A0A3Q2ZHK9_KRYMA Loading...

Neuron-specific calcium-binding protein hippocalcin

Calcium-binding protein that may play a role in the regulation of voltage-dependent calcium channels. May also play a role in cyclic-nucleotide-mediated signaling through the regulation of adenylate and guanylate cyclases.

AlphaFold DB , UniProt , Accession A0A3Q2ZHK9, Species KRYMA (Kryptolebias marmoratus, Mangrove killifish), Gene n/a, 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
1M34.5Very low63.5Low251 Ų251129.1 Ų129.1100%1.23666%0.664SS**  0128.40-74.9165.2157.700107.2
2G41.7Very low65.2Low75 Ų75121.8 Ų121.877%0.77363%0.625SS**  trans-61.6138.9-152.900000115.3Q4G2-Q4 PolarHBondContact O-N 3.24Å
3K40.2Very low66.9Low209 Ų209115 Ų11591%0.90959%0.591SS**  trans-60.4106.1165.7-74178.6175.71790107.4N5K3-N5 PolarHBondContact O-N 3.07Å
4Q55.2Low68.5Low112 Ų112115.2 Ų115.252%0.52359%0.588SS.*  trans-56.1126.2166-80.7177.2-1800107.5G2 S6 P39G2-Q4 PolarHBondContact O-N 3.24Å; Q4-S6 PolarHBondContact O-N 3.08Å; Q4-S6 PolarHBondContact O-OG 2.79Å; Q4-P39 PolarHBondContact NE2-O 3.15Å; Q4-P39 PolarHBondContact OE1-O 3.46Å
5N55.4Low69.9Low124 Ų124110.7 Ų110.766%0.66357%0.566SS**  trans-69.4103.5-174-154.89.7000107.8K3 K7K3-N5 PolarHBondContact O-N 3.07Å; N5-K7 PolarHBondContact O-N 2.95Å
6S63Low71.1Confident66 Ų66103.8 Ų103.846%0.46253%0.53SS..  trans-70.214.8-175.7-36.50000113.8Q4 Q28Q4-S6 PolarHBondContact O-N 3.08Å; Q4-S6 PolarHBondContact O-OG 2.79Å; S6-Q28 PolarHBondContact O-NE2 2.98Å
7K75.3Confident72.2Confident145 Ų145106.7 Ų106.763%0.6353%0.533SS*.SBendtrans-117.4132.9-179.7-70.1-169.2-178.7-174.80110N5N5-K7 PolarHBondContact O-N 2.95Å
8L80.1Confident73.1Confident10 Ų10108.4 Ų108.45%0.05254%0.539CS..  trans-63.7141.1173.5-71.3164.8000109.5M12 L13 L16 L27 Y31 F82L8-M12 HydrophobicContact CD2-CE 4.14Å; L8-M12 HydrophobicContact CD2-CG 4.26Å; L8-M12 HydrophobicContact CD2-SD 3.72Å; L8-L13 HydrophobicContact CB-CD1 4.02Å; L8-L13 HydrophobicContact CB-CD2 3.99Å; L8-L13 HydrophobicContact CB-CG 3.6Å; L8-L13 HydrophobicContact CD1-CD2 3.6Å; L8-L13 HydrophobicContact CD1-CG 4.15Å; L8-L13 HydrophobicContact CG-CD2 4.45Å; L8-L16 HydrophobicContact CD1-CD1 4.17Å; L8-L16 HydrophobicContact CD2-CD1 4.29Å; L8-L27 HydrophobicContact CD1-CB 4.04Å; L8-Y31 HydrophobicContact CD1-CG 4.25Å; L8-Y31 HydrophobicContact CD2-CD1 3.78Å; L8-Y31 HydrophobicContact CD2-CD2 3.55Å; L8-Y31 HydrophobicContact CD2-CE1 3.98Å; L8-Y31 HydrophobicContact CD2-CE2 3.77Å; L8-Y31 HydrophobicContact CD2-CG 3.53Å; L8-Y31 HydrophobicContact CG-CD1 3.62Å; L8-Y31 HydrophobicContact CG-CD2 4.17Å; L8-Y31 HydrophobicContact CG-CE1 4.15Å; L8-Y31 HydrophobicContact CG-CG 3.61Å; L8-F82 HydrophobicContact CD1-CE1 3.99Å; L8-F82 HydrophobicContact CD2-CD1 3.89Å; L8-F82 HydrophobicContact CD2-CE1 3.83Å; L8-F82 HydrophobicContact CG-CE1 4.46Å
9R84.9Confident73.8Confident163 Ų163106.8 Ų106.862%0.61553%0.533SS*.  trans-67.8147.2173.9-66.9-179.8-68.4170.2-0.5109.4E11 M12 L13R9-E11 VanDerWaalsContact C-N 3.28Å; R9-E11 PolarHBondContact O-N 3.14Å; R9-M12 HydrophobicContact CB-CB 4.42Å; R9-M12 PolarHBondContact O-N 3.18Å; R9-L13 PolarHBondContact O-N 3.44Å
10P83.6Confident74.6Confident109 Ų109102 Ų10271%0.70851%0.509SS*.Hα-helixtrans-54.4-41-179.5-2734.9000113.9M12 L13 Q14P10-M12 VanDerWaalsContact C-N 3.35Å; P10-M12 PolarHBondContact O-N 3.37Å; P10-L13 PolarHBondContact O-N 3.45Å; P10-Q14 PolarHBondContact O-N 2.97Å
11E84.6Confident75.2Confident156 Ų156103.2 Ų103.273%0.72951%0.514SS*.Hα-helixtrans-62.4-41.2177.7-64.4169.9-177.600112.1R9 Q14 D15R9-E11 VanDerWaalsContact C-N 3.28Å; R9-E11 PolarHBondContact O-N 3.14Å; E11-Q14 PolarHBondContact O-N 3.42Å; E11-D15 PolarHBondContact O-N 3.41Å; E11-D15 VanDerWaalsContact O-N 3.14Å
12M84.4Confident77.7Confident41 Ų4191.9 Ų91.920%0.20246%0.457CS..Hα-helixtrans-71.1-38.6177.8-169.4175.2-177.600111.2L8 R9 P10 Q14 D15 L16 F82 R83L8-M12 HydrophobicContact CD2-CE 4.14Å; L8-M12 HydrophobicContact CD2-CG 4.26Å; L8-M12 HydrophobicContact CD2-SD 3.72Å; R9-M12 HydrophobicContact CB-CB 4.42Å; R9-M12 PolarHBondContact O-N 3.18Å; P10-M12 VanDerWaalsContact C-N 3.35Å; P10-M12 PolarHBondContact O-N 3.37Å; M12-Q14 VanDerWaalsContact C-N 3.31Å; M12-Q14 PolarHBondContact O-N 3.31Å; M12-D15 PolarHBondContact O-N 2.71Å; M12-L16 HydrophobicContact CE-CD1 4.42Å; M12-L16 HydrophobicContact CG-CD1 4.18Å; M12-L16 HydrophobicContact CG-CG 4.36Å; M12-L16 WeakPolarHBondContact O-CB 3.44Å; M12-L16 WeakPolarHBondContact O-CG 3.44Å; M12-L16 PolarHBondContact O-N 3.42Å; M12-F82 HydrophobicContact CE-CB 4.5Å; M12-F82 HydrophobicContact CE-CD1 4.02Å; M12-R83 HydrophobicContact CE-CB 4.14Å
13L87.1Confident80Confident34 Ų3491 Ų9118%0.17844%0.439CS..Hα-helixtrans-60.2-41.7173.8-84.7164.4000112.1L8 R9 P10 R17 L27L8-L13 HydrophobicContact CB-CD1 4.02Å; L8-L13 HydrophobicContact CB-CD2 3.99Å; L8-L13 HydrophobicContact CB-CG 3.6Å; L8-L13 HydrophobicContact CD1-CD2 3.6Å; L8-L13 HydrophobicContact CD1-CG 4.15Å; L8-L13 HydrophobicContact CG-CD2 4.45Å; R9-L13 PolarHBondContact O-N 3.44Å; P10-L13 PolarHBondContact O-N 3.45Å; L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.48Å; L13-R17 PolarHBondContact O-N 3.02Å; L13-L27 HydrophobicContact CD2-CB 4.13Å; L13-L27 HydrophobicContact CD2-CD1 4.24Å
14Q88.6Confident82.3Confident118 Ų11884.4 Ų84.455%0.55141%0.414SS*.Hα-helixtrans-62.8-51177.5-177.3176.3-2.400111.3P10 E11 M12 L16 R17 E18P10-Q14 PolarHBondContact O-N 2.97Å; E11-Q14 PolarHBondContact O-N 3.42Å; M12-Q14 VanDerWaalsContact C-N 3.31Å; M12-Q14 PolarHBondContact O-N 3.31Å; Q14-L16 VanDerWaalsContact C-N 3.35Å; Q14-L16 PolarHBondContact O-N 2.93Å; Q14-R17 PolarHBondContact O-N 2.92Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.21Å; Q14-E18 PolarHBondContact NE2-OE1 3.47Å; Q14-E18 VanDerWaalsContact NE2-OE1 3.07Å; Q14-E18 WeakPolarHBondContact O-CG 3.28Å; Q14-E18 PolarHBondContact O-N 3.03Å
15D89.5Confident83.9Confident47 Ų4785.7 Ų85.725%0.25142%0.42SS..Hα-helixtrans-57.7-45.8177.1165.277.4000111.9E11 M12 R17 E18 N19 R83E11-D15 PolarHBondContact O-N 3.41Å; E11-D15 VanDerWaalsContact O-N 3.14Å; M12-D15 PolarHBondContact O-N 2.71Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 PolarHBondContact O-N 3.05Å; D15-E18 PolarHBondContact O-N 2.64Å; D15-N19 PolarHBondContact O-N 3.09Å; D15-N19 VanDerWaalsContact O-N 3.09Å; D15-N19 PolarHBondContact O-ND2 3.14Å; D15-N19 PolarHBondContact OD1-ND2 2.8Å; D15-N19 VanDerWaalsContact OD1-ND2 3.08Å; D15-R83 IonicContact OD1-CZ 2.71Å; D15-R83 IonicContact OD1-NE 2.67Å; D15-R83 IonicContact OD1-NH2 3.42Å; D15-R83 PolarHBondContact OD1-NH2 3.24Å; D15-R83 IonicContact OD2-CZ 2.68Å; D15-R83 IonicContact OD2-NE 3.24Å; D15-R83 PolarHBondContact OD2-NE 3.4Å; D15-R83 IonicContact OD2-NH2 3.75Å; D15-R83 PolarHBondContact OD2-NH2 2.83Å
16L90.3Very high85.5Confident0 Ų082.6 Ų82.60%040%0.401CS..Hα-helixtrans-64.5-35.1178.8-68.8-179.4000112.5L8 M12 Q14 N19 T20 L27 F82 R83 I86L8-L16 HydrophobicContact CD1-CD1 4.17Å; L8-L16 HydrophobicContact CD2-CD1 4.29Å; M12-L16 HydrophobicContact CE-CD1 4.42Å; M12-L16 HydrophobicContact CG-CD1 4.18Å; M12-L16 HydrophobicContact CG-CG 4.36Å; M12-L16 WeakPolarHBondContact O-CB 3.44Å; M12-L16 WeakPolarHBondContact O-CG 3.44Å; M12-L16 PolarHBondContact O-N 3.42Å; Q14-L16 VanDerWaalsContact C-N 3.35Å; Q14-L16 PolarHBondContact O-N 2.93Å; L16-N19 PolarHBondContact O-N 2.84Å; L16-T20 VanDerWaalsContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CB 3.39Å; L16-T20 WeakPolarHBondContact O-CG2 3.18Å; L16-T20 PolarHBondContact O-N 2.84Å; L16-T20 PolarHBondContact O-OG1 3.09Å; L16-L27 HydrophobicContact CB-CD1 3.8Å; L16-L27 HydrophobicContact CB-CD2 4.14Å; L16-L27 HydrophobicContact CD1-CD2 4.37Å; L16-F82 HydrophobicContact CD1-CD1 4.08Å; L16-F82 HydrophobicContact CD1-CE1 3.7Å; L16-R83 HydrophobicContact CD2-CB 4.03Å; L16-R83 HydrophobicContact CD2-CG 3.76Å; L16-I86 HydrophobicContact CD1-CG2 4.25Å; L16-I86 HydrophobicContact CD2-CG2 3.54Å; L16-I86 HydrophobicContact CG-CG2 4.43Å
17R88.7Confident86.8Confident154 Ų15479.4 Ų79.458%0.58138%0.379SS*.Hα-helixtrans-70.1-33.4176.8-176.2178.4179.1162.3-6112.6L13 Q14 D15 N19 D24L13-R17 VanDerWaalsContact O-CB 3.28Å; L13-R17 WeakPolarHBondContact O-CB 3.48Å; L13-R17 PolarHBondContact O-N 3.02Å; Q14-R17 PolarHBondContact O-N 2.92Å; D15-R17 VanDerWaalsContact C-N 3.3Å; D15-R17 PolarHBondContact O-N 3.05Å; R17-N19 VanDerWaalsContact C-N 3.31Å; R17-D24 WeakPolarHBondContact CD-OD1 3.23Å; R17-D24 IonicContact CZ-OD1 3.28Å; R17-D24 IonicContact NE-OD1 3.84Å; R17-D24 IonicContact NH1-OD1 3.15Å; R17-D24 PolarHBondContact NH1-OD1 2.92Å; R17-D24 VanDerWaalsContact NH1-OD1 3.15Å; R17-D24 IonicContact NH1-OD2 3.46Å; R17-D24 PolarHBondContact NH1-OD2 3.22Å
18E88.8Confident87.4Confident138 Ų13874.1 Ų74.165%0.64536%0.357SS*.Hα-helixtrans-74.1-26.2176.6-71173.9-169.200112Q14 D15Q14-E18 WeakPolarHBondContact CG-OE1 3.21Å; Q14-E18 PolarHBondContact NE2-OE1 3.47Å; Q14-E18 VanDerWaalsContact NE2-OE1 3.07Å; Q14-E18 WeakPolarHBondContact O-CG 3.28Å; Q14-E18 PolarHBondContact O-N 3.03Å; D15-E18 PolarHBondContact O-N 2.64Å
19N86.9Confident87.8Confident78 Ų7878 Ų7842%0.41738%0.375SS..Hα-helixtrans-107.4-2.1-175.1-67.7-76.8000114.6D15 L16 R17 I87D15-N19 PolarHBondContact O-N 3.09Å; D15-N19 VanDerWaalsContact O-N 3.09Å; D15-N19 PolarHBondContact O-ND2 3.14Å; D15-N19 PolarHBondContact OD1-ND2 2.8Å; D15-N19 VanDerWaalsContact OD1-ND2 3.08Å; L16-N19 PolarHBondContact O-N 2.84Å; R17-N19 VanDerWaalsContact C-N 3.31Å; N19-I87 HydrophobicContact CB-CD1 4.15Å; N19-I87 HydrophobicContact CB-CG1 4.28Å
20T88.9Confident88Confident9 Ų975.4 Ų75.46%0.05537%0.365CS..SBendtrans-136.8160-179.673.80000112.9L16 F22 I86 I87 S90L16-T20 VanDerWaalsContact O-CB 3.27Å; L16-T20 WeakPolarHBondContact O-CB 3.39Å; L16-T20 WeakPolarHBondContact O-CG2 3.18Å; L16-T20 PolarHBondContact O-N 2.84Å; L16-T20 PolarHBondContact O-OG1 3.09Å; T20-F22 PolarHBondContact O-N 3.32Å; T20-I86 HydrophobicContact CG2-CG2 4.29Å; T20-I87 HydrophobicContact CG2-CG1 3.86Å; T20-S90 WeakPolarHBondContact CA-OG 3.46Å
21E87Confident88.2Confident129 Ų12972.2 Ų72.260%0.60334%0.339SS*.SBendtrans-93.128175.6-60.5-69132.600111.5S90 R94E21-S90 PolarHBondContact N-OG 3.15Å; E21-R94 HydrophobicContact CB-CB 3.92Å; E21-R94 HydrophobicContact CG-CB 4.34Å; E21-R94 PolarHBondContact O-NH1 2.76Å
22F87.9Confident88.3Confident12 Ų1269.1 Ų69.15%0.05332%0.323CS..  trans-104.5143.5178.7-69.7-69.7000111.7T20 E26 L27 W30 I86 L89T20-F22 PolarHBondContact O-N 3.32Å; F22-E26 HydrophobicContact CB-CB 4.27Å; F22-E26 HydrophobicContact CD1-CB 4.09Å; F22-L27 HydrophobicContact CB-CD2 3.69Å; F22-L27 HydrophobicContact CB-CG 3.84Å; F22-L27 HydrophobicContact CD2-CD2 4.38Å; F22-L27 HydrophobicContact CG-CD2 4.38Å; F22-W30 AromaticContact CE1-NE1 3.92Å; F22-I86 HydrophobicContact CD2-CD1 3.83Å; F22-I86 HydrophobicContact CD2-CG1 3.87Å; F22-I86 HydrophobicContact CE2-CD1 3.65Å; F22-I86 HydrophobicContact CE2-CG1 4.04Å; F22-I86 HydrophobicContact CZ-CD1 4.28Å; F22-L89 HydrophobicContact CE2-CG 4.46Å; F22-L89 HydrophobicContact CZ-CD2 4.13Å; F22-L89 HydrophobicContact CZ-CG 4.15Å
23S89.4Confident88.4Confident57 Ų5768.5 Ų68.540%0.39933%0.327SS..  trans-75.7157.7171.762.60000112.1H25 E26 L27S23-H25 PolarHBondContact O-N 2.86Å; S23-H25 VanDerWaalsContact O-N 3.12Å; S23-E26 PolarHBondContact N-OE2 2.87Å; S23-E26 PolarHBondContact O-N 3.49Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.27Å; S23-E26 PolarHBondContact OG-N 2.92Å; S23-E26 PolarHBondContact OG-OE2 2.64Å; S23-L27 WeakPolarHBondContact O-CG 3.34Å; S23-L27 PolarHBondContact O-N 3Å
24D88.8Confident88.3Confident71 Ų7167.4 Ų67.438%0.3832%0.321SS..Hα-helixtrans-51.6-38.2177-59.620.4000112.6R17 Q28R17-D24 WeakPolarHBondContact CD-OD1 3.23Å; R17-D24 IonicContact CZ-OD1 3.28Å; R17-D24 IonicContact NE-OD1 3.84Å; R17-D24 IonicContact NH1-OD1 3.15Å; R17-D24 PolarHBondContact NH1-OD1 2.92Å; R17-D24 VanDerWaalsContact NH1-OD1 3.15Å; R17-D24 IonicContact NH1-OD2 3.46Å; R17-D24 PolarHBondContact NH1-OD2 3.22Å; D24-Q28 VanDerWaalsContact O-CB 3.26Å; D24-Q28 WeakPolarHBondContact O-CB 3.26Å; D24-Q28 PolarHBondContact O-N 3.09Å; D24-Q28 VanDerWaalsContact O-N 3.09Å
25H88.7Confident88.2Confident139 Ų13963 Ų6364%0.64430%0.301SS*.Hα-helixtrans-66.6-45.6177.1-178.6-84.6000111.8S23 Q28 E29S23-H25 PolarHBondContact O-N 2.86Å; S23-H25 VanDerWaalsContact O-N 3.12Å; H25-Q28 PolarHBondContact O-N 3.19Å; H25-E29 WeakPolarHBondContact O-CG 3.3Å; H25-E29 PolarHBondContact O-N 2.8Å
26E89.3Confident88Confident58 Ų5868.9 Ų68.927%0.27132%0.324SS..Hα-helixtrans-64.3-44.6177.6-70.117112000111.6F22 S23 Q28 E29 W30 R94F22-E26 HydrophobicContact CB-CB 4.27Å; F22-E26 HydrophobicContact CD1-CB 4.09Å; S23-E26 PolarHBondContact N-OE2 2.87Å; S23-E26 PolarHBondContact O-N 3.49Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.27Å; S23-E26 PolarHBondContact OG-N 2.92Å; S23-E26 PolarHBondContact OG-OE2 2.64Å; E26-Q28 PolarHBondContact O-N 3.02Å; E26-E29 PolarHBondContact O-N 2.9Å; E26-W30 WeakPolarHBondContact O-CB 3.29Å; E26-W30 VanDerWaalsContact O-CD1 3.28Å; E26-W30 PolarHBondContact O-N 3.38Å; E26-R94 IonicContact OE1-CZ 3.41Å; E26-R94 IonicContact OE1-NH1 2.71Å; E26-R94 PolarHBondContact OE1-NH1 2.92Å; E26-R94 IonicContact OE1-NH2 3.5Å; E26-R94 PolarHBondContact OE1-NH2 2.82Å; E26-R94 IonicContact OE2-NH1 2.93Å; E26-R94 PolarHBondContact OE2-NH1 2.8Å; E26-R94 VanDerWaalsContact OE2-NH1 3.15Å; E26-R94 IonicContact OE2-NH2 2.66Å
27L89.9Confident87.5Confident0 Ų074.8 Ų74.80%036%0.356CS..Hα-helixtrans-56.8-42.3176.3-69.9174.5000111.2L8 L13 L16 F22 S23 Y31 I86L8-L27 HydrophobicContact CD1-CB 4.04Å; L13-L27 HydrophobicContact CD2-CB 4.13Å; L13-L27 HydrophobicContact CD2-CD1 4.24Å; L16-L27 HydrophobicContact CB-CD1 3.8Å; L16-L27 HydrophobicContact CB-CD2 4.14Å; L16-L27 HydrophobicContact CD1-CD2 4.37Å; F22-L27 HydrophobicContact CB-CD2 3.69Å; F22-L27 HydrophobicContact CB-CG 3.84Å; F22-L27 HydrophobicContact CD2-CD2 4.38Å; F22-L27 HydrophobicContact CG-CD2 4.38Å; S23-L27 WeakPolarHBondContact O-CG 3.34Å; S23-L27 PolarHBondContact O-N 3Å; L27-Y31 VanDerWaalsContact O-CB 3.31Å; L27-Y31 WeakPolarHBondContact O-CB 3.34Å; L27-Y31 PolarHBondContact O-N 2.89Å; L27-I86 HydrophobicContact CD2-CG1 3.7Å
28Q87.9Confident87.3Confident33 Ų3367.7 Ų67.715%0.15433%0.33CS..Hα-helixtrans-70.2-34.3-179.7-175.156.362.200113S6 D24 H25 E26 K32S6-Q28 PolarHBondContact O-NE2 2.98Å; D24-Q28 VanDerWaalsContact O-CB 3.26Å; D24-Q28 WeakPolarHBondContact O-CB 3.26Å; D24-Q28 PolarHBondContact O-N 3.09Å; D24-Q28 VanDerWaalsContact O-N 3.09Å; H25-Q28 PolarHBondContact O-N 3.19Å; E26-Q28 PolarHBondContact O-N 3.02Å; Q28-K32 WeakPolarHBondContact O-CG 3.2Å; Q28-K32 PolarHBondContact O-N 2.9Å
29E88.6Confident87.1Confident93 Ų9365.1 Ų65.144%0.43533%0.325SS..Hα-helixtrans-73.8-43.6174.3-71.5-60.7108.800111.7H25 E26 Y31 K32 G33H25-E29 WeakPolarHBondContact O-CG 3.3Å; H25-E29 PolarHBondContact O-N 2.8Å; E26-E29 PolarHBondContact O-N 2.9Å; E29-Y31 VanDerWaalsContact C-N 3.3Å; E29-Y31 PolarHBondContact O-N 3.15Å; E29-K32 PolarHBondContact O-N 2.98Å; E29-K32 IonicContact OE1-NZ 3.64Å; E29-K32 PolarHBondContact OE1-NZ 2.98Å; E29-G33 PolarHBondContact O-N 2.93Å
30W88.9Confident87Confident107 Ų10764.9 Ų64.941%0.40533%0.33SS..Hα-helixtrans-58.3-42.5172.9-86.1112.4000111.7F22 E26 K32 G33 F34 F82 F85 I86 L89F22-W30 AromaticContact CE1-NE1 3.92Å; E26-W30 WeakPolarHBondContact O-CB 3.29Å; E26-W30 VanDerWaalsContact O-CD1 3.28Å; E26-W30 PolarHBondContact O-N 3.38Å; W30-K32 PolarHBondContact O-N 3.12Å; W30-G33 PolarHBondContact O-N 3.42Å; W30-F34 WeakPolarHBondContact O-CB 3.4Å; W30-F34 PolarHBondContact O-N 2.82Å; W30-F82 HydrophobicContact CB-CE2 4.02Å; W30-F82 HydrophobicContact CB-CZ 4Å; W30-F85 AromaticContact CE3-CE1 3.89Å; W30-F85 HydrophobicContact CE3-CE1 3.89Å; W30-F85 HydrophobicContact CE3-CZ 4.39Å; W30-F85 HydrophobicContact CZ3-CE1 4.05Å; W30-F85 HydrophobicContact CZ3-CZ 4.08Å; W30-I86 HydrophobicContact CB-CD1 3.91Å; W30-I86 HydrophobicContact CD2-CD1 4.26Å; W30-I86 HydrophobicContact CG-CD1 3.75Å; W30-L89 HydrophobicContact CD2-CD2 4.14Å; W30-L89 HydrophobicContact CE3-CD2 4.28Å; W30-L89 HydrophobicContact CH2-CD2 3.68Å; W30-L89 HydrophobicContact CZ2-CD2 3.51Å; W30-L89 HydrophobicContact CZ3-CD2 4.06Å
31Y88.4Confident86.8Confident43 Ų4365.5 Ų65.517%0.16934%0.338CS..Hα-helixtrans-63.3-41.5178.1-173-121.8000112.7L8 L27 E29 F34 L35 F82L8-Y31 HydrophobicContact CD1-CG 4.25Å; L8-Y31 HydrophobicContact CD2-CD1 3.78Å; L8-Y31 HydrophobicContact CD2-CD2 3.55Å; L8-Y31 HydrophobicContact CD2-CE1 3.98Å; L8-Y31 HydrophobicContact CD2-CE2 3.77Å; L8-Y31 HydrophobicContact CD2-CG 3.53Å; L8-Y31 HydrophobicContact CG-CD1 3.62Å; L8-Y31 HydrophobicContact CG-CD2 4.17Å; L8-Y31 HydrophobicContact CG-CE1 4.15Å; L8-Y31 HydrophobicContact CG-CG 3.61Å; L27-Y31 VanDerWaalsContact O-CB 3.31Å; L27-Y31 WeakPolarHBondContact O-CB 3.34Å; L27-Y31 PolarHBondContact O-N 2.89Å; E29-Y31 VanDerWaalsContact C-N 3.3Å; E29-Y31 PolarHBondContact O-N 3.15Å; Y31-F34 PolarHBondContact O-N 2.86Å; Y31-L35 HydrophobicContact CD1-CD1 4.08Å; Y31-L35 HydrophobicContact CD2-CG 4.47Å; Y31-L35 HydrophobicContact CE1-CD1 3.57Å; Y31-L35 HydrophobicContact CE1-CG 4.4Å; Y31-L35 HydrophobicContact CE2-CD1 4.17Å; Y31-L35 HydrophobicContact CE2-CD2 4.43Å; Y31-L35 HydrophobicContact CE2-CG 4.16Å; Y31-L35 WeakPolarHBondContact O-CG 3.38Å; Y31-L35 PolarHBondContact O-N 3.35Å; Y31-F82 VanDerWaalsContact CA-CE2 3.41Å; Y31-F82 VanDerWaalsContact CA-CZ 3.48Å; Y31-F82 HydrophobicContact CD2-CB 4.07Å; Y31-F82 AromaticContact CD2-CD1 3.42Å; Y31-F82 HydrophobicContact CD2-CD1 3.42Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.42Å; Y31-F82 AromaticContact CD2-CD2 3.85Å; Y31-F82 HydrophobicContact CD2-CD2 3.85Å; Y31-F82 AromaticContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE2 4.13Å; Y31-F82 AromaticContact CD2-CG 3.47Å; Y31-F82 HydrophobicContact CD2-CG 3.47Å; Y31-F82 VanDerWaalsContact CD2-CG 3.47Å; Y31-F82 HydrophobicContact CD2-CZ 4.08Å; Y31-F82 HydrophobicContact CE2-CB 4.12Å; Y31-F82 HydrophobicContact CE2-CD1 4.04Å; Y31-F82 HydrophobicContact CE2-CG 4.02Å; Y31-F82 HydrophobicContact CG-CD1 4.29Å; Y31-F82 HydrophobicContact CG-CE1 4.17Å; Y31-F82 HydrophobicContact CG-CZ 4.34Å
32K87Confident87Confident91 Ų9161.6 Ų61.640%0.39632%0.323SS..Hα-helixtrans-63.7-42.9175-72.9173.2-169.1165.60111.7Q28 E29 W30 K36Q28-K32 WeakPolarHBondContact O-CG 3.2Å; Q28-K32 PolarHBondContact O-N 2.9Å; E29-K32 PolarHBondContact O-N 2.98Å; E29-K32 IonicContact OE1-NZ 3.64Å; E29-K32 PolarHBondContact OE1-NZ 2.98Å; W30-K32 PolarHBondContact O-N 3.12Å; K32-K36 WeakPolarHBondContact O-CB 3.44Å; K32-K36 PolarHBondContact O-N 3.43Å; K32-K36 VanDerWaalsContact O-N 3.09Å
33G85.9Confident87.1Confident28 Ų2861.2 Ų61.229%0.28932%0.322SS..Hα-helixtrans-61.3-49175.900000111.4E29 W30 L35 K36 D37E29-G33 PolarHBondContact O-N 2.93Å; W30-G33 PolarHBondContact O-N 3.42Å; G33-L35 PolarHBondContact O-N 2.86Å; G33-K36 WeakPolarHBondContact O-CB 3.27Å; G33-K36 PolarHBondContact O-N 3.14Å; G33-D37 PolarHBondContact O-N 3.41Å
34F85.4Confident87.1Confident11 Ų1161.3 Ų61.35%0.04832%0.317CS..Hα-helixtrans-58.2-45.7178.6-171-91.2000112.3W30 Y31 K36 D37 C38 L43 F82 F85W30-F34 WeakPolarHBondContact O-CB 3.4Å; W30-F34 PolarHBondContact O-N 2.82Å; Y31-F34 PolarHBondContact O-N 2.86Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 2.88Å; F34-D37 PolarHBondContact O-N 3.33Å; F34-C38 HydrophobicContact CD1-CB 4.48Å; F34-C38 HydrophobicContact CE1-CB 4.24Å; F34-C38 HydrophobicContact CZ-CB 4.45Å; F34-C38 WeakPolarHBondContact O-CA 3.36Å; F34-C38 WeakPolarHBondContact O-CB 3.46Å; F34-C38 PolarHBondContact O-N 3.2Å; F34-L43 HydrophobicContact CE2-CB 4.37Å; F34-L43 HydrophobicContact CE2-CD1 4.26Å; F34-L43 HydrophobicContact CZ-CB 4.11Å; F34-F82 HydrophobicContact CB-CD2 3.68Å; F34-F82 HydrophobicContact CB-CE2 4.01Å; F34-F82 HydrophobicContact CD1-CB 4.07Å; F34-F82 AromaticContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CG 4.49Å; F34-F82 HydrophobicContact CD2-CD2 4.15Å; F34-F82 HydrophobicContact CE1-CB 4.14Å; F34-F82 AromaticContact CG-CD2 3.68Å; F34-F82 HydrophobicContact CG-CD2 3.68Å; F34-F82 HydrophobicContact CG-CE2 4.45Å; F34-F85 HydrophobicContact CD2-CB 4.47Å; F34-F85 AromaticContact CD2-CD1 3.86Å; F34-F85 HydrophobicContact CD2-CD1 3.86Å; F34-F85 HydrophobicContact CD2-CE1 4.27Å; F34-F85 HydrophobicContact CD2-CG 4.07Å; F34-F85 HydrophobicContact CE2-CB 3.98Å; F34-F85 HydrophobicContact CE2-CD1 4.19Å; F34-F85 HydrophobicContact CE2-CD2 4.38Å; F34-F85 AromaticContact CE2-CG 3.92Å; F34-F85 HydrophobicContact CE2-CG 3.92Å
35L86.9Confident87.1Confident24 Ų2460.1 Ų60.113%0.12631%0.312CS..Hα-helixtrans-68.9-25.2176.5-71.5-179.4000113.9Y31 G33 C38 P39Y31-L35 HydrophobicContact CD1-CD1 4.08Å; Y31-L35 HydrophobicContact CD2-CG 4.47Å; Y31-L35 HydrophobicContact CE1-CD1 3.57Å; Y31-L35 HydrophobicContact CE1-CG 4.4Å; Y31-L35 HydrophobicContact CE2-CD1 4.17Å; Y31-L35 HydrophobicContact CE2-CD2 4.43Å; Y31-L35 HydrophobicContact CE2-CG 4.16Å; Y31-L35 WeakPolarHBondContact O-CG 3.38Å; Y31-L35 PolarHBondContact O-N 3.35Å; G33-L35 PolarHBondContact O-N 2.86Å; L35-C38 CarbonylContact O-C 3.51Å; L35-P39 WeakPolarHBondContact O-CA 3.33Å
36K85.3Confident87Confident171 Ų17158.3 Ų58.374%0.74330%0.304SS*.Hα-helixtrans-72-41.5175.9-176.5-171173.9-165.30110.8K32 G33 F34K32-K36 WeakPolarHBondContact O-CB 3.44Å; K32-K36 PolarHBondContact O-N 3.43Å; K32-K36 VanDerWaalsContact O-N 3.09Å; G33-K36 WeakPolarHBondContact O-CB 3.27Å; G33-K36 PolarHBondContact O-N 3.14Å; F34-K36 VanDerWaalsContact C-N 3.29Å; F34-K36 PolarHBondContact O-N 2.88Å
37D79.9Confident86.9Confident124 Ų12458.5 Ų58.566%0.66331%0.305SS*.Hα-helixtrans-86.7-30.4-177.1-61.8-23.3000111.9G33 F34G33-D37 PolarHBondContact O-N 3.41Å; F34-D37 PolarHBondContact O-N 3.33Å
38C83.6Confident86.8Confident6 Ų659.1 Ų59.14%0.04131%0.308CS..  trans-124.481176.4-61.10000110.7F34 L35 S40 G41F34-C38 HydrophobicContact CD1-CB 4.48Å; F34-C38 HydrophobicContact CE1-CB 4.24Å; F34-C38 HydrophobicContact CZ-CB 4.45Å; F34-C38 WeakPolarHBondContact O-CA 3.36Å; F34-C38 WeakPolarHBondContact O-CB 3.46Å; F34-C38 PolarHBondContact O-N 3.2Å; L35-C38 CarbonylContact O-C 3.51Å; C38-S40 PolarHBondContact O-N 3.06Å; C38-S40 VanDerWaalsContact O-N 3.12Å; C38-G41 PolarHBondContact O-N 2.78Å
39P83.7Confident86.6Confident83 Ų8359.3 Ų59.354%0.53931%0.308SS..THydrogen-bonded Turntrans-62.8-19-178.8-22.533.6000114.6Q4 L35 G41Q4-P39 PolarHBondContact NE2-O 3.15Å; Q4-P39 PolarHBondContact OE1-O 3.46Å; L35-P39 WeakPolarHBondContact O-CA 3.33Å; P39-G41 PolarHBondContact O-N 3.37Å
40S85.5Confident86.3Confident73 Ų7361.6 Ų61.651%0.5132%0.317SS..THydrogen-bonded Turntrans-63.3-25.2170.338.90000112.8C38 T42C38-S40 PolarHBondContact O-N 3.06Å; C38-S40 VanDerWaalsContact O-N 3.12Å; S40-T42 PolarHBondContact OG-O 2.88Å
41G85.6Confident85.8Confident22 Ų2259.8 Ų59.823%0.22732%0.315CS..SBendtrans79.33.8-170.700000114C38 P39C38-G41 PolarHBondContact O-N 2.78Å; P39-G41 PolarHBondContact O-N 3.37Å
42T89.6Confident85.2Confident47 Ų4760 Ų6029%0.28832%0.315SS..EExtended strand (participates in β ladder)trans-141.2158174.559.60000109.5S40 I80 D81S40-T42 PolarHBondContact OG-O 2.88Å; T42-I80 CarbonylContact C-O 3.58Å; T42-I80 WeakPolarHBondContact CA-O 3.24Å; T42-D81 HydrophobicContact CG2-CB 4.39Å
43L89.6Confident84.6Confident5 Ų557.9 Ų57.93%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-123.4116.6-176.1-173158.3000108.5F34 E47 F48 I51 F69 I80F34-L43 HydrophobicContact CE2-CB 4.37Å; F34-L43 HydrophobicContact CE2-CD1 4.26Å; F34-L43 HydrophobicContact CZ-CB 4.11Å; L43-E47 WeakPolarHBondContact CA-OE2 3.4Å; L43-E47 HydrophobicContact CD2-CB 4.42Å; L43-E47 HydrophobicContact CG-CB 4.16Å; L43-F48 HydrophobicContact CD2-CB 3.37Å; L43-F48 HydrophobicContact CD2-CD2 3.61Å; L43-F48 HydrophobicContact CD2-CG 3.96Å; L43-I51 HydrophobicContact CD1-CD1 3.63Å; L43-I51 HydrophobicContact CG-CD1 4.49Å; L43-F69 HydrophobicContact CD2-CE2 4.39Å; L43-F69 WeakPolarHBondContact O-CE2 3.4Å; L43-I80 HydrophobicContact CB-CB 4.42Å; L43-I80 HydrophobicContact CD2-CD1 4.44Å; L43-I80 PolarHBondContact N-O 3.42Å; L43-I80 PolarHBondContact O-N 3.38Å
44N90.8Very high83.9Confident58 Ų5862.9 Ų62.931%0.3134%0.335SS..EExtended strand (participates in β ladder)trans-85.6166.9178.764.657.6000111.9E46 E47 F48N44-E46 PolarHBondContact O-N 3.13Å; N44-E46 VanDerWaalsContact O-N 3.15Å; N44-E46 WeakPolarHBondContact OD1-CB 3.45Å; N44-E46 PolarHBondContact OD1-N 3.48Å; N44-E46 VanDerWaalsContact OD1-N 3.1Å; N44-E47 PolarHBondContact N-OE2 3.02Å; N44-E47 PolarHBondContact ND2-OE1 3.45Å; N44-E47 PolarHBondContact ND2-OE2 3.4Å; N44-E47 WeakPolarHBondContact O-CB 3.32Å; N44-E47 PolarHBondContact O-N 2.84Å; N44-E47 VanDerWaalsContact O-N 3.1Å; N44-E47 WeakPolarHBondContact OD1-CG 3.49Å; N44-E47 PolarHBondContact OD1-N 3.5Å; N44-F48 PolarHBondContact O-N 3.01Å
45V88.1Confident83Confident46 Ų4669.4 Ų69.428%0.27936%0.364SS..Hα-helixtrans-55.2-35.7-177.467.40000113.6F48 K49 E66 F69V45-F48 PolarHBondContact O-N 2.84Å; V45-K49 HydrophobicContact CG2-CD 4.45Å; V45-K49 WeakPolarHBondContact O-CB 3.36Å; V45-K49 VanDerWaalsContact O-CG 3.28Å; V45-K49 WeakPolarHBondContact O-CG 3.2Å; V45-K49 PolarHBondContact O-N 2.91Å; V45-E66 HydrophobicContact CG2-CG 4.12Å; V45-F69 HydrophobicContact CB-CD1 4.32Å; V45-F69 HydrophobicContact CB-CD2 4.22Å; V45-F69 HydrophobicContact CB-CE1 4.31Å; V45-F69 HydrophobicContact CB-CE2 4.2Å; V45-F69 HydrophobicContact CB-CG 4.28Å; V45-F69 HydrophobicContact CB-CZ 4.24Å; V45-F69 HydrophobicContact CG2-CD1 4.4Å; V45-F69 HydrophobicContact CG2-CD2 4.44Å; V45-F69 HydrophobicContact CG2-CG 4.19Å
46E87.5Confident81.9Confident101 Ų10170.4 Ų70.447%0.47237%0.367SS..Hα-helixtrans-74.2-35.4-179-64.5-6211200112N44 K49 K50N44-E46 PolarHBondContact O-N 3.13Å; N44-E46 VanDerWaalsContact O-N 3.15Å; N44-E46 WeakPolarHBondContact OD1-CB 3.45Å; N44-E46 PolarHBondContact OD1-N 3.48Å; N44-E46 VanDerWaalsContact OD1-N 3.1Å; E46-K49 IonicContact OE1-NZ 3.77Å; E46-K49 PolarHBondContact OE1-NZ 3.4Å; E46-K50 WeakPolarHBondContact O-CG 3.29Å; E46-K50 PolarHBondContact O-N 3.26Å
47E87.4Confident80.9Confident63 Ų6366.3 Ų66.329%0.29436%0.358SS..Hα-helixtrans-67.5-41.8170.9-70.6163.8168.200111L43 N44 K50 I51L43-E47 WeakPolarHBondContact CA-OE2 3.4Å; L43-E47 HydrophobicContact CD2-CB 4.42Å; L43-E47 HydrophobicContact CG-CB 4.16Å; N44-E47 PolarHBondContact N-OE2 3.02Å; N44-E47 PolarHBondContact ND2-OE1 3.45Å; N44-E47 PolarHBondContact ND2-OE2 3.4Å; N44-E47 WeakPolarHBondContact O-CB 3.32Å; N44-E47 PolarHBondContact O-N 2.84Å; N44-E47 VanDerWaalsContact O-N 3.1Å; N44-E47 WeakPolarHBondContact OD1-CG 3.49Å; N44-E47 PolarHBondContact OD1-N 3.5Å; E47-K50 PolarHBondContact O-N 3.03Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 2.99Å; E47-I51 VanDerWaalsContact O-N 3.14Å
48F86.3Confident80Confident13 Ų1369.1 Ų69.16%0.05736%0.361CS..Hα-helixtrans-59.3-50.3176.4-166.3-102.8000111.7L43 N44 V45 K50 I51 Y52 A65 V68 F69 F72 I80L43-F48 HydrophobicContact CD2-CB 3.37Å; L43-F48 HydrophobicContact CD2-CD2 3.61Å; L43-F48 HydrophobicContact CD2-CG 3.96Å; N44-F48 PolarHBondContact O-N 3.01Å; V45-F48 PolarHBondContact O-N 2.84Å; F48-K50 VanDerWaalsContact C-N 3.27Å; F48-K50 PolarHBondContact O-N 3.45Å; F48-I51 PolarHBondContact O-N 2.99Å; F48-I51 VanDerWaalsContact O-N 3.11Å; F48-Y52 HydrophobicContact CD1-CD2 4.27Å; F48-Y52 AromaticContact CE1-CD2 3.45Å; F48-Y52 HydrophobicContact CE1-CD2 3.45Å; F48-Y52 VanDerWaalsContact CE1-CD2 3.45Å; F48-Y52 AromaticContact CE1-CE2 3.87Å; F48-Y52 HydrophobicContact CE1-CE2 3.87Å; F48-Y52 HydrophobicContact CE1-CG 4.18Å; F48-Y52 HydrophobicContact CE2-CD2 4.47Å; F48-Y52 AromaticContact CZ-CD2 3.57Å; F48-Y52 HydrophobicContact CZ-CD2 3.57Å; F48-Y52 AromaticContact CZ-CE2 3.77Å; F48-Y52 HydrophobicContact CZ-CE2 3.77Å; F48-Y52 WeakPolarHBondContact O-CB 3.34Å; F48-Y52 PolarHBondContact O-N 2.71Å; F48-A65 HydrophobicContact CD1-CB 4.12Å; F48-A65 WeakPolarHBondContact CD1-O 3.5Å; F48-A65 HydrophobicContact CE1-CB 4.24Å; F48-A65 WeakPolarHBondContact CE1-O 3.28Å; F48-V68 HydrophobicContact CE1-CB 4.03Å; F48-V68 HydrophobicContact CE1-CG1 3.88Å; F48-V68 HydrophobicContact CZ-CB 4.29Å; F48-V68 HydrophobicContact CZ-CG1 3.62Å; F48-F69 HydrophobicContact CB-CD2 3.67Å; F48-F69 HydrophobicContact CB-CE2 4.26Å; F48-F69 HydrophobicContact CD1-CB 4.02Å; F48-F69 HydrophobicContact CD1-CD2 4.23Å; F48-F69 HydrophobicContact CD2-CD2 4.37Å; F48-F69 HydrophobicContact CE1-CB 4.39Å; F48-F69 HydrophobicContact CG-CB 4.47Å; F48-F69 AromaticContact CG-CD2 3.84Å; F48-F69 HydrophobicContact CG-CD2 3.84Å; F48-F72 HydrophobicContact CE2-CD2 4.42Å; F48-F72 HydrophobicContact CE2-CE2 4.41Å; F48-I80 HydrophobicContact CD2-CD1 4Å; F48-I80 HydrophobicContact CE2-CD1 4.25Å
49K84.3Confident79Confident36 Ų3670 Ų7016%0.15737%0.371CS..Hα-helixtrans-55.4-41.1177.7-76.6169.3179.51710112.2V45 E46 Y52 A53 A65 E66V45-K49 HydrophobicContact CG2-CD 4.45Å; V45-K49 WeakPolarHBondContact O-CB 3.36Å; V45-K49 VanDerWaalsContact O-CG 3.28Å; V45-K49 WeakPolarHBondContact O-CG 3.2Å; V45-K49 PolarHBondContact O-N 2.91Å; E46-K49 IonicContact OE1-NZ 3.77Å; E46-K49 PolarHBondContact OE1-NZ 3.4Å; K49-Y52 PolarHBondContact O-N 2.82Å; K49-A53 VanDerWaalsContact O-CB 3.27Å; K49-A53 WeakPolarHBondContact O-CB 3.45Å; K49-A53 PolarHBondContact O-N 2.86Å; K49-A65 HydrophobicContact CG-CB 4Å; K49-E66 WeakPolarHBondContact CE-OE1 3.26Å; K49-E66 IonicContact NZ-OE1 3.18Å; K49-E66 PolarHBondContact NZ-OE1 3.39Å
50K82.5Confident78.5Confident142 Ų14270.1 Ų70.162%0.61737%0.367SS*.Hα-helixtrans-63.6-43.3177.6-72168.8-173.2170.40112E46 E47 F48 N54E46-K50 WeakPolarHBondContact O-CG 3.29Å; E46-K50 PolarHBondContact O-N 3.26Å; E47-K50 PolarHBondContact O-N 3.03Å; F48-K50 VanDerWaalsContact C-N 3.27Å; F48-K50 PolarHBondContact O-N 3.45Å; K50-N54 PolarHBondContact O-N 3.05Å
51I79.1Confident78Confident69 Ų6967 Ų6735%0.35435%0.345SS..Hα-helixtrans-64.3-47176.3-66.6161.4000109.6L43 E47 F48 A53 N54 F55L43-I51 HydrophobicContact CD1-CD1 3.63Å; L43-I51 HydrophobicContact CG-CD1 4.49Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 2.99Å; E47-I51 VanDerWaalsContact O-N 3.14Å; F48-I51 PolarHBondContact O-N 2.99Å; F48-I51 VanDerWaalsContact O-N 3.11Å; I51-A53 VanDerWaalsContact C-N 3.34Å; I51-A53 PolarHBondContact O-N 3.25Å; I51-N54 WeakPolarHBondContact O-CB 3.31Å; I51-N54 PolarHBondContact O-N 3.47Å; I51-N54 VanDerWaalsContact O-N 3.17Å; I51-F55 HydrophobicContact CG2-CD2 4.43Å; I51-F55 HydrophobicContact CG2-CE2 3.91Å; I51-F55 VanDerWaalsContact O-CD2 3.23Å; I51-F55 WeakPolarHBondContact O-CD2 3.44Å
52Y74.6Confident77.8Confident46 Ų4668.5 Ų68.518%0.1835%0.353CS..Hα-helixtrans-62.2-39-179.5-135.4-95.1000112.6F48 K49 N54 F55 F56 A61 F64 A65 V68F48-Y52 HydrophobicContact CD1-CD2 4.27Å; F48-Y52 AromaticContact CE1-CD2 3.45Å; F48-Y52 HydrophobicContact CE1-CD2 3.45Å; F48-Y52 VanDerWaalsContact CE1-CD2 3.45Å; F48-Y52 AromaticContact CE1-CE2 3.87Å; F48-Y52 HydrophobicContact CE1-CE2 3.87Å; F48-Y52 HydrophobicContact CE1-CG 4.18Å; F48-Y52 HydrophobicContact CE2-CD2 4.47Å; F48-Y52 AromaticContact CZ-CD2 3.57Å; F48-Y52 HydrophobicContact CZ-CD2 3.57Å; F48-Y52 AromaticContact CZ-CE2 3.77Å; F48-Y52 HydrophobicContact CZ-CE2 3.77Å; F48-Y52 WeakPolarHBondContact O-CB 3.34Å; F48-Y52 PolarHBondContact O-N 2.71Å; K49-Y52 PolarHBondContact O-N 2.82Å; Y52-N54 VanDerWaalsContact C-N 3.27Å; Y52-N54 PolarHBondContact O-N 2.85Å; Y52-F55 PolarHBondContact O-N 2.94Å; Y52-F55 VanDerWaalsContact O-N 3.09Å; Y52-F56 AromaticContact CD1-CD2 3.85Å; Y52-F56 HydrophobicContact CD1-CD2 3.85Å; Y52-F56 HydrophobicContact CD1-CE2 4.09Å; Y52-F56 AromaticContact CE1-CD2 3.79Å; Y52-F56 HydrophobicContact CE1-CD2 3.79Å; Y52-F56 AromaticContact CE1-CE2 3.58Å; Y52-F56 HydrophobicContact CE1-CE2 3.58Å; Y52-F56 PolarHBondContact O-N 2.94Å; Y52-A61 HydrophobicContact CD1-CB 4.28Å; Y52-F64 AromaticContact CE1-CD1 3.87Å; Y52-F64 HydrophobicContact CE1-CD1 3.87Å; Y52-F64 HydrophobicContact CE1-CE1 4.25Å; Y52-A65 HydrophobicContact CD1-CB 4.03Å; Y52-A65 HydrophobicContact CG-CB 3.94Å; Y52-V68 HydrophobicContact CE2-CG1 4.1Å
53A74.1Confident77.4Confident48 Ų4871 Ų7140%0.39736%0.36SS..Hα-helixtrans-62.7-30.8176.700000113.1K49 I51 F55 F56 P57K49-A53 VanDerWaalsContact O-CB 3.27Å; K49-A53 WeakPolarHBondContact O-CB 3.45Å; K49-A53 PolarHBondContact O-N 2.86Å; I51-A53 VanDerWaalsContact C-N 3.34Å; I51-A53 PolarHBondContact O-N 3.25Å; A53-F55 VanDerWaalsContact C-N 3.26Å; A53-F55 PolarHBondContact O-N 3.39Å; A53-F56 CarbonylContact O-C 3.28Å; A53-F56 VanDerWaalsContact O-C 3.27Å; A53-F56 PolarHBondContact O-N 2.99Å; A53-P57 WeakPolarHBondContact O-CA 3.31Å
54N71.9Confident77.1Confident132 Ų13271.1 Ų71.171%0.70636%0.36SS*.Hα-helixtrans-66.9-28.2175.2-68-26.3000112.5K50 I51 Y52K50-N54 PolarHBondContact O-N 3.05Å; I51-N54 WeakPolarHBondContact O-CB 3.31Å; I51-N54 PolarHBondContact O-N 3.47Å; I51-N54 VanDerWaalsContact O-N 3.17Å; Y52-N54 VanDerWaalsContact C-N 3.27Å; Y52-N54 PolarHBondContact O-N 2.85Å
55F65.9Low76.8Confident149 Ų14968.4 Ų68.465%0.65435%0.346SS*.Hα-helixtrans-83.2-27176.7-69.3-77.9000112.9I51 Y52 A53 P57I51-F55 HydrophobicContact CG2-CD2 4.43Å; I51-F55 HydrophobicContact CG2-CE2 3.91Å; I51-F55 VanDerWaalsContact O-CD2 3.23Å; I51-F55 WeakPolarHBondContact O-CD2 3.44Å; Y52-F55 PolarHBondContact O-N 2.94Å; Y52-F55 VanDerWaalsContact O-N 3.09Å; A53-F55 VanDerWaalsContact C-N 3.26Å; A53-F55 PolarHBondContact O-N 3.39Å; F55-P57 WeakPolarHBondContact O-CD 3.32Å
56F64.8Low76.8Confident44 Ų4470 Ų7019%0.19335%0.35CS..  trans-12464.4179.9-62-84.1000111.4Y52 A53 Y58 G59 A61 M131 P187Y52-F56 AromaticContact CD1-CD2 3.85Å; Y52-F56 HydrophobicContact CD1-CD2 3.85Å; Y52-F56 HydrophobicContact CD1-CE2 4.09Å; Y52-F56 AromaticContact CE1-CD2 3.79Å; Y52-F56 HydrophobicContact CE1-CD2 3.79Å; Y52-F56 AromaticContact CE1-CE2 3.58Å; Y52-F56 HydrophobicContact CE1-CE2 3.58Å; Y52-F56 PolarHBondContact O-N 2.94Å; A53-F56 CarbonylContact O-C 3.28Å; A53-F56 VanDerWaalsContact O-C 3.27Å; A53-F56 PolarHBondContact O-N 2.99Å; F56-Y58 PolarHBondContact O-N 3.45Å; F56-G59 PolarHBondContact O-N 2.89Å; F56-A61 HydrophobicContact CB-CB 4.11Å; F56-M131 HydrophobicContact CD1-SD 4.24Å; F56-M131 HydrophobicContact CE1-CE 4.41Å; F56-M131 HydrophobicContact CE1-SD 4.48Å; F56-M131 HydrophobicContact CG-SD 4.25Å; F56-P187 HydrophobicContact CE1-CB 4.23Å
57P63.3Low76.7Confident86 Ų8665.9 Ų65.956%0.55833%0.331SS*.THydrogen-bonded Turntrans-69.4-10.2-170.227-35000114.4A53 F55A53-P57 WeakPolarHBondContact O-CA 3.31Å; F55-P57 WeakPolarHBondContact O-CD 3.32Å
58Y61Low76.6Confident182 Ų18263 Ų6371%0.71432%0.317SS*.THydrogen-bonded Turntrans-104.7-3.4-172.5-57.9-68.4000114.2F56 S134F56-Y58 PolarHBondContact O-N 3.45Å; Y58-S134 VanDerWaalsContact O-CB 3.27Å; Y58-S134 WeakPolarHBondContact O-CB 3.45Å; Y58-S134 PolarHBondContact O-OG 3.38Å
59G64.3Low76.7Confident26 Ų2663 Ų6327%0.26832%0.317SS..SBendtrans-133.7165.5-176.200000114.2F56 A61 M131F56-G59 PolarHBondContact O-N 2.89Å; G59-A61 VanDerWaalsContact C-N 3.33Å; G59-A61 PolarHBondContact O-N 2.86Å; G59-A61 VanDerWaalsContact O-N 3.08Å; G59-M131 WeakPolarHBondContact CA-O 3.5Å
60D73.1Confident76.9Confident85 Ų8565.3 Ų65.346%0.45533%0.325SS..  trans-80.483.9169-176.610.4000109.6S62D60-S62 PolarHBondContact O-N 2.75Å; D60-S62 WeakPolarHBondContact OD1-CB 3.15Å; D60-S62 PolarHBondContact OD1-N 2.92Å; D60-S62 PolarHBondContact OD1-OG 2.82Å
61A73.9Confident77.1Confident6 Ų659.2 Ų59.25%0.0530%0.3CS..  trans-78.3-1.8177.600000112.9Y52 F56 G59 K63 F64 A65 M131Y52-A61 HydrophobicContact CD1-CB 4.28Å; F56-A61 HydrophobicContact CB-CB 4.11Å; G59-A61 VanDerWaalsContact C-N 3.33Å; G59-A61 PolarHBondContact O-N 2.86Å; G59-A61 VanDerWaalsContact O-N 3.08Å; A61-K63 PolarHBondContact O-N 3.43Å; A61-F64 PolarHBondContact O-N 3.39Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 2.67Å; A61-M131 HydrophobicContact CB-CG 4.11Å; A61-M131 HydrophobicContact CB-SD 4.12Å
62S81.1Confident77.5Confident55 Ų5556.9 Ų56.939%0.38529%0.287SS..Hα-helixtrans-60.3-47.6-168.7-45.90000112.4D60 A65 E66D60-S62 PolarHBondContact O-N 2.75Å; D60-S62 WeakPolarHBondContact OD1-CB 3.15Å; D60-S62 PolarHBondContact OD1-N 2.92Å; D60-S62 PolarHBondContact OD1-OG 2.82Å; S62-A65 PolarHBondContact O-N 3.11Å; S62-E66 WeakPolarHBondContact O-CG 3.46Å; S62-E66 PolarHBondContact O-N 2.8Å; S62-E66 VanDerWaalsContact O-N 3.14Å
63K82.8Confident78.2Confident99 Ų9955.6 Ų55.643%0.4328%0.284SS..Hα-helixtrans-67-41.6177.6-81.2-156.3167.5-146.90112.7A61 A65 E66 H67 A127A61-K63 PolarHBondContact O-N 3.43Å; K63-A65 VanDerWaalsContact C-N 3.31Å; K63-A65 PolarHBondContact O-N 3.5Å; K63-E66 WeakPolarHBondContact O-CB 3.39Å; K63-E66 PolarHBondContact O-N 3.12Å; K63-H67 PolarHBondContact O-CD2 3.28Å; K63-H67 PolarHBondContact O-N 2.65Å; K63-A127 HydrophobicContact CB-CB 4.17Å
64F82.2Confident78.8Confident7 Ų758.4 Ų58.43%0.03130%0.296CS..Hα-helixtrans-66-39.2178.8-170.8-105.4000111Y52 A61 E66 H67 V68 M107 A127 I128 M131 C185Y52-F64 AromaticContact CE1-CD1 3.87Å; Y52-F64 HydrophobicContact CE1-CD1 3.87Å; Y52-F64 HydrophobicContact CE1-CE1 4.25Å; A61-F64 PolarHBondContact O-N 3.39Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 2.9Å; F64-H67 PolarHBondContact O-N 3.46Å; F64-V68 HydrophobicContact CD1-CG2 3.94Å; F64-V68 HydrophobicContact CE1-CG2 3.65Å; F64-V68 HydrophobicContact CZ-CG2 4.08Å; F64-V68 WeakPolarHBondContact O-CG2 3.39Å; F64-V68 PolarHBondContact O-N 2.9Å; F64-M107 HydrophobicContact CE2-SD 3.83Å; F64-M107 HydrophobicContact CZ-CE 4.43Å; F64-M107 HydrophobicContact CZ-SD 3.92Å; F64-A127 HydrophobicContact CB-CB 4.47Å; F64-I128 HydrophobicContact CD2-CG1 3.8Å; F64-I128 HydrophobicContact CE2-CD1 4.1Å; F64-I128 HydrophobicContact CE2-CG1 3.62Å; F64-M131 HydrophobicContact CB-SD 4.09Å; F64-M131 HydrophobicContact CD1-CE 4.04Å; F64-M131 HydrophobicContact CD1-SD 3.71Å; F64-M131 HydrophobicContact CE1-CE 4.26Å; F64-M131 HydrophobicContact CE1-SD 4.44Å; F64-M131 HydrophobicContact CG-CE 4.37Å; F64-M131 HydrophobicContact CG-SD 4.05Å; F64-C185 HydrophobicContact CZ-CB 4.28Å
65A84.8Confident79.5Confident1 Ų156.3 Ų56.31%0.00829%0.285CS..Hα-helixtrans-61.6-34.9174.200000112.4F48 K49 Y52 A61 S62 K63 F69F48-A65 HydrophobicContact CD1-CB 4.12Å; F48-A65 WeakPolarHBondContact CD1-O 3.5Å; F48-A65 HydrophobicContact CE1-CB 4.24Å; F48-A65 WeakPolarHBondContact CE1-O 3.28Å; K49-A65 HydrophobicContact CG-CB 4Å; Y52-A65 HydrophobicContact CD1-CB 4.03Å; Y52-A65 HydrophobicContact CG-CB 3.94Å; A61-A65 VanDerWaalsContact O-CB 3.26Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 2.67Å; S62-A65 PolarHBondContact O-N 3.11Å; K63-A65 VanDerWaalsContact C-N 3.31Å; K63-A65 PolarHBondContact O-N 3.5Å; A65-F69 WeakPolarHBondContact O-CB 3.41Å; A65-F69 PolarHBondContact O-N 3.24Å
66E87.4Confident80.6Confident80 Ų8052.1 Ų52.137%0.37428%0.284SS..Hα-helixtrans-63.6-43.5172.7-71.4171.9172.400112.1V45 K49 S62 K63 F64 F69 R70V45-E66 HydrophobicContact CG2-CG 4.12Å; K49-E66 WeakPolarHBondContact CE-OE1 3.26Å; K49-E66 IonicContact NZ-OE1 3.18Å; K49-E66 PolarHBondContact NZ-OE1 3.39Å; S62-E66 WeakPolarHBondContact O-CG 3.46Å; S62-E66 PolarHBondContact O-N 2.8Å; S62-E66 VanDerWaalsContact O-N 3.14Å; K63-E66 WeakPolarHBondContact O-CB 3.39Å; K63-E66 PolarHBondContact O-N 3.12Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 2.9Å; E66-F69 WeakPolarHBondContact O-CB 3.21Å; E66-F69 PolarHBondContact O-N 3.43Å; E66-R70 PolarHBondContact O-N 3.23Å
67H86.4Confident81.9Confident14 Ų1454.3 Ų54.37%0.06530%0.297CS..Hα-helixtrans-66.1-42.4176.9-62.7-50.3000112K63 F64 F69 R70 T71 M107 E123 I124K63-H67 PolarHBondContact O-CD2 3.28Å; K63-H67 PolarHBondContact O-N 2.65Å; F64-H67 PolarHBondContact O-N 3.46Å; H67-F69 VanDerWaalsContact C-N 3.34Å; H67-R70 PolarHBondContact O-N 3Å; H67-T71 PolarHBondContact O-N 3.4Å; H67-M107 HydrophobicContact CB-CG 4.29Å; H67-E123 IonicContact CE1-OE1 2.86Å; H67-E123 PolarHBondContact CE1-OE1 3.11Å; H67-E123 VanDerWaalsContact CE1-OE1 3.28Å; H67-E123 IonicContact NE2-OE1 3.36Å; H67-I124 HydrophobicContact CB-CD1 3.83Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.48Å
68V85.3Confident83.2Confident2 Ų252 Ų521%0.01229%0.289CS..Hα-helixtrans-62.4-44.3174.3177.30000110.3F48 Y52 F64 R70 T71 F72 W103 M107F48-V68 HydrophobicContact CE1-CB 4.03Å; F48-V68 HydrophobicContact CE1-CG1 3.88Å; F48-V68 HydrophobicContact CZ-CB 4.29Å; F48-V68 HydrophobicContact CZ-CG1 3.62Å; Y52-V68 HydrophobicContact CE2-CG1 4.1Å; F64-V68 HydrophobicContact CD1-CG2 3.94Å; F64-V68 HydrophobicContact CE1-CG2 3.65Å; F64-V68 HydrophobicContact CZ-CG2 4.08Å; F64-V68 WeakPolarHBondContact O-CG2 3.39Å; F64-V68 PolarHBondContact O-N 2.9Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 2.94Å; V68-T71 PolarHBondContact O-N 3.35Å; V68-T71 VanDerWaalsContact O-N 3.07Å; V68-T71 PolarHBondContact O-OG1 2.87Å; V68-F72 HydrophobicContact CG1-CD1 3.97Å; V68-F72 HydrophobicContact CG1-CE1 3.64Å; V68-F72 HydrophobicContact CG1-CZ 4.27Å; V68-F72 VanDerWaalsContact O-CD1 3.28Å; V68-F72 WeakPolarHBondContact O-CD1 3.44Å; V68-F72 PolarHBondContact O-N 3.48Å; V68-W103 HydrophobicContact CG1-CH2 4.47Å; V68-W103 HydrophobicContact CG1-CZ2 4.35Å; V68-M107 HydrophobicContact CG2-CE 3.73Å; V68-M107 HydrophobicContact CG2-SD 4.38Å
69F88.6Confident84.7Confident13 Ų1345 Ų456%0.05727%0.265CS..Hα-helixtrans-55.3-47.9177.4-177.7-84.7000111.5L43 V45 F48 A65 E66 H67 T71 F72 D73 G78 I80L43-F69 HydrophobicContact CD2-CE2 4.39Å; L43-F69 WeakPolarHBondContact O-CE2 3.4Å; V45-F69 HydrophobicContact CB-CD1 4.32Å; V45-F69 HydrophobicContact CB-CD2 4.22Å; V45-F69 HydrophobicContact CB-CE1 4.31Å; V45-F69 HydrophobicContact CB-CE2 4.2Å; V45-F69 HydrophobicContact CB-CG 4.28Å; V45-F69 HydrophobicContact CB-CZ 4.24Å; V45-F69 HydrophobicContact CG2-CD1 4.4Å; V45-F69 HydrophobicContact CG2-CD2 4.44Å; V45-F69 HydrophobicContact CG2-CG 4.19Å; F48-F69 HydrophobicContact CB-CD2 3.67Å; F48-F69 HydrophobicContact CB-CE2 4.26Å; F48-F69 HydrophobicContact CD1-CB 4.02Å; F48-F69 HydrophobicContact CD1-CD2 4.23Å; F48-F69 HydrophobicContact CD2-CD2 4.37Å; F48-F69 HydrophobicContact CE1-CB 4.39Å; F48-F69 HydrophobicContact CG-CB 4.47Å; F48-F69 AromaticContact CG-CD2 3.84Å; F48-F69 HydrophobicContact CG-CD2 3.84Å; A65-F69 WeakPolarHBondContact O-CB 3.41Å; A65-F69 PolarHBondContact O-N 3.24Å; E66-F69 WeakPolarHBondContact O-CB 3.21Å; E66-F69 PolarHBondContact O-N 3.43Å; H67-F69 VanDerWaalsContact C-N 3.34Å; F69-T71 PolarHBondContact O-N 3.41Å; F69-F72 WeakPolarHBondContact O-CA 3.4Å; F69-F72 WeakPolarHBondContact O-CB 3.35Å; F69-F72 PolarHBondContact O-N 3.45Å; F69-D73 HydrophobicContact CD1-CB 4.27Å; F69-D73 HydrophobicContact CE1-CB 3.92Å; F69-D73 PolarHBondContact O-N 2.93Å; F69-G78 WeakPolarHBondContact CZ-O 3.46Å; F69-I80 HydrophobicContact CD2-CD1 3.25Å; F69-I80 HydrophobicContact CD2-CG1 3.9Å; F69-I80 HydrophobicContact CE2-CB 4.4Å; F69-I80 HydrophobicContact CE2-CD1 3.39Å; F69-I80 HydrophobicContact CE2-CG1 3.54Å; F69-I80 HydrophobicContact CG-CD1 3.97Å; F69-I80 HydrophobicContact CZ-CD1 4.19Å; F69-I80 HydrophobicContact CZ-CG1 3.89Å
70R88.9Confident86Confident85 Ų8543.8 Ų43.832%0.32125%0.253SS..Hα-helixtrans-58.7-34.5178.2-171.5-172.765.2-157.5-8.4112.8E66 H67 V68 F72 M107 L110E66-R70 PolarHBondContact O-N 3.23Å; H67-R70 PolarHBondContact O-N 3Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 2.94Å; R70-F72 VanDerWaalsContact C-N 3.29Å; R70-M107 PolarHBondContact NH2-O 2.93Å; R70-L110 VanDerWaalsContact NH1-CA 3.27Å; R70-L110 VanDerWaalsContact NH1-CB 3.33Å; R70-L110 PolarHBondContact NH1-O 2.97Å
71T85.1Confident86.9Confident15 Ų1542.1 Ų42.19%0.09224%0.244CC..Hα-helixtrans-77.1-16.7176.861.90000114.1H67 V68 F69 W103 M107H67-T71 PolarHBondContact O-N 3.4Å; V68-T71 PolarHBondContact O-N 3.35Å; V68-T71 VanDerWaalsContact O-N 3.07Å; V68-T71 PolarHBondContact O-OG1 2.87Å; F69-T71 PolarHBondContact O-N 3.41Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.43Å; T71-W103 PolarHBondContact OG1-NE1 2.82Å; T71-M107 HydrophobicContact CG2-CB 3.71Å; T71-M107 HydrophobicContact CG2-CG 4.08Å
72F87.9Confident87.6Confident19 Ų1942.1 Ų42.18%0.08324%0.243CC..Hα-helixtrans-89-40.7174.5-81.445.4000110.3F48 V68 F69 R70 T74 I80 E84 F85 A88 W103F48-F72 HydrophobicContact CE2-CD2 4.42Å; F48-F72 HydrophobicContact CE2-CE2 4.41Å; V68-F72 HydrophobicContact CG1-CD1 3.97Å; V68-F72 HydrophobicContact CG1-CE1 3.64Å; V68-F72 HydrophobicContact CG1-CZ 4.27Å; V68-F72 VanDerWaalsContact O-CD1 3.28Å; V68-F72 WeakPolarHBondContact O-CD1 3.44Å; V68-F72 PolarHBondContact O-N 3.48Å; F69-F72 WeakPolarHBondContact O-CA 3.4Å; F69-F72 WeakPolarHBondContact O-CB 3.35Å; F69-F72 PolarHBondContact O-N 3.45Å; R70-F72 VanDerWaalsContact C-N 3.29Å; F72-T74 VanDerWaalsContact C-N 3.3Å; F72-T74 PolarHBondContact O-N 3.27Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.83Å; F72-I80 HydrophobicContact CB-CG2 4.41Å; F72-I80 HydrophobicContact CD2-CD1 4.12Å; F72-I80 HydrophobicContact CG-CD1 4.15Å; F72-E84 WeakPolarHBondContact O-CB 3.26Å; F72-F85 HydrophobicContact CE2-CD2 4.41Å; F72-A88 HydrophobicContact CD1-CB 3.62Å; F72-A88 HydrophobicContact CD2-CB 3.52Å; F72-A88 HydrophobicContact CE1-CB 3.56Å; F72-A88 HydrophobicContact CE2-CB 3.46Å; F72-A88 VanDerWaalsContact CE2-CB 3.46Å; F72-A88 HydrophobicContact CG-CB 3.6Å; F72-A88 HydrophobicContact CZ-CB 3.48Å; F72-A88 VanDerWaalsContact CZ-CB 3.48Å; F72-W103 HydrophobicContact CD1-CZ2 4.01Å; F72-W103 HydrophobicContact CE1-CH2 4.33Å; F72-W103 AromaticContact CE1-CZ2 3.52Å; F72-W103 HydrophobicContact CE1-CZ2 3.52Å
73D90.1Very high88.1Confident20 Ų2043.2 Ų43.211%0.10724%0.238CC..  trans-72.579.6174.4179.96.5000110.4F69 N75 G76 D77 G78 I80F69-D73 HydrophobicContact CD1-CB 4.27Å; F69-D73 HydrophobicContact CE1-CB 3.92Å; F69-D73 PolarHBondContact O-N 2.93Å; D73-N75 VanDerWaalsContact C-N 3.34Å; D73-N75 PolarHBondContact OD1-OD1 3.12Å; D73-G76 WeakPolarHBondContact OD1-CA 3.29Å; D73-G76 PolarHBondContact OD1-N 2.88Å; D73-D77 PolarHBondContact OD1-N 2.68Å; D73-D77 VanDerWaalsContact OD1-N 3.09Å; D73-G78 VanDerWaalsContact OD2-CA 3.26Å; D73-G78 WeakPolarHBondContact OD2-CA 3.5Å; D73-G78 PolarHBondContact OD2-N 2.81Å; D73-I80 HydrophobicContact CB-CG1 4.33Å
74T85.3Confident88.5Confident107 Ų10738.8 Ų38.866%0.65622%0.219SC*.SBendtrans-75.1-26.1-175.657.40000112.9F72 E84F72-T74 VanDerWaalsContact C-N 3.3Å; F72-T74 PolarHBondContact O-N 3.27Å; T74-E84 PolarHBondContact N-OE1 3.45Å; T74-E84 PolarHBondContact OG1-OE1 3.03Å
75N88.5Confident88.9Confident88 Ų8840.3 Ų40.347%0.47123%0.226SC..SBendtrans-89.7-12.5179.675.16.3000112.7D73 D77 E84D73-N75 VanDerWaalsContact C-N 3.34Å; D73-N75 PolarHBondContact OD1-OD1 3.12Å; N75-D77 VanDerWaalsContact C-N 3.34Å; N75-D77 PolarHBondContact ND2-OD2 3Å; N75-D77 VanDerWaalsContact OD1-CB 3.29Å; N75-D77 WeakPolarHBondContact OD1-CB 3.43Å; N75-D77 PolarHBondContact OD1-N 3.24Å; N75-D77 PolarHBondContact OD1-OD2 2.95Å; N75-E84 PolarHBondContact N-OE1 2.94Å; N75-E84 VanDerWaalsContact N-OE1 3.14Å
76G87.5Confident89Confident61 Ų6140.3 Ų40.363%0.62923%0.226SC*.  trans71.325.6177.700000113.5D73 G78D73-G76 WeakPolarHBondContact OD1-CA 3.29Å; D73-G76 PolarHBondContact OD1-N 2.88Å; G76-G78 VanDerWaalsContact C-N 3.29Å
77D91.6Very high89.1Confident89 Ų8938.3 Ų38.348%0.47622%0.217SC..SBendtrans-84.7-3-177.679.219.9000113.6D73 N75 T79D73-D77 PolarHBondContact OD1-N 2.68Å; D73-D77 VanDerWaalsContact OD1-N 3.09Å; N75-D77 VanDerWaalsContact C-N 3.34Å; N75-D77 PolarHBondContact ND2-OD2 3Å; N75-D77 VanDerWaalsContact OD1-CB 3.29Å; N75-D77 WeakPolarHBondContact OD1-CB 3.43Å; N75-D77 PolarHBondContact OD1-N 3.24Å; N75-D77 PolarHBondContact OD1-OD2 2.95Å; D77-T79 VanDerWaalsContact C-N 3.3Å; D77-T79 WeakPolarHBondContact OD1-CA 3.48Å; D77-T79 WeakPolarHBondContact OD1-CB 3.05Å; D77-T79 PolarHBondContact OD1-N 3.37Å; D77-T79 PolarHBondContact OD1-OG1 3.14Å
78G90.5Very high89Confident38 Ų3838 Ų3839%0.39222%0.217SC..SBendtrans82.28.2-179.800000113.4F69 D73 G76F69-G78 WeakPolarHBondContact CZ-O 3.46Å; D73-G78 VanDerWaalsContact OD2-CA 3.26Å; D73-G78 WeakPolarHBondContact OD2-CA 3.5Å; D73-G78 PolarHBondContact OD2-N 2.81Å; G76-G78 VanDerWaalsContact C-N 3.29Å
79T92.6Very high89Confident35 Ų3539.7 Ų39.722%0.21523%0.226CC..EExtended strand (participates in β ladder)trans-134.4151.5174.868.90000110.7D77D77-T79 VanDerWaalsContact C-N 3.3Å; D77-T79 WeakPolarHBondContact OD1-CA 3.48Å; D77-T79 WeakPolarHBondContact OD1-CB 3.05Å; D77-T79 PolarHBondContact OD1-N 3.37Å; D77-T79 PolarHBondContact OD1-OG1 3.14Å
80I91.8Very high88.8Confident1 Ų139.3 Ų39.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-102117.2172.2-65.6166.2000107.3T42 L43 F48 F69 F72 D73 E84 F85T42-I80 CarbonylContact C-O 3.58Å; T42-I80 WeakPolarHBondContact CA-O 3.24Å; L43-I80 HydrophobicContact CB-CB 4.42Å; L43-I80 HydrophobicContact CD2-CD1 4.44Å; L43-I80 PolarHBondContact N-O 3.42Å; L43-I80 PolarHBondContact O-N 3.38Å; F48-I80 HydrophobicContact CD2-CD1 4Å; F48-I80 HydrophobicContact CE2-CD1 4.25Å; F69-I80 HydrophobicContact CD2-CD1 3.25Å; F69-I80 HydrophobicContact CD2-CG1 3.9Å; F69-I80 HydrophobicContact CE2-CB 4.4Å; F69-I80 HydrophobicContact CE2-CD1 3.39Å; F69-I80 HydrophobicContact CE2-CG1 3.54Å; F69-I80 HydrophobicContact CG-CD1 3.97Å; F69-I80 HydrophobicContact CZ-CD1 4.19Å; F69-I80 HydrophobicContact CZ-CG1 3.89Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.83Å; F72-I80 HydrophobicContact CB-CG2 4.41Å; F72-I80 HydrophobicContact CD2-CD1 4.12Å; F72-I80 HydrophobicContact CG-CD1 4.15Å; D73-I80 HydrophobicContact CB-CG1 4.33Å; I80-E84 HydrophobicContact CG2-CB 3.94Å; I80-F85 HydrophobicContact CG2-CB 3.83Å
81D91.8Very high88.6Confident49 Ų4936.5 Ų36.526%0.26222%0.217SC..EExtended strand (participates in β ladder)trans-81.2172.9171.380.524.3000112T42 R83 E84 F85T42-D81 HydrophobicContact CG2-CB 4.39Å; D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 2.86Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.43Å; D81-R83 VanDerWaalsContact OD1-CB 3.23Å; D81-R83 WeakPolarHBondContact OD1-CB 3.44Å; D81-R83 PolarHBondContact OD1-N 2.9Å; D81-E84 PolarHBondContact N-OE2 3.07Å; D81-E84 PolarHBondContact O-N 3.42Å; D81-E84 PolarHBondContact OD1-N 3.41Å; D81-F85 WeakPolarHBondContact O-CB 3.04Å; D81-F85 PolarHBondContact O-N 2.97Å
82F90.1Very high88.2Confident6 Ų638 Ų383%0.02623%0.227CC..Hα-helixtrans-61.5-34.9-179.8178.6-109000113.3L8 M12 L16 W30 Y31 F34 F85 I86L8-F82 HydrophobicContact CD1-CE1 3.99Å; L8-F82 HydrophobicContact CD2-CD1 3.89Å; L8-F82 HydrophobicContact CD2-CE1 3.83Å; L8-F82 HydrophobicContact CG-CE1 4.46Å; M12-F82 HydrophobicContact CE-CB 4.5Å; M12-F82 HydrophobicContact CE-CD1 4.02Å; L16-F82 HydrophobicContact CD1-CD1 4.08Å; L16-F82 HydrophobicContact CD1-CE1 3.7Å; W30-F82 HydrophobicContact CB-CE2 4.02Å; W30-F82 HydrophobicContact CB-CZ 4Å; Y31-F82 VanDerWaalsContact CA-CE2 3.41Å; Y31-F82 VanDerWaalsContact CA-CZ 3.48Å; Y31-F82 HydrophobicContact CD2-CB 4.07Å; Y31-F82 AromaticContact CD2-CD1 3.42Å; Y31-F82 HydrophobicContact CD2-CD1 3.42Å; Y31-F82 VanDerWaalsContact CD2-CD1 3.42Å; Y31-F82 AromaticContact CD2-CD2 3.85Å; Y31-F82 HydrophobicContact CD2-CD2 3.85Å; Y31-F82 AromaticContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE1 3.73Å; Y31-F82 HydrophobicContact CD2-CE2 4.13Å; Y31-F82 AromaticContact CD2-CG 3.47Å; Y31-F82 HydrophobicContact CD2-CG 3.47Å; Y31-F82 VanDerWaalsContact CD2-CG 3.47Å; Y31-F82 HydrophobicContact CD2-CZ 4.08Å; Y31-F82 HydrophobicContact CE2-CB 4.12Å; Y31-F82 HydrophobicContact CE2-CD1 4.04Å; Y31-F82 HydrophobicContact CE2-CG 4.02Å; Y31-F82 HydrophobicContact CG-CD1 4.29Å; Y31-F82 HydrophobicContact CG-CE1 4.17Å; Y31-F82 HydrophobicContact CG-CZ 4.34Å; F34-F82 HydrophobicContact CB-CD2 3.68Å; F34-F82 HydrophobicContact CB-CE2 4.01Å; F34-F82 HydrophobicContact CD1-CB 4.07Å; F34-F82 AromaticContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CD2 3.99Å; F34-F82 HydrophobicContact CD1-CG 4.49Å; F34-F82 HydrophobicContact CD2-CD2 4.15Å; F34-F82 HydrophobicContact CE1-CB 4.14Å; F34-F82 AromaticContact CG-CD2 3.68Å; F34-F82 HydrophobicContact CG-CD2 3.68Å; F34-F82 HydrophobicContact CG-CE2 4.45Å; F82-F85 HydrophobicContact CD2-CD1 4.48Å; F82-I86 HydrophobicContact CE1-CB 4.49Å; F82-I86 HydrophobicContact CE1-CG2 4.31Å; F82-I86 HydrophobicContact CE2-CB 4.41Å; F82-I86 HydrophobicContact CZ-CB 4.21Å; F82-I86 HydrophobicContact CZ-CG1 4.29Å; F82-I86 WeakPolarHBondContact O-CB 3.02Å; F82-I86 VanDerWaalsContact O-CG2 3.31Å; F82-I86 WeakPolarHBondContact O-CG2 3.47Å; F82-I86 PolarHBondContact O-N 3.37Å
83R91.1Very high87.7Confident78 Ų7840 Ų4029%0.29424%0.243SC..Hα-helixtrans-67.2-46.9-179.3172.7-178.7-165.9-76.8-4.5110.1M12 D15 L16 D81 I86 I87M12-R83 HydrophobicContact CE-CB 4.14Å; D15-R83 IonicContact OD1-CZ 2.71Å; D15-R83 IonicContact OD1-NE 2.67Å; D15-R83 IonicContact OD1-NH2 3.42Å; D15-R83 PolarHBondContact OD1-NH2 3.24Å; D15-R83 IonicContact OD2-CZ 2.68Å; D15-R83 IonicContact OD2-NE 3.24Å; D15-R83 PolarHBondContact OD2-NE 3.4Å; D15-R83 IonicContact OD2-NH2 3.75Å; D15-R83 PolarHBondContact OD2-NH2 2.83Å; L16-R83 HydrophobicContact CD2-CB 4.03Å; L16-R83 HydrophobicContact CD2-CG 3.76Å; D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 2.86Å; D81-R83 VanDerWaalsContact OD1-CA 3.3Å; D81-R83 WeakPolarHBondContact OD1-CA 3.43Å; D81-R83 VanDerWaalsContact OD1-CB 3.23Å; D81-R83 WeakPolarHBondContact OD1-CB 3.44Å; D81-R83 PolarHBondContact OD1-N 2.9Å; R83-I86 WeakPolarHBondContact O-CG2 3.43Å; R83-I86 PolarHBondContact O-N 3.29Å; R83-I87 HydrophobicContact CG-CD1 3.68Å; R83-I87 WeakPolarHBondContact O-CB 3.41Å; R83-I87 WeakPolarHBondContact O-CG1 3.35Å; R83-I87 PolarHBondContact O-N 2.93Å
84E91.6Very high87.2Confident7 Ų744.4 Ų44.43%0.03326%0.258CS..Hα-helixtrans-60.3-47.6176-74178.6138.700111.8F72 T74 N75 I80 D81 I86 I87 A88F72-E84 WeakPolarHBondContact O-CB 3.26Å; T74-E84 PolarHBondContact N-OE1 3.45Å; T74-E84 PolarHBondContact OG1-OE1 3.03Å; N75-E84 PolarHBondContact N-OE1 2.94Å; N75-E84 VanDerWaalsContact N-OE1 3.14Å; I80-E84 HydrophobicContact CG2-CB 3.94Å; D81-E84 PolarHBondContact N-OE2 3.07Å; D81-E84 PolarHBondContact O-N 3.42Å; D81-E84 PolarHBondContact OD1-N 3.41Å; E84-I86 PolarHBondContact O-N 2.84Å; E84-I87 PolarHBondContact O-N 3.19Å; E84-A88 WeakPolarHBondContact O-CB 2.97Å; E84-A88 PolarHBondContact O-N 2.88Å
85F89Confident86.9Confident39 Ų3939.8 Ų39.817%0.17123%0.231CC..Hα-helixtrans-56.6-50.6176.5174.4-102000112.5W30 F34 F72 I80 D81 F82 A88 L89W30-F85 AromaticContact CE3-CE1 3.89Å; W30-F85 HydrophobicContact CE3-CE1 3.89Å; W30-F85 HydrophobicContact CE3-CZ 4.39Å; W30-F85 HydrophobicContact CZ3-CE1 4.05Å; W30-F85 HydrophobicContact CZ3-CZ 4.08Å; F34-F85 HydrophobicContact CD2-CB 4.47Å; F34-F85 AromaticContact CD2-CD1 3.86Å; F34-F85 HydrophobicContact CD2-CD1 3.86Å; F34-F85 HydrophobicContact CD2-CE1 4.27Å; F34-F85 HydrophobicContact CD2-CG 4.07Å; F34-F85 HydrophobicContact CE2-CB 3.98Å; F34-F85 HydrophobicContact CE2-CD1 4.19Å; F34-F85 HydrophobicContact CE2-CD2 4.38Å; F34-F85 AromaticContact CE2-CG 3.92Å; F34-F85 HydrophobicContact CE2-CG 3.92Å; F72-F85 HydrophobicContact CE2-CD2 4.41Å; I80-F85 HydrophobicContact CG2-CB 3.83Å; D81-F85 WeakPolarHBondContact O-CB 3.04Å; D81-F85 PolarHBondContact O-N 2.97Å; F82-F85 HydrophobicContact CD2-CD1 4.48Å; F85-A88 PolarHBondContact O-N 3.12Å; F85-L89 HydrophobicContact CE1-CD2 4.27Å; F85-L89 HydrophobicContact CZ-CD2 4.35Å; F85-L89 WeakPolarHBondContact O-CB 3.36Å; F85-L89 PolarHBondContact O-N 3.19Å
86I88.2Confident86.7Confident0 Ų043.1 Ų43.10%024%0.242CC..Hα-helixtrans-74.5-31.9-173.3-160.662000112.4L16 T20 F22 L27 W30 F82 R83 E84 L89 S90L16-I86 HydrophobicContact CD1-CG2 4.25Å; L16-I86 HydrophobicContact CD2-CG2 3.54Å; L16-I86 HydrophobicContact CG-CG2 4.43Å; T20-I86 HydrophobicContact CG2-CG2 4.29Å; F22-I86 HydrophobicContact CD2-CD1 3.83Å; F22-I86 HydrophobicContact CD2-CG1 3.87Å; F22-I86 HydrophobicContact CE2-CD1 3.65Å; F22-I86 HydrophobicContact CE2-CG1 4.04Å; F22-I86 HydrophobicContact CZ-CD1 4.28Å; L27-I86 HydrophobicContact CD2-CG1 3.7Å; W30-I86 HydrophobicContact CB-CD1 3.91Å; W30-I86 HydrophobicContact CD2-CD1 4.26Å; W30-I86 HydrophobicContact CG-CD1 3.75Å; F82-I86 HydrophobicContact CE1-CB 4.49Å; F82-I86 HydrophobicContact CE1-CG2 4.31Å; F82-I86 HydrophobicContact CE2-CB 4.41Å; F82-I86 HydrophobicContact CZ-CB 4.21Å; F82-I86 HydrophobicContact CZ-CG1 4.29Å; F82-I86 WeakPolarHBondContact O-CB 3.02Å; F82-I86 VanDerWaalsContact O-CG2 3.31Å; F82-I86 WeakPolarHBondContact O-CG2 3.47Å; F82-I86 PolarHBondContact O-N 3.37Å; R83-I86 WeakPolarHBondContact O-CG2 3.43Å; R83-I86 PolarHBondContact O-N 3.29Å; E84-I86 PolarHBondContact O-N 2.84Å; I86-L89 HydrophobicContact CD1-CD2 4.15Å; I86-S90 WeakPolarHBondContact O-CB 3.44Å; I86-S90 PolarHBondContact O-N 3.47Å
87I88.3Confident86.4Confident39 Ų3944 Ų4420%0.223%0.232CC..Hα-helixtrans-65.4-49.2173.2-70.9170.9000109.9N19 T20 R83 E84 L89 S90 V91N19-I87 HydrophobicContact CB-CD1 4.15Å; N19-I87 HydrophobicContact CB-CG1 4.28Å; T20-I87 HydrophobicContact CG2-CG1 3.86Å; R83-I87 HydrophobicContact CG-CD1 3.68Å; R83-I87 WeakPolarHBondContact O-CB 3.41Å; R83-I87 WeakPolarHBondContact O-CG1 3.35Å; R83-I87 PolarHBondContact O-N 2.93Å; E84-I87 PolarHBondContact O-N 3.19Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 2.61Å; I87-S90 WeakPolarHBondContact O-CB 3.33Å; I87-S90 PolarHBondContact O-N 2.8Å; I87-S90 VanDerWaalsContact O-N 3.14Å; I87-V91 WeakPolarHBondContact O-CG2 3.49Å; I87-V91 PolarHBondContact O-N 2.78Å
88A85.5Confident86Confident7 Ų744.4 Ų44.46%0.05823%0.231CC..Hα-helixtrans-61.8-41.1177.900000111.7F72 E84 F85 S90 V91 T92F72-A88 HydrophobicContact CD1-CB 3.62Å; F72-A88 HydrophobicContact CD2-CB 3.52Å; F72-A88 HydrophobicContact CE1-CB 3.56Å; F72-A88 HydrophobicContact CE2-CB 3.46Å; F72-A88 VanDerWaalsContact CE2-CB 3.46Å; F72-A88 HydrophobicContact CG-CB 3.6Å; F72-A88 HydrophobicContact CZ-CB 3.48Å; F72-A88 VanDerWaalsContact CZ-CB 3.48Å; E84-A88 WeakPolarHBondContact O-CB 2.97Å; E84-A88 PolarHBondContact O-N 2.88Å; F85-A88 PolarHBondContact O-N 3.12Å; A88-S90 VanDerWaalsContact C-N 3.35Å; A88-S90 PolarHBondContact O-N 2.88Å; A88-V91 PolarHBondContact O-N 2.67Å; A88-T92 WeakPolarHBondContact O-CB 3.39Å; A88-T92 WeakPolarHBondContact O-CG2 3.43Å; A88-T92 PolarHBondContact O-N 3.41Å; A88-T92 PolarHBondContact O-OG1 3.02Å
89L84.8Confident85.7Confident38 Ų3846.6 Ų46.620%0.19923%0.231CC..Hα-helixtrans-62.6-40.8174.1-174.364.1000112F22 W30 F85 I86 I87 T92 S93F22-L89 HydrophobicContact CE2-CG 4.46Å; F22-L89 HydrophobicContact CZ-CD2 4.13Å; F22-L89 HydrophobicContact CZ-CG 4.15Å; W30-L89 HydrophobicContact CD2-CD2 4.14Å; W30-L89 HydrophobicContact CE3-CD2 4.28Å; W30-L89 HydrophobicContact CH2-CD2 3.68Å; W30-L89 HydrophobicContact CZ2-CD2 3.51Å; W30-L89 HydrophobicContact CZ3-CD2 4.06Å; F85-L89 HydrophobicContact CE1-CD2 4.27Å; F85-L89 HydrophobicContact CZ-CD2 4.35Å; F85-L89 WeakPolarHBondContact O-CB 3.36Å; F85-L89 PolarHBondContact O-N 3.19Å; I86-L89 HydrophobicContact CD1-CD2 4.15Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 2.61Å; L89-T92 WeakPolarHBondContact CA-OG1 3.41Å; L89-T92 PolarHBondContact O-OG1 3.29Å; L89-S93 VanDerWaalsContact O-CB 3.24Å; L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 3.2Å; L89-S93 PolarHBondContact O-OG 3.21Å
90S85.4Confident85.3Confident5 Ų547.8 Ų47.84%0.03523%0.233CC..Hα-helixtrans-61.2-47.3176.5-178.80000111.4T20 E21 I86 I87 A88 R94 G95T20-S90 WeakPolarHBondContact CA-OG 3.46Å; E21-S90 PolarHBondContact N-OG 3.15Å; I86-S90 WeakPolarHBondContact O-CB 3.44Å; I86-S90 PolarHBondContact O-N 3.47Å; I87-S90 WeakPolarHBondContact O-CB 3.33Å; I87-S90 PolarHBondContact O-N 2.8Å; I87-S90 VanDerWaalsContact O-N 3.14Å; A88-S90 VanDerWaalsContact C-N 3.35Å; A88-S90 PolarHBondContact O-N 2.88Å; S90-R94 CarbonylContact O-C 3.56Å; S90-R94 WeakPolarHBondContact O-CA 3.42Å; S90-R94 PolarHBondContact O-N 2.66Å; S90-G95 PolarHBondContact O-N 3.26Å
91V83.4Confident85Confident26 Ų2647.9 Ų47.916%0.15823%0.233CC..Hα-helixtrans-63.5-47.3179.6172.60000111.4I87 A88 G95 Q99 K100 W103I87-V91 WeakPolarHBondContact O-CG2 3.49Å; I87-V91 PolarHBondContact O-N 2.78Å; A88-V91 PolarHBondContact O-N 2.67Å; V91-G95 VanDerWaalsContact O-CA 3.24Å; V91-G95 WeakPolarHBondContact O-CA 3.4Å; V91-G95 PolarHBondContact O-N 2.97Å; V91-G95 VanDerWaalsContact O-N 3.12Å; V91-Q99 HydrophobicContact CG1-CB 4.19Å; V91-K100 WeakPolarHBondContact O-CG 3.36Å; V91-W103 HydrophobicContact CG1-CB 3.91Å; V91-W103 HydrophobicContact CG1-CG 4.31Å
92T77.8Confident84.8Confident47 Ų4750.9 Ų50.929%0.28824%0.244SC..Hα-helixtrans-70.8-38.5-176.352.50000112.5A88 L89 K100 W103A88-T92 WeakPolarHBondContact O-CB 3.39Å; A88-T92 WeakPolarHBondContact O-CG2 3.43Å; A88-T92 PolarHBondContact O-N 3.41Å; A88-T92 PolarHBondContact O-OG1 3.02Å; L89-T92 WeakPolarHBondContact CA-OG1 3.41Å; L89-T92 PolarHBondContact O-OG1 3.29Å; T92-K100 VanDerWaalsContact O-CE 3.24Å; T92-K100 WeakPolarHBondContact O-CE 3.41Å; T92-K100 PolarHBondContact O-NZ 3.29Å; T92-W103 HydrophobicContact CG2-CD2 4.12Å; T92-W103 HydrophobicContact CG2-CE3 3.94Å; T92-W103 HydrophobicContact CG2-CH2 4Å; T92-W103 HydrophobicContact CG2-CZ2 4.25Å; T92-W103 HydrophobicContact CG2-CZ3 3.86Å
93S75.9Confident84.5Confident61 Ų6153 Ų5343%0.42725%0.252SS..Hα-helixtrans-86.7-49.3-177.966.70000113.8L89L89-S93 VanDerWaalsContact O-CB 3.24Å; L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 3.2Å; L89-S93 PolarHBondContact O-OG 3.21Å
94R80.6Confident84.2Confident111 Ų11149.5 Ų49.542%0.41924%0.24SC..Hα-helixtrans-113.9-10.8-170.3-64.3177.5-174.8-169.20.3113.9E21 E26 S90E21-R94 HydrophobicContact CB-CB 3.92Å; E21-R94 HydrophobicContact CG-CB 4.34Å; E21-R94 PolarHBondContact O-NH1 2.76Å; E26-R94 IonicContact OE1-CZ 3.41Å; E26-R94 IonicContact OE1-NH1 2.71Å; E26-R94 PolarHBondContact OE1-NH1 2.92Å; E26-R94 IonicContact OE1-NH2 3.5Å; E26-R94 PolarHBondContact OE1-NH2 2.82Å; E26-R94 IonicContact OE2-NH1 2.93Å; E26-R94 PolarHBondContact OE2-NH1 2.8Å; E26-R94 VanDerWaalsContact OE2-NH1 3.15Å; E26-R94 IonicContact OE2-NH2 2.66Å; S90-R94 CarbonylContact O-C 3.56Å; S90-R94 WeakPolarHBondContact O-CA 3.42Å; S90-R94 PolarHBondContact O-N 2.66Å
95G78.6Confident84.1Confident10 Ų1049.8 Ų49.810%0.10324%0.241CC..  trans-62152.1-178.500000113.3S90 V91 K100S90-G95 PolarHBondContact O-N 3.26Å; V91-G95 VanDerWaalsContact O-CA 3.24Å; V91-G95 WeakPolarHBondContact O-CA 3.4Å; V91-G95 PolarHBondContact O-N 2.97Å; V91-G95 VanDerWaalsContact O-N 3.12Å; G95-K100 WeakPolarHBondContact O-CE 3.18Å
96K84.9Confident84Confident159 Ų15950.3 Ų50.369%0.69125%0.25SC*.  trans-66.1157.5172.1-64177.4-176.4172.20110E98 Q99 K100K96-E98 PolarHBondContact O-N 2.67Å; K96-E98 VanDerWaalsContact O-N 3.11Å; K96-Q99 WeakPolarHBondContact O-CB 3.28Å; K96-Q99 PolarHBondContact O-N 3.13Å; K96-K100 PolarHBondContact O-N 2.98Å
97L81.3Confident83.9Confident79 Ų7950.9 Ų50.941%0.41425%0.252SS..Hα-helixtrans-49.3-43178.5178.662.2000112.4Q99 K100 L101 V180L97-Q99 PolarHBondContact O-N 2.81Å; L97-K100 PolarHBondContact O-N 3.33Å; L97-L101 HydrophobicContact CD1-CD1 4.22Å; L97-L101 HydrophobicContact CD1-CG 4.16Å; L97-L101 HydrophobicContact CG-CD1 4Å; L97-L101 HydrophobicContact CG-CG 4.35Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.25Å; L97-L101 PolarHBondContact O-N 3.38Å; L97-V180 HydrophobicContact CD1-CG1 4.08Å
98E83.6Confident84Confident98 Ų9849.5 Ų49.546%0.45825%0.245SC..Hα-helixtrans-64.1-37.7178.5-65.1-172.4160.300113.7K96 L101 K102 K174K96-E98 PolarHBondContact O-N 2.67Å; K96-E98 VanDerWaalsContact O-N 3.11Å; E98-L101 PolarHBondContact O-N 2.96Å; E98-K102 WeakPolarHBondContact O-CB 3.18Å; E98-K102 WeakPolarHBondContact O-CG 3.33Å; E98-K102 PolarHBondContact O-N 3.23Å; E98-K174 IonicContact OE1-NZ 2.95Å; E98-K174 PolarHBondContact OE1-NZ 3.08Å
99Q83.6Confident84.2Confident84 Ų8450 Ų5039%0.39325%0.246SC..Hα-helixtrans-67.6-41.3175.9-67.8170.2-61.200110.3V91 K96 L97 L101 K102 W103V91-Q99 HydrophobicContact CG1-CB 4.19Å; K96-Q99 WeakPolarHBondContact O-CB 3.28Å; K96-Q99 PolarHBondContact O-N 3.13Å; L97-Q99 PolarHBondContact O-N 2.81Å; Q99-L101 VanDerWaalsContact C-N 3.34Å; Q99-L101 PolarHBondContact O-N 3.17Å; Q99-K102 PolarHBondContact O-N 3.07Å; Q99-W103 WeakPolarHBondContact O-CB 3.33Å; Q99-W103 PolarHBondContact O-N 3.23Å
100K83.6Confident84.4Confident59 Ų5949.8 Ų49.826%0.25725%0.246SC..Hα-helixtrans-61.8-41.3174.6-63.2-171.5-173.2-155.60111.9V91 T92 G95 K96 L97 W103 A104V91-K100 WeakPolarHBondContact O-CG 3.36Å; T92-K100 VanDerWaalsContact O-CE 3.24Å; T92-K100 WeakPolarHBondContact O-CE 3.41Å; T92-K100 PolarHBondContact O-NZ 3.29Å; G95-K100 WeakPolarHBondContact O-CE 3.18Å; K96-K100 PolarHBondContact O-N 2.98Å; L97-K100 PolarHBondContact O-N 3.33Å; K100-W103 PolarHBondContact O-N 3.02Å; K100-A104 WeakPolarHBondContact O-CB 3.33Å; K100-A104 PolarHBondContact O-N 3.35Å
101L85.2Confident84.6Confident3 Ų354.7 Ų54.72%0.01627%0.271CS..Hα-helixtrans-69.1-38.2177.4-70.1174.6000112.4L97 E98 Q99 A104 F105 F169 I170 A173 K174 V180 L183L97-L101 HydrophobicContact CD1-CD1 4.22Å; L97-L101 HydrophobicContact CD1-CG 4.16Å; L97-L101 HydrophobicContact CG-CD1 4Å; L97-L101 HydrophobicContact CG-CG 4.35Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.25Å; L97-L101 PolarHBondContact O-N 3.38Å; E98-L101 PolarHBondContact O-N 2.96Å; Q99-L101 VanDerWaalsContact C-N 3.34Å; Q99-L101 PolarHBondContact O-N 3.17Å; L101-A104 PolarHBondContact O-N 3.02Å; L101-F105 WeakPolarHBondContact O-CB 3.35Å; L101-F105 PolarHBondContact O-N 3.04Å; L101-F169 HydrophobicContact CD2-CE1 4.42Å; L101-F169 WeakPolarHBondContact O-CE1 3.09Å; L101-I170 HydrophobicContact CB-CG1 4.18Å; L101-I170 HydrophobicContact CD1-CG2 4.31Å; L101-A173 HydrophobicContact CD1-CB 4.07Å; L101-A173 HydrophobicContact CD2-CB 3.55Å; L101-A173 HydrophobicContact CG-CB 4.46Å; L101-K174 HydrophobicContact CD1-CG 4.27Å; L101-V180 HydrophobicContact CD2-CG2 4.48Å; L101-L183 HydrophobicContact CD2-CD1 3.96Å
102K87.6Confident84.8Confident113 Ų11356.2 Ų56.249%0.49129%0.292SS..Hα-helixtrans-63.5-43.1173-76.1178178.5-173.70111.8E98 Q99 F105 S106 L166 I170E98-K102 WeakPolarHBondContact O-CB 3.18Å; E98-K102 WeakPolarHBondContact O-CG 3.33Å; E98-K102 PolarHBondContact O-N 3.23Å; Q99-K102 PolarHBondContact O-N 3.07Å; K102-F105 WeakPolarHBondContact O-CB 3.41Å; K102-F105 PolarHBondContact O-N 3.09Å; K102-S106 PolarHBondContact O-N 3.37Å; K102-S106 VanDerWaalsContact O-N 3.07Å; K102-L166 HydrophobicContact CG-CD1 4.14Å; K102-L166 HydrophobicContact CG-CD2 4.34Å; K102-I170 HydrophobicContact CG-CD1 4.18Å
103W85.2Confident85.5Confident49 Ų4957.8 Ų57.819%0.18630%0.299CS..Hα-helixtrans-65.2-42.9175.6-179.476.9000111.6V68 T71 F72 V91 T92 Q99 K100 F105 S106 M107V68-W103 HydrophobicContact CG1-CH2 4.47Å; V68-W103 HydrophobicContact CG1-CZ2 4.35Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.43Å; T71-W103 PolarHBondContact OG1-NE1 2.82Å; F72-W103 HydrophobicContact CD1-CZ2 4.01Å; F72-W103 HydrophobicContact CE1-CH2 4.33Å; F72-W103 AromaticContact CE1-CZ2 3.52Å; F72-W103 HydrophobicContact CE1-CZ2 3.52Å; V91-W103 HydrophobicContact CG1-CB 3.91Å; V91-W103 HydrophobicContact CG1-CG 4.31Å; T92-W103 HydrophobicContact CG2-CD2 4.12Å; T92-W103 HydrophobicContact CG2-CE3 3.94Å; T92-W103 HydrophobicContact CG2-CH2 4Å; T92-W103 HydrophobicContact CG2-CZ2 4.25Å; T92-W103 HydrophobicContact CG2-CZ3 3.86Å; Q99-W103 WeakPolarHBondContact O-CB 3.33Å; Q99-W103 PolarHBondContact O-N 3.23Å; K100-W103 PolarHBondContact O-N 3.02Å; W103-F105 VanDerWaalsContact C-N 3.32Å; W103-F105 PolarHBondContact O-N 2.89Å; W103-S106 PolarHBondContact O-N 3.15Å; W103-S106 PolarHBondContact O-OG 2.76Å; W103-M107 HydrophobicContact CE3-CE 4.37Å; W103-M107 HydrophobicContact CH2-CE 3.09Å; W103-M107 HydrophobicContact CZ2-CE 3.66Å; W103-M107 HydrophobicContact CZ3-CE 3.5Å; W103-M107 VanDerWaalsContact CZ3-CE 3.5Å; W103-M107 PolarHBondContact O-N 3.37Å; W103-M107 VanDerWaalsContact O-N 3.15Å
104A84.9Confident86.3Confident6 Ų656.5 Ų56.55%0.0530%0.295CS..Hα-helixtrans-57.8-46.4171.900000110.7K100 L101 S106 M107 Y108 F169K100-A104 WeakPolarHBondContact O-CB 3.33Å; K100-A104 PolarHBondContact O-N 3.35Å; L101-A104 PolarHBondContact O-N 3.02Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 2.96Å; A104-M107 WeakPolarHBondContact O-CA 3.46Å; A104-M107 WeakPolarHBondContact O-CB 3.43Å; A104-M107 PolarHBondContact O-N 3.39Å; A104-Y108 VanDerWaalsContact O-CD2 3.25Å; A104-Y108 WeakPolarHBondContact O-CD2 3.47Å; A104-Y108 PolarHBondContact O-N 2.93Å; A104-F169 HydrophobicContact CB-CE1 4.24Å; A104-F169 HydrophobicContact CB-CZ 4.26Å
105F88.8Confident86.9Confident13 Ų1355.7 Ų55.76%0.05729%0.292CS..Hα-helixtrans-53.3-46.7176.1-176-86.3000112.1L101 K102 W103 M107 Y108 D109 G114 I116 L166 F169L101-F105 WeakPolarHBondContact O-CB 3.35Å; L101-F105 PolarHBondContact O-N 3.04Å; K102-F105 WeakPolarHBondContact O-CB 3.41Å; K102-F105 PolarHBondContact O-N 3.09Å; W103-F105 VanDerWaalsContact C-N 3.32Å; W103-F105 PolarHBondContact O-N 2.89Å; F105-M107 PolarHBondContact O-N 3.1Å; F105-Y108 PolarHBondContact O-N 3.1Å; F105-D109 HydrophobicContact CD1-CB 4.3Å; F105-D109 HydrophobicContact CE1-CB 3.97Å; F105-D109 WeakPolarHBondContact O-CB 3.5Å; F105-D109 PolarHBondContact O-N 3.31Å; F105-G114 WeakPolarHBondContact CZ-O 3.33Å; F105-I116 HydrophobicContact CD2-CD1 3.36Å; F105-I116 HydrophobicContact CD2-CG1 3.98Å; F105-I116 HydrophobicContact CE2-CD1 3.43Å; F105-I116 VanDerWaalsContact CE2-CD1 3.43Å; F105-I116 HydrophobicContact CE2-CG1 3.61Å; F105-I116 HydrophobicContact CG-CD1 4.12Å; F105-I116 HydrophobicContact CZ-CD1 4.23Å; F105-I116 HydrophobicContact CZ-CG1 3.93Å; F105-L166 HydrophobicContact CB-CD1 3.61Å; F105-L166 HydrophobicContact CD1-CD1 3.92Å; F105-L166 HydrophobicContact CD2-CB 4.29Å; F105-L166 HydrophobicContact CD2-CD1 3.79Å; F105-L166 HydrophobicContact CE1-CB 4.38Å; F105-L166 VanDerWaalsContact CE2-CA 3.49Å; F105-L166 HydrophobicContact CE2-CB 4.13Å; F105-L166 HydrophobicContact CE2-CD1 4.46Å; F105-L166 HydrophobicContact CG-CB 4.49Å; F105-L166 HydrophobicContact CG-CD1 3.48Å; F105-L166 VanDerWaalsContact CG-CD1 3.48Å; F105-L166 HydrophobicContact CZ-CB 4.18Å; F105-F169 HydrophobicContact CB-CD1 4Å; F105-F169 HydrophobicContact CB-CE1 4.08Å; F105-F169 HydrophobicContact CD2-CB 3.69Å; F105-F169 AromaticContact CD2-CD1 3.95Å; F105-F169 HydrophobicContact CD2-CD1 3.95Å; F105-F169 HydrophobicContact CD2-CD2 4.31Å; F105-F169 AromaticContact CD2-CG 3.74Å; F105-F169 HydrophobicContact CD2-CG 3.74Å; F105-F169 HydrophobicContact CE2-CB 4.11Å
106S87.4Confident87.7Confident50 Ų5055.2 Ų55.235%0.3529%0.288SS..Hα-helixtrans-64.9-19.2176.162.30000114.6K102 W103 A104K102-S106 PolarHBondContact O-N 3.37Å; K102-S106 VanDerWaalsContact O-N 3.07Å; W103-S106 PolarHBondContact O-N 3.15Å; W103-S106 PolarHBondContact O-OG 2.76Å; A104-S106 VanDerWaalsContact C-N 3.3Å; A104-S106 PolarHBondContact O-N 2.96Å
107M86.5Confident88.1Confident11 Ų1149 Ų495%0.05426%0.264CS..Hα-helixtrans-74.1-38.4170.8-167.7-175.1-67.600111.7F64 H67 V68 R70 T71 W103 A104 F105 L110F64-M107 HydrophobicContact CE2-SD 3.83Å; F64-M107 HydrophobicContact CZ-CE 4.43Å; F64-M107 HydrophobicContact CZ-SD 3.92Å; H67-M107 HydrophobicContact CB-CG 4.29Å; V68-M107 HydrophobicContact CG2-CE 3.73Å; V68-M107 HydrophobicContact CG2-SD 4.38Å; R70-M107 PolarHBondContact NH2-O 2.93Å; T71-M107 HydrophobicContact CG2-CB 3.71Å; T71-M107 HydrophobicContact CG2-CG 4.08Å; W103-M107 HydrophobicContact CE3-CE 4.37Å; W103-M107 HydrophobicContact CH2-CE 3.09Å; W103-M107 HydrophobicContact CZ2-CE 3.66Å; W103-M107 HydrophobicContact CZ3-CE 3.5Å; W103-M107 VanDerWaalsContact CZ3-CE 3.5Å; W103-M107 PolarHBondContact O-N 3.37Å; W103-M107 VanDerWaalsContact O-N 3.15Å; A104-M107 WeakPolarHBondContact O-CA 3.46Å; A104-M107 WeakPolarHBondContact O-CB 3.43Å; A104-M107 PolarHBondContact O-N 3.39Å; F105-M107 PolarHBondContact O-N 3.1Å; M107-L110 WeakPolarHBondContact O-CD2 3.34Å
108Y88.9Confident88.7Confident11 Ų1149.7 Ų49.74%0.04326%0.261CS..Hα-helixtrans-80.8-36.3-179-76.9-88.2000113A104 F105 L110 I116 E120 M121 I124 F169 L183A104-Y108 VanDerWaalsContact O-CD2 3.25Å; A104-Y108 WeakPolarHBondContact O-CD2 3.47Å; A104-Y108 PolarHBondContact O-N 2.93Å; F105-Y108 PolarHBondContact O-N 3.1Å; Y108-L110 PolarHBondContact O-N 3.06Å; Y108-L110 VanDerWaalsContact O-N 3.12Å; Y108-I116 VanDerWaalsContact CB-CD1 3.49Å; Y108-I116 HydrophobicContact CG-CD1 4.35Å; Y108-E120 WeakPolarHBondContact O-CB 3.19Å; Y108-M121 HydrophobicContact CD1-CE 4.11Å; Y108-M121 HydrophobicContact CD1-SD 3.45Å; Y108-M121 WeakPolarHBondContact CD1-SD 3.39Å; Y108-M121 HydrophobicContact CE1-CE 4.43Å; Y108-M121 HydrophobicContact CE1-SD 3.34Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.43Å; Y108-M121 HydrophobicContact CG-SD 4.46Å; Y108-I124 HydrophobicContact CD1-CB 3.7Å; Y108-I124 HydrophobicContact CD1-CG1 3.83Å; Y108-I124 HydrophobicContact CD1-CG2 3.88Å; Y108-I124 HydrophobicContact CE1-CB 3.54Å; Y108-I124 HydrophobicContact CE1-CG1 4.18Å; Y108-I124 HydrophobicContact CE1-CG2 3.37Å; Y108-I124 HydrophobicContact CE2-CG2 4.21Å; Y108-I124 HydrophobicContact CG-CG1 4.34Å; Y108-F169 HydrophobicContact CD2-CE2 4.44Å; Y108-F169 HydrophobicContact CD2-CZ 4.3Å; Y108-L183 HydrophobicContact CD2-CD2 4.07Å; Y108-L183 HydrophobicContact CE2-CD2 3.21Å; Y108-L183 WeakPolarHBondContact OH-CD2 3.36Å
109D91Very high89.1Confident16 Ų1651.1 Ų51.19%0.08627%0.268CS..  trans-72.397.5173.6-178.21.5000109F105 G112 N113 G114 I116F105-D109 HydrophobicContact CD1-CB 4.3Å; F105-D109 HydrophobicContact CE1-CB 3.97Å; F105-D109 WeakPolarHBondContact O-CB 3.5Å; F105-D109 PolarHBondContact O-N 3.31Å; D109-G112 WeakPolarHBondContact OD1-CA 3.5Å; D109-G112 PolarHBondContact OD1-N 2.68Å; D109-N113 PolarHBondContact OD1-N 2.79Å; D109-N113 VanDerWaalsContact OD1-N 3.13Å; D109-G114 VanDerWaalsContact OD2-CA 3.28Å; D109-G114 WeakPolarHBondContact OD2-CA 3.45Å; D109-G114 PolarHBondContact OD2-N 3.46Å; D109-I116 HydrophobicContact CB-CG1 4.31Å
110L88.3Confident89.6Confident35 Ų3547.8 Ų47.818%0.18325%0.252CS..SBendtrans-82.1-34-170-54.3-172.6000112.2R70 M107 Y108 E120 E123 I124R70-L110 VanDerWaalsContact NH1-CA 3.27Å; R70-L110 VanDerWaalsContact NH1-CB 3.33Å; R70-L110 PolarHBondContact NH1-O 2.97Å; M107-L110 WeakPolarHBondContact O-CD2 3.34Å; Y108-L110 PolarHBondContact O-N 3.06Å; Y108-L110 VanDerWaalsContact O-N 3.12Å; L110-E120 WeakPolarHBondContact CA-OE1 3.42Å; L110-E120 HydrophobicContact CB-CG 3.92Å; L110-E120 WeakPolarHBondContact CB-OE1 3.26Å; L110-E120 HydrophobicContact CD1-CB 4.16Å; L110-E120 HydrophobicContact CD1-CG 3.91Å; L110-E120 HydrophobicContact CG-CB 3.86Å; L110-E120 HydrophobicContact CG-CG 3.66Å; L110-E120 PolarHBondContact N-OE1 2.94Å; L110-E123 HydrophobicContact CD1-CB 4.17Å; L110-E123 HydrophobicContact CD1-CG 4.22Å; L110-I124 HydrophobicContact CD2-CD1 3.71Å; L110-I124 HydrophobicContact CD2-CG1 4.06Å
111D89.2Confident89.9Confident108 Ų10845 Ų4558%0.57824%0.24SC*.SBendtrans-94.1-8.8-18073.24.2000113.5N113 E120D111-N113 VanDerWaalsContact C-N 3.32Å; D111-N113 WeakPolarHBondContact OD1-CB 3.38Å; D111-N113 PolarHBondContact OD1-N 3.42Å; D111-N113 PolarHBondContact OD1-ND2 3.31Å; D111-N113 PolarHBondContact OD2-ND2 3.13Å; D111-E120 PolarHBondContact N-OE1 3.39Å; D111-E120 VanDerWaalsContact N-OE1 3.13Å
112G88.7Confident90.1Very high58 Ų5846.3 Ų46.360%0.59825%0.247SC*.  trans74.121.9176.900000113.3D109 G114D109-G112 WeakPolarHBondContact OD1-CA 3.5Å; D109-G112 PolarHBondContact OD1-N 2.68Å; G112-G114 PolarHBondContact O-N 2.76Å
113N91.3Very high90.2Very high80 Ų8045 Ų4543%0.42824%0.243SC..SBendtrans-78.3-4.9-177.175.436.1000113.3D109 D111 Y115D109-N113 PolarHBondContact OD1-N 2.79Å; D109-N113 VanDerWaalsContact OD1-N 3.13Å; D111-N113 VanDerWaalsContact C-N 3.32Å; D111-N113 WeakPolarHBondContact OD1-CB 3.38Å; D111-N113 PolarHBondContact OD1-N 3.42Å; D111-N113 PolarHBondContact OD1-ND2 3.31Å; D111-N113 PolarHBondContact OD2-ND2 3.13Å; N113-Y115 WeakPolarHBondContact OD1-CA 3.48Å; N113-Y115 VanDerWaalsContact OD1-CB 3.29Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.28Å; N113-Y115 PolarHBondContact OD1-N 3.02Å; N113-Y115 PolarHBondContact OD1-O 2.95Å
114G92.4Very high90.3Very high33 Ų3342.7 Ų42.734%0.3423%0.234SC..SBendtrans86.78.7-179.300000114.5F105 D109 G112F105-G114 WeakPolarHBondContact CZ-O 3.33Å; D109-G114 VanDerWaalsContact OD2-CA 3.28Å; D109-G114 WeakPolarHBondContact OD2-CA 3.45Å; D109-G114 PolarHBondContact OD2-N 3.46Å; G112-G114 PolarHBondContact O-N 2.76Å
115Y94.9Very high90.3Very high94 Ų9442.5 Ų42.537%0.36923%0.232SC..EExtended strand (participates in β ladder)trans-136.9143.5176.3-59.1-93.8000110N113 K163 L164N113-Y115 WeakPolarHBondContact OD1-CA 3.48Å; N113-Y115 VanDerWaalsContact OD1-CB 3.29Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.28Å; N113-Y115 PolarHBondContact OD1-N 3.02Å; N113-Y115 PolarHBondContact OD1-O 2.95Å; Y115-K163 HydrophobicContact CD1-CD 3.59Å; Y115-K163 HydrophobicContact CD1-CG 4Å; Y115-K163 HydrophobicContact CD2-CD 4.49Å; Y115-K163 HydrophobicContact CE1-CD 4.23Å; Y115-K163 HydrophobicContact CG-CD 3.75Å; Y115-K163 HydrophobicContact CG-CG 4.44Å; Y115-L164 WeakPolarHBondContact CA-O 3.43Å
116I93.9Very high90.1Very high0 Ų045.4 Ų45.40%025%0.246CC..EExtended strand (participates in β ladder)trans-96.3115.3172.9-55.9160000108.6F105 Y108 D109 E120 M121 K163 L164 F169F105-I116 HydrophobicContact CD2-CD1 3.36Å; F105-I116 HydrophobicContact CD2-CG1 3.98Å; F105-I116 HydrophobicContact CE2-CD1 3.43Å; F105-I116 VanDerWaalsContact CE2-CD1 3.43Å; F105-I116 HydrophobicContact CE2-CG1 3.61Å; F105-I116 HydrophobicContact CG-CD1 4.12Å; F105-I116 HydrophobicContact CZ-CD1 4.23Å; F105-I116 HydrophobicContact CZ-CG1 3.93Å; Y108-I116 VanDerWaalsContact CB-CD1 3.49Å; Y108-I116 HydrophobicContact CG-CD1 4.35Å; D109-I116 HydrophobicContact CB-CG1 4.31Å; I116-E120 HydrophobicContact CG2-CB 4.26Å; I116-M121 HydrophobicContact CG2-CB 4.06Å; I116-M121 HydrophobicContact CG2-CE 3.97Å; I116-K163 CarbonylContact O-C 3.47Å; I116-K163 WeakPolarHBondContact O-CA 3.23Å; I116-L164 HydrophobicContact CB-CB 4.26Å; I116-L164 PolarHBondContact N-O 3.28Å; I116-L164 PolarHBondContact O-N 2.83Å; I116-F169 HydrophobicContact CD1-CD2 3.73Å; I116-F169 HydrophobicContact CD1-CE2 3.97Å; I116-F169 HydrophobicContact CD1-CG 4.32Å
117S94.7Very high89.9Confident29 Ų2943.1 Ų43.120%0.20323%0.231CC..EExtended strand (participates in β ladder)trans-76164170.565.80000112E119 E120 M121S117-E119 VanDerWaalsContact C-N 3.26Å; S117-E119 PolarHBondContact O-N 2.94Å; S117-E120 WeakPolarHBondContact CB-OE2 3.37Å; S117-E120 PolarHBondContact N-OE2 2.87Å; S117-E120 PolarHBondContact O-N 2.82Å; S117-E120 WeakPolarHBondContact OG-CB 2.95Å; S117-E120 VanDerWaalsContact OG-CD 3.22Å; S117-E120 WeakPolarHBondContact OG-CG 3.48Å; S117-E120 PolarHBondContact OG-N 3.05Å; S117-E120 PolarHBondContact OG-OE2 3.36Å; S117-M121 PolarHBondContact O-N 2.97Å
118R92.5Very high89.5Confident93 Ų9343 Ų4335%0.35123%0.23SC..Hα-helixtrans-63.8-36.6178.9-174.2171.8174.8-89.41.5111.5L122 T149 D150 F153R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 3.41Å; R118-T149 HydrophobicContact CG-CG2 3.85Å; R118-D150 IonicContact CZ-OD1 2.84Å; R118-D150 IonicContact NE-OD1 3.87Å; R118-D150 PolarHBondContact NE-OD1 3.31Å; R118-D150 IonicContact NH2-OD1 2.75Å; R118-D150 PolarHBondContact NH2-OD1 3.47Å; R118-D150 IonicContact NH2-OD2 2.68Å; R118-D150 PolarHBondContact NH2-OD2 2.8Å; R118-F153 HydrophobicContact CB-CE1 4.34Å; R118-F153 HydrophobicContact CB-CE2 4.26Å; R118-F153 HydrophobicContact CB-CZ 4.05Å; R118-F153 HydrophobicContact CG-CE2 4.47Å
119E93.3Very high89Confident129 Ų12943.7 Ų43.760%0.60323%0.233SC*.Hα-helixtrans-64.2-45.7177.9-66.168.5-148.500111.1S117 L122 E123S117-E119 VanDerWaalsContact C-N 3.26Å; S117-E119 PolarHBondContact O-N 2.94Å; E119-L122 PolarHBondContact O-N 3.44Å; E119-E123 PolarHBondContact O-N 3.26Å
120E92.4Very high88.3Confident13 Ų1348.3 Ų48.36%0.06125%0.252CS..Hα-helixtrans-64.7-43.8178.4-72.1173.2125.800112.3Y108 L110 D111 I116 S117 L122 E123 I124Y108-E120 WeakPolarHBondContact O-CB 3.19Å; L110-E120 WeakPolarHBondContact CA-OE1 3.42Å; L110-E120 HydrophobicContact CB-CG 3.92Å; L110-E120 WeakPolarHBondContact CB-OE1 3.26Å; L110-E120 HydrophobicContact CD1-CB 4.16Å; L110-E120 HydrophobicContact CD1-CG 3.91Å; L110-E120 HydrophobicContact CG-CB 3.86Å; L110-E120 HydrophobicContact CG-CG 3.66Å; L110-E120 PolarHBondContact N-OE1 2.94Å; D111-E120 PolarHBondContact N-OE1 3.39Å; D111-E120 VanDerWaalsContact N-OE1 3.13Å; I116-E120 HydrophobicContact CG2-CB 4.26Å; S117-E120 WeakPolarHBondContact CB-OE2 3.37Å; S117-E120 PolarHBondContact N-OE2 2.87Å; S117-E120 PolarHBondContact O-N 2.82Å; S117-E120 WeakPolarHBondContact OG-CB 2.95Å; S117-E120 VanDerWaalsContact OG-CD 3.22Å; S117-E120 WeakPolarHBondContact OG-CG 3.48Å; S117-E120 PolarHBondContact OG-N 3.05Å; S117-E120 PolarHBondContact OG-OE2 3.36Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.99Å; E120-E123 PolarHBondContact O-N 3.29Å; E120-I124 PolarHBondContact O-N 3.19Å
121M90.1Very high87.6Confident1 Ų146.9 Ų46.91%0.00524%0.244CC..Hα-helixtrans-58.8-46.1173.5-17870.467.600111.5Y108 I116 S117 E123 I124 V125 T149 I152 F153 L164Y108-M121 HydrophobicContact CD1-CE 4.11Å; Y108-M121 HydrophobicContact CD1-SD 3.45Å; Y108-M121 WeakPolarHBondContact CD1-SD 3.39Å; Y108-M121 HydrophobicContact CE1-CE 4.43Å; Y108-M121 HydrophobicContact CE1-SD 3.34Å; Y108-M121 WeakPolarHBondContact CE1-SD 3.43Å; Y108-M121 HydrophobicContact CG-SD 4.46Å; I116-M121 HydrophobicContact CG2-CB 4.06Å; I116-M121 HydrophobicContact CG2-CE 3.97Å; S117-M121 PolarHBondContact O-N 2.97Å; M121-E123 VanDerWaalsContact C-N 3.32Å; M121-E123 PolarHBondContact O-N 3.18Å; M121-I124 PolarHBondContact O-N 3.28Å; M121-V125 HydrophobicContact CG-CG2 4.31Å; M121-V125 WeakPolarHBondContact O-CB 3.24Å; M121-V125 VanDerWaalsContact O-CG2 3.23Å; M121-V125 WeakPolarHBondContact O-CG2 3.4Å; M121-V125 PolarHBondContact O-N 3.23Å; M121-V125 HydrophobicContact SD-CG2 4.31Å; M121-T149 HydrophobicContact CB-CG2 4.01Å; M121-T149 HydrophobicContact CG-CG2 3.76Å; M121-I152 HydrophobicContact CE-CG2 3.81Å; M121-I152 HydrophobicContact SD-CD1 4.12Å; M121-I152 HydrophobicContact SD-CG2 4.22Å; M121-F153 HydrophobicContact CB-CE2 3.68Å; M121-F153 HydrophobicContact CB-CZ 4.46Å; M121-F153 HydrophobicContact CE-CE2 4.28Å; M121-F153 HydrophobicContact CG-CD2 4.45Å; M121-F153 HydrophobicContact CG-CE2 3.9Å; M121-L164 HydrophobicContact CE-CD1 3.69Å
122L90.3Very high86.6Confident31 Ų3142.8 Ų42.816%0.16222%0.223CC..Hα-helixtrans-61.6-41.3-179.8-178.861.6000111.6R118 E119 E120 I124 V125 Q126 P145 E146 T149R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 3.41Å; E119-L122 PolarHBondContact O-N 3.44Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.99Å; L122-I124 PolarHBondContact O-N 3.23Å; L122-V125 PolarHBondContact O-N 3.14Å; L122-Q126 HydrophobicContact CD1-CG 4.08Å; L122-Q126 HydrophobicContact CG-CG 4.28Å; L122-Q126 WeakPolarHBondContact O-CB 3.19Å; L122-Q126 VanDerWaalsContact O-CG 3.24Å; L122-Q126 WeakPolarHBondContact O-CG 3.39Å; L122-Q126 PolarHBondContact O-N 2.95Å; L122-P145 HydrophobicContact CD1-CB 3.77Å; L122-E146 HydrophobicContact CD1-CG 4Å; L122-E146 HydrophobicContact CD2-CG 4.39Å; L122-T149 HydrophobicContact CB-CG2 4.3Å
123E90.1Very high85.4Confident85 Ų8544 Ų4440%0.39722%0.223SC..Hα-helixtrans-59.3-48.3179.2-175.6166.4137.200111.8H67 L110 E119 E120 M121 Q126 A127H67-E123 IonicContact CE1-OE1 2.86Å; H67-E123 PolarHBondContact CE1-OE1 3.11Å; H67-E123 VanDerWaalsContact CE1-OE1 3.28Å; H67-E123 IonicContact NE2-OE1 3.36Å; L110-E123 HydrophobicContact CD1-CB 4.17Å; L110-E123 HydrophobicContact CD1-CG 4.22Å; E119-E123 PolarHBondContact O-N 3.26Å; E120-E123 PolarHBondContact O-N 3.29Å; M121-E123 VanDerWaalsContact C-N 3.32Å; M121-E123 PolarHBondContact O-N 3.18Å; E123-Q126 PolarHBondContact O-N 3.28Å; E123-A127 PolarHBondContact O-N 3.13Å
124I86.6Confident83.7Confident0 Ų043.7 Ų43.70%023%0.227CC..Hα-helixtrans-65.7-44.8177.4-59.9-55000111.2H67 Y108 L110 E120 M121 L122 Q126 A127 I128H67-I124 HydrophobicContact CB-CD1 3.83Å; H67-I124 WeakPolarHBondContact CD2-CD1 3.48Å; Y108-I124 HydrophobicContact CD1-CB 3.7Å; Y108-I124 HydrophobicContact CD1-CG1 3.83Å; Y108-I124 HydrophobicContact CD1-CG2 3.88Å; Y108-I124 HydrophobicContact CE1-CB 3.54Å; Y108-I124 HydrophobicContact CE1-CG1 4.18Å; Y108-I124 HydrophobicContact CE1-CG2 3.37Å; Y108-I124 HydrophobicContact CE2-CG2 4.21Å; Y108-I124 HydrophobicContact CG-CG1 4.34Å; L110-I124 HydrophobicContact CD2-CD1 3.71Å; L110-I124 HydrophobicContact CD2-CG1 4.06Å; E120-I124 PolarHBondContact O-N 3.19Å; M121-I124 PolarHBondContact O-N 3.28Å; L122-I124 PolarHBondContact O-N 3.23Å; I124-Q126 VanDerWaalsContact C-N 3.3Å; I124-Q126 PolarHBondContact O-N 3.41Å; I124-A127 WeakPolarHBondContact O-CB 3.18Å; I124-A127 PolarHBondContact O-N 3.35Å; I124-A127 VanDerWaalsContact O-N 3.14Å; I124-I128 HydrophobicContact CG2-CD1 3.94Å; I124-I128 HydrophobicContact CG2-CG1 4.43Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 3.14Å
125V84.3Confident81.9Confident2 Ų246.2 Ų46.21%0.01224%0.235CC..Hα-helixtrans-61.5-40.7178.8175.70000110.6M121 L122 A127 I128 Y129 P145 R148M121-V125 HydrophobicContact CG-CG2 4.31Å; M121-V125 WeakPolarHBondContact O-CB 3.24Å; M121-V125 VanDerWaalsContact O-CG2 3.23Å; M121-V125 WeakPolarHBondContact O-CG2 3.4Å; M121-V125 PolarHBondContact O-N 3.23Å; M121-V125 HydrophobicContact SD-CG2 4.31Å; L122-V125 PolarHBondContact O-N 3.14Å; V125-A127 PolarHBondContact O-N 3.04Å; V125-I128 PolarHBondContact O-N 3.27Å; V125-Y129 HydrophobicContact CG1-CD2 3.82Å; V125-Y129 HydrophobicContact CG1-CE2 3.68Å; V125-Y129 WeakPolarHBondContact O-CD2 3.32Å; V125-Y129 PolarHBondContact O-N 2.66Å; V125-P145 HydrophobicContact CG1-CB 3.9Å; V125-R148 HydrophobicContact CG1-CB 4.38Å; V125-R148 HydrophobicContact CG1-CG 4.35Å
126Q85.6Confident80.3Confident74 Ų7444.1 Ų44.135%0.34623%0.23SC..Hα-helixtrans-62.5-41.3174.7-76.5179-300112.2L122 E123 I124 Y129 K130 P145 E146L122-Q126 HydrophobicContact CD1-CG 4.08Å; L122-Q126 HydrophobicContact CG-CG 4.28Å; L122-Q126 WeakPolarHBondContact O-CB 3.19Å; L122-Q126 VanDerWaalsContact O-CG 3.24Å; L122-Q126 WeakPolarHBondContact O-CG 3.39Å; L122-Q126 PolarHBondContact O-N 2.95Å; E123-Q126 PolarHBondContact O-N 3.28Å; I124-Q126 VanDerWaalsContact C-N 3.3Å; I124-Q126 PolarHBondContact O-N 3.41Å; Q126-Y129 PolarHBondContact O-N 2.93Å; Q126-K130 WeakPolarHBondContact O-CG 3.47Å; Q126-K130 PolarHBondContact O-N 3.01Å; Q126-P145 HydrophobicContact CB-CB 4.48Å; Q126-P145 HydrophobicContact CG-CB 3.54Å; Q126-P145 HydrophobicContact CG-CG 3.8Å; Q126-E146 PolarHBondContact NE2-OE1 2.75Å
127A83Confident78.6Confident3 Ų354.1 Ų54.13%0.02527%0.273CS..Hα-helixtrans-62.1-44.1175.800000111.6K63 F64 E123 I124 V125 K130 M131K63-A127 HydrophobicContact CB-CB 4.17Å; F64-A127 HydrophobicContact CB-CB 4.47Å; E123-A127 PolarHBondContact O-N 3.13Å; I124-A127 WeakPolarHBondContact O-CB 3.18Å; I124-A127 PolarHBondContact O-N 3.35Å; I124-A127 VanDerWaalsContact O-N 3.14Å; V125-A127 PolarHBondContact O-N 3.04Å; A127-K130 PolarHBondContact O-N 3.41Å; A127-M131 PolarHBondContact O-N 2.92Å
128I78.8Confident77Confident9 Ų955.4 Ų55.45%0.04628%0.276CS..Hα-helixtrans-61.1-46.8175.2-65.7167.5000110.4F64 I124 V125 K130 M131 V132F64-I128 HydrophobicContact CD2-CG1 3.8Å; F64-I128 HydrophobicContact CE2-CD1 4.1Å; F64-I128 HydrophobicContact CE2-CG1 3.62Å; I124-I128 HydrophobicContact CG2-CD1 3.94Å; I124-I128 HydrophobicContact CG2-CG1 4.43Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 3.14Å; V125-I128 PolarHBondContact O-N 3.27Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 3.28Å; I128-M131 WeakPolarHBondContact O-CB 3.34Å; I128-M131 PolarHBondContact O-N 3.12Å; I128-M131 VanDerWaalsContact O-N 3.08Å; I128-V132 HydrophobicContact CG2-CG1 4.29Å; I128-V132 HydrophobicContact CG2-CG2 4.39Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.32Å; I128-V132 PolarHBondContact O-N 3.19Å
129Y76.9Confident75.6Confident25 Ų2554 Ų5410%0.09828%0.279CS..Hα-helixtrans-60-42.1179.2-89.3-121.4000111.7V125 Q126 M131 V132 S133 M138 E142 P145 R148V125-Y129 HydrophobicContact CG1-CD2 3.82Å; V125-Y129 HydrophobicContact CG1-CE2 3.68Å; V125-Y129 WeakPolarHBondContact O-CD2 3.32Å; V125-Y129 PolarHBondContact O-N 2.66Å; Q126-Y129 PolarHBondContact O-N 2.93Å; Y129-M131 VanDerWaalsContact C-N 3.31Å; Y129-M131 PolarHBondContact O-N 3.12Å; Y129-V132 PolarHBondContact O-N 3.28Å; Y129-S133 WeakPolarHBondContact O-CA 3.43Å; Y129-S133 WeakPolarHBondContact O-CB 3.45Å; Y129-S133 PolarHBondContact O-N 3.44Å; Y129-S133 PolarHBondContact O-OG 3.1Å; Y129-S133 VanDerWaalsContact O-OG 3.05Å; Y129-M138 HydrophobicContact CE1-CG 4.13Å; Y129-E142 WeakPolarHBondContact CE1-O 3.26Å; Y129-E142 PolarHBondContact OH-O 2.98Å; Y129-P145 HydrophobicContact CD1-CG 3.9Å; Y129-P145 HydrophobicContact CD2-CG 4.36Å; Y129-P145 HydrophobicContact CE1-CG 4.44Å; Y129-P145 HydrophobicContact CG-CG 3.85Å; Y129-R148 WeakPolarHBondContact OH-CD 3.48Å; Y129-R148 PolarHBondContact OH-NH1 3.5Å
130K78Confident74.1Confident112 Ų11256.4 Ų56.449%0.48729%0.291SS..Hα-helixtrans-62.1-39.9174.7-74.1-179178.8-177.50112.1Q126 A127 I128 S133Q126-K130 WeakPolarHBondContact O-CG 3.47Å; Q126-K130 PolarHBondContact O-N 3.01Å; A127-K130 PolarHBondContact O-N 3.41Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 3.28Å; K130-S133 PolarHBondContact O-OG 3.08Å
131M72.5Confident72.6Confident5 Ų560.1 Ų60.13%0.02531%0.311CS..Hα-helixtrans-67.5-42.2178.1-174.4-179.571.300112.8F56 G59 A61 F64 A127 I128 Y129F56-M131 HydrophobicContact CD1-SD 4.24Å; F56-M131 HydrophobicContact CE1-CE 4.41Å; F56-M131 HydrophobicContact CE1-SD 4.48Å; F56-M131 HydrophobicContact CG-SD 4.25Å; G59-M131 WeakPolarHBondContact CA-O 3.5Å; A61-M131 HydrophobicContact CB-CG 4.11Å; A61-M131 HydrophobicContact CB-SD 4.12Å; F64-M131 HydrophobicContact CB-SD 4.09Å; F64-M131 HydrophobicContact CD1-CE 4.04Å; F64-M131 HydrophobicContact CD1-SD 3.71Å; F64-M131 HydrophobicContact CE1-CE 4.26Å; F64-M131 HydrophobicContact CE1-SD 4.44Å; F64-M131 HydrophobicContact CG-CE 4.37Å; F64-M131 HydrophobicContact CG-SD 4.05Å; A127-M131 PolarHBondContact O-N 2.92Å; I128-M131 WeakPolarHBondContact O-CB 3.34Å; I128-M131 PolarHBondContact O-N 3.12Å; I128-M131 VanDerWaalsContact O-N 3.08Å; Y129-M131 VanDerWaalsContact C-N 3.31Å; Y129-M131 PolarHBondContact O-N 3.12Å
132V69.2Low71.4Confident22 Ų2261 Ų6113%0.13332%0.315CS..Hα-helixtrans-99.1-11-173-530000114.7I128 Y129 S134 V135 M136 M138I128-V132 HydrophobicContact CG2-CG1 4.29Å; I128-V132 HydrophobicContact CG2-CG2 4.39Å; I128-V132 VanDerWaalsContact O-CG2 3.31Å; I128-V132 WeakPolarHBondContact O-CG2 3.32Å; I128-V132 PolarHBondContact O-N 3.19Å; Y129-V132 PolarHBondContact O-N 3.28Å; V132-S134 PolarHBondContact O-N 3.15Å; V132-V135 PolarHBondContact O-N 2.86Å; V132-M136 HydrophobicContact CB-CB 4.5Å; V132-M136 HydrophobicContact CB-CG 4.41Å; V132-M136 HydrophobicContact CB-SD 4.01Å; V132-M136 HydrophobicContact CG1-SD 4.32Å; V132-M136 HydrophobicContact CG2-SD 4.23Å; V132-M136 PolarHBondContact O-N 2.92Å; V132-M138 HydrophobicContact CG2-CE 3.38Å
133S62.1Low70.4Confident85 Ų8562.2 Ų62.259%0.59433%0.326SS*.THydrogen-bonded Turntrans-59-22.7-174.852.40000114.4Y129 K130Y129-S133 WeakPolarHBondContact O-CA 3.43Å; Y129-S133 WeakPolarHBondContact O-CB 3.45Å; Y129-S133 PolarHBondContact O-N 3.44Å; Y129-S133 PolarHBondContact O-OG 3.1Å; Y129-S133 VanDerWaalsContact O-OG 3.05Å; K130-S133 PolarHBondContact O-OG 3.08Å
134S55.9Low70Confident72 Ų7260.4 Ų60.450%0.50332%0.321SS..THydrogen-bonded Turntrans-82.3-14.4174.951.40000114.1Y58 V132Y58-S134 VanDerWaalsContact O-CB 3.27Å; Y58-S134 WeakPolarHBondContact O-CB 3.45Å; Y58-S134 PolarHBondContact O-OG 3.38Å; V132-S134 PolarHBondContact O-N 3.15Å
135V55.2Low69.8Low86 Ų8661.5 Ų61.552%0.52133%0.328SS..THydrogen-bonded Turntrans-122.8-25.2-168.9-168.80000113.2V132V132-V135 PolarHBondContact O-N 2.86Å
136M60.5Low70Confident51 Ų5165 Ų6525%0.25134%0.344SS..  trans-119.6133.1-174.2-72.5-179.3163.200113V132 M138 A190V132-M136 HydrophobicContact CB-CB 4.5Å; V132-M136 HydrophobicContact CB-CG 4.41Å; V132-M136 HydrophobicContact CB-SD 4.01Å; V132-M136 HydrophobicContact CG1-SD 4.32Å; V132-M136 HydrophobicContact CG2-SD 4.23Å; V132-M136 PolarHBondContact O-N 2.92Å; M136-M138 HydrophobicContact CB-CE 3.98Å; M136-M138 HydrophobicContact SD-CE 3.97Å; M136-A190 HydrophobicContact CE-CB 3.45Å; M136-A190 VanDerWaalsContact CE-CB 3.45Å
137K58.7Low70Confident209 Ų20966.6 Ų66.691%0.90935%0.35SS*.  trans-85.4114.6163.7-76.8-174.4178.1179.80109.3
138M61.3Low70Confident56 Ų5666.9 Ų66.928%0.27635%0.351SS..  trans-81.8147.1177.3-64.4-65.417200111.3Y129 V132 M136Y129-M138 HydrophobicContact CE1-CG 4.13Å; V132-M138 HydrophobicContact CG2-CE 3.38Å; M136-M138 HydrophobicContact CB-CE 3.98Å; M136-M138 HydrophobicContact SD-CE 3.97Å
139P63.2Low70.4Confident63 Ų6366.5 Ų66.541%0.40935%0.348SS..  trans-56.8152169.6-23.333.8000112.6D141 E142 S143P139-D141 VanDerWaalsContact C-N 3.28Å; P139-D141 WeakPolarHBondContact CB-OD1 3.48Å; P139-D141 PolarHBondContact O-N 3.43Å; P139-E142 CarbonylContact O-C 3.57Å; P139-E142 VanDerWaalsContact O-C 3.28Å; P139-E142 PolarHBondContact O-N 3.47Å; P139-S143 PolarHBondContact O-N 3.26Å
140E61Low71Confident181 Ų18168.6 Ų68.685%0.84636%0.362SS*.G310 helixtrans-61.8-32.5-178.5-77.1-173.314900113.6E142 S143E140-E142 PolarHBondContact O-N 2.96Å; E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.28Å; E140-S143 PolarHBondContact O-N 3.41Å; E140-S143 PolarHBondContact O-OG 3.25Å
141D60.6Low71.3Confident90 Ų9066.1 Ų66.148%0.48135%0.351SS..G310 helixtrans-72.7-15.217764.4-52.5000113P139 K151P139-D141 VanDerWaalsContact C-N 3.28Å; P139-D141 WeakPolarHBondContact CB-OD1 3.48Å; P139-D141 PolarHBondContact O-N 3.43Å; D141-K151 IonicContact OD2-NZ 4Å; D141-K151 PolarHBondContact OD2-NZ 3.09Å
142E65.4Low71.9Confident19 Ų1966.6 Ų66.69%0.08935%0.353CS..G310 helixtrans-120.323175.8-65179.3-178.600111.2Y129 P139 E140 T144 K151Y129-E142 WeakPolarHBondContact CE1-O 3.26Å; Y129-E142 PolarHBondContact OH-O 2.98Å; P139-E142 CarbonylContact O-C 3.57Å; P139-E142 VanDerWaalsContact O-C 3.28Å; P139-E142 PolarHBondContact O-N 3.47Å; E140-E142 PolarHBondContact O-N 2.96Å; E142-T144 PolarHBondContact O-N 3.01Å; E142-T144 VanDerWaalsContact O-N 3.07Å; E142-K151 HydrophobicContact CG-CD 4.35Å; E142-K151 IonicContact OE1-NZ 3.15Å; E142-K151 PolarHBondContact OE1-NZ 3.34Å
143S70.1Confident72.9Confident58 Ų5866.4 Ų66.441%0.40635%0.351SS..SBendtrans-60.8-21-176.344.50000114.3P139 E140 K147P139-S143 PolarHBondContact O-N 3.26Å; E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.28Å; E140-S143 PolarHBondContact O-N 3.41Å; E140-S143 PolarHBondContact O-OG 3.25Å; S143-K147 PolarHBondContact OG-NZ 3.41Å
144T81.7Confident74.1Confident47 Ų4773.1 Ų73.129%0.28836%0.363SS..SBendtrans-133.1145.8-177.760.20000110.9E142 E146 K147 R148E142-T144 PolarHBondContact O-N 3.01Å; E142-T144 VanDerWaalsContact O-N 3.07Å; T144-E146 WeakPolarHBondContact CB-OE2 3.5Å; T144-E146 PolarHBondContact O-N 3.44Å; T144-E146 VanDerWaalsContact O-N 3.16Å; T144-K147 PolarHBondContact O-N 3.43Å; T144-K147 WeakPolarHBondContact OG1-CB 3.49Å; T144-K147 WeakPolarHBondContact OG1-CD 3.33Å; T144-K147 VanDerWaalsContact OG1-CG 3.23Å; T144-K147 WeakPolarHBondContact OG1-CG 3.11Å; T144-K147 PolarHBondContact OG1-N 2.98Å; T144-R148 PolarHBondContact O-N 3Å
145P82.9Confident75.5Confident22 Ų2273.6 Ų73.614%0.14336%0.357CS..Hα-helixtrans-50.7-37.1173.8-28.937000114.1L122 V125 Q126 Y129 R148 T149L122-P145 HydrophobicContact CD1-CB 3.77Å; V125-P145 HydrophobicContact CG1-CB 3.9Å; Q126-P145 HydrophobicContact CB-CB 4.48Å; Q126-P145 HydrophobicContact CG-CB 3.54Å; Q126-P145 HydrophobicContact CG-CG 3.8Å; Y129-P145 HydrophobicContact CD1-CG 3.9Å; Y129-P145 HydrophobicContact CD2-CG 4.36Å; Y129-P145 HydrophobicContact CE1-CG 4.44Å; Y129-P145 HydrophobicContact CG-CG 3.85Å; P145-R148 PolarHBondContact O-N 2.83Å; P145-T149 WeakPolarHBondContact O-CB 3Å; P145-T149 PolarHBondContact O-N 3.14Å; P145-T149 PolarHBondContact O-OG1 3.39Å
146E88.1Confident77.1Confident75 Ų7569.5 Ų69.535%0.3533%0.333SS..Hα-helixtrans-67.2-53.6-177.8-63.372.7-161.700111.5L122 Q126 T144 R148 T149 D150L122-E146 HydrophobicContact CD1-CG 4Å; L122-E146 HydrophobicContact CD2-CG 4.39Å; Q126-E146 PolarHBondContact NE2-OE1 2.75Å; T144-E146 WeakPolarHBondContact CB-OE2 3.5Å; T144-E146 PolarHBondContact O-N 3.44Å; T144-E146 VanDerWaalsContact O-N 3.16Å; E146-R148 PolarHBondContact O-N 2.93Å; E146-T149 WeakPolarHBondContact O-CB 3.34Å; E146-T149 PolarHBondContact O-N 2.86Å; E146-T149 VanDerWaalsContact O-N 3.11Å; E146-D150 PolarHBondContact O-N 2.94Å
147K84.9Confident78.6Confident109 Ų10967.9 Ų67.947%0.47433%0.325SS..Hα-helixtrans-55.1-38.9175.5-72.9177.2-177.1175.90112.3S143 T144 D150 K151S143-K147 PolarHBondContact OG-NZ 3.41Å; T144-K147 PolarHBondContact O-N 3.43Å; T144-K147 WeakPolarHBondContact OG1-CB 3.49Å; T144-K147 WeakPolarHBondContact OG1-CD 3.33Å; T144-K147 VanDerWaalsContact OG1-CG 3.23Å; T144-K147 WeakPolarHBondContact OG1-CG 3.11Å; T144-K147 PolarHBondContact OG1-N 2.98Å; K147-D150 PolarHBondContact O-N 3.4Å; K147-K151 WeakPolarHBondContact O-CB 3.22Å; K147-K151 PolarHBondContact O-N 3.48Å
148R82.9Confident80.1Confident9 Ų962.4 Ų62.43%0.03431%0.305CS..Hα-helixtrans-69.6-43.1178.4-177.6162.1166.6174.6-11.4112V125 Y129 T144 P145 E146 D150 K151 I152 L182V125-R148 HydrophobicContact CG1-CB 4.38Å; V125-R148 HydrophobicContact CG1-CG 4.35Å; Y129-R148 WeakPolarHBondContact OH-CD 3.48Å; Y129-R148 PolarHBondContact OH-NH1 3.5Å; T144-R148 PolarHBondContact O-N 3Å; P145-R148 PolarHBondContact O-N 2.83Å; E146-R148 PolarHBondContact O-N 2.93Å; R148-D150 VanDerWaalsContact C-N 3.31Å; R148-D150 PolarHBondContact O-N 3.35Å; R148-K151 PolarHBondContact O-N 3.21Å; R148-I152 HydrophobicContact CG-CD1 4.17Å; R148-I152 VanDerWaalsContact O-CG1 3.3Å; R148-I152 WeakPolarHBondContact O-CG1 3.47Å; R148-I152 PolarHBondContact O-N 3.36Å; R148-L182 VanDerWaalsContact CZ-CD2 3.48Å
149T87.9Confident81.6Confident0 Ų064 Ų640%031%0.314CS..Hα-helixtrans-57.5-46.2173.3-58.10000110.5R118 M121 L122 P145 E146 K151 I152 F153R118-T149 HydrophobicContact CG-CG2 3.85Å; M121-T149 HydrophobicContact CB-CG2 4.01Å; M121-T149 HydrophobicContact CG-CG2 3.76Å; L122-T149 HydrophobicContact CB-CG2 4.3Å; P145-T149 WeakPolarHBondContact O-CB 3Å; P145-T149 PolarHBondContact O-N 3.14Å; P145-T149 PolarHBondContact O-OG1 3.39Å; E146-T149 WeakPolarHBondContact O-CB 3.34Å; E146-T149 PolarHBondContact O-N 2.86Å; E146-T149 VanDerWaalsContact O-N 3.11Å; T149-K151 VanDerWaalsContact C-N 3.34Å; T149-K151 PolarHBondContact O-N 3.03Å; T149-I152 PolarHBondContact O-N 3.49Å; T149-F153 HydrophobicContact CG2-CD2 4.1Å; T149-F153 HydrophobicContact CG2-CE2 4.26Å; T149-F153 WeakPolarHBondContact O-CD2 3.44Å; T149-F153 PolarHBondContact O-N 2.84Å
150D88.4Confident82.9Confident70 Ų7067.3 Ų67.337%0.37433%0.329SS..Hα-helixtrans-63.4-38.7178.8-69.6-25.2000112.8R118 E146 K147 R148 R154R118-D150 IonicContact CZ-OD1 2.84Å; R118-D150 IonicContact NE-OD1 3.87Å; R118-D150 PolarHBondContact NE-OD1 3.31Å; R118-D150 IonicContact NH2-OD1 2.75Å; R118-D150 PolarHBondContact NH2-OD1 3.47Å; R118-D150 IonicContact NH2-OD2 2.68Å; R118-D150 PolarHBondContact NH2-OD2 2.8Å; E146-D150 PolarHBondContact O-N 2.94Å; K147-D150 PolarHBondContact O-N 3.4Å; R148-D150 VanDerWaalsContact C-N 3.31Å; R148-D150 PolarHBondContact O-N 3.35Å; D150-R154 VanDerWaalsContact O-CB 3.31Å; D150-R154 WeakPolarHBondContact O-CB 3.38Å; D150-R154 PolarHBondContact O-N 3.17Å
151K84.9Confident84.4Confident60 Ų6062.1 Ų62.126%0.26131%0.307SS..Hα-helixtrans-63.2-45175.5-173.9178.1178.4-177.30111.3D141 E142 K147 R148 T149 R154 Q155D141-K151 IonicContact OD2-NZ 4Å; D141-K151 PolarHBondContact OD2-NZ 3.09Å; E142-K151 HydrophobicContact CG-CD 4.35Å; E142-K151 IonicContact OE1-NZ 3.15Å; E142-K151 PolarHBondContact OE1-NZ 3.34Å; K147-K151 WeakPolarHBondContact O-CB 3.22Å; K147-K151 PolarHBondContact O-N 3.48Å; R148-K151 PolarHBondContact O-N 3.21Å; T149-K151 VanDerWaalsContact C-N 3.34Å; T149-K151 PolarHBondContact O-N 3.03Å; K151-R154 PolarHBondContact O-N 3.41Å; K151-Q155 WeakPolarHBondContact O-CG 3.29Å; K151-Q155 PolarHBondContact O-N 3.39Å
152I85.8Confident85.8Confident15 Ų1559.9 Ų59.98%0.07731%0.305CS..Hα-helixtrans-59.7-52177-68.9168000110.1M121 R148 T149 R154 Q155 M156 L164M121-I152 HydrophobicContact CE-CG2 3.81Å; M121-I152 HydrophobicContact SD-CD1 4.12Å; M121-I152 HydrophobicContact SD-CG2 4.22Å; R148-I152 HydrophobicContact CG-CD1 4.17Å; R148-I152 VanDerWaalsContact O-CG1 3.3Å; R148-I152 WeakPolarHBondContact O-CG1 3.47Å; R148-I152 PolarHBondContact O-N 3.36Å; T149-I152 PolarHBondContact O-N 3.49Å; I152-R154 PolarHBondContact O-N 3.23Å; I152-Q155 PolarHBondContact O-N 3.17Å; I152-Q155 VanDerWaalsContact O-N 3.12Å; I152-M156 HydrophobicContact CG2-CG 4.25Å; I152-M156 HydrophobicContact CG2-SD 3.48Å; I152-M156 WeakPolarHBondContact CG2-SD 3.3Å; I152-M156 WeakPolarHBondContact O-CB 3.31Å; I152-M156 VanDerWaalsContact O-CG 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.44Å; I152-M156 PolarHBondContact O-N 2.84Å; I152-L164 HydrophobicContact CG2-CD1 4.3Å
153F89.4Confident87.2Confident18 Ų1862.4 Ų62.48%0.07932%0.316CS..Hα-helixtrans-61-45.1180-91.4-100.2000112.2R118 M121 T149 Q155 M156 D157 G162 L164R118-F153 HydrophobicContact CB-CE1 4.34Å; R118-F153 HydrophobicContact CB-CE2 4.26Å; R118-F153 HydrophobicContact CB-CZ 4.05Å; R118-F153 HydrophobicContact CG-CE2 4.47Å; M121-F153 HydrophobicContact CB-CE2 3.68Å; M121-F153 HydrophobicContact CB-CZ 4.46Å; M121-F153 HydrophobicContact CE-CE2 4.28Å; M121-F153 HydrophobicContact CG-CD2 4.45Å; M121-F153 HydrophobicContact CG-CE2 3.9Å; T149-F153 HydrophobicContact CG2-CD2 4.1Å; T149-F153 HydrophobicContact CG2-CE2 4.26Å; T149-F153 WeakPolarHBondContact O-CD2 3.44Å; T149-F153 PolarHBondContact O-N 2.84Å; F153-Q155 PolarHBondContact O-N 3.41Å; F153-Q155 VanDerWaalsContact O-N 3.12Å; F153-M156 PolarHBondContact O-N 3.31Å; F153-D157 HydrophobicContact CD1-CB 4.33Å; F153-D157 WeakPolarHBondContact O-CB 3.41Å; F153-D157 PolarHBondContact O-N 3.41Å; F153-G162 WeakPolarHBondContact CE1-O 3.43Å; F153-L164 HydrophobicContact CD1-CD2 4.38Å; F153-L164 HydrophobicContact CD1-CG 4.33Å; F153-L164 HydrophobicContact CD2-CD1 4.49Å; F153-L164 HydrophobicContact CE1-CD2 4.39Å; F153-L164 HydrophobicContact CE1-CG 3.93Å; F153-L164 HydrophobicContact CE2-CD1 4.18Å; F153-L164 HydrophobicContact CE2-CG 4.42Å; F153-L164 HydrophobicContact CZ-CD1 4.2Å; F153-L164 HydrophobicContact CZ-CG 3.97Å
154R87.8Confident88.3Confident226 Ų22659.6 Ų59.685%0.85330%0.296SS*.Hα-helixtrans-58.4-29.6177.2178.2177.7-83.5174.9-4.7113.2D150 K151 I152D150-R154 VanDerWaalsContact O-CB 3.31Å; D150-R154 WeakPolarHBondContact O-CB 3.38Å; D150-R154 PolarHBondContact O-N 3.17Å; K151-R154 PolarHBondContact O-N 3.41Å; I152-R154 PolarHBondContact O-N 3.23Å
155Q85.3Confident89Confident81 Ų8158.5 Ų58.538%0.37929%0.291SS..Hα-helixtrans-90-32.6-178.7-71.8178.1-24.600113.3K151 I152 F153K151-Q155 WeakPolarHBondContact O-CG 3.29Å; K151-Q155 PolarHBondContact O-N 3.39Å; I152-Q155 PolarHBondContact O-N 3.17Å; I152-Q155 VanDerWaalsContact O-N 3.12Å; F153-Q155 PolarHBondContact O-N 3.41Å; F153-Q155 VanDerWaalsContact O-N 3.12Å
156M88.4Confident89.4Confident1 Ų160.3 Ų60.31%0.00530%0.299CS..Hα-helixtrans-104.2-30.9-170.2-56.8-175.499.100113.6I152 F153 L158 L164 E168 F169 A173 I179I152-M156 HydrophobicContact CG2-CG 4.25Å; I152-M156 HydrophobicContact CG2-SD 3.48Å; I152-M156 WeakPolarHBondContact CG2-SD 3.3Å; I152-M156 WeakPolarHBondContact O-CB 3.31Å; I152-M156 VanDerWaalsContact O-CG 3.3Å; I152-M156 WeakPolarHBondContact O-CG 3.44Å; I152-M156 PolarHBondContact O-N 2.84Å; F153-M156 PolarHBondContact O-N 3.31Å; M156-L158 PolarHBondContact O-N 3.36Å; M156-L164 HydrophobicContact CB-CD1 4.09Å; M156-L164 HydrophobicContact CB-CD2 3.65Å; M156-L164 HydrophobicContact SD-CD1 4.13Å; M156-E168 WeakPolarHBondContact O-CB 3.46Å; M156-F169 HydrophobicContact CE-CB 4.47Å; M156-F169 HydrophobicContact CE-CD2 3.95Å; M156-F169 HydrophobicContact CE-CG 4.24Å; M156-F169 WeakPolarHBondContact CE-O 3.2Å; M156-F169 HydrophobicContact SD-CD2 4.39Å; M156-A173 HydrophobicContact CE-CB 4.19Å; M156-A173 VanDerWaalsContact CE-N 3.25Å; M156-I179 HydrophobicContact CE-CD1 4.38Å; M156-I179 HydrophobicContact CE-CG2 4.06Å; M156-I179 HydrophobicContact CG-CD1 4.04Å; M156-I179 HydrophobicContact SD-CD1 4.04Å; M156-I179 HydrophobicContact SD-CG2 4.27Å
157D91.9Very high89.6Confident16 Ų1664.4 Ų64.49%0.08632%0.318CS..  trans-7788.9178.4-175.7-0.9000109.4F153 N159 N160 D161 G162 L164F153-D157 HydrophobicContact CD1-CB 4.33Å; F153-D157 WeakPolarHBondContact O-CB 3.41Å; F153-D157 PolarHBondContact O-N 3.41Å; D157-N159 PolarHBondContact OD1-OD1 3.01Å; D157-N160 WeakPolarHBondContact OD1-CA 3.23Å; D157-N160 PolarHBondContact OD1-N 3.27Å; D157-N160 WeakPolarHBondContact OD2-CA 3.48Å; D157-D161 PolarHBondContact OD1-N 3.45Å; D157-G162 WeakPolarHBondContact OD2-CA 3.42Å; D157-G162 PolarHBondContact OD2-N 2.61Å; D157-L164 HydrophobicContact CB-CD2 3.74Å
158L90.2Very high90Very high95 Ų9559.9 Ų59.950%0.49730%0.298SS..SBendtrans-78.4-30.5-174.2-63.1-177.6000111.9M156 E168 K171M156-L158 PolarHBondContact O-N 3.36Å; L158-E168 HydrophobicContact CB-CG 4.47Å; L158-E168 HydrophobicContact CG-CG 4.43Å; L158-E168 PolarHBondContact N-OE1 3.33Å; L158-K171 HydrophobicContact CD1-CD 3.87Å
159N92Very high90.3Very high88 Ų8859.4 Ų59.447%0.47130%0.297SS..SBendtrans-92.8-11.9-176.375.442.7000112.5D157 D161 E168D157-N159 PolarHBondContact OD1-OD1 3.01Å; N159-D161 VanDerWaalsContact C-N 3.35Å; N159-D161 PolarHBondContact ND2-OD2 2.84Å; N159-D161 WeakPolarHBondContact OD1-CA 3.38Å; N159-D161 WeakPolarHBondContact OD1-CB 3.34Å; N159-D161 PolarHBondContact OD1-N 2.6Å; N159-D161 PolarHBondContact OD1-OD1 2.97Å; N159-D161 PolarHBondContact OD1-OD2 3.49Å; N159-E168 VanDerWaalsContact CG-OE1 3.27Å; N159-E168 PolarHBondContact N-OE1 2.56Å; N159-E168 PolarHBondContact ND2-OE1 2.94Å
160N91.4Very high90.3Very high133 Ų13360.6 Ų60.671%0.71130%0.302SS*.  trans60.735.8-179.2-56.6-91.5000113.8D157 G162D157-N160 WeakPolarHBondContact OD1-CA 3.23Å; D157-N160 PolarHBondContact OD1-N 3.27Å; D157-N160 WeakPolarHBondContact OD2-CA 3.48Å; N160-G162 VanDerWaalsContact C-N 3.28Å
161D92.6Very high90.4Very high73 Ų7363.2 Ų63.239%0.3931%0.311SS..SBendtrans-85.1-2.1174.771.72.6000113.1D157 N159 K163D157-D161 PolarHBondContact OD1-N 3.45Å; N159-D161 VanDerWaalsContact C-N 3.35Å; N159-D161 PolarHBondContact ND2-OD2 2.84Å; N159-D161 WeakPolarHBondContact OD1-CA 3.38Å; N159-D161 WeakPolarHBondContact OD1-CB 3.34Å; N159-D161 PolarHBondContact OD1-N 2.6Å; N159-D161 PolarHBondContact OD1-OD1 2.97Å; N159-D161 PolarHBondContact OD1-OD2 3.49Å; D161-K163 VanDerWaalsContact C-N 3.33Å; D161-K163 HydrophobicContact CB-CG 4.49Å; D161-K163 VanDerWaalsContact CG-CG 3.41Å; D161-K163 WeakPolarHBondContact OD1-CG 3.24Å; D161-K163 PolarHBondContact OD1-N 3.15Å; D161-K163 WeakPolarHBondContact OD2-CE 3.47Å; D161-K163 WeakPolarHBondContact OD2-CG 3.34Å
162G90.8Very high90.4Very high43 Ų4360.8 Ų60.844%0.44330%0.303SS..SBendtrans80.512.3176.700000114F153 D157 N160F153-G162 WeakPolarHBondContact CE1-O 3.43Å; D157-G162 WeakPolarHBondContact OD2-CA 3.42Å; D157-G162 PolarHBondContact OD2-N 2.61Å; N160-G162 VanDerWaalsContact C-N 3.28Å
163K94Very high90.4Very high71 Ų7160 Ų6031%0.30930%0.299SS..EExtended strand (participates in β ladder)trans-140.6158.7176.255.9-179.8-175.3166.80109.8Y115 I116 D161Y115-K163 HydrophobicContact CD1-CD 3.59Å; Y115-K163 HydrophobicContact CD1-CG 4Å; Y115-K163 HydrophobicContact CD2-CD 4.49Å; Y115-K163 HydrophobicContact CE1-CD 4.23Å; Y115-K163 HydrophobicContact CG-CD 3.75Å; Y115-K163 HydrophobicContact CG-CG 4.44Å; I116-K163 CarbonylContact O-C 3.47Å; I116-K163 WeakPolarHBondContact O-CA 3.23Å; D161-K163 VanDerWaalsContact C-N 3.33Å; D161-K163 HydrophobicContact CB-CG 4.49Å; D161-K163 VanDerWaalsContact CG-CG 3.41Å; D161-K163 WeakPolarHBondContact OD1-CG 3.24Å; D161-K163 PolarHBondContact OD1-N 3.15Å; D161-K163 WeakPolarHBondContact OD2-CE 3.47Å; D161-K163 WeakPolarHBondContact OD2-CG 3.34Å
164L93.6Very high90.1Very high0 Ų064 Ų640%032%0.316CS..EExtended strand (participates in β ladder)trans-107.6117.9178.6-59.4177.8000110.1Y115 I116 M121 I152 F153 M156 D157Y115-L164 WeakPolarHBondContact CA-O 3.43Å; I116-L164 HydrophobicContact CB-CB 4.26Å; I116-L164 PolarHBondContact N-O 3.28Å; I116-L164 PolarHBondContact O-N 2.83Å; M121-L164 HydrophobicContact CE-CD1 3.69Å; I152-L164 HydrophobicContact CG2-CD1 4.3Å; F153-L164 HydrophobicContact CD1-CD2 4.38Å; F153-L164 HydrophobicContact CD1-CG 4.33Å; F153-L164 HydrophobicContact CD2-CD1 4.49Å; F153-L164 HydrophobicContact CE1-CD2 4.39Å; F153-L164 HydrophobicContact CE1-CG 3.93Å; F153-L164 HydrophobicContact CE2-CD1 4.18Å; F153-L164 HydrophobicContact CE2-CG 4.42Å; F153-L164 HydrophobicContact CZ-CD1 4.2Å; F153-L164 HydrophobicContact CZ-CG 3.97Å; M156-L164 HydrophobicContact CB-CD1 4.09Å; M156-L164 HydrophobicContact CB-CD2 3.65Å; M156-L164 HydrophobicContact SD-CD1 4.13Å; D157-L164 HydrophobicContact CB-CD2 3.74Å
165S95Very high89.8Confident24 Ų2457.7 Ų57.717%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-70.8160.6166.165.30000111.3E167 E168 F169S165-E167 PolarHBondContact O-N 3.48Å; S165-E168 WeakPolarHBondContact CB-OE2 3.31Å; S165-E168 PolarHBondContact N-OE2 3.11Å; S165-E168 PolarHBondContact O-N 3.35Å; S165-E168 WeakPolarHBondContact OG-CB 3.17Å; S165-E168 WeakPolarHBondContact OG-CG 3.45Å; S165-E168 PolarHBondContact OG-N 3.36Å; S165-E168 PolarHBondContact OG-OE2 3.22Å; S165-F169 WeakPolarHBondContact O-CB 3.43Å; S165-F169 PolarHBondContact O-N 2.89Å
166L91.8Very high89.2Confident59 Ų5955.8 Ų55.831%0.30930%0.299SS..Hα-helixtrans-55.8-36.8174.6178.963.7000112.4K102 F105 I170K102-L166 HydrophobicContact CG-CD1 4.14Å; K102-L166 HydrophobicContact CG-CD2 4.34Å; F105-L166 HydrophobicContact CB-CD1 3.61Å; F105-L166 HydrophobicContact CD1-CD1 3.92Å; F105-L166 HydrophobicContact CD2-CB 4.29Å; F105-L166 HydrophobicContact CD2-CD1 3.79Å; F105-L166 HydrophobicContact CE1-CB 4.38Å; F105-L166 VanDerWaalsContact CE2-CA 3.49Å; F105-L166 HydrophobicContact CE2-CB 4.13Å; F105-L166 HydrophobicContact CE2-CD1 4.46Å; F105-L166 HydrophobicContact CG-CB 4.49Å; F105-L166 HydrophobicContact CG-CD1 3.48Å; F105-L166 VanDerWaalsContact CG-CD1 3.48Å; F105-L166 HydrophobicContact CZ-CB 4.18Å; L166-I170 HydrophobicContact CD1-CD1 3.83Å; L166-I170 HydrophobicContact CD1-CG1 4.13Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 3.27Å; L166-I170 VanDerWaalsContact O-CG1 3.26Å; L166-I170 WeakPolarHBondContact O-CG1 3.2Å; L166-I170 PolarHBondContact O-N 2.68Å
167E92.4Very high88.4Confident162 Ų16259.9 Ų59.976%0.75733%0.325SS*.Hα-helixtrans-67.8-45.9179.6-63.6-171.2166.300111.9S165 F169 I170 K171S165-E167 PolarHBondContact O-N 3.48Å; E167-F169 VanDerWaalsContact C-N 3.34Å; E167-I170 PolarHBondContact O-N 2.89Å; E167-K171 WeakPolarHBondContact O-CB 3.1Å; E167-K171 PolarHBondContact O-N 3.44Å
168E92.7Very high87.2Confident13 Ų1361.3 Ų61.36%0.06134%0.337CS..Hα-helixtrans-61.3-43.5174.7-79.3162.8148.400111.4M156 L158 N159 S165 K171 G172M156-E168 WeakPolarHBondContact O-CB 3.46Å; L158-E168 HydrophobicContact CB-CG 4.47Å; L158-E168 HydrophobicContact CG-CG 4.43Å; L158-E168 PolarHBondContact N-OE1 3.33Å; N159-E168 VanDerWaalsContact CG-OE1 3.27Å; N159-E168 PolarHBondContact N-OE1 2.56Å; N159-E168 PolarHBondContact ND2-OE1 2.94Å; S165-E168 WeakPolarHBondContact CB-OE2 3.31Å; S165-E168 PolarHBondContact N-OE2 3.11Å; S165-E168 PolarHBondContact O-N 3.35Å; S165-E168 WeakPolarHBondContact OG-CB 3.17Å; S165-E168 WeakPolarHBondContact OG-CG 3.45Å; S165-E168 PolarHBondContact OG-N 3.36Å; S165-E168 PolarHBondContact OG-OE2 3.22Å; E168-K171 PolarHBondContact O-N 3.19Å; E168-G172 PolarHBondContact O-N 3.35Å
169F89.9Confident86Confident0 Ų057.1 Ų57.10%032%0.315CS..Hα-helixtrans-61.5-49.1177-174.7-95.6000112.1L101 A104 F105 Y108 I116 M156 S165 E167 K171 A173 L183L101-F169 HydrophobicContact CD2-CE1 4.42Å; L101-F169 WeakPolarHBondContact O-CE1 3.09Å; A104-F169 HydrophobicContact CB-CE1 4.24Å; A104-F169 HydrophobicContact CB-CZ 4.26Å; F105-F169 HydrophobicContact CB-CD1 4Å; F105-F169 HydrophobicContact CB-CE1 4.08Å; F105-F169 HydrophobicContact CD2-CB 3.69Å; F105-F169 AromaticContact CD2-CD1 3.95Å; F105-F169 HydrophobicContact CD2-CD1 3.95Å; F105-F169 HydrophobicContact CD2-CD2 4.31Å; F105-F169 AromaticContact CD2-CG 3.74Å; F105-F169 HydrophobicContact CD2-CG 3.74Å; F105-F169 HydrophobicContact CE2-CB 4.11Å; Y108-F169 HydrophobicContact CD2-CE2 4.44Å; Y108-F169 HydrophobicContact CD2-CZ 4.3Å; I116-F169 HydrophobicContact CD1-CD2 3.73Å; I116-F169 HydrophobicContact CD1-CE2 3.97Å; I116-F169 HydrophobicContact CD1-CG 4.32Å; M156-F169 HydrophobicContact CE-CB 4.47Å; M156-F169 HydrophobicContact CE-CD2 3.95Å; M156-F169 HydrophobicContact CE-CG 4.24Å; M156-F169 WeakPolarHBondContact CE-O 3.2Å; M156-F169 HydrophobicContact SD-CD2 4.39Å; S165-F169 WeakPolarHBondContact O-CB 3.43Å; S165-F169 PolarHBondContact O-N 2.89Å; E167-F169 VanDerWaalsContact C-N 3.34Å; F169-K171 PolarHBondContact O-N 3.25Å; F169-A173 VanDerWaalsContact O-CB 3.26Å; F169-A173 WeakPolarHBondContact O-CB 3.45Å; F169-A173 PolarHBondContact O-N 3.33Å; F169-L183 HydrophobicContact CE1-CD1 3.81Å; F169-L183 HydrophobicContact CE2-CD1 3.98Å; F169-L183 HydrophobicContact CE2-CD2 3.92Å; F169-L183 HydrophobicContact CZ-CD1 3.33Å; F169-L183 HydrophobicContact CZ-CD2 3.52Å; F169-L183 HydrophobicContact CZ-CG 4.05Å
170I88.7Confident84.9Confident24 Ų2453.8 Ų53.812%0.12330%0.298CS..Hα-helixtrans-63.9-43.1178.6-70.6171000110.7L101 K102 L166 E167 K174L101-I170 HydrophobicContact CB-CG1 4.18Å; L101-I170 HydrophobicContact CD1-CG2 4.31Å; K102-I170 HydrophobicContact CG-CD1 4.18Å; L166-I170 HydrophobicContact CD1-CD1 3.83Å; L166-I170 HydrophobicContact CD1-CG1 4.13Å; L166-I170 HydrophobicContact CG-CD1 3.86Å; L166-I170 HydrophobicContact CG-CG1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 3.27Å; L166-I170 VanDerWaalsContact O-CG1 3.26Å; L166-I170 WeakPolarHBondContact O-CG1 3.2Å; L166-I170 PolarHBondContact O-N 2.68Å; E167-I170 PolarHBondContact O-N 2.89Å; I170-K174 HydrophobicContact CG2-CD 3.92Å; I170-K174 HydrophobicContact CG2-CG 4.45Å; I170-K174 WeakPolarHBondContact O-CB 3.04Å; I170-K174 VanDerWaalsContact O-CG 3.28Å; I170-K174 WeakPolarHBondContact O-CG 3.16Å; I170-K174 PolarHBondContact O-N 2.87Å
171K89.2Confident83.7Confident125 Ų12554.4 Ų54.454%0.54329%0.29SS..Hα-helixtrans-66.9-44.6-178.9-175175.8174.3-171.30111.4L158 E167 E168 F169 K174 S175L158-K171 HydrophobicContact CD1-CD 3.87Å; E167-K171 WeakPolarHBondContact O-CB 3.1Å; E167-K171 PolarHBondContact O-N 3.44Å; E168-K171 PolarHBondContact O-N 3.19Å; F169-K171 PolarHBondContact O-N 3.25Å; K171-K174 PolarHBondContact O-N 3.35Å; K171-S175 WeakPolarHBondContact O-CB 3.46Å; K171-S175 PolarHBondContact O-N 2.99Å; K171-S175 PolarHBondContact O-OG 3.38Å
172G86.2Confident82.2Confident9 Ų953.1 Ų53.19%0.09328%0.283CS..Hα-helixtrans-62.2-45.8176.700000111.7E168 K174 S175 D176E168-G172 PolarHBondContact O-N 3.35Å; G172-K174 PolarHBondContact O-N 3.43Å; G172-S175 PolarHBondContact O-N 3.04Å; G172-S175 VanDerWaalsContact O-N 3.13Å; G172-D176 PolarHBondContact O-N 2.9Å
173A84.6Confident80.7Confident0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-64-43.5178.200000111.1L101 M156 F169 S175 D176 I179 V180 L183L101-A173 HydrophobicContact CD1-CB 4.07Å; L101-A173 HydrophobicContact CD2-CB 3.55Å; L101-A173 HydrophobicContact CG-CB 4.46Å; M156-A173 HydrophobicContact CE-CB 4.19Å; M156-A173 VanDerWaalsContact CE-N 3.25Å; F169-A173 VanDerWaalsContact O-CB 3.26Å; F169-A173 WeakPolarHBondContact O-CB 3.45Å; F169-A173 PolarHBondContact O-N 3.33Å; A173-S175 PolarHBondContact O-N 3.44Å; A173-D176 CarbonylContact O-C 3.27Å; A173-D176 PolarHBondContact O-N 3.35Å; A173-D176 VanDerWaalsContact O-O 3.06Å; A173-I179 HydrophobicContact CB-CG2 4.31Å; A173-V180 HydrophobicContact CB-CG2 3.87Å; A173-V180 WeakPolarHBondContact O-CG2 3.22Å; A173-L183 HydrophobicContact CB-CD1 3.99Å
174K83.6Confident79Confident101 Ų10152.7 Ų52.744%0.43927%0.271SS..Hα-helixtrans-64.6-28.5175.5-74.6176.8177.7178.80113.5E98 L101 I170 K171 G172E98-K174 IonicContact OE1-NZ 2.95Å; E98-K174 PolarHBondContact OE1-NZ 3.08Å; L101-K174 HydrophobicContact CD1-CG 4.27Å; I170-K174 HydrophobicContact CG2-CD 3.92Å; I170-K174 HydrophobicContact CG2-CG 4.45Å; I170-K174 WeakPolarHBondContact O-CB 3.04Å; I170-K174 VanDerWaalsContact O-CG 3.28Å; I170-K174 WeakPolarHBondContact O-CG 3.16Å; I170-K174 PolarHBondContact O-N 2.87Å; K171-K174 PolarHBondContact O-N 3.35Å; G172-K174 PolarHBondContact O-N 3.43Å
175S81.9Confident77Confident93 Ų9354.2 Ų54.265%0.6528%0.281SS*.Hα-helixtrans-81.8-28.6-178.2-57.20000112.4K171 G172 A173K171-S175 WeakPolarHBondContact O-CB 3.46Å; K171-S175 PolarHBondContact O-N 2.99Å; K171-S175 PolarHBondContact O-OG 3.38Å; G172-S175 PolarHBondContact O-N 3.04Å; G172-S175 VanDerWaalsContact O-N 3.13Å; A173-S175 PolarHBondContact O-N 3.44Å
176D73.2Confident74.7Confident41 Ų4156 Ų5622%0.21929%0.289CS..  trans-124.2103.3179.3-163.7-31.4000111.6G172 A173 S178 I179 V180G172-D176 PolarHBondContact O-N 2.9Å; A173-D176 CarbonylContact O-C 3.27Å; A173-D176 PolarHBondContact O-N 3.35Å; A173-D176 VanDerWaalsContact O-O 3.06Å; D176-S178 PolarHBondContact O-N 3.06Å; D176-S178 VanDerWaalsContact O-N 3.13Å; D176-S178 WeakPolarHBondContact OD1-CA 3.46Å; D176-S178 WeakPolarHBondContact OD1-CB 3.42Å; D176-S178 PolarHBondContact OD1-N 3.4Å; D176-S178 PolarHBondContact OD1-OG 3.08Å; D176-S178 PolarHBondContact OD2-OG 2.7Å; D176-I179 HydrophobicContact CB-CB 4.37Å; D176-I179 HydrophobicContact CB-CD1 3.88Å; D176-I179 HydrophobicContact CB-CG1 3.91Å; D176-I179 WeakPolarHBondContact O-CB 3.46Å; D176-I179 PolarHBondContact O-N 3.49Å; D176-V180 PolarHBondContact O-N 3.35Å
177P70.2Confident72.2Confident87 Ų8757 Ų5757%0.56530%0.299SS*.Hα-helixtrans-58.9-22.5176.3-24.634.3000114.1R181P177-R181 VanDerWaalsContact O-CG 3.31Å; P177-R181 WeakPolarHBondContact O-CG 2.98Å; P177-R181 PolarHBondContact O-N 3.16Å; P177-R181 VanDerWaalsContact O-N 3.1Å
178S67.3Low69.4Low47 Ų4753.1 Ų53.133%0.32929%0.29SS..Hα-helixtrans-65.3-47.5173.473.30000109.9D176 V180 R181 L182D176-S178 PolarHBondContact O-N 3.06Å; D176-S178 VanDerWaalsContact O-N 3.13Å; D176-S178 WeakPolarHBondContact OD1-CA 3.46Å; D176-S178 WeakPolarHBondContact OD1-CB 3.42Å; D176-S178 PolarHBondContact OD1-N 3.4Å; D176-S178 PolarHBondContact OD1-OG 3.08Å; D176-S178 PolarHBondContact OD2-OG 2.7Å; S178-V180 VanDerWaalsContact C-N 3.3Å; S178-V180 PolarHBondContact O-N 3.45Å; S178-R181 WeakPolarHBondContact O-CB 3.38Å; S178-R181 PolarHBondContact O-N 3.07Å; S178-R181 VanDerWaalsContact O-N 3.08Å; S178-L182 WeakPolarHBondContact O-CG 3.19Å; S178-L182 PolarHBondContact O-N 2.84Å
179I65.9Low66.8Low6 Ų653.9 Ų53.93%0.03130%0.297CS..Hα-helixtrans-56.9-43.4176.5-60.8179.2000110.9M156 A173 D176 R181 L182 L183M156-I179 HydrophobicContact CE-CD1 4.38Å; M156-I179 HydrophobicContact CE-CG2 4.06Å; M156-I179 HydrophobicContact CG-CD1 4.04Å; M156-I179 HydrophobicContact SD-CD1 4.04Å; M156-I179 HydrophobicContact SD-CG2 4.27Å; A173-I179 HydrophobicContact CB-CG2 4.31Å; D176-I179 HydrophobicContact CB-CB 4.37Å; D176-I179 HydrophobicContact CB-CD1 3.88Å; D176-I179 HydrophobicContact CB-CG1 3.91Å; D176-I179 WeakPolarHBondContact O-CB 3.46Å; D176-I179 PolarHBondContact O-N 3.49Å; I179-R181 PolarHBondContact O-N 2.75Å; I179-L182 WeakPolarHBondContact O-CB 3.47Å; I179-L182 PolarHBondContact O-N 3.32Å; I179-L182 VanDerWaalsContact O-N 3.15Å; I179-L183 HydrophobicContact CG2-CD1 3.78Å; I179-L183 HydrophobicContact CG2-CG 4.11Å; I179-L183 WeakPolarHBondContact O-CB 3.23Å; I179-L183 WeakPolarHBondContact O-CG 3.39Å; I179-L183 PolarHBondContact O-N 3.33Å
180V67.6Low64.3Low19 Ų1955.4 Ų55.412%0.11531%0.309CS..Hα-helixtrans-61.6-44.1177.2173.40000112.1L97 L101 A173 D176 S178 L182 L183 Q184L97-V180 HydrophobicContact CD1-CG1 4.08Å; L101-V180 HydrophobicContact CD2-CG2 4.48Å; A173-V180 HydrophobicContact CB-CG2 3.87Å; A173-V180 WeakPolarHBondContact O-CG2 3.22Å; D176-V180 PolarHBondContact O-N 3.35Å; S178-V180 VanDerWaalsContact C-N 3.3Å; S178-V180 PolarHBondContact O-N 3.45Å; V180-L182 PolarHBondContact O-N 3.04Å; V180-L183 PolarHBondContact O-N 3.39Å; V180-Q184 HydrophobicContact CG1-CG 4.2Å; V180-Q184 WeakPolarHBondContact O-CB 3.42Å; V180-Q184 VanDerWaalsContact O-CG 3.29Å; V180-Q184 WeakPolarHBondContact O-CG 3.31Å; V180-Q184 PolarHBondContact O-N 3.27Å
181R66.3Low61.4Low145 Ų14559.2 Ų59.255%0.54734%0.338SS..Hα-helixtrans-61.5-37.4176.4-72.4172.2-179.1-165.7-0.6111.4P177 S178 I179P177-R181 VanDerWaalsContact O-CG 3.31Å; P177-R181 WeakPolarHBondContact O-CG 2.98Å; P177-R181 PolarHBondContact O-N 3.16Å; P177-R181 VanDerWaalsContact O-N 3.1Å; S178-R181 WeakPolarHBondContact O-CB 3.38Å; S178-R181 PolarHBondContact O-N 3.07Å; S178-R181 VanDerWaalsContact O-N 3.08Å; I179-R181 PolarHBondContact O-N 2.75Å
182L60.4Low58.6Low46 Ų4661 Ų6124%0.24135%0.348CS..Hα-helixtrans-69.9-37.5178.3-63.2172.4000112R148 S178 I179 V180R148-L182 VanDerWaalsContact CZ-CD2 3.48Å; S178-L182 WeakPolarHBondContact O-CG 3.19Å; S178-L182 PolarHBondContact O-N 2.84Å; I179-L182 WeakPolarHBondContact O-CB 3.47Å; I179-L182 PolarHBondContact O-N 3.32Å; I179-L182 VanDerWaalsContact O-N 3.15Å; V180-L182 PolarHBondContact O-N 3.04Å
183L59.3Low56.1Low22 Ų2270.8 Ų70.812%0.11539%0.389CS..Hα-helixtrans-75.1-30.6177.9-69.3174000113.3L101 Y108 F169 A173 I179 V180 C185L101-L183 HydrophobicContact CD2-CD1 3.96Å; Y108-L183 HydrophobicContact CD2-CD2 4.07Å; Y108-L183 HydrophobicContact CE2-CD2 3.21Å; Y108-L183 WeakPolarHBondContact OH-CD2 3.36Å; F169-L183 HydrophobicContact CE1-CD1 3.81Å; F169-L183 HydrophobicContact CE2-CD1 3.98Å; F169-L183 HydrophobicContact CE2-CD2 3.92Å; F169-L183 HydrophobicContact CZ-CD1 3.33Å; F169-L183 HydrophobicContact CZ-CD2 3.52Å; F169-L183 HydrophobicContact CZ-CG 4.05Å; A173-L183 HydrophobicContact CB-CD1 3.99Å; I179-L183 HydrophobicContact CG2-CD1 3.78Å; I179-L183 HydrophobicContact CG2-CG 4.11Å; I179-L183 WeakPolarHBondContact O-CB 3.23Å; I179-L183 WeakPolarHBondContact O-CG 3.39Å; I179-L183 PolarHBondContact O-N 3.33Å; V180-L183 PolarHBondContact O-N 3.39Å; L183-C185 VanDerWaalsContact C-N 3.26Å; L183-C185 PolarHBondContact O-N 3.34Å
184Q58.6Low54.7Low83 Ų8374.4 Ų74.439%0.38841%0.408SS..THydrogen-bonded Turntrans-78-11.1-178.1-76179.6-700113.4V180 D186V180-Q184 HydrophobicContact CG1-CG 4.2Å; V180-Q184 WeakPolarHBondContact O-CB 3.42Å; V180-Q184 VanDerWaalsContact O-CG 3.29Å; V180-Q184 WeakPolarHBondContact O-CG 3.31Å; V180-Q184 PolarHBondContact O-N 3.27Å; Q184-D186 PolarHBondContact O-N 2.55Å
185C52.2Low53.2Low32 Ų3272.9 Ų72.922%0.21641%0.406CS..THydrogen-bonded Turntrans41.839.7179.8-115.10000112.4F64 L183 P187F64-C185 HydrophobicContact CZ-CB 4.28Å; L183-C185 VanDerWaalsContact C-N 3.26Å; L183-C185 PolarHBondContact O-N 3.34Å; C185-P187 WeakPolarHBondContact O-CD 3.47Å
186D47.5Very low51.6Low63 Ų6371.8 Ų71.834%0.33739%0.393SS..  trans-73113.5-170.8-171.9-24000109.1Q184 S188 S189Q184-D186 PolarHBondContact O-N 2.55Å; D186-S188 PolarHBondContact O-N 3.05Å; D186-S188 VanDerWaalsContact O-N 3.15Å; D186-S188 WeakPolarHBondContact OD1-CA 3.17Å; D186-S188 WeakPolarHBondContact OD1-CB 3.29Å; D186-S188 PolarHBondContact OD1-N 2.88Å; D186-S188 PolarHBondContact OD1-OG 3.29Å; D186-S189 WeakPolarHBondContact O-CB 3.27Å; D186-S189 PolarHBondContact O-N 3.21Å; D186-S189 PolarHBondContact O-OG 2.66Å
187P37.8Very low50.3Low80 Ų8073.6 Ų73.652%0.51940%0.403SS..G310 helixtrans-62.5-21.417924.8-32.2000112.6F56 C185 S189 A190F56-P187 HydrophobicContact CE1-CB 4.23Å; C185-P187 WeakPolarHBondContact O-CD 3.47Å; P187-S189 VanDerWaalsContact C-N 3.29Å; P187-S189 PolarHBondContact O-N 3.03Å; P187-A190 WeakPolarHBondContact O-CB 3.44Å; P187-A190 PolarHBondContact O-N 2.82Å
188S35.3Very low49Very low79 Ų7972.8 Ų72.855%0.55239%0.393SS*.G310 helixtrans-70.1-27.9174.2-280000112.1D186 A190 S191D186-S188 PolarHBondContact O-N 3.05Å; D186-S188 VanDerWaalsContact O-N 3.15Å; D186-S188 WeakPolarHBondContact OD1-CA 3.17Å; D186-S188 WeakPolarHBondContact OD1-CB 3.29Å; D186-S188 PolarHBondContact OD1-N 2.88Å; D186-S188 PolarHBondContact OD1-OG 3.29Å; S188-A190 PolarHBondContact O-N 3.07Å; S188-S191 PolarHBondContact O-N 2.6Å
189S37.1Very low47.8Very low30 Ų3074.5 Ų74.521%0.2140%0.397CS..G310 helixtrans-74.7-15.7176710000112.9D186 P187 S191 Q192D186-S189 WeakPolarHBondContact O-CB 3.27Å; D186-S189 PolarHBondContact O-N 3.21Å; D186-S189 PolarHBondContact O-OG 2.66Å; P187-S189 VanDerWaalsContact C-N 3.29Å; P187-S189 PolarHBondContact O-N 3.03Å; S189-S191 PolarHBondContact O-N 3.3Å; S189-Q192 PolarHBondContact O-N 2.96Å
190A36.5Very low46.5Very low31 Ų3179.4 Ų79.426%0.25642%0.424SS..G310 helixtrans-66.1-17.6170.700000113.7M136 P187 S188M136-A190 HydrophobicContact CE-CB 3.45Å; M136-A190 VanDerWaalsContact CE-CB 3.45Å; P187-A190 WeakPolarHBondContact O-CB 3.44Å; P187-A190 PolarHBondContact O-N 2.82Å; S188-A190 PolarHBondContact O-N 3.07Å
191S29.3Very low44.9Very low104 Ų10484.1 Ų84.173%0.72745%0.447SS*.G310 helixtrans-92.2-0.8-179.8-53.40000113.6S188 S189S188-S191 PolarHBondContact O-N 2.6Å; S189-S191 PolarHBondContact O-N 3.3Å
192Q29.7Very low43.1Very low163 Ų16379 Ų7976%0.76244%0.439SS*.  trans-11513.7-177.1-67.5-170.916.400114S189S189-Q192 PolarHBondContact O-N 2.96Å
193F34Very low41.6Very low215 Ų21582 Ų8294%0.94346%0.457SS*.  trans-117.70167.3-70.5-75.8000110.6

Retrieved 193 of 193 residues in 195.1 ms (Link to these results)

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