-CB 4.3Å; W14-K89 HydrophobicContact CZ3-CG 4.38Å; W14-K89 PolarHBondContact NE1-O 3.1Å; E15-K89 WeakPolarHBondContact OE1-CE 3.14Å; E15-K89 IonicContact OE1-NZ 3.12Å; E15-K89 PolarHBondContact OE1-NZ 2.86Å; D85-K89 VanDerWaalsContact O-CA 3.27Å; D85-K89 WeakPolarHBondContact O-CA 3.48Å; D85-K89 PolarHBondContact O-N 2.74Å; K87-K89 VanDerWaalsContact C-N 3.27Å; K87-K89 PolarHBondContact O-N 3.09Å; K89-P114 HydrophobicContact CB-CG 3.67Å; K89-P114 HydrophobicContact CD-CG 3.95Å; K89-P114 HydrophobicContact CG-CG 4.48Å; K89-P114 WeakPolarHBondContact O-CD 3.3Å
90T96.6Very high93.2Very high25 Ų2548 Ų4815%0.15325%0.247CC..EExtended strand (participates in β ladder)trans-119.2137.8177.264.50000110.1D85 E88 R113D85-T90 WeakPolarHBondContact CB-OG1 3.46Å; D85-T90 PolarHBondContact N-O 2.89Å; D85-T90 PolarHBondContact O-N 2.91Å; E88-T90 VanDerWaalsContact C-N 3.3Å; E88-T90 HydrophobicContact CB-CG2 4Å; E88-T90 WeakPolarHBondContact O-CG2 3.27Å; E88-T90 PolarHBondContact O-N 2.81Å; T90-R113 HydrophobicContact CG2-CG 4.12Å
91F97.3Very high92.4Very high0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-127.7114.1171.9171-131.1000109W14 T18 A21 M22 V83 V84 L93 Y112W14-F91 HydrophobicContact CZ2-CB 4.02Å; T18-F91 HydrophobicContact CG2-CB 4.21Å; T18-F91 HydrophobicContact CG2-CD1 4.24Å; T18-F91 HydrophobicContact CG2-CG 4.11Å; A21-F91 HydrophobicContact CB-CD1 4.31Å; A21-F91 HydrophobicContact CB-CE1 3.56Å; A21-F91 HydrophobicContact CB-CZ 4.41Å; M22-F91 HydrophobicContact CE-CD2 4.2Å; M22-F91 HydrophobicContact CE-CE2 3.34Å; M22-F91 HydrophobicContact CE-CZ 3.63Å; V83-F91 WeakPolarHBondContact O-CA 3.4Å; V83-F91 WeakPolarHBondContact O-CD2 3.45Å; V84-F91 HydrophobicContact CB-CD2 4.35Å; V84-F91 HydrophobicContact CG2-CD2 3.4Å; V84-F91 VanDerWaalsContact CG2-CD2 3.4Å; V84-F91 HydrophobicContact CG2-CE2 3.78Å; V84-F91 HydrophobicContact CG2-CG 4.24Å; F91-L93 HydrophobicContact CE1-CD1 4.39Å; F91-L93 HydrophobicContact CZ-CB 4.33Å; F91-L93 HydrophobicContact CZ-CD1 3.83Å; F91-Y112 HydrophobicContact CB-CD2 4.45Å; F91-Y112 AromaticContact CD1-CD2 3.33Å; F91-Y112 HydrophobicContact CD1-CD2 3.33Å; F91-Y112 AromaticContact CD1-CE2 3.8Å; F91-Y112 HydrophobicContact CD1-CE2 3.8Å; F91-Y112 AromaticContact CD1-CG 3.96Å; F91-Y112 HydrophobicContact CD1-CG 3.96Å; F91-Y112 AromaticContact CE1-CD2 3.85Å; F91-Y112 HydrophobicContact CE1-CD2 3.85Å; F91-Y112 AromaticContact CE1-CE2 3.81Å; F91-Y112 HydrophobicContact CE1-CE2 3.81Å; F91-Y112 HydrophobicContact CG-CD2 4.15Å; F91-Y112 PolarHBondContact N-O 2.79Å; F91-Y112 PolarHBondContact O-N 2.67Å
92E96.9Very high91.2Very high53 Ų5353.3 Ų53.325%0.24828%0.28CS..EExtended strand (participates in β ladder)trans-110.8138.3-179.9-63.9-168.4178.700110S82 V83 L110 T111 R113S82-E92 CarbonylContact C-O 3.23Å; S82-E92 WeakPolarHBondContact CA-O 3.31Å; V83-E92 PolarHBondContact N-O 2.85Å; V83-E92 PolarHBondContact O-N 2.83Å; E92-L110 WeakPolarHBondContact CA-O 3.38Å; E92-T111 HydrophobicContact CG-CG2 4.19Å; E92-R113 IonicContact OE1-NH2 3.86Å
93L95.6Very high90.2Very high12 Ų1254.6 Ų54.66%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-137.5127.2-179-172.9150.9000108.9E80 F91 S95 K109 L110E80-L93 VanDerWaalsContact CD-CD1 3.45Å; E80-L93 HydrophobicContact CG-CD1 4.12Å; E80-L93 HydrophobicContact CG-CD2 3.66Å; E80-L93 HydrophobicContact CG-CG 3.68Å; E80-L93 WeakPolarHBondContact OE2-CD1 3.46Å; F91-L93 HydrophobicContact CE1-CD1 4.39Å; F91-L93 HydrophobicContact CZ-CB 4.33Å; F91-L93 HydrophobicContact CZ-CD1 3.83Å; L93-S95 WeakPolarHBondContact CD2-OG 3.24Å; L93-K109 CarbonylContact O-C 3.54Å; L93-K109 WeakPolarHBondContact O-CA 3.45Å; L93-L110 HydrophobicContact CB-CB 4.38Å; L93-L110 HydrophobicContact CD2-CD1 3.98Å; L93-L110 PolarHBondContact N-O 2.91Å; L93-L110 PolarHBondContact O-N 2.83Å
94Q95.4Very high89.2Confident93 Ų9354 Ų5444%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-121.3123.8178.9-66.3178.11300108.3E80 H81 E108 K109E80-Q94 CarbonylContact C-O 3.55Å; E80-Q94 VanDerWaalsContact CA-O 3.31Å; E80-Q94 WeakPolarHBondContact CA-O 3.43Å; H81-Q94 PolarHBondContact N-O 2.89Å; H81-Q94 PolarHBondContact O-N 3.36Å; Q94-E108 CarbonylContact C-O 3.59Å; Q94-E108 VanDerWaalsContact CA-O 3.31Å; Q94-E108 WeakPolarHBondContact CA-O 3.16Å; Q94-K109 HydrophobicContact CG-CG 4.2Å
95S93.4Very high88.7Confident16 Ų1654.3 Ų54.311%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-120.3129.7179.9-63.60000110.3Q79 E80 L93 D107 E108Q79-S95 WeakPolarHBondContact O-CA 3.43Å; E80-S95 WeakPolarHBondContact CG-OG 3.18Å; L93-S95 WeakPolarHBondContact CD2-OG 3.24Å; S95-D107 WeakPolarHBondContact O-CA 3.32Å; S95-E108 PolarHBondContact N-O 2.85Å; S95-E108 PolarHBondContact O-N 3.09Å
96T91.8Very high88.2Confident54 Ų5454.4 Ų54.433%0.33129%0.287SS..EExtended strand (participates in β ladder)trans-130.9135.1175.2-57.60000109.4Q79 V106 D107Q79-T96 PolarHBondContact N-O 2.9Å; Q79-T96 PolarHBondContact O-N 3.35Å; T96-V106 WeakPolarHBondContact CA-O 3.27Å; T96-D107 WeakPolarHBondContact CB-OD1 3.44Å; T96-D107 WeakPolarHBondContact CG2-OD1 3.49Å; T96-D107 PolarHBondContact OG1-OD1 3.48Å
97N89.1Confident88Confident23 Ų2353.6 Ų53.612%0.12328%0.279CS..EExtended strand (participates in β ladder)trans-70.1134.1173.367.1-65.9000110.8S99 T101 V104 S105 V106N97-S99 PolarHBondContact ND2-O 3.02Å; N97-T101 WeakPolarHBondContact O-CG2 3.47Å; N97-V104 PolarHBondContact ND2-O 3.19Å; N97-S105 WeakPolarHBondContact OD1-CA 3.36Å; N97-V106 PolarHBondContact N-O 2.96Å; N97-V106 PolarHBondContact OD1-N 3.42Å; N97-V106 PolarHBondContact OD1-O 2.62Å
98I87.9Confident87.9Confident79 Ų7948.6 Ų48.641%0.40526%0.258SS..  trans-90.3-41.5173-58.9162.6000109.7L54 Y77 Q79 T101L54-I98 HydrophobicContact CD1-CD1 3.7Å; Y77-I98 PolarHBondContact O-N 3.43Å; Q79-I98 HydrophobicContact CB-CD1 3.66Å; Q79-I98 HydrophobicContact CB-CG1 3.83Å; I98-T101 WeakPolarHBondContact O-CG2 3.36Å; I98-T101 PolarHBondContact O-OG1 3.24Å
99S81.5Confident88Confident28 Ų2845.3 Ų45.320%0.19624%0.241CC..THydrogen-bonded Turntrans-75.6145.9178.4-59.60000111.5Y77 N97 T101Y77-S99 WeakPolarHBondContact CD2-OG 3.39Å; Y77-S99 PolarHBondContact N-OG 3.2Å; Y77-S99 PolarHBondContact O-N 3.39Å; N97-S99 PolarHBondContact ND2-O 3.02Å; S99-T101 PolarHBondContact O-N 3.33Å
100C74.1Confident88Confident34 Ų3441.8 Ų41.823%0.2323%0.226CC..THydrogen-bonded Turntrans61.918.4174.3-49.30000115.5I71 N102 I103 V104I71-C100 WeakPolarHBondContact CD1-SG 3.36Å; C100-N102 WeakPolarHBondContact CA-OD1 3.12Å; C100-N102 PolarHBondContact O-N 3.17Å; C100-N102 VanDerWaalsContact O-N 3.16Å; C100-I103 PolarHBondContact O-N 3Å; C100-V104 CarbonylContact C-O 3.52Å; C100-V104 PolarHBondContact O-N 3.49Å; C100-V104 VanDerWaalsContact O-O 3.08Å
101T78.1Confident88Confident62 Ų6241.4 Ų41.438%0.3822%0.224SC..THydrogen-bonded Turntrans-60-22.7177.646.60000114N97 I98 S99 I103 V104N97-T101 WeakPolarHBondContact O-CG2 3.47Å; I98-T101 WeakPolarHBondContact O-CG2 3.36Å; I98-T101 PolarHBondContact O-OG1 3.24Å; S99-T101 PolarHBondContact O-N 3.33Å; T101-I103 PolarHBondContact O-N 3.42Å; T101-V104 WeakPolarHBondContact CA-O 3.31Å
102N73.6Confident88Confident120 Ų12041.7 Ų41.764%0.64223%0.225SC*.THydrogen-bonded Turntrans-67-20.8172.162-46.7000113.1C100C100-N102 WeakPolarHBondContact CA-OD1 3.12Å; C100-N102 PolarHBondContact O-N 3.17Å; C100-N102 VanDerWaalsContact O-N 3.16Å
103I75Confident88Confident26 Ų2645.3 Ų45.313%0.13324%0.237CC..THydrogen-bonded Turntrans-114.9-47-177-58.1167.2000110.6I69 C100 T101 V132 K133 I135I69-I103 HydrophobicContact CB-CD1 4.36Å; I69-I103 HydrophobicContact CG1-CG2 4.48Å; I69-I103 HydrophobicContact CG2-CB 4.27Å; I69-I103 HydrophobicContact CG2-CD1 3.38Å; I69-I103 HydrophobicContact CG2-CG1 4.39Å; I69-I103 HydrophobicContact CG2-CG2 4.01Å; I69-I103 VanDerWaalsContact O-CD1 3.3Å; I69-I103 WeakPolarHBondContact O-CD1 3.42Å; C100-I103 PolarHBondContact O-N 3Å; T101-I103 PolarHBondContact O-N 3.42Å; I103-V132 WeakPolarHBondContact O-CA 3.34Å; I103-K133 PolarHBondContact O-N 3.33Å; I103-I135 HydrophobicContact CG2-CD1 3.45Å; I103-I135 VanDerWaalsContact CG2-CD1 3.45Å; I103-I135 HydrophobicContact CG2-CG1 4.4Å
104V77.6Confident88Confident12 Ų1246.6 Ų46.67%0.07325%0.245CC..EExtended strand (participates in β ladder)trans-136.7130.2178.6-173.20000110.6N97 C100 T101 V106 S131 V132 M145N97-V104 PolarHBondContact ND2-O 3.19Å; C100-V104 CarbonylContact C-O 3.52Å; C100-V104 PolarHBondContact O-N 3.49Å; C100-V104 VanDerWaalsContact O-O 3.08Å; T101-V104 WeakPolarHBondContact CA-O 3.31Å; V104-V106 HydrophobicContact CG1-CG2 3.84Å; V104-S131 CarbonylContact C-O 3.58Å; V104-S131 WeakPolarHBondContact CA-O 3.39Å; V104-V132 HydrophobicContact CG1-CG2 4.41Å; V104-V132 HydrophobicContact CG2-CG2 4.24Å; V104-M145 HydrophobicContact CB-SD 4.07Å; V104-M145 HydrophobicContact CG1-CE 3.72Å; V104-M145 HydrophobicContact CG1-SD 3.28Å; V104-M145 WeakPolarHBondContact CG1-SD 3.5Å; V104-M145 HydrophobicContact CG2-SD 3.76Å
105S85.1Confident88Confident21 Ų2144 Ų4415%0.14723%0.233CC..EExtended strand (participates in β ladder)trans-107.5129.7162.7-157.80000109.5N97 D107 S131N97-S105 WeakPolarHBondContact OD1-CA 3.36Å; S105-D107 PolarHBondContact OG-OD2 3.18Å; S105-S131 PolarHBondContact N-O 3.41Å; S105-S131 PolarHBondContact O-N 2.89Å
106V86.3Confident87.9Confident26 Ų2648.1 Ų48.116%0.15826%0.26CS..EExtended strand (participates in β ladder)trans-124.4117172.3-177.10000106.9T96 N97 V104 L129 M145 I149T96-V106 WeakPolarHBondContact CA-O 3.27Å; N97-V106 PolarHBondContact N-O 2.96Å; N97-V106 PolarHBondContact OD1-N 3.42Å; N97-V106 PolarHBondContact OD1-O 2.62Å; V104-V106 HydrophobicContact CG1-CG2 3.84Å; V106-L129 WeakPolarHBondContact CA-O 3.19Å; V106-M145 HydrophobicContact CG2-CE 3.83Å; V106-I149 HydrophobicContact CG1-CD1 3.88Å
107D90.9Very high88Confident59 Ų5952.8 Ų52.832%0.31628%0.277SS..EExtended strand (participates in β ladder)trans-115.1110.3175.9-64.2-78.2000107.8S95 T96 S105 A128 L129S95-D107 WeakPolarHBondContact O-CA 3.32Å; T96-D107 WeakPolarHBondContact CB-OD1 3.44Å; T96-D107 WeakPolarHBondContact CG2-OD1 3.49Å; T96-D107 PolarHBondContact OG1-OD1 3.48Å; S105-D107 PolarHBondContact OG-OD2 3.18Å; D107-A128 CarbonylContact O-C 3.59Å; D107-A128 WeakPolarHBondContact O-CA 3.46Å; D107-L129 HydrophobicContact CB-CB 4.3Å; D107-L129 PolarHBondContact N-O 2.91Å; D107-L129 PolarHBondContact O-N 2.8Å
108E92.4Very high88.2Confident53 Ų5354 Ų5425%0.24828%0.284CS..EExtended strand (participates in β ladder)trans-108.7131.4-179.9-160.5-172.8175.200109.9Q94 S95 L110 Q126 E127 A128Q94-E108 CarbonylContact C-O 3.59Å; Q94-E108 VanDerWaalsContact CA-O 3.31Å; Q94-E108 WeakPolarHBondContact CA-O 3.16Å; S95-E108 PolarHBondContact N-O 2.85Å; S95-E108 PolarHBondContact O-N 3.09Å; E108-L110 HydrophobicContact CB-CD1 4.38Å; E108-L110 HydrophobicContact CG-CD1 3.64Å; E108-L110 WeakPolarHBondContact OE1-CD1 3.35Å; E108-Q126 PolarHBondContact OE1-NE2 2.9Å; E108-E127 CarbonylContact C-O 3.56Å; E108-E127 WeakPolarHBondContact CA-O 3.13Å; E108-A128 HydrophobicContact CG-CB 4.22Å
109K94.8Very high88.3Confident72 Ų7254.4 Ų54.431%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-119.5126.8173.4-176.3-179.9178-174.80109.4L93 Q94 Q126 E127L93-K109 CarbonylContact O-C 3.54Å; L93-K109 WeakPolarHBondContact O-CA 3.45Å; Q94-K109 HydrophobicContact CG-CG 4.2Å; K109-Q126 CarbonylContact O-C 3.48Å; K109-Q126 WeakPolarHBondContact O-CA 3.48Å; K109-E127 PolarHBondContact N-O 3.32Å; K109-E127 PolarHBondContact O-N 2.93Å
110L95.4Very high88.9Confident10 Ų1059 Ų595%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-118.8137.8174.2-64.778.7000108.7E92 L93 E108 Y112 L124 T125 Q126E92-L110 WeakPolarHBondContact CA-O 3.38Å; L93-L110 HydrophobicContact CB-CB 4.38Å; L93-L110 HydrophobicContact CD2-CD1 3.98Å; L93-L110 PolarHBondContact N-O 2.91Å; L93-L110 PolarHBondContact O-N 2.83Å; E108-L110 HydrophobicContact CB-CD1 4.38Å; E108-L110 HydrophobicContact CG-CD1 3.64Å; E108-L110 WeakPolarHBondContact OE1-CD1 3.35Å; L110-Y112 HydrophobicContact CB-CE2 4.04Å; L110-Y112 HydrophobicContact CD2-CE2 4.42Å; L110-L124 HydrophobicContact CB-CD1 3.99Å; L110-L124 HydrophobicContact CD2-CD1 4.14Å; L110-L124 HydrophobicContact CG-CD1 4.33Å; L110-T125 CarbonylContact C-O 3.59Å; L110-T125 WeakPolarHBondContact CA-O 3.15Å; L110-Q126 HydrophobicContact CD2-CG 4.23Å; L110-Q126 HydrophobicContact CG-CG 4.07Å
111T96.7Very high89.9Confident16 Ų1660.4 Ų60.410%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-131.2123.4176.8-570000109.1E92 R113 L124 T125E92-T111 HydrophobicContact CG-CG2 4.19Å; T111-R113 HydrophobicContact CG2-CG 4.01Å; T111-L124 WeakPolarHBondContact O-CA 3.48Å; T111-T125 PolarHBondContact N-O 2.86Å; T111-T125 PolarHBondContact O-N 3.45Å
112Y96.5Very high90.8Very high7 Ų757.5 Ų57.53%0.02730%0.295CS..EExtended strand (participates in β ladder)trans-109.7126.7176.8-58.9-100.1000109.7F10 W14 V17 F91 L110 T122 I123 L124F10-Y112 HydrophobicContact CE2-CE1 4.04Å; W14-Y112 PolarHBondContact NE1-O 3.5Å; V17-Y112 HydrophobicContact CG1-CD1 3.65Å; V17-Y112 HydrophobicContact CG1-CE1 3.9Å; F91-Y112 HydrophobicContact CB-CD2 4.45Å; F91-Y112 AromaticContact CD1-CD2 3.33Å; F91-Y112 HydrophobicContact CD1-CD2 3.33Å; F91-Y112 AromaticContact CD1-CE2 3.8Å; F91-Y112 HydrophobicContact CD1-CE2 3.8Å; F91-Y112 AromaticContact CD1-CG 3.96Å; F91-Y112 HydrophobicContact CD1-CG 3.96Å; F91-Y112 AromaticContact CE1-CD2 3.85Å; F91-Y112 HydrophobicContact CE1-CD2 3.85Å; F91-Y112 AromaticContact CE1-CE2 3.81Å; F91-Y112 HydrophobicContact CE1-CE2 3.81Å; F91-Y112 HydrophobicContact CG-CD2 4.15Å; F91-Y112 PolarHBondContact N-O 2.79Å; F91-Y112 PolarHBondContact O-N 2.67Å; L110-Y112 HydrophobicContact CB-CE2 4.04Å; L110-Y112 HydrophobicContact CD2-CE2 4.42Å; Y112-T122 HydrophobicContact CD1-CG2 4.42Å; Y112-I123 VanDerWaalsContact CA-O 3.31Å; Y112-I123 WeakPolarHBondContact CA-O 3.46Å; Y112-L124 HydrophobicContact CD1-CB 4.04Å; Y112-L124 HydrophobicContact CD1-CD1 3.95Å; Y112-L124 HydrophobicContact CD1-CG 4.44Å; Y112-L124 HydrophobicContact CD2-CD1 4.22Å; Y112-L124 HydrophobicContact CE1-CB 4.05Å; Y112-L124 HydrophobicContact CE1-CD1 3.62Å; Y112-L124 HydrophobicContact CE1-CD2 3.96Å; Y112-L124 HydrophobicContact CE1-CG 4.07Å; Y112-L124 HydrophobicContact CE2-CD1 3.9Å; Y112-L124 HydrophobicContact CG-CD1 4.24Å
113R96.6Very high91.9Very high129 Ų12953.1 Ų53.149%0.48727%0.271SS..EExtended strand (participates in β ladder)trans-141.6148.9178.8-60.5-172.3177.1-165.9-3.7110.8T90 E92 T111 T122 I123T90-R113 HydrophobicContact CG2-CG 4.12Å; E92-R113 IonicContact OE1-NH2 3.86Å; T111-R113 HydrophobicContact CG2-CG 4.01Å; R113-T122 CarbonylContact O-C 2.94Å; R113-T122 WeakPolarHBondContact O-CA 3.43Å; R113-T122 WeakPolarHBondContact O-CG2 3.31Å; R113-I123 PolarHBondContact N-O 3.02Å; R113-I123 PolarHBondContact O-N 3.01Å
114P96.6Very high92.9Very high38 Ų3852 Ų5225%0.24727%0.265CS..EExtended strand (participates in β ladder)trans-55.2145.5168.7-22.229.6000111.2W14 K89W14-P114 HydrophobicContact CB-CG 3.9Å; W14-P114 HydrophobicContact CG-CG 4.15Å; K89-P114 HydrophobicContact CB-CG 3.67Å; K89-P114 HydrophobicContact CD-CG 3.95Å; K89-P114 HydrophobicContact CG-CG 4.48Å; K89-P114 WeakPolarHBondContact O-CD 3.3Å
115H94.6Very high93.7Very high40 Ų4053.9 Ų53.919%0.18528%0.277CS..EExtended strand (participates in β ladder)trans-70.3130.8175.2-175.2-80.2000109.7Q117 D118 K121 I123H115-Q117 PolarHBondContact CE1-OE1 2.77Å; H115-Q117 PolarHBondContact ND1-N 3.28Å; H115-Q117 PolarHBondContact ND1-OE1 3.2Å; H115-Q117 PolarHBondContact O-N 3.39Å; H115-Q117 VanDerWaalsContact O-N 3.16Å; H115-D118 WeakPolarHBondContact CB-O 3.47Å; H115-D118 PolarHBondContact ND1-N 3.48Å; H115-D118 CarbonylContact O-C 3.55Å; H115-D118 PolarHBondContact O-N 3.09Å; H115-D118 VanDerWaalsContact O-N 3.09Å; H115-K121 HydrophobicContact CB-CB 3.8Å; H115-K121 PolarHBondContact N-O 3.13Å; H115-I123 HydrophobicContact CB-CD1 4.24Å; H115-I123 HydrophobicContact CB-CG1 4.04Å
116P92.4Very high94.1Very high102 Ų10253.4 Ų53.466%0.66227%0.272SS*.THydrogen-bonded Turntrans-65.4-26.1-168.517.7-24.6000113.8
117Q93.3Very high94.4Very high151 Ų15156.1 Ų56.171%0.70628%0.283SS*.THydrogen-bonded Turntrans-98-13.9175.6-59.280.414.600114.1H115H115-Q117 PolarHBondContact CE1-OE1 2.77Å; H115-Q117 PolarHBondContact ND1-N 3.28Å; H115-Q117 PolarHBondContact ND1-OE1 3.2Å; H115-Q117 PolarHBondContact O-N 3.39Å; H115-Q117 VanDerWaalsContact O-N 3.16Å
118D93.1Very high94.3Very high48 Ų4853.3 Ų53.326%0.25727%0.268SS..EExtended strand (participates in β ladder)trans-145.692.6-171.6-170.9-7.5000110.7H115 E120 K121H115-D118 WeakPolarHBondContact CB-O 3.47Å; H115-D118 PolarHBondContact ND1-N 3.48Å; H115-D118 CarbonylContact O-C 3.55Å; H115-D118 PolarHBondContact O-N 3.09Å; H115-D118 VanDerWaalsContact O-N 3.09Å; D118-E120 PolarHBondContact O-N 3.26Å; D118-E120 PolarHBondContact OD1-N 3.39Å; D118-K121 HydrophobicContact CB-CB 4.5Å; D118-K121 HydrophobicContact CB-CD 4.39Å; D118-K121 HydrophobicContact CB-CG 4.35Å; D118-K121 PolarHBondContact O-N 2.96Å; D118-K121 WeakPolarHBondContact OD2-CD 3.42Å; D118-K121 WeakPolarHBondContact OD2-CE 3.46Å; D118-K121 IonicContact OD2-NZ 2.7Å; D118-K121 PolarHBondContact OD2-NZ 2.84Å
119P90.1Very high94.1Very high89 Ų8954.5 Ų54.558%0.57828%0.276SS*.EExtended strand (participates in β ladder)trans-59.4-18.4-177.2-25.835.7000114.9K121P119-K121 PolarHBondContact O-N 3.04Å
120E94Very high93.6Very high123 Ų12351.1 Ų51.158%0.57526%0.261SS*.EExtended strand (participates in β ladder)trans-79.8-1.9177.1-62.1-59.3122.600112.8H12 D118H12-E120 CarbonylContact C-O 3.45Å; H12-E120 WeakPolarHBondContact CA-O 3.37Å; H12-E120 PolarHBondContact N-O 2.97Å; D118-E120 PolarHBondContact O-N 3.26Å; D118-E120 PolarHBondContact OD1-N 3.39Å
121K95.3Very high93Very high65 Ų6552.5 Ų52.528%0.28327%0.272SS..EExtended strand (participates in β ladder)trans-117151.4176.3-62.2-172.2177.2115.60111.3I9 F10 N11 H12 H115 D118 P119I9-K121 HydrophobicContact CG2-CB 4.05Å; I9-K121 HydrophobicContact CG2-CD 4.02Å; F10-K121 WeakPolarHBondContact O-CA 3.43Å; N11-K121 WeakPolarHBondContact OD1-CE 3.29Å; H12-K121 CarbonylContact O-C 3.51Å; H115-K121 HydrophobicContact CB-CB 3.8Å; H115-K121 PolarHBondContact N-O 3.13Å; D118-K121 HydrophobicContact CB-CB 4.5Å; D118-K121 HydrophobicContact CB-CD 4.39Å; D118-K121 HydrophobicContact CB-CG 4.35Å; D118-K121 PolarHBondContact O-N 2.96Å; D118-K121 WeakPolarHBondContact OD2-CD 3.42Å; D118-K121 WeakPolarHBondContact OD2-CE 3.46Å; D118-K121 IonicContact OD2-NZ 2.7Å; D118-K121 PolarHBondContact OD2-NZ 2.84Å; P119-K121 PolarHBondContact O-N 3.04Å
122T96.5Very high92.1Very high0 Ų052.5 Ų52.50%027%0.271CS..EExtended strand (participates in β ladder)trans-122.1126.8177.9-54.60000110.2I9 F10 H12 W14 V17 Y112 R113I9-T122 WeakPolarHBondContact CA-O 3.43Å; F10-T122 PolarHBondContact N-O 2.7Å; F10-T122 PolarHBondContact O-N 3.32Å; H12-T122 PolarHBondContact O-N 2.99Å; H12-T122 PolarHBondContact O-OG1 3.02Å; W14-T122 WeakPolarHBondContact CA-OG1 2.92Å; W14-T122 PolarHBondContact N-OG1 3.48Å; W14-T122 VanDerWaalsContact N-OG1 3.13Å; V17-T122 HydrophobicContact CB-CG2 4.21Å; V17-T122 HydrophobicContact CG1-CG2 4.09Å; V17-T122 HydrophobicContact CG2-CG2 4.35Å; Y112-T122 HydrophobicContact CD1-CG2 4.42Å; R113-T122 CarbonylContact O-C 2.94Å; R113-T122 WeakPolarHBondContact O-CA 3.43Å; R113-T122 WeakPolarHBondContact O-CG2 3.31Å
123I96.6Very high91.1Very high28 Ų2857.7 Ų57.714%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-86.1127.8171.3-57.6175000108.4E7 I9 Y112 R113 H115E7-I123 HydrophobicContact CG-CG2 3.88Å; I9-I123 HydrophobicContact CG1-CG1 4.45Å; Y112-I123 VanDerWaalsContact CA-O 3.31Å; Y112-I123 WeakPolarHBondContact CA-O 3.46Å; R113-I123 PolarHBondContact N-O 3.02Å; R113-I123 PolarHBondContact O-N 3.01Å; H115-I123 HydrophobicContact CB-CD1 4.24Å; H115-I123 HydrophobicContact CB-CG1 4.04Å
124L95.7Very high89.6Confident4 Ų455.9 Ų55.92%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-107.3117.9167.3165.559.4000108.8E7 H8 F10 L110 T111 Y112 Q126E7-L124 CarbonylContact C-O 3.52Å; E7-L124 WeakPolarHBondContact CA-O 3.45Å; H8-L124 PolarHBondContact N-O 3.45Å; H8-L124 PolarHBondContact O-N 3.46Å; F10-L124 HydrophobicContact CD2-CB 4.16Å; F10-L124 HydrophobicContact CE2-CB 3.72Å; F10-L124 HydrophobicContact CE2-CD2 3.63Å; F10-L124 HydrophobicContact CE2-CG 4.3Å; F10-L124 HydrophobicContact CZ-CD2 4.06Å; L110-L124 HydrophobicContact CB-CD1 3.99Å; L110-L124 HydrophobicContact CD2-CD1 4.14Å; L110-L124 HydrophobicContact CG-CD1 4.33Å; T111-L124 WeakPolarHBondContact O-CA 3.48Å; Y112-L124 HydrophobicContact CD1-CB 4.04Å; Y112-L124 HydrophobicContact CD1-CD1 3.95Å; Y112-L124 HydrophobicContact CD1-CG 4.44Å; Y112-L124 HydrophobicContact CD2-CD1 4.22Å; Y112-L124 HydrophobicContact CE1-CB 4.05Å; Y112-L124 HydrophobicContact CE1-CD1 3.62Å; Y112-L124 HydrophobicContact CE1-CD2 3.96Å; Y112-L124 HydrophobicContact CE1-CG 4.07Å; Y112-L124 HydrophobicContact CE2-CD1 3.9Å; Y112-L124 HydrophobicContact CG-CD1 4.24Å; L124-Q126 HydrophobicContact CD1-CG 3.76Å; L124-Q126 HydrophobicContact CD2-CG 3.92Å; L124-Q126 HydrophobicContact CG-CG 3.72Å
125T94.9Very high88.2Confident51 Ų5156 Ų5631%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-103126.4167.6-470000109L110 T111L110-T125 CarbonylContact C-O 3.59Å; L110-T125 WeakPolarHBondContact CA-O 3.15Å; T111-T125 PolarHBondContact N-O 2.86Å; T111-T125 PolarHBondContact O-N 3.45Å
126Q92.9Very high86.6Confident10 Ų1060 Ų605%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-117.8134.1178.5-54.7-174.2-99.100109.8W4 T5 S6 E108 K109 L110 L124W4-Q126 HydrophobicContact CZ3-CB 3.94Å; T5-Q126 CarbonylContact C-O 3.53Å; T5-Q126 VanDerWaalsContact CA-O 3.26Å; T5-Q126 WeakPolarHBondContact CA-O 3.44Å; S6-Q126 PolarHBondContact N-O 2.86Å; S6-Q126 PolarHBondContact O-N 2.78Å; E108-Q126 PolarHBondContact OE1-NE2 2.9Å; K109-Q126 CarbonylContact O-C 3.48Å; K109-Q126 WeakPolarHBondContact O-CA 3.48Å; L110-Q126 HydrophobicContact CD2-CG 4.23Å; L110-Q126 HydrophobicContact CG-CG 4.07Å; L124-Q126 HydrophobicContact CD1-CG 3.76Å; L124-Q126 HydrophobicContact CD2-CG 3.92Å; L124-Q126 HydrophobicContact CG-CG 3.72Å
127E92.4Very high85.4Confident84 Ų8459.4 Ų59.439%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-132.9132.9176.6-54.8-177.9110.200108.2W4 T5 E108 K109W4-E127 CarbonylContact O-C 3.52Å; W4-E127 WeakPolarHBondContact O-CA 3.5Å; T5-E127 HydrophobicContact CG2-CB 4.4Å; T5-E127 HydrophobicContact CG2-CG 4.07Å; E108-E127 CarbonylContact C-O 3.56Å; E108-E127 WeakPolarHBondContact CA-O 3.13Å; K109-E127 PolarHBondContact N-O 3.32Å; K109-E127 PolarHBondContact O-N 2.93Å
128A88.8Confident84.2Confident0 Ų054.4 Ų54.40%032%0.319CS..EExtended strand (participates in β ladder)trans-132.2127.1178.100000110.4I3 W4 D107 E108 I149I3-A128 WeakPolarHBondContact CA-O 3.37Å; W4-A128 HydrophobicContact CB-CB 4.43Å; W4-A128 HydrophobicContact CE3-CB 4.16Å; W4-A128 PolarHBondContact N-O 2.86Å; W4-A128 PolarHBondContact O-N 2.86Å; D107-A128 CarbonylContact O-C 3.59Å; D107-A128 WeakPolarHBondContact O-CA 3.46Å; E108-A128 HydrophobicContact CG-CB 4.22Å; A128-I149 HydrophobicContact CB-CG2 4.13Å
129L88.1Confident83.2Confident78 Ų7856.1 Ų56.141%0.40833%0.334SS..EExtended strand (participates in β ladder)trans-105.5118.3174.6-66.2172.1000108.7I3 V106 D107I3-L129 HydrophobicContact CB-CD2 4.21Å; I3-L129 HydrophobicContact CD1-CD2 4Å; I3-L129 HydrophobicContact CG1-CD2 3.64Å; I3-L129 HydrophobicContact CG2-CD2 4Å; V106-L129 WeakPolarHBondContact CA-O 3.19Å; D107-L129 HydrophobicContact CB-CB 4.3Å; D107-L129 PolarHBondContact N-O 2.91Å; D107-L129 PolarHBondContact O-N 2.8Å
130I84.5Confident82.4Confident0 Ų058.4 Ų58.40%033%0.333CS..EExtended strand (participates in β ladder)trans-113.2123.7-179.1-51.6161.5000108.6M1 K2 M145 A146 I149M1-I130 VanDerWaalsContact CA-O 3.28Å; M1-I130 WeakPolarHBondContact CA-O 3.31Å; K2-I130 PolarHBondContact N-O 2.83Å; K2-I130 PolarHBondContact O-N 2.8Å; I130-M145 HydrophobicContact CG2-CB 4.16Å; I130-M145 HydrophobicContact CG2-SD 4.49Å; I130-A146 HydrophobicContact CD1-CB 4.03Å; I130-I149 HydrophobicContact CD1-CD1 3.37Å; I130-I149 HydrophobicContact CG1-CD1 3.56Å
131S82.6Confident81.2Confident39 Ų3953.1 Ų53.127%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-128.4118178.9-169.90000110.5V104 S105V104-S131 CarbonylContact C-O 3.58Å; V104-S131 WeakPolarHBondContact CA-O 3.39Å; S105-S131 PolarHBondContact N-O 3.41Å; S105-S131 PolarHBondContact O-N 2.89Å
132V77.8Confident80.2Confident16 Ų1651.1 Ų51.110%0.09730%0.3CS..EExtended strand (participates in β ladder)trans-105.3129.5175.3-179.80000108.9I103 V104 L141 E142I103-V132 WeakPolarHBondContact O-CA 3.34Å; V104-V132 HydrophobicContact CG1-CG2 4.41Å; V104-V132 HydrophobicContact CG2-CG2 4.24Å; V132-L141 HydrophobicContact CG1-CB 4.45Å; V132-L141 HydrophobicContact CG1-CD1 4.27Å; V132-L141 HydrophobicContact CG2-CB 4.4Å; V132-E142 HydrophobicContact CB-CG 4.05Å; V132-E142 HydrophobicContact CG2-CG 3.55Å
133K77.2Confident79.1Confident117 Ų11752 Ų5251%0.50931%0.31SS..  trans-118142.9-176.2-63.6177.5-175.8170.80110.7I103 I135I103-K133 PolarHBondContact O-N 3.33Å; K133-I135 PolarHBondContact O-N 3.41Å
134G65.2Low78.1Confident91 Ų9153.7 Ų53.794%0.93832%0.318SS*.SBendtrans75.111.5164.300000117.4
135I66.6Low77Confident40 Ų4054.7 Ų54.721%0.20532%0.323CS..  trans-124.4132.5179.2-54179.1000110.3L68 I103 K133 L137 S138 L141L68-I135 HydrophobicContact CD2-CG2 4.11Å; I103-I135 HydrophobicContact CG2-CD1 3.45Å; I103-I135 VanDerWaalsContact CG2-CD1 3.45Å; I103-I135 HydrophobicContact CG2-CG1 4.4Å; K133-I135 PolarHBondContact O-N 3.41Å; I135-L137 HydrophobicContact CG2-CB 4.28Å; I135-L137 PolarHBondContact O-N 2.8Å; I135-S138 WeakPolarHBondContact O-CB 3.39Å; I135-S138 PolarHBondContact O-N 3.33Å; I135-L141 HydrophobicContact CB-CD1 4.35Å; I135-L141 HydrophobicContact CD1-CD1 3.74Å; I135-L141 HydrophobicContact CG2-CD1 4.05Å
136S60.7Low76Confident124 Ų12453.3 Ų53.387%0.86732%0.317SS*.THydrogen-bonded Turntrans-64.7-14.7179.351.80000114.6
137L66.5Low75.3Confident90 Ų9060.4 Ų60.447%0.47135%0.347SS..THydrogen-bonded Turntrans-104.327.8176.6-70.9164.1000112.7I135 S139 Y140 L141I135-L137 HydrophobicContact CG2-CB 4.28Å; I135-L137 PolarHBondContact O-N 2.8Å; L137-S139 VanDerWaalsContact C-N 3.28Å; L137-S139 PolarHBondContact O-N 2.79Å; L137-Y140 PolarHBondContact O-N 2.87Å; L137-Y140 VanDerWaalsContact O-N 3.17Å; L137-L141 PolarHBondContact O-N 3.35Å
138S68Low74.5Confident46 Ų4658.8 Ų58.832%0.32234%0.343SS..Hα-helixtrans-50.8-43.5-175.956.10000113.2I135 Y140 L141 E142I135-S138 WeakPolarHBondContact O-CB 3.39Å; I135-S138 PolarHBondContact O-N 3.33Å; S138-Y140 PolarHBondContact O-N 2.8Å; S138-L141 PolarHBondContact O-N 2.95Å; S138-E142 VanDerWaalsContact O-CB 3.31Å; S138-E142 WeakPolarHBondContact O-CB 3.33Å; S138-E142 WeakPolarHBondContact O-CG 3.47Å; S138-E142 PolarHBondContact O-N 3.23Å
139S72.5Confident73.9Confident83 Ų8359.5 Ų59.558%0.5835%0.347SS*.Hα-helixtrans-65.6-36.4-178620000114.1L137 G143L137-S139 VanDerWaalsContact C-N 3.28Å; L137-S139 PolarHBondContact O-N 2.79Å; S139-G143 PolarHBondContact O-N 3.48Å; S139-G143 VanDerWaalsContact O-N 3.07Å
140Y72.8Confident73.5Confident138 Ų13858.7 Ų58.754%0.54135%0.348SS..Hα-helixtrans-71.1-46177.3178.7-104.5000111L137 S138 G143 L144L137-Y140 PolarHBondContact O-N 2.87Å; L137-Y140 VanDerWaalsContact O-N 3.17Å; S138-Y140 PolarHBondContact O-N 2.8Å; Y140-G143 PolarHBondContact O-N 3Å; Y140-G143 VanDerWaalsContact O-N 3.15Å; Y140-L144 HydrophobicContact CD1-CD1 3.94Å; Y140-L144 HydrophobicContact CD1-CG 4.48Å; Y140-L144 HydrophobicContact CE1-CD1 3.36Å; Y140-L144 HydrophobicContact CE1-CG 4.09Å; Y140-L144 PolarHBondContact O-N 3.11Å
141L70.1Confident73.2Confident12 Ų1261.3 Ų61.36%0.06337%0.369CS..Hα-helixtrans-62.6-45.4176-71.2174.5000111.5L68 V132 I135 L137 S138 G143 L144 M145L68-L141 HydrophobicContact CD2-CD1 4.06Å; V132-L141 HydrophobicContact CG1-CB 4.45Å; V132-L141 HydrophobicContact CG1-CD1 4.27Å; V132-L141 HydrophobicContact CG2-CB 4.4Å; I135-L141 HydrophobicContact CB-CD1 4.35Å; I135-L141 HydrophobicContact CD1-CD1 3.74Å; I135-L141 HydrophobicContact CG2-CD1 4.05Å; L137-L141 PolarHBondContact O-N 3.35Å; S138-L141 PolarHBondContact O-N 2.95Å; L141-G143 PolarHBondContact O-N 2.76Å; L141-L144 PolarHBondContact O-N 2.9Å; L141-L144 VanDerWaalsContact O-N 3.15Å; L141-M145 VanDerWaalsContact O-CG 3.31Å; L141-M145 WeakPolarHBondContact O-CG 3.49Å; L141-M145 PolarHBondContact O-N 3.4Å
142E72.9Confident73Confident22 Ų2262.6 Ų62.610%0.10337%0.373CS..Hα-helixtrans-56.1-39.6173.3-77.3-179.5168.700111.7M1 K2 V132 S138 A146M1-E142 PolarHBondContact N-OE1 3.25Å; K2-E142 HydrophobicContact CD-CB 4.07Å; K2-E142 HydrophobicContact CG-CB 4.41Å; V132-E142 HydrophobicContact CB-CG 4.05Å; V132-E142 HydrophobicContact CG2-CG 3.55Å; S138-E142 VanDerWaalsContact O-CB 3.31Å; S138-E142 WeakPolarHBondContact O-CB 3.33Å; S138-E142 WeakPolarHBondContact O-CG 3.47Å; S138-E142 PolarHBondContact O-N 3.23Å; E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 2.81Å
143G74.1Confident73.1Confident20 Ų2062.1 Ų62.121%0.20637%0.371CS..Hα-helixtrans-65-44.4174.900000113.7S139 Y140 L141 M145 K147S139-G143 PolarHBondContact O-N 3.48Å; S139-G143 VanDerWaalsContact O-N 3.07Å; Y140-G143 PolarHBondContact O-N 3Å; Y140-G143 VanDerWaalsContact O-N 3.15Å; L141-G143 PolarHBondContact O-N 2.76Å; G143-M145 VanDerWaalsContact C-N 3.35Å; G143-K147 WeakPolarHBondContact O-CG 3.49Å; G143-K147 PolarHBondContact O-N 3.09Å; G143-K147 VanDerWaalsContact O-N 3.1Å
144L75.1Confident73.4Confident62 Ų6258 Ų5833%0.32536%0.361SS..Hα-helixtrans-64-40.6176-73178.3000111.9Y140 L141 K147 T148Y140-L144 HydrophobicContact CD1-CD1 3.94Å; Y140-L144 HydrophobicContact CD1-CG 4.48Å; Y140-L144 HydrophobicContact CE1-CD1 3.36Å; Y140-L144 HydrophobicContact CE1-CG 4.09Å; Y140-L144 PolarHBondContact O-N 3.11Å; L141-L144 PolarHBondContact O-N 2.9Å; L141-L144 VanDerWaalsContact O-N 3.15Å; L144-K147 PolarHBondContact O-N 3.16Å; L144-T148 PolarHBondContact O-N 2.83Å; L144-T148 PolarHBondContact O-OG1 2.99Å
145M73.3Confident74.4Confident25 Ų2558 Ų5812%0.12334%0.336CS..Hα-helixtrans-69.4-41.7178.9-67.8-156.376.100112.3W59 V104 V106 I130 L141 G143 K147 T148 I149W59-M145 HydrophobicContact CH2-CE 3.93Å; W59-M145 HydrophobicContact CZ3-CE 4.44Å; V104-M145 HydrophobicContact CB-SD 4.07Å; V104-M145 HydrophobicContact CG1-CE 3.72Å; V104-M145 HydrophobicContact CG1-SD 3.28Å; V104-M145 WeakPolarHBondContact CG1-SD 3.5Å; V104-M145 HydrophobicContact CG2-SD 3.76Å; V106-M145 HydrophobicContact CG2-CE 3.83Å; I130-M145 HydrophobicContact CG2-CB 4.16Å; I130-M145 HydrophobicContact CG2-SD 4.49Å; L141-M145 VanDerWaalsContact O-CG 3.31Å; L141-M145 WeakPolarHBondContact O-CG 3.49Å; L141-M145 PolarHBondContact O-N 3.4Å; G143-M145 VanDerWaalsContact C-N 3.35Å; M145-K147 VanDerWaalsContact C-N 3.3Å; M145-K147 PolarHBondContact O-N 3.08Å; M145-T148 WeakPolarHBondContact O-CB 3.46Å; M145-T148 PolarHBondContact O-N 2.78Å; M145-T148 VanDerWaalsContact O-N 3.1Å; M145-I149 WeakPolarHBondContact O-CG1 3.1Å; M145-I149 PolarHBondContact O-N 2.83Å
146A74.3Confident75.3Confident22 Ų2256.5 Ų56.518%0.18233%0.33CS..Hα-helixtrans-59.4-41.8173.600000111.9I130 E142 T148 I149 S150I130-A146 HydrophobicContact CD1-CB 4.03Å; E142-A146 WeakPolarHBondContact O-CB 3.33Å; E142-A146 PolarHBondContact O-N 2.81Å; A146-T148 VanDerWaalsContact C-N 3.33Å; A146-T148 PolarHBondContact O-N 3.35Å; A146-I149 PolarHBondContact O-N 3.36Å; A146-S150 WeakPolarHBondContact O-CB 3.39Å; A146-S150 PolarHBondContact O-N 2.85Å
147K78.3Confident76.7Confident159 Ų15953.3 Ų53.369%0.69130%0.299SS*.Hα-helixtrans-61.9-40.9173.6-75.6-177.8178.3-174.30112.2G143 L144 M145 S150 A151G143-K147 WeakPolarHBondContact O-CG 3.49Å; G143-K147 PolarHBondContact O-N 3.09Å; G143-K147 VanDerWaalsContact O-N 3.1Å; L144-K147 PolarHBondContact O-N 3.16Å; M145-K147 VanDerWaalsContact C-N 3.3Å; M145-K147 PolarHBondContact O-N 3.08Å; K147-S150 PolarHBondContact O-N 3.33Å; K147-A151 PolarHBondContact O-N 3.41Å
148T75.7Confident77.8Confident50 Ų5054.3 Ų54.331%0.30730%0.301SS..Hα-helixtrans-66.2-43.3178.8-54.50000111.4W59 L144 M145 A146 A151 N152W59-T148 HydrophobicContact CZ3-CG2 4.05Å; L144-T148 PolarHBondContact O-N 2.83Å; L144-T148 PolarHBondContact O-OG1 2.99Å; M145-T148 WeakPolarHBondContact O-CB 3.46Å; M145-T148 PolarHBondContact O-N 2.78Å; M145-T148 VanDerWaalsContact O-N 3.1Å; A146-T148 VanDerWaalsContact C-N 3.33Å; A146-T148 PolarHBondContact O-N 3.35Å; T148-A151 PolarHBondContact O-N 3.25Å; T148-N152 WeakPolarHBondContact O-CB 3.36Å; T148-N152 PolarHBondContact O-N 2.84Å
149I76.3Confident78.8Confident16 Ų1652.1 Ų52.18%0.08229%0.286CS..Hα-helixtrans-63.6-44.2176.6-74.2161.1000110.8W4 V106 A128 I130 M145 A146 A151 N152 A153W4-I149 HydrophobicContact CD2-CG2 4.37Å; W4-I149 HydrophobicContact CE3-CG2 4.03Å; W4-I149 HydrophobicContact CZ3-CG2 4.34Å; V106-I149 HydrophobicContact CG1-CD1 3.88Å; A128-I149 HydrophobicContact CB-CG2 4.13Å; I130-I149 HydrophobicContact CD1-CD1 3.37Å; I130-I149 HydrophobicContact CG1-CD1 3.56Å; M145-I149 WeakPolarHBondContact O-CG1 3.1Å; M145-I149 PolarHBondContact O-N 2.83Å; A146-I149 PolarHBondContact O-N 3.36Å; I149-A151 VanDerWaalsContact C-N 3.35Å; I149-A151 PolarHBondContact O-N 2.7Å; I149-N152 CarbonylContact O-C 3.59Å; I149-N152 PolarHBondContact O-N 2.8Å; I149-N152 VanDerWaalsContact O-N 3.16Å; I149-A153 PolarHBondContact O-N 2.79Å
150S78.5Confident79.7Confident60 Ų6048.2 Ų48.242%0.4226%0.259SS..Hα-helixtrans-58.8-45175-1770000112.2A146 K147 N152 A153 G154A146-S150 WeakPolarHBondContact O-CB 3.39Å; A146-S150 PolarHBondContact O-N 2.85Å; K147-S150 PolarHBondContact O-N 3.33Å; S150-N152 VanDerWaalsContact C-N 3.35Å; S150-N152 PolarHBondContact O-N 2.99Å; S150-A153 PolarHBondContact O-N 2.81Å; S150-G154 PolarHBondContact O-N 3.39Å
151A79.1Confident80.6Confident55 Ų5543.9 Ų43.946%0.45524%0.244SC..Hα-helixtrans-63.9-39175.400000112.5K147 T148 I149 G154 K155K147-A151 PolarHBondContact O-N 3.41Å; T148-A151 PolarHBondContact O-N 3.25Å; I149-A151 VanDerWaalsContact C-N 3.35Å; I149-A151 PolarHBondContact O-N 2.7Å; A151-G154 PolarHBondContact O-N 2.78Å; A151-K155 PolarHBondContact O-N 2.89Å
152N78.7Confident81.7Confident66 Ų6648 Ų4835%0.35326%0.259SS..Hα-helixtrans-69.4-32.1177.1-72.6-12.2000112.5T148 I149 S150 G154 K155 G156T148-N152 WeakPolarHBondContact O-CB 3.36Å; T148-N152 PolarHBondContact O-N 2.84Å; I149-N152 CarbonylContact O-C 3.59Å; I149-N152 PolarHBondContact O-N 2.8Å; I149-N152 VanDerWaalsContact O-N 3.16Å; S150-N152 VanDerWaalsContact C-N 3.35Å; S150-N152 PolarHBondContact O-N 2.99Å; N152-G154 VanDerWaalsContact C-N 3.34Å; N152-K155 PolarHBondContact O-N 2.76Å; N152-G156 PolarHBondContact O-N 2.86Å
153A79.9Confident82.6Confident7 Ų747 Ų476%0.05825%0.254CS..Hα-helixtrans-63-42.1174.200000111.3W4 I149 S150 G156 R157W4-A153 HydrophobicContact CH2-CB 3.45Å; W4-A153 VanDerWaalsContact CH2-CB 3.45Å; W4-A153 HydrophobicContact CZ2-CB 4.11Å; W4-A153 HydrophobicContact CZ3-CB 4.25Å; I149-A153 PolarHBondContact O-N 2.79Å; S150-A153 PolarHBondContact O-N 2.81Å; A153-G156 PolarHBondContact O-N 2.88Å; A153-R157 WeakPolarHBondContact O-CG 3.37Å; A153-R157 PolarHBondContact O-N 2.93Å; A153-R157 VanDerWaalsContact O-N 3.11Å
154G83.9Confident83.4Confident29 Ų2946 Ų4630%0.29924%0.244SC..Hα-helixtrans-58.4-52.4172.800000112.3S150 A151 N152 G156 R157 E158S150-G154 PolarHBondContact O-N 3.39Å; A151-G154 PolarHBondContact O-N 2.78Å; N152-G154 VanDerWaalsContact C-N 3.34Å; G154-G156 PolarHBondContact O-N 3.47Å; G154-R157 PolarHBondContact O-N 3.16Å; G154-R157 VanDerWaalsContact O-N 3.08Å; G154-E158 PolarHBondContact O-N 3.4Å; G154-E158 VanDerWaalsContact O-N 3.13Å
155K86.4Confident84.2Confident91 Ų9151.3 Ų51.340%0.39626%0.259SS..Hα-helixtrans-58.8-34.3175.1-66.7175.8177-176.60112.9M29 N30 A151 N152 A159M29-K155 HydrophobicContact CB-CB 4.43Å; N30-K155 PolarHBondContact ND2-O 3.22Å; N30-K155 WeakPolarHBondContact OD1-CB 2.95Å; A151-K155 PolarHBondContact O-N 2.89Å; N152-K155 PolarHBondContact O-N 2.76Å; K155-A159 VanDerWaalsContact O-CB 3.24Å; K155-A159 WeakPolarHBondContact O-CB 3Å; K155-A159 PolarHBondContact O-N 3.31Å
156G84.9Confident85Confident9 Ų953.8 Ų53.89%0.09327%0.267CS..Hα-helixtrans-62.8-41176.400000112.4N152 A153 G154 M160N152-G156 PolarHBondContact O-N 2.86Å; A153-G156 PolarHBondContact O-N 2.88Å; G154-G156 PolarHBondContact O-N 3.47Å; G156-M160 VanDerWaalsContact O-CG 3.27Å; G156-M160 WeakPolarHBondContact O-CG 3.45Å; G156-M160 PolarHBondContact O-N 3.42Å; G156-M160 VanDerWaalsContact O-N 3.09Å
157R88.9Confident85.7Confident57 Ų5752.9 Ų52.922%0.21526%0.259CS..Hα-helixtrans-68.7-45.4177.2-64.8167.4-165.7-171.90111.6S6 F10 A153 G154 A159 M160 E161S6-R157 PolarHBondContact OG-NH2 3.32Å; F10-R157 HydrophobicContact CZ-CG 4.41Å; A153-R157 WeakPolarHBondContact O-CG 3.37Å; A153-R157 PolarHBondContact O-N 2.93Å; A153-R157 VanDerWaalsContact O-N 3.11Å; G154-R157 PolarHBondContact O-N 3.16Å; G154-R157 VanDerWaalsContact O-N 3.08Å; R157-A159 VanDerWaalsContact C-N 3.33Å; R157-A159 PolarHBondContact O-N 3.31Å; R157-M160 WeakPolarHBondContact O-CB 3.46Å; R157-M160 PolarHBondContact O-N 3.01Å; R157-E161 PolarHBondContact O-N 3.44Å
158E89.9Confident86.2Confident111 Ų11148.1 Ų48.152%0.51924%0.242SC..Hα-helixtrans-62.4-40.8176.7-69174.7-165.500112.1M29 G154 M160 E161 W162M29-E158 HydrophobicContact CG-CB 3.98Å; G154-E158 PolarHBondContact O-N 3.4Å; G154-E158 VanDerWaalsContact O-N 3.13Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 2.8Å; E158-E161 PolarHBondContact O-N 3.27Å; E158-W162 WeakPolarHBondContact O-CB 3.12Å; E158-W162 PolarHBondContact O-N 2.86Å
159A89.5Confident86.8Confident0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-60.4-43.8174.200000112N27 M29 K155 R157 W162 V163N27-A159 HydrophobicContact CB-CB 4.13Å; N27-A159 VanDerWaalsContact CG-CB 3.46Å; N27-A159 VanDerWaalsContact OD1-CB 3.32Å; N27-A159 WeakPolarHBondContact OD1-CB 3.49Å; M29-A159 HydrophobicContact CB-CB 4.25Å; M29-A159 HydrophobicContact CG-CB 4.49Å; K155-A159 VanDerWaalsContact O-CB 3.24Å; K155-A159 WeakPolarHBondContact O-CB 3Å; K155-A159 PolarHBondContact O-N 3.31Å; R157-A159 VanDerWaalsContact C-N 3.33Å; R157-A159 PolarHBondContact O-N 3.31Å; A159-W162 PolarHBondContact O-N 2.82Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 3.22Å
160M91.9Very high87.4Confident2 Ų251.8 Ų51.81%0.0126%0.259CS..Hα-helixtrans-60.8-48.4177.1-76.4-64.3-61.200111.5F10 V17 A20 A21 K24 G156 R157 E158 W162 V163 I164F10-M160 HydrophobicContact CE1-CB 3.8Å; F10-M160 HydrophobicContact CZ-CB 4.01Å; F10-M160 HydrophobicContact CZ-CG 4.22Å; V17-M160 HydrophobicContact CG1-CE 3.85Å; V17-M160 VanDerWaalsContact O-CE 3.31Å; V17-M160 WeakPolarHBondContact O-CE 3.37Å; A20-M160 HydrophobicContact CB-CE 3.73Å; A20-M160 HydrophobicContact CB-SD 4.45Å; A21-M160 VanDerWaalsContact CA-SD 3.6Å; A21-M160 HydrophobicContact CB-CE 3.82Å; A21-M160 HydrophobicContact CB-SD 3.98Å; K24-M160 HydrophobicContact CB-SD 4.46Å; K24-M160 HydrophobicContact CD-SD 4.31Å; K24-M160 HydrophobicContact CG-SD 4.31Å; G156-M160 VanDerWaalsContact O-CG 3.27Å; G156-M160 WeakPolarHBondContact O-CG 3.45Å; G156-M160 PolarHBondContact O-N 3.42Å; G156-M160 VanDerWaalsContact O-N 3.09Å; R157-M160 WeakPolarHBondContact O-CB 3.46Å; R157-M160 PolarHBondContact O-N 3.01Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 2.8Å; M160-W162 VanDerWaalsContact C-N 3.3Å; M160-W162 PolarHBondContact O-N 2.87Å; M160-V163 PolarHBondContact O-N 2.81Å; M160-I164 VanDerWaalsContact O-CG1 3.23Å; M160-I164 WeakPolarHBondContact O-CG1 3.34Å; M160-I164 PolarHBondContact O-N 3.24Å
161E91.9Very high87.7Confident47 Ų4753 Ų5322%0.2226%0.261CS..Hα-helixtrans-59.3-40.8176.5-74-64.3159.900112.3H12 R157 E158 I164 R165H12-E161 IonicContact CD2-OE1 2.9Å; H12-E161 IonicContact CD2-OE2 3.18Å; H12-E161 IonicContact CE1-OE2 2.76Å; H12-E161 IonicContact NE2-OE1 2.72Å; H12-E161 PolarHBondContact NE2-OE1 3.42Å; H12-E161 IonicContact NE2-OE2 3.53Å; H12-E161 PolarHBondContact NE2-OE2 3.21Å; R157-E161 PolarHBondContact O-N 3.44Å; E158-E161 PolarHBondContact O-N 3.27Å; E161-I164 PolarHBondContact O-N 3.34Å; E161-R165 WeakPolarHBondContact O-CG 3.42Å; E161-R165 PolarHBondContact O-N 2.8Å
162W92.4Very high88Confident99 Ų9956.9 Ų56.938%0.37527%0.269SS..Hα-helixtrans-62.8-45.2176.2-178.786.8000112.1N27 P28 E158 A159 M160 R165 R166N27-W162 HydrophobicContact CB-CE3 4.2Å; N27-W162 HydrophobicContact CB-CZ3 4.36Å; P28-W162 HydrophobicContact CG-CD2 4.25Å; P28-W162 HydrophobicContact CG-CG 4.45Å; E158-W162 WeakPolarHBondContact O-CB 3.12Å; E158-W162 PolarHBondContact O-N 2.86Å; A159-W162 PolarHBondContact O-N 2.82Å; M160-W162 VanDerWaalsContact C-N 3.3Å; M160-W162 PolarHBondContact O-N 2.87Å; W162-R165 PolarHBondContact O-N 2.9Å; W162-R166 PolarHBondContact O-N 2.82Å
163V91.8Very high88.5Confident0 Ų059.4 Ų59.40%028%0.279CS..Hα-helixtrans-65.6-40.5177.8175.30000111.2A20 Q23 A159 M160 R165 R166 L167A20-V163 HydrophobicContact CB-CB 4.28Å; A20-V163 HydrophobicContact CB-CG1 3.82Å; Q23-V163 HydrophobicContact CB-CG1 4.32Å; A159-V163 WeakPolarHBondContact O-CG2 3.39Å; A159-V163 PolarHBondContact O-N 3.22Å; M160-V163 PolarHBondContact O-N 2.81Å; V163-R165 PolarHBondContact O-N 3.3Å; V163-R166 PolarHBondContact O-N 2.73Å; V163-L167 HydrophobicContact CG1-CD1 4.03Å; V163-L167 HydrophobicContact CG1-CG 4.27Å; V163-L167 WeakPolarHBondContact O-CB 3.48Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.22Å
164I91.3Very high88.7Confident0 Ų064.9 Ų64.90%031%0.307CS..Hα-helixtrans-60.5-46.5177.2-68.8166.8000110.7H12 T16 V17 A20 M160 E161 R166 L167 N168H12-I164 HydrophobicContact CB-CD1 4.36Å; T16-I164 HydrophobicContact CG2-CB 4.5Å; T16-I164 HydrophobicContact CG2-CG1 4.24Å; T16-I164 HydrophobicContact CG2-CG2 3.7Å; V17-I164 HydrophobicContact CG2-CD1 4.21Å; A20-I164 HydrophobicContact CB-CD1 4.3Å; A20-I164 HydrophobicContact CB-CG1 3.42Å; A20-I164 VanDerWaalsContact CB-CG1 3.42Å; M160-I164 VanDerWaalsContact O-CG1 3.23Å; M160-I164 WeakPolarHBondContact O-CG1 3.34Å; M160-I164 PolarHBondContact O-N 3.24Å; E161-I164 PolarHBondContact O-N 3.34Å; I164-R166 VanDerWaalsContact C-N 3.34Å; I164-R166 PolarHBondContact O-N 3.03Å; I164-L167 PolarHBondContact O-N 3.11Å; I164-N168 PolarHBondContact O-N 2.95Å
165R91.1Very high88.7Confident172 Ų17265.6 Ų65.665%0.64931%0.309SS*.Hα-helixtrans-58.8-45.7176.1-71.8176.1-169.3-170.62.1111.7E161 W162 V163 L167 N168 T169E161-R165 WeakPolarHBondContact O-CG 3.42Å; E161-R165 PolarHBondContact O-N 2.8Å; W162-R165 PolarHBondContact O-N 2.9Å; V163-R165 PolarHBondContact O-N 3.3Å; R165-L167 VanDerWaalsContact C-N 3.35Å; R165-L167 PolarHBondContact O-N 2.9Å; R165-N168 PolarHBondContact O-N 3.09Å; R165-T169 PolarHBondContact O-N 3.4Å; R165-T169 VanDerWaalsContact O-N 3.08Å; R165-T169 PolarHBondContact O-OG1 2.84Å
166R91.1Very high88.7Confident77 Ų7764 Ų6429%0.29131%0.313SS..Hα-helixtrans-58.4-47.1177.1-166-174.482.7-153.6-2.9111.6W162 V163 I164 N168 T169 E170W162-R166 PolarHBondContact O-N 2.82Å; V163-R166 PolarHBondContact O-N 2.73Å; I164-R166 VanDerWaalsContact C-N 3.34Å; I164-R166 PolarHBondContact O-N 3.03Å; R166-N168 VanDerWaalsContact C-N 3.33Å; R166-N168 PolarHBondContact O-N 3.03Å; R166-T169 PolarHBondContact O-N 3.4Å; R166-E170 IonicContact NE-OE1 3.4Å; R166-E170 PolarHBondContact NE-OE1 2.81Å; R166-E170 VanDerWaalsContact NE-OE1 3.12Å; R166-E170 WeakPolarHBondContact O-CG 3.39Å; R166-E170 PolarHBondContact O-N 3.1Å
167L88.9Confident88.8Confident3 Ų367.7 Ų67.72%0.01633%0.334CS..Hα-helixtrans-61.6-39.5178.9-75175.1000112.6K19 A20 V163 I164 R165 E170 I171K19-L167 HydrophobicContact CB-CD1 4.41Å; K19-L167 HydrophobicContact CD-CD1 4.22Å; K19-L167 HydrophobicContact CD-CD2 4.49Å; K19-L167 HydrophobicContact CG-CD1 3.99Å; A20-L167 HydrophobicContact CB-CD1 3.99Å; V163-L167 HydrophobicContact CG1-CD1 4.03Å; V163-L167 HydrophobicContact CG1-CG 4.27Å; V163-L167 WeakPolarHBondContact O-CB 3.48Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.22Å; I164-L167 PolarHBondContact O-N 3.11Å; R165-L167 VanDerWaalsContact C-N 3.35Å; R165-L167 PolarHBondContact O-N 2.9Å; L167-E170 PolarHBondContact O-N 2.79Å; L167-I171 VanDerWaalsContact O-CG1 3.25Å; L167-I171 WeakPolarHBondContact O-CG1 3.26Å; L167-I171 PolarHBondContact O-N 2.97Å; L167-I171 VanDerWaalsContact O-N 3.09Å
168N88.3Confident88.4Confident60 Ų6067.3 Ų67.332%0.32134%0.343SS..Hα-helixtrans-66-43.3177.5-70.9-14.5000111.4I164 R165 R166 E170 I171 E172I164-N168 PolarHBondContact O-N 2.95Å; R165-N168 PolarHBondContact O-N 3.09Å; R166-N168 VanDerWaalsContact C-N 3.33Å; R166-N168 PolarHBondContact O-N 3.03Å; N168-E170 PolarHBondContact O-N 2.86Å; N168-I171 PolarHBondContact O-N 3.48Å; N168-E172 WeakPolarHBondContact O-CG 3.43Å; N168-E172 PolarHBondContact O-N 2.96Å
169T89.2Confident87.7Confident67 Ų6767.8 Ų67.841%0.41135%0.345SS..Hα-helixtrans-61-44.4175.3-56.30000111.9R165 R166 I171 E172 E173R165-T169 PolarHBondContact O-N 3.4Å; R165-T169 VanDerWaalsContact O-N 3.08Å; R165-T169 PolarHBondContact O-OG1 2.84Å; R166-T169 PolarHBondContact O-N 3.4Å; T169-I171 VanDerWaalsContact C-N 3.29Å; T169-I171 PolarHBondContact O-N 3.48Å; T169-E172 PolarHBondContact O-N 3.16Å; T169-E173 HydrophobicContact CG2-CG 4.47Å; T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 3.25Å
170E87.1Confident86.9Confident75 Ų7570.2 Ų70.235%0.3537%0.365SS..Hα-helixtrans-59.2-39.8176-72.5171.1-159.500111.8R166 L167 N168 L174R166-E170 IonicContact NE-OE1 3.4Å; R166-E170 PolarHBondContact NE-OE1 2.81Å; R166-E170 VanDerWaalsContact NE-OE1 3.12Å; R166-E170 WeakPolarHBondContact O-CG 3.39Å; R166-E170 PolarHBondContact O-N 3.1Å; L167-E170 PolarHBondContact O-N 2.79Å; N168-E170 PolarHBondContact O-N 2.86Å; E170-L174 WeakPolarHBondContact O-CB 3.48Å; E170-L174 WeakPolarHBondContact O-CD1 3.43Å; E170-L174 WeakPolarHBondContact O-CG 3.3Å; E170-L174 PolarHBondContact O-N 3.43Å
171I85Confident86Confident87 Ų8774.1 Ų74.145%0.44639%0.39SS..Hα-helixtrans-66.4-43.1177.6-69.1167.2000111.2L167 N168 T169 L174 A175L167-I171 VanDerWaalsContact O-CG1 3.25Å; L167-I171 WeakPolarHBondContact O-CG1 3.26Å; L167-I171 PolarHBondContact O-N 2.97Å; L167-I171 VanDerWaalsContact O-N 3.09Å; N168-I171 PolarHBondContact O-N 3.48Å; T169-I171 VanDerWaalsContact C-N 3.29Å; T169-I171 PolarHBondContact O-N 3.48Å; I171-L174 PolarHBondContact O-N 2.83Å; I171-A175 WeakPolarHBondContact O-CB 3.38Å; I171-A175 PolarHBondContact O-N 3.4Å
172E86.6Confident84.7Confident135 Ų13577.4 Ų77.463%0.63141%0.408SS*.Hα-helixtrans-62.9-43.4177.5-72.8174.2-178.500111.8N168 T169 A175 A176N168-E172 WeakPolarHBondContact O-CG 3.43Å; N168-E172 PolarHBondContact O-N 2.96Å; T169-E172 PolarHBondContact O-N 3.16Å; E172-A175 PolarHBondContact O-N 3.03Å; E172-A176 WeakPolarHBondContact O-CB 3.31Å; E172-A176 PolarHBondContact O-N 3.33Å
173E87.5Confident83.1Confident120 Ų12081.7 Ų81.756%0.56142%0.424SS*.Hα-helixtrans-64.1-42.6176.9-73178177.300112.1T169 A176 T177T169-E173 HydrophobicContact CG2-CG 4.47Å; T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 3.25Å; E173-A176 PolarHBondContact O-N 2.88Å; E173-T177 WeakPolarHBondContact O-CB 3.4Å; E173-T177 PolarHBondContact O-N 3.38Å; E173-T177 PolarHBondContact O-OG1 3.47Å
174L85.4Confident81.3Confident122 Ų12287.6 Ų87.664%0.63945%0.454SS*.Hα-helixtrans-63.7-41.6175-71.9169.8000111.4E170 I171 T177 A178E170-L174 WeakPolarHBondContact O-CB 3.48Å; E170-L174 WeakPolarHBondContact O-CD1 3.43Å; E170-L174 WeakPolarHBondContact O-CG 3.3Å; E170-L174 PolarHBondContact O-N 3.43Å; I171-L174 PolarHBondContact O-N 2.83Å; L174-T177 PolarHBondContact O-N 2.98Å; L174-A178 VanDerWaalsContact O-CB 3.32Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 2.95Å
175A84.3Confident79.4Confident43 Ų4391.5 Ų91.536%0.35548%0.479SS..Hα-helixtrans-64.3-43.6176.400000111.7I171 E172 A178 Q179I171-A175 WeakPolarHBondContact O-CB 3.38Å; I171-A175 PolarHBondContact O-N 3.4Å; E172-A175 PolarHBondContact O-N 3.03Å; A175-A178 PolarHBondContact O-N 2.85Å; A175-Q179 WeakPolarHBondContact O-CB 3.32Å; A175-Q179 VanDerWaalsContact O-CG 3.28Å; A175-Q179 WeakPolarHBondContact O-CG 3.08Å; A175-Q179 PolarHBondContact O-N 3.01Å
176A85.8Confident77.3Confident57 Ų5789.7 Ų89.747%0.47148%0.48SS..Hα-helixtrans-61.8-43.4175.800000111.7E172 E173 Q179 A180E172-A176 WeakPolarHBondContact O-CB 3.31Å; E172-A176 PolarHBondContact O-N 3.33Å; E173-A176 PolarHBondContact O-N 2.88Å; A176-Q179 PolarHBondContact O-N 2.95Å; A176-A180 WeakPolarHBondContact O-CB 3.31Å; A176-A180 PolarHBondContact O-N 2.89Å
177T86.2Confident75.4Confident88 Ų8889.3 Ų89.354%0.5449%0.493SS..Hα-helixtrans-65.2-43.1177.4-55.30000111.7E173 L174 A180 T181E173-T177 WeakPolarHBondContact O-CB 3.4Å; E173-T177 PolarHBondContact O-N 3.38Å; E173-T177 PolarHBondContact O-OG1 3.47Å; L174-T177 PolarHBondContact O-N 2.98Å; T177-A180 PolarHBondContact O-N 2.96Å; T177-T181 WeakPolarHBondContact O-CB 3.33Å; T177-T181 PolarHBondContact O-N 3.4Å; T177-T181 PolarHBondContact O-OG1 2.95Å
178A80.6Confident73.6Confident49 Ų4992.3 Ų92.341%0.40552%0.519SS..Hα-helixtrans-63.8-43.8176.500000111.6L174 A175 A180 T181 I182L174-A178 VanDerWaalsContact O-CB 3.32Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 2.95Å; A175-A178 PolarHBondContact O-N 2.85Å; A178-A180 PolarHBondContact O-N 3.28Å; A178-T181 PolarHBondContact O-N 3.1Å; A178-I182 VanDerWaalsContact O-CG1 3.26Å; A178-I182 WeakPolarHBondContact O-CG1 3.44Å; A178-I182 PolarHBondContact O-N 3.33Å
179Q75.6Confident71.8Confident120 Ų12093 Ų9356%0.56153%0.533SS*.Hα-helixtrans-62.8-40.7175.4-74178.212.900112.4A175 A176 T181 I182 R183A175-Q179 WeakPolarHBondContact O-CB 3.32Å; A175-Q179 VanDerWaalsContact O-CG 3.28Å; A175-Q179 WeakPolarHBondContact O-CG 3.08Å; A175-Q179 PolarHBondContact O-N 3.01Å; A176-Q179 PolarHBondContact O-N 2.95Å; Q179-T181 VanDerWaalsContact C-N 3.35Å; Q179-I182 PolarHBondContact O-N 2.72Å; Q179-R183 WeakPolarHBondContact O-CG 3.28Å; Q179-R183 PolarHBondContact O-N 3.17Å; Q179-R183 VanDerWaalsContact O-N 3.09Å
180A73.6Confident70.1Confident51 Ų5195.3 Ų95.342%0.42155%0.546SS..Hα-helixtrans-62.6-43.1174.500000111.4A176 T177 A178 I182 R183 I184A176-A180 WeakPolarHBondContact O-CB 3.31Å; A176-A180 PolarHBondContact O-N 2.89Å; T177-A180 PolarHBondContact O-N 2.96Å; A178-A180 PolarHBondContact O-N 3.28Å; A180-I182 PolarHBondContact O-N 3.15Å; A180-R183 PolarHBondContact O-N 2.91Å; A180-I184 WeakPolarHBondContact O-CG1 3.2Å; A180-I184 PolarHBondContact O-N 3.42Å
181T72.8Confident68.4Low85 Ų8595.8 Ų95.852%0.52156%0.563SS.*Hα-helixtrans-65.9-37.1178.6-52.20000112.2T177 A178 Q179 P185T177-T181 WeakPolarHBondContact O-CB 3.33Å; T177-T181 PolarHBondContact O-N 3.4Å; T177-T181 PolarHBondContact O-OG1 2.95Å; A178-T181 PolarHBondContact O-N 3.1Å; Q179-T181 VanDerWaalsContact C-N 3.35Å; T181-P185 WeakPolarHBondContact O-CD 3.46Å
182I64.9Low66.6Low116 Ų116100 Ų10060%0.59558%0.581SS**Hα-helixtrans-72.7-28.2177.1-67.8164.4000112.3A178 Q179 A180 P185A178-I182 VanDerWaalsContact O-CG1 3.26Å; A178-I182 WeakPolarHBondContact O-CG1 3.44Å; A178-I182 PolarHBondContact O-N 3.33Å; Q179-I182 PolarHBondContact O-N 2.72Å; A180-I182 PolarHBondContact O-N 3.15Å; I182-P185 WeakPolarHBondContact O-CD 3.31Å
183R57.3Low64.3Low189 Ų189106.5 Ų106.571%0.71361%0.607SS**Hα-helixtrans-74-27.9177.6-78.5179.9176.6178.61.4113.7Q179 A180 M186 A187Q179-R183 WeakPolarHBondContact O-CG 3.28Å; Q179-R183 PolarHBondContact O-N 3.17Å; Q179-R183 VanDerWaalsContact O-N 3.09Å; A180-R183 PolarHBondContact O-N 2.91Å; R183-M186 PolarHBondContact O-N 3.17Å; R183-A187 PolarHBondContact O-N 3.21Å
184I54Low63.1Low123 Ų123105.9 Ų105.963%0.63161%0.61SS**Hα-helixtrans-65.2-43-178.4-65.8163.3000112.8A180 M186A180-I184 WeakPolarHBondContact O-CG1 3.2Å; A180-I184 PolarHBondContact O-N 3.42Å; I184-M186 PolarHBondContact O-N 3.43Å
185P51.8Low62Low82 Ų82105 Ų10553%0.53261%0.608SS.*Hα-helixtrans-65.2-34.4174.4-19.725.7000114.6T181 I182 A188 A189T181-P185 WeakPolarHBondContact O-CD 3.46Å; I182-P185 WeakPolarHBondContact O-CD 3.31Å; P185-A188 PolarHBondContact O-N 2.86Å; P185-A189 PolarHBondContact O-N 3.15Å
186M48.3Very low60.7Low134 Ų134108.4 Ų108.466%0.6662%0.622SS**Hα-helixtrans-71.5-30.7-177.3-88.2-169.875.200113.1R183 I184 V190R183-M186 PolarHBondContact O-N 3.17Å; I184-M186 PolarHBondContact O-N 3.43Å; M186-V190 VanDerWaalsContact O-CG2 3.29Å; M186-V190 WeakPolarHBondContact O-CG2 3.48Å; M186-V190 PolarHBondContact O-N 3.19Å
187A50.1Low59.2Low70 Ų70111.5 Ų111.558%0.57963%0.631SS**Hα-helixtrans-71-33.3176.100000112.4R183R183-A187 PolarHBondContact O-N 3.21Å
188A50.8Low57.6Low66 Ų66112.9 Ų112.955%0.54564%0.637SS.*Hα-helixtrans-71.8-37176.800000112.5P185 V190 A191P185-A188 PolarHBondContact O-N 2.86Å; A188-V190 VanDerWaalsContact C-N 3.32Å; A188-V190 PolarHBondContact O-N 3.07Å; A188-A191 PolarHBondContact O-N 3.2Å
189A51.9Low56Low75 Ų75117.2 Ų117.262%0.6265%0.652SS**Hα-helixtrans-74.4-16.6-179.700000114.6P185P185-A189 PolarHBondContact O-N 3.15Å
190V52.4Low54.6Low114 Ų114117 Ų11769%0.69166%0.659SS**Hα-helixtrans-92.1-15.4178.3179.20000112M186 A188M186-V190 VanDerWaalsContact O-CG2 3.29Å; M186-V190 WeakPolarHBondContact O-CG2 3.48Å; M186-V190 PolarHBondContact O-N 3.19Å; A188-V190 VanDerWaalsContact C-N 3.32Å; A188-V190 PolarHBondContact O-N 3.07Å
191A52.5Low53.2Low86 Ų86122.1 Ų122.171%0.71168%0.677SS**SBendtrans-86.9-4.8179.100000114.4A188A188-A191 PolarHBondContact O-N 3.2Å
192E46.9Very low51.5Low176 Ų176125.2 Ų125.282%0.82269%0.69SS**  trans-102.635.3179.3-70.5-168.1149.500114.1
193K37.4Very low50.3Low271 Ų271126 Ų126100%1.17870%0.698SS**  trans-127.40169.5-94.9-171.6176.4-178.90112.9

Retrieved 193 of 193 residues in 263.2 ms (Link to these results)

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