A0A087X8C1_POEFO Loading...

Rho GTPase-activating protein 42

May influence blood pressure by functioning as a GTPase-activating protein for RHOA in vascular smooth muscle.

AlphaFold DB , UniProt , Accession A0A087X8C1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 903 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
1M49.6Very low83.3Confident245 Ų24573.5 Ų73.5100%1.20743%0.434SS*.  0166.90-65-168.8-74.300108.4
2G73.4Confident83.4Confident69 Ų6977 Ų7771%0.71144%0.44SS*.PPolyproline II helixtrans-71.1171.6172.500000112.1
3L84.3Confident83.8Confident75 Ų7581 Ų8139%0.39346%0.458SS..PPolyproline II helixtrans-71.9143.6166.2-64.5179.2000109.6H25 E28L3-H25 HydrophobicContact CD1-CB 4.47Å; L3-H25 WeakPolarHBondContact CD1-ND1 3.46Å; L3-E28 HydrophobicContact CD1-CB 3.92Å; L3-E28 HydrophobicContact CD1-CG 4.25Å
4P85.5Confident84.5Confident64 Ų6476.5 Ų76.542%0.41643%0.432SS..PPolyproline II helixtrans-65.9156.4170.630.2-35.2000110.9R21 H25P4-R21 HydrophobicContact CG-CB 4.46Å; P4-R21 HydrophobicContact CG-CG 3.76Å; P4-H25 PolarHBondContact O-NE2 3.14Å
5A86.4Confident85.2Confident60 Ų6073.5 Ų73.550%0.49642%0.418SS..PPolyproline II helixtrans-63.8161.6172.700000111.8E7A5-E7 WeakPolarHBondContact CB-OE1 3.36Å
6L91.3Very high85.7Confident1 Ų175.6 Ų75.61%0.00544%0.436CS..  trans-110.193.9172.8-67.6175.5000107.9F18 R21 L22 H25 V182 I185 Q186L6-F18 HydrophobicContact CD2-CD2 4.44Å; L6-F18 HydrophobicContact CD2-CE2 4.17Å; L6-R21 HydrophobicContact CD2-CB 3.78Å; L6-L22 HydrophobicContact CD1-CD1 3.85Å; L6-L22 HydrophobicContact CD2-CB 4.38Å; L6-H25 HydrophobicContact CD1-CB 4.4Å; L6-V182 HydrophobicContact CB-CG1 3.71Å; L6-V182 WeakPolarHBondContact O-CG1 3.49Å; L6-I185 HydrophobicContact CD1-CB 4.41Å; L6-I185 HydrophobicContact CD1-CD1 4.23Å; L6-I185 HydrophobicContact CD1-CG2 3.94Å; L6-Q186 PolarHBondContact O-NE2 2.78Å
7E89.1Confident86.2Confident104 Ų10477.2 Ų77.249%0.48644%0.442SS..  trans-70.9136.6-179.4-57.2-54.7145.700111.1A5 S9 D10 S11A5-E7 WeakPolarHBondContact CB-OE1 3.36Å; E7-S9 WeakPolarHBondContact CB-OG 3.5Å; E7-S9 PolarHBondContact O-N 2.94Å; E7-D10 HydrophobicContact CB-CB 4.49Å; E7-D10 WeakPolarHBondContact O-CB 3.4Å; E7-D10 PolarHBondContact O-N 3.13Å; E7-S11 PolarHBondContact O-N 3Å
8F90.4Very high86.6Confident85 Ų8572.9 Ų72.937%0.37342%0.418SS..Hα-helixtrans-63.2-28.6178.7-67.3-65.7000112.4D10 S11 F12 L179 V182 F183F8-D10 VanDerWaalsContact C-N 3.29Å; F8-D10 PolarHBondContact O-N 3.26Å; F8-S11 PolarHBondContact O-N 3.07Å; F8-S11 PolarHBondContact O-OG 2.98Å; F8-F12 PolarHBondContact O-N 3.3Å; F8-L179 HydrophobicContact CB-CD2 3.85Å; F8-L179 HydrophobicContact CD1-CD2 3.57Å; F8-L179 HydrophobicContact CE1-CD2 4.49Å; F8-L179 HydrophobicContact CG-CD2 4.08Å; F8-V182 HydrophobicContact CD1-CB 4.16Å; F8-V182 HydrophobicContact CD1-CG1 3.78Å; F8-V182 HydrophobicContact CE1-CB 3.99Å; F8-V182 HydrophobicContact CE1-CG1 3.64Å; F8-V182 HydrophobicContact CZ-CG1 4.38Å; F8-F183 HydrophobicContact CE1-CB 4.09Å; F8-F183 HydrophobicContact CZ-CB 4.1Å
9S88.7Confident87.1Confident75 Ų7572.6 Ų72.652%0.52441%0.409SS..Hα-helixtrans-57.8-40.6171.250.40000112.8E7 S11 F12 L13E7-S9 WeakPolarHBondContact CB-OG 3.5Å; E7-S9 PolarHBondContact O-N 2.94Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S9-F12 PolarHBondContact O-N 2.68Å; S9-L13 PolarHBondContact O-N 2.69Å
10D88.5Confident87.5Confident30 Ų3074.5 Ų74.516%0.1641%0.414CS..Hα-helixtrans-73.7-33-175.3-59.3-0.5000110.5E7 F8 F12 L13 D14 F18 R21E7-D10 HydrophobicContact CB-CB 4.49Å; E7-D10 WeakPolarHBondContact O-CB 3.4Å; E7-D10 PolarHBondContact O-N 3.13Å; F8-D10 VanDerWaalsContact C-N 3.29Å; F8-D10 PolarHBondContact O-N 3.26Å; D10-F12 PolarHBondContact O-N 2.84Å; D10-L13 PolarHBondContact O-N 3.48Å; D10-D14 PolarHBondContact O-N 3.05Å; D10-F18 HydrophobicContact CB-CB 4.04Å; D10-F18 HydrophobicContact CB-CD2 3.66Å; D10-F18 HydrophobicContact CB-CG 4.07Å; D10-R21 IonicContact OD2-CZ 2.65Å; D10-R21 IonicContact OD2-NE 2.65Å; D10-R21 IonicContact OD2-NH2 2.7Å; D10-R21 PolarHBondContact OD2-NH2 2.96Å
11S88.8Confident87.8Confident0 Ų073.7 Ų73.70%041%0.405CS..Hα-helixtrans-70.3-15.6176.778.70000114.7E7 F8 S9 S178E7-S11 PolarHBondContact O-N 3Å; F8-S11 PolarHBondContact O-N 3.07Å; F8-S11 PolarHBondContact O-OG 2.98Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S11-S178 WeakPolarHBondContact CB-OG 3.36Å; S11-S178 PolarHBondContact O-OG 3.45Å
12F84.4Confident90Very high116 Ų11662.2 Ų62.251%0.50935%0.348SS..Hα-helixtrans-88.6-32.6170.6179.6-87000112.1F8 S9 D10 D14 Y175F8-F12 PolarHBondContact O-N 3.3Å; S9-F12 PolarHBondContact O-N 2.68Å; D10-F12 PolarHBondContact O-N 2.84Å; F12-D14 VanDerWaalsContact C-N 3.35Å; F12-Y175 HydrophobicContact CD2-CD1 4.09Å; F12-Y175 AromaticContact CD2-CD2 3.71Å; F12-Y175 HydrophobicContact CD2-CD2 3.71Å; F12-Y175 HydrophobicContact CD2-CE1 4.02Å; F12-Y175 AromaticContact CD2-CE2 3.62Å; F12-Y175 HydrophobicContact CD2-CE2 3.62Å; F12-Y175 AromaticContact CD2-CG 3.94Å; F12-Y175 HydrophobicContact CD2-CG 3.94Å; F12-Y175 AromaticContact CD2-CZ 3.78Å; F12-Y175 AromaticContact CE2-CD2 3.53Å; F12-Y175 HydrophobicContact CE2-CD2 3.53Å; F12-Y175 HydrophobicContact CE2-CE1 4.4Å; F12-Y175 AromaticContact CE2-CE2 3.21Å; F12-Y175 HydrophobicContact CE2-CE2 3.21Å; F12-Y175 HydrophobicContact CE2-CG 4.25Å; F12-Y175 AromaticContact CE2-CZ 3.7Å; F12-Y175 HydrophobicContact CG-CE1 4.27Å; F12-Y175 HydrophobicContact CG-CE2 4.45Å; F12-Y175 HydrophobicContact CZ-CD2 4.48Å; F12-Y175 AromaticContact CZ-CE2 3.75Å; F12-Y175 HydrophobicContact CZ-CE2 3.75Å; F12-Y175 WeakPolarHBondContact O-CE1 3.47Å; F12-Y175 PolarHBondContact O-OH 3.07Å
13L89.6Confident91Very high129 Ų12965.1 Ų65.168%0.67534%0.342SS*.Hα-helixtrans-78.2-20.4174.3-65.9175.6000113.2S9 D10 S15S9-L13 PolarHBondContact O-N 2.69Å; D10-L13 PolarHBondContact O-N 3.48Å; L13-S15 PolarHBondContact O-N 3.01Å
14D93.4Very high91.5Very high18 Ų1867.1 Ų67.110%0.09635%0.345CS..THydrogen-bonded Turntrans48.839.1-178.2-159.530.5000114.4D10 F12 R19 Y142 F174D10-D14 PolarHBondContact O-N 3.05Å; F12-D14 VanDerWaalsContact C-N 3.35Å; D14-R19 VanDerWaalsContact CG-NH2 3.32Å; D14-R19 IonicContact OD1-CZ 3.72Å; D14-R19 VanDerWaalsContact OD1-CZ 3.25Å; D14-R19 IonicContact OD1-NE 3.15Å; D14-R19 PolarHBondContact OD1-NE 3.34Å; D14-R19 IonicContact OD1-NH2 3.65Å; D14-R19 PolarHBondContact OD1-NH2 3.36Å; D14-R19 VanDerWaalsContact OD1-NH2 3.07Å; D14-R19 IonicContact OD2-CZ 2.66Å; D14-R19 IonicContact OD2-NE 2.77Å; D14-R19 IonicContact OD2-NH2 3.45Å; D14-R19 PolarHBondContact OD2-NH2 3.15Å; D14-Y142 PolarHBondContact OD2-OH 2.97Å; D14-F174 HydrophobicContact CB-CE1 4.31Å; D14-F174 HydrophobicContact CB-CZ 4.13Å; D14-F174 WeakPolarHBondContact OD2-CZ 3.34Å
15S93.9Very high92Very high31 Ų3165 Ų6522%0.21733%0.329CS..  trans-68.6155.4-171.971.80000112.9L13 D17 F18 R19L13-S15 PolarHBondContact O-N 3.01Å; S15-D17 PolarHBondContact O-N 3.44Å; S15-F18 WeakPolarHBondContact O-CB 3.48Å; S15-F18 PolarHBondContact O-N 3.45Å; S15-F18 WeakPolarHBondContact OG-CB 3.39Å; S15-F18 PolarHBondContact OG-N 2.96Å; S15-R19 PolarHBondContact O-N 2.96Å
16P94.3Very high92.4Very high108 Ų10864 Ų6470%0.70131%0.314SS*.Hα-helixtrans-53.6-40.9173.7-27.736.2000112.8F18 R19 E20P16-F18 VanDerWaalsContact C-N 3.34Å; P16-F18 PolarHBondContact O-N 2.69Å; P16-R19 PolarHBondContact O-N 3.01Å; P16-E20 PolarHBondContact O-N 2.95Å
17D93.1Very high92.6Very high103 Ų10367.4 Ų67.455%0.55133%0.332SS*.Hα-helixtrans-66.9-35178.5-46.7-19.5000111.9S15 R21S15-D17 PolarHBondContact O-N 3.44Å; D17-R21 VanDerWaalsContact CB-NH1 3.27Å; D17-R21 WeakPolarHBondContact O-CG 3.34Å; D17-R21 PolarHBondContact O-N 3Å; D17-R21 PolarHBondContact O-NH1 2.91Å
18F94.9Very high92.8Very high0 Ų064.9 Ų64.90%032%0.32CS..Hα-helixtrans-66.1-48.2172.4167.9-103.6000111L6 D10 S15 P16 E20 R21 L22 V182L6-F18 HydrophobicContact CD2-CD2 4.44Å; L6-F18 HydrophobicContact CD2-CE2 4.17Å; D10-F18 HydrophobicContact CB-CB 4.04Å; D10-F18 HydrophobicContact CB-CD2 3.66Å; D10-F18 HydrophobicContact CB-CG 4.07Å; S15-F18 WeakPolarHBondContact O-CB 3.48Å; S15-F18 PolarHBondContact O-N 3.45Å; S15-F18 WeakPolarHBondContact OG-CB 3.39Å; S15-F18 PolarHBondContact OG-N 2.96Å; P16-F18 VanDerWaalsContact C-N 3.34Å; P16-F18 PolarHBondContact O-N 2.69Å; F18-E20 VanDerWaalsContact C-N 3.25Å; F18-E20 PolarHBondContact O-N 3.49Å; F18-R21 PolarHBondContact O-N 3.5Å; F18-R21 VanDerWaalsContact O-N 3.16Å; F18-L22 HydrophobicContact CE1-CD2 4.14Å; F18-L22 HydrophobicContact CZ-CD2 4.24Å; F18-L22 VanDerWaalsContact O-CB 3.32Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 PolarHBondContact O-N 2.64Å; F18-V182 HydrophobicContact CE2-CG2 3.9Å; F18-V182 HydrophobicContact CZ-CG2 3.65Å
19R95.2Very high92.9Very high67 Ų6761.7 Ų61.725%0.25331%0.307SS..Hα-helixtrans-60.1-34.6176-72.6-77-176.5164.4-2.1111.8D14 S15 P16 K23 F134 T138D14-R19 VanDerWaalsContact CG-NH2 3.32Å; D14-R19 IonicContact OD1-CZ 3.72Å; D14-R19 VanDerWaalsContact OD1-CZ 3.25Å; D14-R19 IonicContact OD1-NE 3.15Å; D14-R19 PolarHBondContact OD1-NE 3.34Å; D14-R19 IonicContact OD1-NH2 3.65Å; D14-R19 PolarHBondContact OD1-NH2 3.36Å; D14-R19 VanDerWaalsContact OD1-NH2 3.07Å; D14-R19 IonicContact OD2-CZ 2.66Å; D14-R19 IonicContact OD2-NE 2.77Å; D14-R19 IonicContact OD2-NH2 3.45Å; D14-R19 PolarHBondContact OD2-NH2 3.15Å; S15-R19 PolarHBondContact O-N 2.96Å; P16-R19 PolarHBondContact O-N 3.01Å; R19-K23 VanDerWaalsContact O-CB 3.29Å; R19-K23 WeakPolarHBondContact O-CB 3.24Å; R19-K23 PolarHBondContact O-N 3.37Å; R19-F134 VanDerWaalsContact CZ-CZ 3.46Å; R19-F134 VanDerWaalsContact NH1-CZ 3.31Å; R19-T138 VanDerWaalsContact NH2-CG2 3.35Å; R19-T138 PolarHBondContact NH2-OG1 2.72Å
20E94.9Very high93.2Very high110 Ų11062.4 Ų62.451%0.51430%0.302SS..Hα-helixtrans-68.9-46.5172.4-172.2174.5-118.700112.5P16 F18 L22 K23 Y24P16-E20 PolarHBondContact O-N 2.95Å; F18-E20 VanDerWaalsContact C-N 3.25Å; F18-E20 PolarHBondContact O-N 3.49Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 3.32Å; E20-K23 WeakPolarHBondContact O-CB 3.41Å; E20-K23 PolarHBondContact O-N 3.31Å; E20-Y24 HydrophobicContact CG-CD2 4.19Å; E20-Y24 HydrophobicContact CG-CE2 3.65Å; E20-Y24 VanDerWaalsContact O-CD2 3.29Å; E20-Y24 WeakPolarHBondContact O-CD2 3.48Å; E20-Y24 PolarHBondContact O-N 3.17Å; E20-Y24 VanDerWaalsContact O-N 3.11Å
21R94.4Very high93.5Very high57 Ų5768.5 Ų68.522%0.21532%0.322CS..Hα-helixtrans-56-47.2173.5-75-170.4-70-76.218.5111.5P4 L6 D10 D17 F18 K23 Y24 H25P4-R21 HydrophobicContact CG-CB 4.46Å; P4-R21 HydrophobicContact CG-CG 3.76Å; L6-R21 HydrophobicContact CD2-CB 3.78Å; D10-R21 IonicContact OD2-CZ 2.65Å; D10-R21 IonicContact OD2-NE 2.65Å; D10-R21 IonicContact OD2-NH2 2.7Å; D10-R21 PolarHBondContact OD2-NH2 2.96Å; D17-R21 VanDerWaalsContact CB-NH1 3.27Å; D17-R21 WeakPolarHBondContact O-CG 3.34Å; D17-R21 PolarHBondContact O-N 3Å; D17-R21 PolarHBondContact O-NH1 2.91Å; F18-R21 PolarHBondContact O-N 3.5Å; F18-R21 VanDerWaalsContact O-N 3.16Å; R21-K23 PolarHBondContact O-N 3.19Å; R21-Y24 PolarHBondContact O-N 3.01Å; R21-H25 PolarHBondContact O-CD2 3.43Å; R21-H25 PolarHBondContact O-N 2.93Å
22L95.2Very high93.8Very high4 Ų468.9 Ų68.92%0.02133%0.325CS..Hα-helixtrans-57.2-48.3177.9-174.665.2000111.2L6 F18 E20 Y24 H25 E26 F134 Y181 I185L6-L22 HydrophobicContact CD1-CD1 3.85Å; L6-L22 HydrophobicContact CD2-CB 4.38Å; F18-L22 HydrophobicContact CE1-CD2 4.14Å; F18-L22 HydrophobicContact CZ-CD2 4.24Å; F18-L22 VanDerWaalsContact O-CB 3.32Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 PolarHBondContact O-N 2.64Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 3.32Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 2.98Å; L22-H25 WeakPolarHBondContact O-CB 3.34Å; L22-H25 PolarHBondContact O-N 2.79Å; L22-E26 PolarHBondContact O-N 2.9Å; L22-F134 HydrophobicContact CD2-CE1 3.68Å; L22-F134 HydrophobicContact CD2-CZ 3.99Å; L22-Y181 HydrophobicContact CD1-CD1 4.25Å; L22-Y181 HydrophobicContact CD1-CE1 3.95Å; L22-Y181 HydrophobicContact CD2-CD1 4.37Å; L22-Y181 HydrophobicContact CD2-CE1 4.11Å; L22-Y181 HydrophobicContact CG-CE1 4.28Å; L22-I185 HydrophobicContact CD1-CD1 3.39Å
23K95.1Very high94.2Very high131 Ų13164.7 Ų64.757%0.5731%0.308SS*.Hα-helixtrans-58.8-34.9176.8-175.6179.1-179-179.50113.4R19 E20 R21 E26 I27R19-K23 VanDerWaalsContact O-CB 3.29Å; R19-K23 WeakPolarHBondContact O-CB 3.24Å; R19-K23 PolarHBondContact O-N 3.37Å; E20-K23 WeakPolarHBondContact O-CB 3.41Å; E20-K23 PolarHBondContact O-N 3.31Å; R21-K23 PolarHBondContact O-N 3.19Å; K23-E26 PolarHBondContact O-N 3.31Å; K23-I27 HydrophobicContact CG-CD1 4.26Å; K23-I27 WeakPolarHBondContact O-CD1 3.44Å; K23-I27 VanDerWaalsContact O-CG1 3.27Å; K23-I27 WeakPolarHBondContact O-CG1 3.47Å; K23-I27 PolarHBondContact O-N 2.79Å; K23-I27 VanDerWaalsContact O-N 3.08Å
24Y94.6Very high94.6Very high117 Ų11765.6 Ų65.646%0.45931%0.306SS..Hα-helixtrans-67.7-36.9173.3-71-56.1000113E20 R21 L22 I27 E28E20-Y24 HydrophobicContact CG-CD2 4.19Å; E20-Y24 HydrophobicContact CG-CE2 3.65Å; E20-Y24 VanDerWaalsContact O-CD2 3.29Å; E20-Y24 WeakPolarHBondContact O-CD2 3.48Å; E20-Y24 PolarHBondContact O-N 3.17Å; E20-Y24 VanDerWaalsContact O-N 3.11Å; R21-Y24 PolarHBondContact O-N 3.01Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 2.98Å; Y24-I27 PolarHBondContact O-N 3.05Å; Y24-E28 PolarHBondContact O-N 3.25Å
25H95.1Very high94.6Very high18 Ų1870.6 Ų70.68%0.08333%0.327CS..Hα-helixtrans-66.2-40.4172.8-78.5-83.4000112.3L3 P4 L6 R21 L22 I27 E28 L29 I185 Q189L3-H25 HydrophobicContact CD1-CB 4.47Å; L3-H25 WeakPolarHBondContact CD1-ND1 3.46Å; P4-H25 PolarHBondContact O-NE2 3.14Å; L6-H25 HydrophobicContact CD1-CB 4.4Å; R21-H25 PolarHBondContact O-CD2 3.43Å; R21-H25 PolarHBondContact O-N 2.93Å; L22-H25 WeakPolarHBondContact O-CB 3.34Å; L22-H25 PolarHBondContact O-N 2.79Å; H25-I27 PolarHBondContact O-N 3Å; H25-E28 PolarHBondContact O-N 3Å; H25-L29 WeakPolarHBondContact O-CB 3.45Å; H25-L29 PolarHBondContact O-N 2.96Å; H25-I185 HydrophobicContact CB-CG2 3.8Å; H25-Q189 PolarHBondContact ND1-NE2 2.86Å
26E95Very high94.7Very high41 Ų4169.1 Ų69.119%0.19232%0.317CS..Hα-helixtrans-59.2-44.7174.2-67.7-178.6-175.500112.6L22 K23 E28 L29 E30 K131 Y181L22-E26 PolarHBondContact O-N 2.9Å; K23-E26 PolarHBondContact O-N 3.31Å; E26-E28 VanDerWaalsContact C-N 3.3Å; E26-E28 PolarHBondContact O-N 3.29Å; E26-L29 PolarHBondContact O-N 2.86Å; E26-E30 PolarHBondContact O-N 2.89Å; E26-K131 IonicContact OE1-NZ 2.78Å; E26-K131 PolarHBondContact OE1-NZ 3.26Å; E26-K131 IonicContact OE2-NZ 2.8Å; E26-K131 PolarHBondContact OE2-NZ 2.81Å; E26-Y181 WeakPolarHBondContact CG-OH 3.48Å; E26-Y181 PolarHBondContact OE1-OH 2.9Å
27I95.3Very high94.7Very high71 Ų7169.3 Ų69.336%0.36431%0.307SS..Hα-helixtrans-61.2-40.4177.6-71.5164.6000110.8K23 Y24 H25 R31K23-I27 HydrophobicContact CG-CD1 4.26Å; K23-I27 WeakPolarHBondContact O-CD1 3.44Å; K23-I27 VanDerWaalsContact O-CG1 3.27Å; K23-I27 WeakPolarHBondContact O-CG1 3.47Å; K23-I27 PolarHBondContact O-N 2.79Å; K23-I27 VanDerWaalsContact O-N 3.08Å; Y24-I27 PolarHBondContact O-N 3.05Å; H25-I27 PolarHBondContact O-N 3Å; I27-R31 VanDerWaalsContact O-CG 3.25Å; I27-R31 WeakPolarHBondContact O-CG 3.31Å; I27-R31 PolarHBondContact O-N 2.9Å
28E93.3Very high94.9Very high52 Ų5267.5 Ų67.524%0.24330%0.295CS..Hα-helixtrans-72.2-34176.8-178.152.8-154.300112.8L3 Y24 H25 E26 R31 T32 K192L3-E28 HydrophobicContact CD1-CB 3.92Å; L3-E28 HydrophobicContact CD1-CG 4.25Å; Y24-E28 PolarHBondContact O-N 3.25Å; H25-E28 PolarHBondContact O-N 3Å; E26-E28 VanDerWaalsContact C-N 3.3Å; E26-E28 PolarHBondContact O-N 3.29Å; E28-R31 PolarHBondContact O-N 3.09Å; E28-R31 WeakPolarHBondContact OE2-CD 3.43Å; E28-R31 IonicContact OE2-NH1 3.21Å; E28-T32 WeakPolarHBondContact O-CB 3.44Å; E28-T32 PolarHBondContact O-N 3.28Å; E28-T32 PolarHBondContact O-OG1 2.74Å; E28-K192 IonicContact OE1-NZ 3.24Å; E28-K192 PolarHBondContact OE1-NZ 3.34Å
29L93.9Very high94.9Very high17 Ų1769.6 Ų69.69%0.08931%0.306CS..Hα-helixtrans-63.3-41.8172.9-175.763.7000111.5H25 E26 T32 N33 I124 A127 V188H25-L29 WeakPolarHBondContact O-CB 3.45Å; H25-L29 PolarHBondContact O-N 2.96Å; E26-L29 PolarHBondContact O-N 2.86Å; L29-T32 WeakPolarHBondContact O-CB 3.31Å; L29-T32 PolarHBondContact O-N 3.41Å; L29-N33 WeakPolarHBondContact O-CB 3.39Å; L29-N33 PolarHBondContact O-N 3.29Å; L29-I124 HydrophobicContact CD1-CB 4.38Å; L29-I124 HydrophobicContact CD1-CD1 4.42Å; L29-I124 HydrophobicContact CD1-CG1 3.96Å; L29-I124 HydrophobicContact CD1-CG2 4.03Å; L29-I124 HydrophobicContact CG-CG2 4.27Å; L29-A127 HydrophobicContact CD2-CB 3.99Å; L29-V188 HydrophobicContact CD1-CG1 3.75Å
30E94.9Very high94.9Very high90 Ų9067 Ų6742%0.42130%0.297SS..Hα-helixtrans-72.2-35.8176.2-73.3-68.2-168.700113.5E26 T32 N33 K34 K128E26-E30 PolarHBondContact O-N 2.89Å; E30-T32 VanDerWaalsContact C-N 3.31Å; E30-T32 PolarHBondContact O-N 3.04Å; E30-N33 PolarHBondContact O-N 2.79Å; E30-N33 PolarHBondContact OE2-ND2 3.49Å; E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 PolarHBondContact O-N 2.87Å; E30-K128 VanDerWaalsContact OE1-CE 3.3Å; E30-K128 WeakPolarHBondContact OE1-CE 3.5Å; E30-K128 IonicContact OE1-NZ 3.13Å; E30-K128 PolarHBondContact OE1-NZ 3.16Å; E30-K128 IonicContact OE2-NZ 3.89Å; E30-K128 PolarHBondContact OE2-NZ 3.23Å
31R95.2Very high95.1Very high158 Ų15866.5 Ų66.560%0.59629%0.293SS*.Hα-helixtrans-58.7-45168.8-74.5167.6179.3173.70.8111I27 E28 K34 F35I27-R31 VanDerWaalsContact O-CG 3.25Å; I27-R31 WeakPolarHBondContact O-CG 3.31Å; I27-R31 PolarHBondContact O-N 2.9Å; E28-R31 PolarHBondContact O-N 3.09Å; E28-R31 WeakPolarHBondContact OE2-CD 3.43Å; E28-R31 IonicContact OE2-NH1 3.21Å; R31-K34 PolarHBondContact O-N 2.95Å; R31-F35 WeakPolarHBondContact O-CB 3.39Å; R31-F35 PolarHBondContact O-N 2.97Å
32T93.1Very high95.1Very high9 Ų967.7 Ų67.76%0.05530%0.304CS..Hα-helixtrans-61.2-49.7177-54.80000111.2E28 L29 E30 K34 F35 I36 I124 K192E28-T32 WeakPolarHBondContact O-CB 3.44Å; E28-T32 PolarHBondContact O-N 3.28Å; E28-T32 PolarHBondContact O-OG1 2.74Å; L29-T32 WeakPolarHBondContact O-CB 3.31Å; L29-T32 PolarHBondContact O-N 3.41Å; E30-T32 VanDerWaalsContact C-N 3.31Å; E30-T32 PolarHBondContact O-N 3.04Å; T32-K34 VanDerWaalsContact C-N 3.34Å; T32-K34 PolarHBondContact O-N 3Å; T32-F35 PolarHBondContact O-N 2.96Å; T32-I36 HydrophobicContact CG2-CD1 3.78Å; T32-I36 HydrophobicContact CG2-CG1 4.34Å; T32-I36 VanDerWaalsContact O-CG1 3.31Å; T32-I36 WeakPolarHBondContact O-CG1 3.32Å; T32-I36 PolarHBondContact O-N 2.89Å; T32-I124 HydrophobicContact CG2-CD1 4.11Å; T32-K192 HydrophobicContact CG2-CD 3.97Å; T32-K192 PolarHBondContact OG1-NZ 2.96Å
33N94.9Very high95.1Very high27 Ų2767.9 Ų67.914%0.14431%0.306CS..Hα-helixtrans-53.4-47174.8170.435.1000112.5L29 E30 K37 R120 I124 K128L29-N33 WeakPolarHBondContact O-CB 3.39Å; L29-N33 PolarHBondContact O-N 3.29Å; E30-N33 PolarHBondContact O-N 2.79Å; E30-N33 PolarHBondContact OE2-ND2 3.49Å; N33-K37 WeakPolarHBondContact O-CB 3.49Å; N33-K37 PolarHBondContact O-N 3.15Å; N33-K37 VanDerWaalsContact O-N 3.15Å; N33-R120 PolarHBondContact OD1-NE 2.91Å; N33-I124 HydrophobicContact CB-CD1 4.25Å; N33-I124 HydrophobicContact CB-CG2 4.12Å; N33-K128 PolarHBondContact ND2-NZ 2.82Å; N33-K128 VanDerWaalsContact ND2-NZ 3.15Å
34K96.3Very high95.1Very high148 Ų14864.5 Ų64.564%0.64330%0.295SS*.Hα-helixtrans-65.4-45.7177.9-174.4-179.5177.6-176.80111.6E30 R31 T32 K37 E38E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 PolarHBondContact O-N 2.87Å; R31-K34 PolarHBondContact O-N 2.95Å; T32-K34 VanDerWaalsContact C-N 3.34Å; T32-K34 PolarHBondContact O-N 3Å; K34-K37 WeakPolarHBondContact O-CB 3.38Å; K34-K37 PolarHBondContact O-N 3.19Å; K34-E38 PolarHBondContact O-N 3.39Å; K34-E38 VanDerWaalsContact O-N 3.13Å
35F94.8Very high95.2Very high123 Ų12364.6 Ų64.654%0.53930%0.301SS..Hα-helixtrans-61.6-47.1-179.7-180-115.3000112.1R31 T32 K37 E38 L39 F196R31-F35 WeakPolarHBondContact O-CB 3.39Å; R31-F35 PolarHBondContact O-N 2.97Å; T32-F35 PolarHBondContact O-N 2.96Å; F35-K37 VanDerWaalsContact C-N 3.3Å; F35-K37 PolarHBondContact O-N 3.19Å; F35-E38 PolarHBondContact O-N 2.91Å; F35-L39 WeakPolarHBondContact O-CB 3.45Å; F35-L39 PolarHBondContact O-N 3.38Å; F35-F196 HydrophobicContact CD1-CZ 4.13Å; F35-F196 HydrophobicContact CE1-CE1 4.12Å; F35-F196 AromaticContact CE1-CZ 3.63Å; F35-F196 HydrophobicContact CE1-CZ 3.63Å
36I94.6Very high95.2Very high1 Ų167.5 Ų67.51%0.00532%0.317CS..Hα-helixtrans-60.8-40.3176.9-64174.6000110.9T32 E38 L39 I40 L116 F119 R120 I124 F196T32-I36 HydrophobicContact CG2-CD1 3.78Å; T32-I36 HydrophobicContact CG2-CG1 4.34Å; T32-I36 VanDerWaalsContact O-CG1 3.31Å; T32-I36 WeakPolarHBondContact O-CG1 3.32Å; T32-I36 PolarHBondContact O-N 2.89Å; I36-E38 PolarHBondContact O-N 3.47Å; I36-L39 PolarHBondContact O-N 2.89Å; I36-I40 HydrophobicContact CG2-CD1 3.65Å; I36-I40 HydrophobicContact CG2-CG1 4.32Å; I36-I40 WeakPolarHBondContact O-CD1 3.48Å; I36-I40 VanDerWaalsContact O-CG1 3.27Å; I36-I40 WeakPolarHBondContact O-CG1 3.47Å; I36-I40 PolarHBondContact O-N 3.38Å; I36-L116 HydrophobicContact CG2-CB 4.28Å; I36-F119 HydrophobicContact CD1-CD1 3.61Å; I36-F119 HydrophobicContact CD1-CE1 3.83Å; I36-R120 HydrophobicContact CG2-CB 3.99Å; I36-I124 HydrophobicContact CD1-CD1 4.04Å; I36-F196 HydrophobicContact CD1-CD2 4.16Å; I36-F196 HydrophobicContact CD1-CE2 4.37Å; I36-F196 HydrophobicContact CG1-CD2 4.05Å; I36-F196 HydrophobicContact CG1-CE2 3.75Å
37K96Very high95.2Very high112 Ų11265.7 Ų65.749%0.48731%0.308SS..Hα-helixtrans-61-44.8177.7-170.1-164.3172-161.60112.6N33 K34 F35 K41N33-K37 WeakPolarHBondContact O-CB 3.49Å; N33-K37 PolarHBondContact O-N 3.15Å; N33-K37 VanDerWaalsContact O-N 3.15Å; K34-K37 WeakPolarHBondContact O-CB 3.38Å; K34-K37 PolarHBondContact O-N 3.19Å; F35-K37 VanDerWaalsContact C-N 3.3Å; F35-K37 PolarHBondContact O-N 3.19Å; K37-K41 PolarHBondContact O-N 3.19Å
38E96.9Very high95.2Very high65 Ų6566.1 Ų66.130%0.30431%0.314SS..Hα-helixtrans-71.5-37.5177.5-58.6-55128.100111.4K34 F35 I36 I40 K41 D42K34-E38 PolarHBondContact O-N 3.39Å; K34-E38 VanDerWaalsContact O-N 3.13Å; F35-E38 PolarHBondContact O-N 2.91Å; I36-E38 PolarHBondContact O-N 3.47Å; E38-I40 PolarHBondContact O-N 2.91Å; E38-K41 WeakPolarHBondContact O-CA 3.35Å; E38-K41 VanDerWaalsContact O-CB 3.28Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.2Å; E38-K41 IonicContact OE2-NZ 2.71Å; E38-K41 PolarHBondContact OE2-NZ 3.14Å; E38-D42 VanDerWaalsContact O-CG 3.27Å; E38-D42 PolarHBondContact O-N 2.89Å
39L94.7Very high95.3Very high43 Ų4366.4 Ų66.423%0.22533%0.326CS..Hα-helixtrans-61.7-39.6175-178.761.5000113F35 I36 K41 D42 G43 L116 F196 L200F35-L39 WeakPolarHBondContact O-CB 3.45Å; F35-L39 PolarHBondContact O-N 3.38Å; I36-L39 PolarHBondContact O-N 2.89Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.12Å; L39-D42 PolarHBondContact O-N 2.9Å; L39-G43 PolarHBondContact O-N 2.74Å; L39-L116 HydrophobicContact CD2-CD1 4.03Å; L39-L116 HydrophobicContact CG-CD1 4.27Å; L39-F196 HydrophobicContact CD2-CE2 3.73Å; L39-F196 HydrophobicContact CD2-CZ 3.49Å; L39-F196 VanDerWaalsContact CD2-CZ 3.49Å; L39-L200 HydrophobicContact CD2-CD2 4.43Å
40I95.8Very high95.4Very high12 Ų1267 Ų676%0.06233%0.329CS..Hα-helixtrans-61.3-41172.7-71.6157.3000110.8I36 E38 N44 I113 L116 E117I36-I40 HydrophobicContact CG2-CD1 3.65Å; I36-I40 HydrophobicContact CG2-CG1 4.32Å; I36-I40 WeakPolarHBondContact O-CD1 3.48Å; I36-I40 VanDerWaalsContact O-CG1 3.27Å; I36-I40 WeakPolarHBondContact O-CG1 3.47Å; I36-I40 PolarHBondContact O-N 3.38Å; E38-I40 PolarHBondContact O-N 2.91Å; I40-N44 WeakPolarHBondContact O-CB 3.49Å; I40-N44 PolarHBondContact O-N 2.74Å; I40-N44 PolarHBondContact O-ND2 3.43Å; I40-I113 HydrophobicContact CG2-CG2 4.27Å; I40-L116 HydrophobicContact CD1-CB 4.09Å; I40-L116 HydrophobicContact CG1-CB 3.8Å; I40-L116 HydrophobicContact CG1-CD1 4.47Å; I40-E117 HydrophobicContact CD1-CG 4.03Å; I40-E117 HydrophobicContact CG2-CG 4.34Å
41K97.3Very high95.4Very high101 Ų10167.9 Ų67.944%0.43933%0.331SS..Hα-helixtrans-64.4-47.5177.6-169.9-164.983.3-161.20111.2K37 E38 L39 N44 M45K37-K41 PolarHBondContact O-N 3.19Å; E38-K41 WeakPolarHBondContact O-CA 3.35Å; E38-K41 VanDerWaalsContact O-CB 3.28Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.2Å; E38-K41 IonicContact OE2-NZ 2.71Å; E38-K41 PolarHBondContact OE2-NZ 3.14Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.12Å; K41-N44 WeakPolarHBondContact O-CB 3.4Å; K41-N44 PolarHBondContact O-N 3.25Å; K41-M45 WeakPolarHBondContact O-CG 3.34Å; K41-M45 PolarHBondContact O-N 2.98Å
42D96.1Very high95.4Very high81 Ų8164 Ų6443%0.43333%0.328SS..Hα-helixtrans-69.8-36.6-178.2-62.4-15.7000111.2E38 L39 M45 L46E38-D42 VanDerWaalsContact O-CG 3.27Å; E38-D42 PolarHBondContact O-N 2.89Å; L39-D42 PolarHBondContact O-N 2.9Å; D42-M45 WeakPolarHBondContact O-CB 3.5Å; D42-M45 PolarHBondContact O-N 3.02Å; D42-L46 PolarHBondContact O-N 2.96Å
43G94.8Very high95.6Very high8 Ų867.8 Ų67.88%0.08235%0.347CS..Hα-helixtrans-61.7-42.2169.600000112.9L39 M45 L46 I47L39-G43 PolarHBondContact O-N 2.74Å; G43-M45 VanDerWaalsContact C-N 3.35Å; G43-M45 PolarHBondContact O-N 2.96Å; G43-L46 PolarHBondContact O-N 2.98Å; G43-I47 VanDerWaalsContact O-CG1 3.31Å; G43-I47 WeakPolarHBondContact O-CG1 3.46Å; G43-I47 PolarHBondContact O-N 3.36Å
44N95.8Very high95.6Very high61 Ų6166.7 Ų66.733%0.32634%0.342SS..Hα-helixtrans-63.7-37.6172.6-90.1-83.2000112.6I40 K41 T48I40-N44 WeakPolarHBondContact O-CB 3.49Å; I40-N44 PolarHBondContact O-N 2.74Å; I40-N44 PolarHBondContact O-ND2 3.43Å; K41-N44 WeakPolarHBondContact O-CB 3.4Å; K41-N44 PolarHBondContact O-N 3.25Å; N44-T48 WeakPolarHBondContact O-CB 3.38Å; N44-T48 PolarHBondContact O-N 2.97Å; N44-T48 PolarHBondContact O-OG1 3.12Å
45M96.7Very high95.6Very high119 Ų11962.4 Ų62.459%0.58633%0.334SS*.Hα-helixtrans-64.5-41.8173.3-72.2177.359.900111.7K41 D42 G43 T48 A49K41-M45 WeakPolarHBondContact O-CG 3.34Å; K41-M45 PolarHBondContact O-N 2.98Å; D42-M45 WeakPolarHBondContact O-CB 3.5Å; D42-M45 PolarHBondContact O-N 3.02Å; G43-M45 VanDerWaalsContact C-N 3.35Å; G43-M45 PolarHBondContact O-N 2.96Å; M45-T48 PolarHBondContact O-N 3.45Å; M45-A49 PolarHBondContact O-N 2.84Å
46L94.6Very high95.7Very high79 Ų7959.4 Ų59.441%0.41433%0.332SS..Hα-helixtrans-61.9-48.7174.3176.260.7000112D42 G43 T48 A49 L50 F203D42-L46 PolarHBondContact O-N 2.96Å; G43-L46 PolarHBondContact O-N 2.98Å; L46-T48 VanDerWaalsContact C-N 3.25Å; L46-T48 PolarHBondContact O-N 3.39Å; L46-A49 PolarHBondContact O-N 3.46Å; L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.36Å; L46-L50 HydrophobicContact CG-CD1 4.22Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 3Å; L46-F203 HydrophobicContact CD2-CE1 3.9Å; L46-F203 HydrophobicContact CD2-CZ 3.81Å
47I93.7Very high95.8Very high3 Ų360.7 Ų60.72%0.01534%0.34CS..Hα-helixtrans-59.2-38.7176.1-69.1166.6000110.8G43 L50 K51 A108 I113G43-I47 VanDerWaalsContact O-CG1 3.31Å; G43-I47 WeakPolarHBondContact O-CG1 3.46Å; G43-I47 PolarHBondContact O-N 3.36Å; I47-L50 PolarHBondContact O-N 3.05Å; I47-K51 HydrophobicContact CG2-CD 4.1Å; I47-K51 VanDerWaalsContact O-CG 3.28Å; I47-K51 WeakPolarHBondContact O-CG 3.38Å; I47-K51 PolarHBondContact O-N 3.1Å; I47-A108 HydrophobicContact CD1-CB 3.71Å; I47-A108 HydrophobicContact CG1-CB 3.84Å; I47-I113 HydrophobicContact CD1-CD1 4.02Å; I47-I113 HydrophobicContact CD1-CG1 3.65Å
48T95.8Very high95.8Very high80 Ų8059 Ų5949%0.49133%0.333SS..Hα-helixtrans-66.3-44.9176.2-58.50000111.7N44 M45 L46 L50 K51 S52N44-T48 WeakPolarHBondContact O-CB 3.38Å; N44-T48 PolarHBondContact O-N 2.97Å; N44-T48 PolarHBondContact O-OG1 3.12Å; M45-T48 PolarHBondContact O-N 3.45Å; L46-T48 VanDerWaalsContact C-N 3.25Å; L46-T48 PolarHBondContact O-N 3.39Å; T48-L50 VanDerWaalsContact C-N 3.35Å; T48-L50 PolarHBondContact O-N 3Å; T48-K51 WeakPolarHBondContact O-CB 3.23Å; T48-K51 PolarHBondContact O-N 3.47Å; T48-S52 PolarHBondContact O-N 2.88Å; T48-S52 PolarHBondContact O-OG 3.09Å
49A96.6Very high95.7Very high58 Ų5863.1 Ų63.148%0.47935%0.35SS..Hα-helixtrans-61.6-41176.200000112.3M45 L46 S52 L53M45-A49 PolarHBondContact O-N 2.84Å; L46-A49 PolarHBondContact O-N 3.46Å; A49-S52 PolarHBondContact O-N 2.89Å; A49-L53 WeakPolarHBondContact O-CB 3.05Å; A49-L53 PolarHBondContact O-N 3.45Å
50L94.2Very high95.8Very high29 Ų2966.9 Ų66.915%0.15237%0.365CS..Hα-helixtrans-63.7-39.7174.8-69.2169.4000112.1L46 I47 T48 L53 S54 I105L46-L50 HydrophobicContact CD1-CD1 4.3Å; L46-L50 HydrophobicContact CD1-CG 4.36Å; L46-L50 HydrophobicContact CG-CD1 4.22Å; L46-L50 WeakPolarHBondContact O-CG 3.4Å; L46-L50 PolarHBondContact O-N 3Å; I47-L50 PolarHBondContact O-N 3.05Å; T48-L50 VanDerWaalsContact C-N 3.35Å; T48-L50 PolarHBondContact O-N 3Å; L50-L53 PolarHBondContact O-N 2.8Å; L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 3.03Å; L50-I105 HydrophobicContact CB-CD1 3.85Å; L50-I105 HydrophobicContact CB-CG1 3.72Å; L50-I105 WeakPolarHBondContact O-CD1 3.42Å
51K94.8Very high95.9Very high109 Ų10966.3 Ų66.347%0.47436%0.363SS..Hα-helixtrans-61.8-46.4172.8-74166.7-178.8172.80111.5I47 T48 S54 A55 I105I47-K51 HydrophobicContact CG2-CD 4.1Å; I47-K51 VanDerWaalsContact O-CG 3.28Å; I47-K51 WeakPolarHBondContact O-CG 3.38Å; I47-K51 PolarHBondContact O-N 3.1Å; T48-K51 WeakPolarHBondContact O-CB 3.23Å; T48-K51 PolarHBondContact O-N 3.47Å; K51-S54 PolarHBondContact O-N 2.79Å; K51-A55 PolarHBondContact O-N 3.05Å; K51-I105 HydrophobicContact CD-CG2 4.14Å; K51-I105 VanDerWaalsContact CE-CG2 3.48Å; K51-I105 HydrophobicContact CG-CG2 3.52Å
52S96.4Very high95.7Very high76 Ų7666.7 Ų66.753%0.53137%0.366SS..Hα-helixtrans-62.2-42.3176.5-63.10000112.9T48 A49 A55 A56T48-S52 PolarHBondContact O-N 2.88Å; T48-S52 PolarHBondContact O-OG 3.09Å; A49-S52 PolarHBondContact O-N 2.89Å; S52-A55 PolarHBondContact O-N 3.18Å; S52-A56 PolarHBondContact O-N 2.91Å; S52-A56 VanDerWaalsContact O-N 3.09Å
53L96.1Very high95.7Very high88 Ų8866 Ų6646%0.46137%0.367SS..Hα-helixtrans-62.4-44.5175.6-177.565.7000111.3A49 L50 A55 A56 V57A49-L53 WeakPolarHBondContact O-CB 3.05Å; A49-L53 PolarHBondContact O-N 3.45Å; L50-L53 PolarHBondContact O-N 2.8Å; L53-A55 PolarHBondContact O-N 2.87Å; L53-A56 WeakPolarHBondContact O-CB 3.2Å; L53-A56 PolarHBondContact O-N 2.8Å; L53-V57 WeakPolarHBondContact O-CG2 3.33Å; L53-V57 PolarHBondContact O-N 2.82Å
54S95.8Very high95.6Very high5 Ų566.7 Ų66.74%0.03537%0.369CS..Hα-helixtrans-64-42.1179.9-166.40000112.5L50 K51 A56 V57 Q58 E98L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 3.03Å; K51-S54 PolarHBondContact O-N 2.79Å; S54-A56 VanDerWaalsContact C-N 3.31Å; S54-A56 PolarHBondContact O-N 3.27Å; S54-V57 PolarHBondContact O-N 3.17Å; S54-Q58 WeakPolarHBondContact O-CB 3.48Å; S54-Q58 VanDerWaalsContact O-CG 3.25Å; S54-Q58 WeakPolarHBondContact O-CG 3.36Å; S54-Q58 PolarHBondContact O-N 3.4Å; S54-Q58 PolarHBondContact OG-NE2 3.2Å; S54-E98 WeakPolarHBondContact CA-OE2 3.39Å; S54-E98 WeakPolarHBondContact CB-OE2 3.09Å; S54-E98 PolarHBondContact OG-OE2 3.45Å
55A95.4Very high95.4Very high58 Ų5868 Ų6848%0.47937%0.373SS..Hα-helixtrans-61.6-37.417400000112.7K51 S52 L53 K59K51-A55 PolarHBondContact O-N 3.05Å; S52-A55 PolarHBondContact O-N 3.18Å; L53-A55 PolarHBondContact O-N 2.87Å; A55-K59 WeakPolarHBondContact O-CB 3.41Å; A55-K59 PolarHBondContact O-N 3.13Å; A55-K59 VanDerWaalsContact O-N 3.13Å
56A97.3Very high95.1Very high59 Ų5968.1 Ų68.149%0.48837%0.372SS..Hα-helixtrans-66.7-45.6176.600000112.4S52 L53 S54 K59 F60S52-A56 PolarHBondContact O-N 2.91Å; S52-A56 VanDerWaalsContact O-N 3.09Å; L53-A56 WeakPolarHBondContact O-CB 3.2Å; L53-A56 PolarHBondContact O-N 2.8Å; S54-A56 VanDerWaalsContact C-N 3.31Å; S54-A56 PolarHBondContact O-N 3.27Å; A56-K59 PolarHBondContact O-N 3.39Å; A56-F60 PolarHBondContact O-N 3.48Å
57V96.9Very high94.7Very high29 Ų2968.9 Ų68.918%0.17637%0.372CS..Hα-helixtrans-67.6-42.2178.6178.80000111.4L53 S54 K59 F60 S61 L94 E98L53-V57 WeakPolarHBondContact O-CG2 3.33Å; L53-V57 PolarHBondContact O-N 2.82Å; S54-V57 PolarHBondContact O-N 3.17Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 2.94Å; V57-F60 PolarHBondContact O-N 3.43Å; V57-S61 VanDerWaalsContact O-CB 3.3Å; V57-S61 WeakPolarHBondContact O-CB 3.35Å; V57-S61 PolarHBondContact O-N 3.48Å; V57-L94 HydrophobicContact CG1-CB 4.24Å; V57-L94 HydrophobicContact CG1-CD2 4.07Å; V57-E98 HydrophobicContact CB-CG 3.92Å; V57-E98 WeakPolarHBondContact CB-OE1 3.38Å; V57-E98 HydrophobicContact CG1-CG 3.61Å; V57-E98 VanDerWaalsContact CG1-OE1 3.24Å; V57-E98 WeakPolarHBondContact CG1-OE1 3.38Å; V57-E98 WeakPolarHBondContact CG2-OE1 3.4Å
58Q95.6Very high94Very high75 Ų7576.1 Ų76.135%0.3541%0.406SS..Hα-helixtrans-58.4-44.3175.4-71.9171.126.900111.7S54 S61 Q62 E98S54-Q58 WeakPolarHBondContact O-CB 3.48Å; S54-Q58 VanDerWaalsContact O-CG 3.25Å; S54-Q58 WeakPolarHBondContact O-CG 3.36Å; S54-Q58 PolarHBondContact O-N 3.4Å; S54-Q58 PolarHBondContact OG-NE2 3.2Å; Q58-S61 WeakPolarHBondContact O-CB 3.42Å; Q58-S61 PolarHBondContact O-N 3.22Å; Q58-Q62 PolarHBondContact O-N 2.82Å; Q58-E98 HydrophobicContact CG-CB 4.3Å; Q58-E98 HydrophobicContact CG-CG 4.22Å
59K96Very high92.9Very high152 Ų15276.8 Ų76.866%0.66140%0.402SS*.Hα-helixtrans-63.6-41.2176.6-176.1180178.5-177.80112.8A55 A56 V57 Q62 S63A55-K59 WeakPolarHBondContact O-CB 3.41Å; A55-K59 PolarHBondContact O-N 3.13Å; A55-K59 VanDerWaalsContact O-N 3.13Å; A56-K59 PolarHBondContact O-N 3.39Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 2.94Å; K59-Q62 PolarHBondContact O-N 3.25Å; K59-S63 PolarHBondContact O-N 2.85Å; K59-S63 PolarHBondContact O-OG 2.74Å
60F96.9Very high91.8Very high123 Ų12382.4 Ų82.454%0.53942%0.419SS..Hα-helixtrans-63.2-46174179.3-118.4000110.8A56 V57 Q62 S63 L64 L94A56-F60 PolarHBondContact O-N 3.48Å; V57-F60 PolarHBondContact O-N 3.43Å; F60-Q62 VanDerWaalsContact C-N 3.32Å; F60-Q62 PolarHBondContact O-N 3.38Å; F60-S63 WeakPolarHBondContact O-CA 3.34Å; F60-S63 WeakPolarHBondContact O-CB 3.4Å; F60-S63 PolarHBondContact O-N 3.16Å; F60-L64 HydrophobicContact CD1-CD1 4.27Å; F60-L64 HydrophobicContact CE1-CD1 3.83Å; F60-L64 HydrophobicContact CE1-CD2 4.47Å; F60-L64 HydrophobicContact CE1-CG 4.33Å; F60-L64 HydrophobicContact CE2-CD2 4.04Å; F60-L64 HydrophobicContact CE2-CG 4.46Å; F60-L64 HydrophobicContact CZ-CD1 4.1Å; F60-L64 HydrophobicContact CZ-CD2 3.92Å; F60-L64 HydrophobicContact CZ-CG 4.25Å; F60-L64 PolarHBondContact O-N 3.22Å; F60-L94 HydrophobicContact CD1-CD1 3.87Å; F60-L94 HydrophobicContact CE1-CD1 4.07Å
61S96.4Very high90.8Very high0 Ų082.2 Ų82.20%042%0.42CS..Hα-helixtrans-57.4-41.1177-154.60000112.8V57 Q58 L64 Q65 S91 N95V57-S61 VanDerWaalsContact O-CB 3.3Å; V57-S61 WeakPolarHBondContact O-CB 3.35Å; V57-S61 PolarHBondContact O-N 3.48Å; Q58-S61 WeakPolarHBondContact O-CB 3.42Å; Q58-S61 PolarHBondContact O-N 3.22Å; S61-L64 PolarHBondContact O-N 3.16Å; S61-Q65 PolarHBondContact O-N 3.24Å; S61-Q65 VanDerWaalsContact O-N 3.08Å; S61-S91 WeakPolarHBondContact O-CB 3.33Å; S61-S91 PolarHBondContact O-OG 3.49Å; S61-S91 VanDerWaalsContact OG-CA 3.31Å; S61-S91 WeakPolarHBondContact OG-CA 3.31Å; S61-S91 PolarHBondContact OG-O 3.41Å; S61-S91 PolarHBondContact OG-OG 3.37Å; S61-N95 PolarHBondContact OG-ND2 2.93Å
62Q94.8Very high89.5Confident109 Ų10983.6 Ų83.651%0.50943%0.43SS..Hα-helixtrans-61.4-42.3172.6-179.2177.8-2.600111.9Q58 K59 F60 L64 Q65 E66Q58-Q62 PolarHBondContact O-N 2.82Å; K59-Q62 PolarHBondContact O-N 3.25Å; F60-Q62 VanDerWaalsContact C-N 3.32Å; F60-Q62 PolarHBondContact O-N 3.38Å; Q62-L64 VanDerWaalsContact C-N 3.29Å; Q62-L64 PolarHBondContact O-N 2.96Å; Q62-Q65 WeakPolarHBondContact O-CB 3.45Å; Q62-Q65 PolarHBondContact O-N 2.96Å; Q62-E66 HydrophobicContact CG-CG 4.36Å; Q62-E66 VanDerWaalsContact CG-OE1 3.31Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.23Å; Q62-E66 PolarHBondContact NE2-OE1 3.29Å; Q62-E66 WeakPolarHBondContact O-CG 3.38Å; Q62-E66 PolarHBondContact O-N 3.47Å
63S95.1Very high88.1Confident65 Ų6581.9 Ų81.946%0.45543%0.425SS..Hα-helixtrans-63.7-34.7178.7-54.90000112.2K59 F60 F67K59-S63 PolarHBondContact O-N 2.85Å; K59-S63 PolarHBondContact O-OG 2.74Å; F60-S63 WeakPolarHBondContact O-CA 3.34Å; F60-S63 WeakPolarHBondContact O-CB 3.4Å; F60-S63 PolarHBondContact O-N 3.16Å; S63-F67 PolarHBondContact O-N 3.08Å
64L93.2Very high86.8Confident24 Ų2483.6 Ų83.613%0.12643%0.434CS..Hα-helixtrans-70.8-31.7172.5-56-177.5000112.8F60 S61 Q62 F87 F90 L94F60-L64 HydrophobicContact CD1-CD1 4.27Å; F60-L64 HydrophobicContact CE1-CD1 3.83Å; F60-L64 HydrophobicContact CE1-CD2 4.47Å; F60-L64 HydrophobicContact CE1-CG 4.33Å; F60-L64 HydrophobicContact CE2-CD2 4.04Å; F60-L64 HydrophobicContact CE2-CG 4.46Å; F60-L64 HydrophobicContact CZ-CD1 4.1Å; F60-L64 HydrophobicContact CZ-CD2 3.92Å; F60-L64 HydrophobicContact CZ-CG 4.25Å; F60-L64 PolarHBondContact O-N 3.22Å; S61-L64 PolarHBondContact O-N 3.16Å; Q62-L64 VanDerWaalsContact C-N 3.29Å; Q62-L64 PolarHBondContact O-N 2.96Å; L64-F87 HydrophobicContact CB-CB 4.42Å; L64-F87 WeakPolarHBondContact CB-O 2.99Å; L64-F87 HydrophobicContact CD2-CD1 4.11Å; L64-F87 WeakPolarHBondContact O-CB 3.47Å; L64-F90 HydrophobicContact CD1-CB 4.15Å; L64-L94 HydrophobicContact CD1-CD1 3.9Å
65Q91.3Very high85.7Confident89 Ų8984.4 Ų84.442%0.41644%0.442SS..Hα-helixtrans-75.2-34.6179.6-171.763.426.500112.8S61 Q62S61-Q65 PolarHBondContact O-N 3.24Å; S61-Q65 VanDerWaalsContact O-N 3.08Å; Q62-Q65 WeakPolarHBondContact O-CB 3.45Å; Q62-Q65 PolarHBondContact O-N 2.96Å
66E89.3Confident84.9Confident121 Ų12185.3 Ų85.357%0.56544%0.436SS*.Hα-helixtrans-81.2-22.4179.6-71.1175.3-176.800113Q62Q62-E66 HydrophobicContact CG-CG 4.36Å; Q62-E66 VanDerWaalsContact CG-OE1 3.31Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.23Å; Q62-E66 PolarHBondContact NE2-OE1 3.29Å; Q62-E66 WeakPolarHBondContact O-CG 3.38Å; Q62-E66 PolarHBondContact O-N 3.47Å
67F86.2Confident84Confident95 Ų9583.3 Ų83.342%0.41742%0.418SS..  trans-63.7133.5179.5-174.8-106000112.2S63 F69 F87S63-F67 PolarHBondContact O-N 3.08Å; F67-F69 HydrophobicContact CE1-CB 3.93Å; F67-F69 HydrophobicContact CE1-CD2 4.04Å; F67-F69 HydrophobicContact CZ-CD2 4.27Å; F67-F87 AromaticContact CD1-CD2 3.65Å; F67-F87 HydrophobicContact CD1-CD2 3.65Å; F67-F87 AromaticContact CD1-CE2 3.86Å; F67-F87 HydrophobicContact CD1-CE2 3.86Å; F67-F87 HydrophobicContact CD1-CG 4.09Å; F67-F87 HydrophobicContact CD1-CZ 4.47Å; F67-F87 AromaticContact CE1-CD2 3.92Å; F67-F87 HydrophobicContact CE1-CD2 3.92Å; F67-F87 AromaticContact CE1-CE2 3.65Å; F67-F87 HydrophobicContact CE1-CE2 3.65Å; F67-F87 HydrophobicContact CE1-CZ 4.23Å
68Q79.7Confident83.2Confident155 Ų15585.1 Ų85.172%0.72443%0.427SS*.  trans-122.1125.5173.7-63.9-17844.600108.2
69F73.7Confident82.6Confident94 Ų9483.1 Ų83.141%0.41242%0.418SS..PPolyproline II helixtrans-96.5119.7177.9-172-97.3000108F67 C71 A84F67-F69 HydrophobicContact CE1-CB 3.93Å; F67-F69 HydrophobicContact CE1-CD2 4.04Å; F67-F69 HydrophobicContact CZ-CD2 4.27Å; F69-C71 VanDerWaalsContact CE1-SG 3.59Å; F69-A84 HydrophobicContact CB-CB 3.95Å; F69-A84 HydrophobicContact CD1-CB 4.1Å; F69-A84 HydrophobicContact CG-CB 4.45Å
70E73.7Confident81.9Confident176 Ų17677.4 Ų77.482%0.82239%0.394SS*.PPolyproline II helixtrans-101.5117176.8-64.6-172.9154.900109.6
71C71.9Confident81.3Confident25 Ų2574.9 Ų74.917%0.16939%0.388CS..PPolyproline II helixtrans-80.1150.9175.6-56.30000111.9F69 G73 E76F69-C71 VanDerWaalsContact CE1-SG 3.59Å; C71-G73 PolarHBondContact O-N 2.82Å; C71-E76 HydrophobicContact CB-CG 3.97Å; C71-E76 WeakPolarHBondContact CB-OE1 3.31Å; C71-E76 PolarHBondContact N-OE1 3.06Å; C71-E76 PolarHBondContact SG-OE1 3.47Å
72I67.3Low80.8Confident137 Ų13777.2 Ų77.270%0.70340%0.401SS*.SBendtrans-83.8105.7179.2-51.4179.4000110.2M571I72-M571 HydrophobicContact CB-CE 4.39Å; I72-M571 HydrophobicContact CG2-CE 3.45Å; I72-M571 VanDerWaalsContact CG2-CE 3.45Å; I72-M571 HydrophobicContact CG2-SD 4.2Å
73G66.9Low80.4Confident40 Ų4072.9 Ų72.941%0.41238%0.381SS..SBendtrans155.9172.8171.600000112.3C71 A75C71-G73 PolarHBondContact O-N 2.82Å; G73-A75 PolarHBondContact O-N 3.35Å
74D69.5Low79.9Confident124 Ų12470.4 Ų70.466%0.66337%0.365SS*.SBendtrans-73.8-11177.2-59.4-57.4000113.9
75A72.6Confident79.7Confident23 Ų2372.3 Ų72.319%0.1937%0.373CS..SBendtrans-156.5152.8179.500000111.1G73 K501 K574 F575G73-A75 PolarHBondContact O-N 3.35Å; A75-K501 HydrophobicContact CB-CB 4.29Å; A75-K501 HydrophobicContact CB-CD 3.72Å; A75-K501 HydrophobicContact CB-CG 3.77Å; A75-K574 PolarHBondContact O-NZ 3.35Å; A75-F575 HydrophobicContact CB-CE2 4.29Å; A75-F575 HydrophobicContact CB-CZ 3.82Å
76E77.7Confident79.8Confident77 Ų7768.3 Ų68.336%0.3636%0.355SS..  trans-101.4161.2178.2-50.1-168.1131.500110.4C71 E80 V81C71-E76 HydrophobicContact CB-CG 3.97Å; C71-E76 WeakPolarHBondContact CB-OE1 3.31Å; C71-E76 PolarHBondContact N-OE1 3.06Å; C71-E76 PolarHBondContact SG-OE1 3.47Å; E76-E80 VanDerWaalsContact CA-OE2 3.27Å; E76-E80 WeakPolarHBondContact CA-OE2 3.27Å; E76-E80 HydrophobicContact CB-CB 4.26Å; E76-V81 HydrophobicContact CB-CG2 3.8Å
77T79.3Confident79.9Confident17 Ų1765.5 Ų65.510%0.10434%0.341CS..  trans-97.7163.6170.163.80000111.2D79 E80 V81 K574 F575 I578T77-D79 PolarHBondContact O-N 3.05Å; T77-E80 PolarHBondContact N-OE2 3.39Å; T77-E80 PolarHBondContact O-N 3.14Å; T77-E80 WeakPolarHBondContact OG1-CG 3.24Å; T77-E80 PolarHBondContact OG1-N 3.46Å; T77-E80 PolarHBondContact OG1-OE2 3.42Å; T77-V81 WeakPolarHBondContact O-CG2 3.49Å; T77-V81 PolarHBondContact O-N 3.22Å; T77-K574 HydrophobicContact CG2-CB 4.41Å; T77-K574 HydrophobicContact CG2-CD 3.69Å; T77-K574 HydrophobicContact CG2-CG 3.89Å; T77-F575 HydrophobicContact CG2-CD1 4.43Å; T77-F575 HydrophobicContact CG2-CE1 3.85Å; T77-F575 HydrophobicContact CG2-CZ 4.13Å; T77-I578 HydrophobicContact CG2-CD1 3.85Å
78D80Confident80.2Confident67 Ų6763.2 Ų63.236%0.35833%0.33SS..Hα-helixtrans-56.2-37.4177.1-60.6-54.8000112.1N82 R508D78-N82 WeakPolarHBondContact O-CB 3.44Å; D78-N82 PolarHBondContact O-N 3.22Å; D78-N82 PolarHBondContact O-ND2 3.29Å; D78-R508 IonicContact OD1-NH2 3.84Å; D78-R508 PolarHBondContact OD1-NH2 2.77Å; D78-R508 IonicContact OD2-CZ 2.84Å; D78-R508 IonicContact OD2-NH1 2.99Å; D78-R508 PolarHBondContact OD2-NH1 3.21Å; D78-R508 IonicContact OD2-NH2 2.84Å; D78-R508 PolarHBondContact OD2-NH2 2.81Å
79D83.3Confident80.9Confident32 Ų3256.9 Ų56.917%0.17130%0.301CS..Hα-helixtrans-60.6-49.9173-82.6-23.4000111.9T77 V81 N82 I83 N231 N234T77-D79 PolarHBondContact O-N 3.05Å; D79-V81 PolarHBondContact O-N 3.35Å; D79-N82 PolarHBondContact O-N 2.89Å; D79-I83 WeakPolarHBondContact O-CB 3.28Å; D79-I83 WeakPolarHBondContact O-CD1 3.33Å; D79-I83 VanDerWaalsContact O-CG1 3.25Å; D79-I83 WeakPolarHBondContact O-CG1 3.33Å; D79-I83 PolarHBondContact O-N 3.09Å; D79-N231 HydrophobicContact CB-CB 4.41Å; D79-N231 VanDerWaalsContact OD1-CB 3.31Å; D79-N231 WeakPolarHBondContact OD1-CB 3.39Å; D79-N231 PolarHBondContact OD1-ND2 3.39Å; D79-N234 WeakPolarHBondContact OD2-CB 3.33Å
80E81.8Confident81.9Confident32 Ų3255.6 Ų55.615%0.1530%0.295CS..Hα-helixtrans-61.8-43.4-179.7-74168.2160.200111.5E76 T77 I83 A84 K574E76-E80 VanDerWaalsContact CA-OE2 3.27Å; E76-E80 WeakPolarHBondContact CA-OE2 3.27Å; E76-E80 HydrophobicContact CB-CB 4.26Å; T77-E80 PolarHBondContact N-OE2 3.39Å; T77-E80 PolarHBondContact O-N 3.14Å; T77-E80 WeakPolarHBondContact OG1-CG 3.24Å; T77-E80 PolarHBondContact OG1-N 3.46Å; T77-E80 PolarHBondContact OG1-OE2 3.42Å; E80-I83 PolarHBondContact O-N 3.42Å; E80-A84 WeakPolarHBondContact O-CB 3.18Å; E80-A84 PolarHBondContact O-N 3.25Å; E80-K574 IonicContact OE1-NZ 2.62Å; E80-K574 PolarHBondContact OE1-NZ 2.81Å; E80-K574 IonicContact OE2-NZ 2.65Å; E80-K574 PolarHBondContact OE2-NZ 3.28Å
81V84.5Confident82.9Confident71 Ų7147.2 Ų47.243%0.4326%0.256SS..Hα-helixtrans-64.1-42.7176.3174.70000111.5E76 T77 D79 I83 A84 Q85E76-V81 HydrophobicContact CB-CG2 3.8Å; T77-V81 WeakPolarHBondContact O-CG2 3.49Å; T77-V81 PolarHBondContact O-N 3.22Å; D79-V81 PolarHBondContact O-N 3.35Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.04Å; V81-A84 PolarHBondContact O-N 2.97Å; V81-Q85 WeakPolarHBondContact O-CB 3.45Å; V81-Q85 PolarHBondContact O-N 2.7Å
82N85.8Confident84Confident49 Ų4949.5 Ų49.526%0.26226%0.264SS..Hα-helixtrans-64.3-38.8176-80.2-58.7000111.9D78 D79 Q85 S86D78-N82 WeakPolarHBondContact O-CB 3.44Å; D78-N82 PolarHBondContact O-N 3.22Å; D78-N82 PolarHBondContact O-ND2 3.29Å; D79-N82 PolarHBondContact O-N 2.89Å; N82-Q85 PolarHBondContact O-N 3.33Å; N82-S86 PolarHBondContact O-N 2.96Å; N82-S86 VanDerWaalsContact O-N 3.11Å
83I86Confident85.4Confident18 Ų1845 Ų459%0.09224%0.242CC..Hα-helixtrans-67.8-44.9175.5-69.4160.8000110.8D79 E80 V81 Q85 S86 L228 N231 L232 T235D79-I83 WeakPolarHBondContact O-CB 3.28Å; D79-I83 WeakPolarHBondContact O-CD1 3.33Å; D79-I83 VanDerWaalsContact O-CG1 3.25Å; D79-I83 WeakPolarHBondContact O-CG1 3.33Å; D79-I83 PolarHBondContact O-N 3.09Å; E80-I83 PolarHBondContact O-N 3.42Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.04Å; I83-Q85 PolarHBondContact O-N 2.78Å; I83-S86 WeakPolarHBondContact O-CB 3.44Å; I83-S86 PolarHBondContact O-N 3.03Å; I83-S86 VanDerWaalsContact O-N 3.08Å; I83-S86 PolarHBondContact O-OG 2.88Å; I83-L228 HydrophobicContact CG1-CD1 3.99Å; I83-N231 HydrophobicContact CD1-CB 4.47Å; I83-L232 HydrophobicContact CD1-CD2 3.87Å; I83-L232 HydrophobicContact CD1-CG 4.26Å; I83-L232 HydrophobicContact CG1-CD2 3.99Å; I83-L232 HydrophobicContact CG1-CG 4.25Å; I83-L232 HydrophobicContact CG2-CD2 4.17Å; I83-T235 WeakPolarHBondContact CD1-OG1 3.39Å
84A84.9Confident86.8Confident13 Ų1345.4 Ų45.411%0.10723%0.234CC..Hα-helixtrans-62.3-29.6176.200000113.1F69 E80 V81F69-A84 HydrophobicContact CB-CB 3.95Å; F69-A84 HydrophobicContact CD1-CB 4.1Å; F69-A84 HydrophobicContact CG-CB 4.45Å; E80-A84 WeakPolarHBondContact O-CB 3.18Å; E80-A84 PolarHBondContact O-N 3.25Å; V81-A84 PolarHBondContact O-N 2.97Å
85Q88.7Confident88Confident63 Ų6342.9 Ų42.929%0.29422%0.22SC..Hα-helixtrans-79.5-24.9174.3-178.659.521.400113.1V81 N82 I83 F87 K88 E89V81-Q85 WeakPolarHBondContact O-CB 3.45Å; V81-Q85 PolarHBondContact O-N 2.7Å; N82-Q85 PolarHBondContact O-N 3.33Å; I83-Q85 PolarHBondContact O-N 2.78Å; Q85-F87 VanDerWaalsContact C-N 3.28Å; Q85-F87 PolarHBondContact O-N 2.86Å; Q85-F87 VanDerWaalsContact O-N 3.12Å; Q85-K88 PolarHBondContact O-N 2.9Å; Q85-E89 HydrophobicContact CG-CG 4.49Å; Q85-E89 PolarHBondContact NE2-OE1 3.43Å
86S93Very high89.1Confident6 Ų644.1 Ų44.14%0.04223%0.226CC..Hα-helixtrans-56.4-34-170.168.80000115.4N82 I83 K88 E89 F90 Y224N82-S86 PolarHBondContact O-N 2.96Å; N82-S86 VanDerWaalsContact O-N 3.11Å; I83-S86 WeakPolarHBondContact O-CB 3.44Å; I83-S86 PolarHBondContact O-N 3.03Å; I83-S86 VanDerWaalsContact O-N 3.08Å; I83-S86 PolarHBondContact O-OG 2.88Å; S86-K88 PolarHBondContact O-N 2.84Å; S86-E89 PolarHBondContact O-N 3.29Å; S86-F90 WeakPolarHBondContact O-CD2 3.36Å; S86-F90 WeakPolarHBondContact O-CG 3.42Å; S86-F90 PolarHBondContact O-N 3.36Å; S86-Y224 VanDerWaalsContact CA-OH 3.31Å; S86-Y224 WeakPolarHBondContact CA-OH 3.39Å; S86-Y224 WeakPolarHBondContact CB-OH 3.5Å
87F91.9Very high89.9Confident62 Ų6242 Ų4227%0.27222%0.218SC..Hα-helixtrans-58.6-32.4175.9-67.3-72.1000113.6L64 F67 Q85 F90 S91L64-F87 HydrophobicContact CB-CB 4.42Å; L64-F87 WeakPolarHBondContact CB-O 2.99Å; L64-F87 HydrophobicContact CD2-CD1 4.11Å; L64-F87 WeakPolarHBondContact O-CB 3.47Å; F67-F87 AromaticContact CD1-CD2 3.65Å; F67-F87 HydrophobicContact CD1-CD2 3.65Å; F67-F87 AromaticContact CD1-CE2 3.86Å; F67-F87 HydrophobicContact CD1-CE2 3.86Å; F67-F87 HydrophobicContact CD1-CG 4.09Å; F67-F87 HydrophobicContact CD1-CZ 4.47Å; F67-F87 AromaticContact CE1-CD2 3.92Å; F67-F87 HydrophobicContact CE1-CD2 3.92Å; F67-F87 AromaticContact CE1-CE2 3.65Å; F67-F87 HydrophobicContact CE1-CE2 3.65Å; F67-F87 HydrophobicContact CE1-CZ 4.23Å; Q85-F87 VanDerWaalsContact C-N 3.28Å; Q85-F87 PolarHBondContact O-N 2.86Å; Q85-F87 VanDerWaalsContact O-N 3.12Å; F87-F90 HydrophobicContact CD1-CD2 4.33Å; F87-S91 WeakPolarHBondContact O-CB 3.49Å; F87-S91 PolarHBondContact O-N 3.45Å
88K92.3Very high90.6Very high46 Ų4641.3 Ų41.320%0.221%0.214CC..Hα-helixtrans-80.1-26.3176.3-60.1141.8-177.3157.20112.3Q85 S86 Q92Q85-K88 PolarHBondContact O-N 2.9Å; S86-K88 PolarHBondContact O-N 2.84Å; K88-Q92 WeakPolarHBondContact O-CG 3.47Å; K88-Q92 PolarHBondContact O-N 3.21Å; K88-Q92 PolarHBondContact O-NE2 3.49Å
89E93.8Very high91.2Very high23 Ų2341.2 Ų41.211%0.10721%0.211CC..Hα-helixtrans-74.3-40.6172-52.8-46.9132.200110.5Q85 S86 S91 Q92 L93 Y224Q85-E89 HydrophobicContact CG-CG 4.49Å; Q85-E89 PolarHBondContact NE2-OE1 3.43Å; S86-E89 PolarHBondContact O-N 3.29Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.08Å; E89-Q92 VanDerWaalsContact CD-NE2 3.25Å; E89-Q92 PolarHBondContact O-N 2.85Å; E89-Q92 PolarHBondContact OE1-NE2 3.2Å; E89-Q92 PolarHBondContact OE2-NE2 3.24Å; E89-L93 PolarHBondContact O-N 2.82Å; E89-Y224 HydrophobicContact CB-CE1 4.02Å; E89-Y224 HydrophobicContact CG-CE2 4.2Å
90F95.2Very high91.7Very high66 Ų6641 Ų4129%0.28921%0.209SC..Hα-helixtrans-58.6-42.3168.2-59.5-37.1000111.9L64 S86 F87 L93 L94 F221 L228L64-F90 HydrophobicContact CD1-CB 4.15Å; S86-F90 WeakPolarHBondContact O-CD2 3.36Å; S86-F90 WeakPolarHBondContact O-CG 3.42Å; S86-F90 PolarHBondContact O-N 3.36Å; F87-F90 HydrophobicContact CD1-CD2 4.33Å; F90-L93 PolarHBondContact O-N 3.08Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 3.09Å; F90-F221 HydrophobicContact CD1-CE1 4.32Å; F90-F221 AromaticContact CD1-CZ 3.69Å; F90-F221 HydrophobicContact CD1-CZ 3.69Å; F90-F221 HydrophobicContact CE1-CE1 4.2Å; F90-F221 AromaticContact CE1-CZ 3.79Å; F90-F221 HydrophobicContact CE1-CZ 3.79Å; F90-L228 HydrophobicContact CE1-CD2 4.01Å; F90-L228 HydrophobicContact CE2-CD2 4.41Å; F90-L228 HydrophobicContact CZ-CD2 3.5Å
91S95.4Very high92.3Very high1 Ų140.6 Ų40.61%0.00721%0.206CC..Hα-helixtrans-61.9-42.7175-173.50000112.5S61 F87 E89 L94 N95S61-S91 WeakPolarHBondContact O-CB 3.33Å; S61-S91 PolarHBondContact O-OG 3.49Å; S61-S91 VanDerWaalsContact OG-CA 3.31Å; S61-S91 WeakPolarHBondContact OG-CA 3.31Å; S61-S91 PolarHBondContact OG-O 3.41Å; S61-S91 PolarHBondContact OG-OG 3.37Å; F87-S91 WeakPolarHBondContact O-CB 3.49Å; F87-S91 PolarHBondContact O-N 3.45Å; E89-S91 VanDerWaalsContact C-N 3.32Å; E89-S91 PolarHBondContact O-N 3.08Å; S91-L94 PolarHBondContact O-N 3.27Å; S91-N95 WeakPolarHBondContact O-CB 3.42Å; S91-N95 PolarHBondContact O-N 3.31Å; S91-N95 PolarHBondContact O-ND2 2.96Å; S91-N95 PolarHBondContact OG-ND2 2.89Å
92Q94.8Very high92.7Very high72 Ų7241.5 Ų41.534%0.33620%0.202SC..Hα-helixtrans-63.6-42176.5-76.8169.1101.800111.9K88 E89 T96K88-Q92 WeakPolarHBondContact O-CG 3.47Å; K88-Q92 PolarHBondContact O-N 3.21Å; K88-Q92 PolarHBondContact O-NE2 3.49Å; E89-Q92 VanDerWaalsContact CD-NE2 3.25Å; E89-Q92 PolarHBondContact O-N 2.85Å; E89-Q92 PolarHBondContact OE1-NE2 3.2Å; E89-Q92 PolarHBondContact OE2-NE2 3.24Å; Q92-T96 PolarHBondContact O-N 3.16Å; Q92-T96 VanDerWaalsContact O-N 3.07Å; Q92-T96 PolarHBondContact O-OG1 2.9Å
93L95.6Very high92.9Very high43 Ų4344.4 Ų44.423%0.22521%0.209CC..Hα-helixtrans-61-51175-178.666.4000111.7E89 F90 N95 T96 V97 L217 F221E89-L93 PolarHBondContact O-N 2.82Å; F90-L93 PolarHBondContact O-N 3.08Å; L93-N95 PolarHBondContact O-N 3.29Å; L93-T96 WeakPolarHBondContact O-CB 3.38Å; L93-T96 PolarHBondContact O-N 3.43Å; L93-T96 VanDerWaalsContact O-N 3.09Å; L93-V97 PolarHBondContact O-N 2.95Å; L93-L217 HydrophobicContact CD1-CB 4.34Å; L93-F221 HydrophobicContact CB-CD2 4.43Å; L93-F221 HydrophobicContact CB-CE2 4.45Å; L93-F221 HydrophobicContact CD1-CB 4.26Å; L93-F221 HydrophobicContact CD1-CD2 4.35Å; L93-F221 HydrophobicContact CD1-CG 4.4Å; L93-F221 HydrophobicContact CD2-CB 4.25Å; L93-F221 HydrophobicContact CD2-CD1 3.83Å; L93-F221 HydrophobicContact CD2-CD2 3.89Å; L93-F221 HydrophobicContact CD2-CE1 4.09Å; L93-F221 HydrophobicContact CD2-CE2 4.15Å; L93-F221 HydrophobicContact CD2-CG 3.72Å; L93-F221 HydrophobicContact CD2-CZ 4.24Å; L93-F221 HydrophobicContact CG-CD2 4.45Å
94L96.2Very high93.2Very high49 Ų4944.2 Ų44.226%0.25721%0.208SC..Hα-helixtrans-59-47.3179.1-72.6174.5000111.9V57 F60 L64 F90 S91 T96 V97 E98V57-L94 HydrophobicContact CG1-CB 4.24Å; V57-L94 HydrophobicContact CG1-CD2 4.07Å; F60-L94 HydrophobicContact CD1-CD1 3.87Å; F60-L94 HydrophobicContact CE1-CD1 4.07Å; L64-L94 HydrophobicContact CD1-CD1 3.9Å; F90-L94 WeakPolarHBondContact O-CG 3.47Å; F90-L94 PolarHBondContact O-N 3.09Å; S91-L94 PolarHBondContact O-N 3.27Å; L94-T96 PolarHBondContact O-N 2.94Å; L94-V97 PolarHBondContact O-N 2.81Å; L94-E98 WeakPolarHBondContact O-CG 3.4Å; L94-E98 PolarHBondContact O-N 3.09Å
95N95.4Very high93.6Very high70 Ų7044.3 Ų44.337%0.37421%0.207SC..Hα-helixtrans-59.8-32.9176.3-76.9-58.1000112.7S61 S91 L93 E99S61-N95 PolarHBondContact OG-ND2 2.93Å; S91-N95 WeakPolarHBondContact O-CB 3.42Å; S91-N95 PolarHBondContact O-N 3.31Å; S91-N95 PolarHBondContact O-ND2 2.96Å; S91-N95 PolarHBondContact OG-ND2 2.89Å; L93-N95 PolarHBondContact O-N 3.29Å; N95-E99 PolarHBondContact O-N 3.02Å
96T94.9Very high93.5Very high49 Ų4947.9 Ų47.930%0.30122%0.224SC..Hα-helixtrans-72.6-39177-49.70000111.7Q92 L93 L94 E98 E99 L217Q92-T96 PolarHBondContact O-N 3.16Å; Q92-T96 VanDerWaalsContact O-N 3.07Å; Q92-T96 PolarHBondContact O-OG1 2.9Å; L93-T96 WeakPolarHBondContact O-CB 3.38Å; L93-T96 PolarHBondContact O-N 3.43Å; L93-T96 VanDerWaalsContact O-N 3.09Å; L94-T96 PolarHBondContact O-N 2.94Å; T96-E98 VanDerWaalsContact C-N 3.34Å; T96-E98 PolarHBondContact O-N 2.8Å; T96-E99 WeakPolarHBondContact O-CB 3.47Å; T96-E99 PolarHBondContact O-N 3.15Å; T96-L217 HydrophobicContact CG2-CD1 3.87Å; T96-L217 HydrophobicContact CG2-CD2 3.6Å; T96-L217 HydrophobicContact CG2-CG 4.42Å
97V95.4Very high93.3Very high33 Ų3352 Ų5220%0.225%0.245CC..Hα-helixtrans-67.1-35173176.40000111.9L93 L94 E99 E100 R101 F210 L217L93-V97 PolarHBondContact O-N 2.95Å; L94-V97 PolarHBondContact O-N 2.81Å; V97-E99 VanDerWaalsContact C-N 3.35Å; V97-E100 PolarHBondContact O-N 3.34Å; V97-R101 PolarHBondContact O-N 2.91Å; V97-F210 HydrophobicContact CG1-CE2 4.3Å; V97-F210 HydrophobicContact CG1-CZ 4.44Å; V97-L217 HydrophobicContact CG2-CD1 3.95Å
98E95Very high93.3Very high2 Ų249.1 Ų49.11%0.00923%0.233CC..Hα-helixtrans-70.2-28.8175-69.4-51.4139.400113.7S54 V57 Q58 L94 T96 E100 R101 R102S54-E98 WeakPolarHBondContact CA-OE2 3.39Å; S54-E98 WeakPolarHBondContact CB-OE2 3.09Å; S54-E98 PolarHBondContact OG-OE2 3.45Å; V57-E98 HydrophobicContact CB-CG 3.92Å; V57-E98 WeakPolarHBondContact CB-OE1 3.38Å; V57-E98 HydrophobicContact CG1-CG 3.61Å; V57-E98 VanDerWaalsContact CG1-OE1 3.24Å; V57-E98 WeakPolarHBondContact CG1-OE1 3.38Å; V57-E98 WeakPolarHBondContact CG2-OE1 3.4Å; Q58-E98 HydrophobicContact CG-CB 4.3Å; Q58-E98 HydrophobicContact CG-CG 4.22Å; L94-E98 WeakPolarHBondContact O-CG 3.4Å; L94-E98 PolarHBondContact O-N 3.09Å; T96-E98 VanDerWaalsContact C-N 3.34Å; T96-E98 PolarHBondContact O-N 2.8Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E98-R101 PolarHBondContact O-N 2.97Å; E98-R101 IonicContact OE1-CZ 3.07Å; E98-R101 IonicContact OE1-NH1 2.75Å; E98-R101 PolarHBondContact OE1-NH1 3Å; E98-R101 IonicContact OE1-NH2 3.08Å; E98-R101 PolarHBondContact OE1-NH2 2.99Å; E98-R101 IonicContact OE2-CZ 2.81Å; E98-R101 IonicContact OE2-NH1 3.6Å; E98-R101 PolarHBondContact OE2-NH1 2.83Å; E98-R101 IonicContact OE2-NH2 3.88Å; E98-R102 WeakPolarHBondContact O-CB 3.45Å; E98-R102 PolarHBondContact O-N 3.28Å
99E92.6Very high93.3Very high66 Ų6650 Ų5031%0.30824%0.239SC..Hα-helixtrans-59.9-44.9172.5-177.356.9-129.100111.2N95 T96 V97 R102 R103N95-E99 PolarHBondContact O-N 3.02Å; T96-E99 WeakPolarHBondContact O-CB 3.47Å; T96-E99 PolarHBondContact O-N 3.15Å; V97-E99 VanDerWaalsContact C-N 3.35Å; E99-R102 PolarHBondContact O-N 3.26Å; E99-R102 IonicContact OE1-NH1 2.77Å; E99-R102 PolarHBondContact OE1-NH1 2.87Å; E99-R102 IonicContact OE2-CZ 3.07Å; E99-R102 IonicContact OE2-NH1 3.91Å; E99-R102 PolarHBondContact OE2-NH1 3.28Å; E99-R102 IonicContact OE2-NH2 2.66Å; E99-R102 PolarHBondContact OE2-NH2 2.86Å; E99-R103 PolarHBondContact O-N 2.94Å; E99-R103 IonicContact OE1-NH1 2.66Å; E99-R103 PolarHBondContact OE1-NH1 3.33Å; E99-R103 VanDerWaalsContact OE1-NH1 3.09Å
100E92.9Very high93.2Very high27 Ų2754.2 Ų54.213%0.12626%0.263CS..Hα-helixtrans-66.1-43.8176-53-46.6130.300112.5V97 E98 R102 R103 L104 F210 E213 L217V97-E100 PolarHBondContact O-N 3.34Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E100-R102 VanDerWaalsContact C-N 3.27Å; E100-R102 PolarHBondContact O-N 2.92Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 IonicContact OE1-CZ 2.67Å; E100-R103 IonicContact OE1-NH1 3.67Å; E100-R103 IonicContact OE1-NH2 2.66Å; E100-R103 PolarHBondContact OE1-NH2 3.32Å; E100-R103 IonicContact OE2-CZ 2.67Å; E100-R103 VanDerWaalsContact OE2-CZ 3.27Å; E100-R103 IonicContact OE2-NE 3.34Å; E100-R103 PolarHBondContact OE2-NE 3.23Å; E100-R103 IonicContact OE2-NH2 3.51Å; E100-R103 PolarHBondContact OE2-NH2 2.89Å; E100-L104 PolarHBondContact O-N 3.32Å; E100-F210 HydrophobicContact CB-CD2 3.79Å; E100-F210 HydrophobicContact CB-CE2 4.22Å; E100-E213 HydrophobicContact CG-CB 4.12Å; E100-E213 HydrophobicContact CG-CG 3.72Å; E100-L217 HydrophobicContact CG-CD1 4.37Å
101R94.1Very high93.1Very high23 Ų2353.4 Ų53.49%0.08726%0.263CS..Hα-helixtrans-64.4-35.1177.6-156.9-173.9-58.1124.118.1111.5V97 E98 R103 L104 I105 F210V97-R101 PolarHBondContact O-N 2.91Å; E98-R101 PolarHBondContact O-N 2.97Å; E98-R101 IonicContact OE1-CZ 3.07Å; E98-R101 IonicContact OE1-NH1 2.75Å; E98-R101 PolarHBondContact OE1-NH1 3Å; E98-R101 IonicContact OE1-NH2 3.08Å; E98-R101 PolarHBondContact OE1-NH2 2.99Å; E98-R101 IonicContact OE2-CZ 2.81Å; E98-R101 IonicContact OE2-NH1 3.6Å; E98-R101 PolarHBondContact OE2-NH1 2.83Å; E98-R101 IonicContact OE2-NH2 3.88Å; R101-R103 VanDerWaalsContact C-N 3.35Å; R101-R103 PolarHBondContact O-N 2.92Å; R101-L104 WeakPolarHBondContact O-CB 3.27Å; R101-L104 PolarHBondContact O-N 3.5Å; R101-I105 HydrophobicContact CG-CD1 4Å; R101-I105 HydrophobicContact CG-CG1 4.42Å; R101-I105 WeakPolarHBondContact O-CB 3.43Å; R101-I105 WeakPolarHBondContact O-CD1 3.4Å; R101-I105 WeakPolarHBondContact O-CG1 3.18Å; R101-I105 PolarHBondContact O-N 2.86Å; R101-F210 HydrophobicContact CB-CD2 4.1Å; R101-F210 HydrophobicContact CB-CE2 3.6Å; R101-F210 HydrophobicContact CB-CZ 4.11Å; R101-F210 HydrophobicContact CG-CD2 4.49Å; R101-F210 HydrophobicContact CG-CE2 4.08Å; R101-F210 HydrophobicContact CG-CZ 4.18Å
102R92.6Very high93.1Very high91 Ų9153.8 Ų53.834%0.34327%0.265SS..Hα-helixtrans-65-38.7178-151.8-171.7-35.998.72.5111.8E98 E99 E100 I105 Q106E98-R102 WeakPolarHBondContact O-CB 3.45Å; E98-R102 PolarHBondContact O-N 3.28Å; E99-R102 PolarHBondContact O-N 3.26Å; E99-R102 IonicContact OE1-NH1 2.77Å; E99-R102 PolarHBondContact OE1-NH1 2.87Å; E99-R102 IonicContact OE2-CZ 3.07Å; E99-R102 IonicContact OE2-NH1 3.91Å; E99-R102 PolarHBondContact OE2-NH1 3.28Å; E99-R102 IonicContact OE2-NH2 2.66Å; E99-R102 PolarHBondContact OE2-NH2 2.86Å; E100-R102 VanDerWaalsContact C-N 3.27Å; E100-R102 PolarHBondContact O-N 2.92Å; R102-I105 PolarHBondContact O-N 3.25Å; R102-Q106 VanDerWaalsContact O-CB 3.3Å; R102-Q106 WeakPolarHBondContact O-CB 3.28Å; R102-Q106 PolarHBondContact O-N 2.8Å
103R90.1Very high93.1Very high110 Ų11050.7 Ų50.742%0.41525%0.251SS..Hα-helixtrans-62.4-44.8173.4-71.2-163.7-78.5-10020.5112.2E99 E100 R101 Q106 N107E99-R103 PolarHBondContact O-N 2.94Å; E99-R103 IonicContact OE1-NH1 2.66Å; E99-R103 PolarHBondContact OE1-NH1 3.33Å; E99-R103 VanDerWaalsContact OE1-NH1 3.09Å; E100-R103 PolarHBondContact O-N 3.27Å; E100-R103 IonicContact OE1-CZ 2.67Å; E100-R103 IonicContact OE1-NH1 3.67Å; E100-R103 IonicContact OE1-NH2 2.66Å; E100-R103 PolarHBondContact OE1-NH2 3.32Å; E100-R103 IonicContact OE2-CZ 2.67Å; E100-R103 VanDerWaalsContact OE2-CZ 3.27Å; E100-R103 IonicContact OE2-NE 3.34Å; E100-R103 PolarHBondContact OE2-NE 3.23Å; E100-R103 IonicContact OE2-NH2 3.51Å; E100-R103 PolarHBondContact OE2-NH2 2.89Å; R101-R103 VanDerWaalsContact C-N 3.35Å; R101-R103 PolarHBondContact O-N 2.92Å; R103-Q106 PolarHBondContact O-N 2.79Å; R103-N107 WeakPolarHBondContact O-CB 3.24Å; R103-N107 VanDerWaalsContact O-CG 3.24Å; R103-N107 PolarHBondContact O-N 2.84Å; R103-N107 PolarHBondContact O-OD1 2.92Å
104L92.6Very high93.1Very high14 Ų1451.9 Ų51.97%0.07326%0.26CS..Hα-helixtrans-57.8-48.8172.6171.562.2000111.9E100 R101 Q106 A108 F203 L207 F210E100-L104 PolarHBondContact O-N 3.32Å; R101-L104 WeakPolarHBondContact O-CB 3.27Å; R101-L104 PolarHBondContact O-N 3.5Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.36Å; L104-A108 WeakPolarHBondContact O-CB 3.25Å; L104-A108 PolarHBondContact O-N 2.95Å; L104-A108 VanDerWaalsContact O-N 3.09Å; L104-F203 HydrophobicContact CD1-CE2 4.25Å; L104-L207 HydrophobicContact CD1-CG 4.43Å; L104-L207 HydrophobicContact CD2-CD2 3.74Å; L104-L207 HydrophobicContact CD2-CG 4.27Å; L104-F210 HydrophobicContact CD2-CB 4.01Å; L104-F210 HydrophobicContact CD2-CD1 4.33Å; L104-F210 HydrophobicContact CD2-CG 4.19Å
105I92.4Very high93.1Very high14 Ų1451.3 Ų51.37%0.07226%0.259CS..Hα-helixtrans-61.4-41.1179.9-72.4163.8000112L50 K51 R101 R102L50-I105 HydrophobicContact CB-CD1 3.85Å; L50-I105 HydrophobicContact CB-CG1 3.72Å; L50-I105 WeakPolarHBondContact O-CD1 3.42Å; K51-I105 HydrophobicContact CD-CG2 4.14Å; K51-I105 VanDerWaalsContact CE-CG2 3.48Å; K51-I105 HydrophobicContact CG-CG2 3.52Å; R101-I105 HydrophobicContact CG-CD1 4Å; R101-I105 HydrophobicContact CG-CG1 4.42Å; R101-I105 WeakPolarHBondContact O-CB 3.43Å; R101-I105 WeakPolarHBondContact O-CD1 3.4Å; R101-I105 WeakPolarHBondContact O-CG1 3.18Å; R101-I105 PolarHBondContact O-N 2.86Å; R102-I105 PolarHBondContact O-N 3.25Å
106Q88Confident93.1Very high139 Ų13948 Ų4865%0.6524%0.242SC*.Hα-helixtrans-71.4-42.8-177.2-173.8165.1-7.100111.3R102 R103 L104 A108R102-Q106 VanDerWaalsContact O-CB 3.3Å; R102-Q106 WeakPolarHBondContact O-CB 3.28Å; R102-Q106 PolarHBondContact O-N 2.8Å; R103-Q106 PolarHBondContact O-N 2.79Å; L104-Q106 VanDerWaalsContact C-N 3.34Å; L104-Q106 PolarHBondContact O-N 3.36Å; Q106-A108 VanDerWaalsContact C-N 3.3Å; Q106-A108 PolarHBondContact O-N 2.9Å
107N89.1Confident93.2Very high91 Ų9148.5 Ų48.549%0.48724%0.241SC..Hα-helixtrans-72.6-21.5178.4-63.8-0.6000113.1R103 D109 D110 V111R103-N107 WeakPolarHBondContact O-CB 3.24Å; R103-N107 VanDerWaalsContact O-CG 3.24Å; R103-N107 PolarHBondContact O-N 2.84Å; R103-N107 PolarHBondContact O-OD1 2.92Å; N107-D109 VanDerWaalsContact C-N 3.26Å; N107-D109 PolarHBondContact O-N 3.43Å; N107-D110 PolarHBondContact O-N 2.98Å; N107-V111 HydrophobicContact CB-CG2 4.35Å; N107-V111 VanDerWaalsContact O-CB 3.23Å; N107-V111 WeakPolarHBondContact O-CB 3.31Å; N107-V111 WeakPolarHBondContact O-CG2 3.36Å; N107-V111 PolarHBondContact O-N 2.62Å
108A91.4Very high93.2Very high2 Ų252.1 Ų52.12%0.01725%0.253CS..Hα-helixtrans-62.7-28.2-173.900000114.2I47 L104 Q106 L112 I113 F203I47-A108 HydrophobicContact CD1-CB 3.71Å; I47-A108 HydrophobicContact CG1-CB 3.84Å; L104-A108 WeakPolarHBondContact O-CB 3.25Å; L104-A108 PolarHBondContact O-N 2.95Å; L104-A108 VanDerWaalsContact O-N 3.09Å; Q106-A108 VanDerWaalsContact C-N 3.3Å; Q106-A108 PolarHBondContact O-N 2.9Å; A108-L112 VanDerWaalsContact O-CB 3.32Å; A108-L112 WeakPolarHBondContact O-CB 3.27Å; A108-L112 PolarHBondContact O-N 2.93Å; A108-I113 PolarHBondContact O-N 3.02Å; A108-F203 HydrophobicContact CB-CD2 4.1Å; A108-F203 HydrophobicContact CB-CE2 3.81Å
109D90.9Very high93.3Very high64 Ų6452 Ų5234%0.34225%0.253SS..Iπ-helixtrans-73.2-48.7178.5-155.877.9000111.5N107 V111 I113 T114N107-D109 VanDerWaalsContact C-N 3.26Å; N107-D109 PolarHBondContact O-N 3.43Å; D109-V111 PolarHBondContact O-N 2.88Å; D109-I113 PolarHBondContact O-N 2.85Å; D109-I113 VanDerWaalsContact O-N 3.13Å; D109-T114 WeakPolarHBondContact O-CB 3.48Å; D109-T114 PolarHBondContact O-N 3.11Å
110D92.1Very high93.4Very high113 Ų11352.1 Ų52.160%0.60425%0.25SS*.Iπ-helixtrans-65.4-35.2176.7-65-45.4000112.9N107 P115N107-D110 PolarHBondContact O-N 2.98Å; D110-P115 VanDerWaalsContact O-CD 3.23Å; D110-P115 WeakPolarHBondContact O-CD 3.4Å; D110-P115 WeakPolarHBondContact O-CG 3.26Å
111V93.9Very high93.5Very high48 Ų4856.8 Ų56.829%0.29127%0.271SS..Iπ-helixtrans-90.2-30.8-172.7174.80000113.2N107 D109 P199 A202N107-V111 HydrophobicContact CB-CG2 4.35Å; N107-V111 VanDerWaalsContact O-CB 3.23Å; N107-V111 WeakPolarHBondContact O-CB 3.31Å; N107-V111 WeakPolarHBondContact O-CG2 3.36Å; N107-V111 PolarHBondContact O-N 2.62Å; D109-V111 PolarHBondContact O-N 2.88Å; V111-P199 WeakPolarHBondContact O-CA 3.4Å; V111-P199 WeakPolarHBondContact O-CB 3.47Å; V111-A202 HydrophobicContact CG1-CB 3.38Å
112L94.6Very high93.5Very high9 Ų960.4 Ų60.45%0.04729%0.288CS..Iπ-helixtrans-117.4-52.7-177-177.264.7000113.3A108 L116 P199 L200 F203A108-L112 VanDerWaalsContact O-CB 3.32Å; A108-L112 WeakPolarHBondContact O-CB 3.27Å; A108-L112 PolarHBondContact O-N 2.93Å; L112-L116 HydrophobicContact CD1-CD1 3.76Å; L112-L116 HydrophobicContact CG-CD1 4.23Å; L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 WeakPolarHBondContact O-CD1 3.38Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.43Å; L112-P199 HydrophobicContact CD1-CB 4.14Å; L112-L200 HydrophobicContact CD1-CD2 3.76Å; L112-L200 HydrophobicContact CD1-CG 4.23Å; L112-F203 HydrophobicContact CB-CB 4.27Å; L112-F203 HydrophobicContact CB-CD2 4.49Å; L112-F203 HydrophobicContact CB-CG 4.44Å; L112-F203 HydrophobicContact CD1-CB 4.46Å; L112-F203 HydrophobicContact CD2-CB 4.4Å; L112-F203 HydrophobicContact CD2-CD1 4.01Å; L112-F203 HydrophobicContact CD2-CD2 4.28Å; L112-F203 HydrophobicContact CD2-CE1 4.35Å; L112-F203 HydrophobicContact CD2-CG 3.97Å
113I95.5Very high93.7Very high8 Ų857.1 Ų57.14%0.04128%0.277CS..Iπ-helixtrans-73.1-53.9-169.5-57.6-54.1000111.1I40 I47 A108 D109 L116 E117I40-I113 HydrophobicContact CG2-CG2 4.27Å; I47-I113 HydrophobicContact CD1-CD1 4.02Å; I47-I113 HydrophobicContact CD1-CG1 3.65Å; A108-I113 PolarHBondContact O-N 3.02Å; D109-I113 PolarHBondContact O-N 2.85Å; D109-I113 VanDerWaalsContact O-N 3.13Å; I113-L116 PolarHBondContact O-N 3.14Å; I113-E117 HydrophobicContact CG2-CG 4.32Å; I113-E117 WeakPolarHBondContact O-CG 3.42Å; I113-E117 PolarHBondContact O-N 3.33Å
114T95.6Very high93.9Very high67 Ų6752 Ų5241%0.41126%0.258SS..Hα-helixtrans-60.6-44.4-177.1-76.20000113D109 E117 K118D109-T114 WeakPolarHBondContact O-CB 3.48Å; D109-T114 PolarHBondContact O-N 3.11Å; T114-E117 PolarHBondContact O-N 3.49Å; T114-K118 VanDerWaalsContact O-CB 3.28Å; T114-K118 WeakPolarHBondContact O-CB 3.45Å; T114-K118 PolarHBondContact O-N 3.17Å
115P96.5Very high94Very high38 Ų3852.3 Ų52.325%0.24726%0.264CS..Hα-helixtrans-63-41.4175.6-26.737.4000113.7D110 K118 F119 P199D110-P115 VanDerWaalsContact O-CD 3.23Å; D110-P115 WeakPolarHBondContact O-CD 3.4Å; D110-P115 WeakPolarHBondContact O-CG 3.26Å; P115-K118 WeakPolarHBondContact O-CB 3.49Å; P115-K118 PolarHBondContact O-N 3.44Å; P115-F119 PolarHBondContact O-N 3.17Å; P115-P199 HydrophobicContact CB-CB 4.12Å; P115-P199 HydrophobicContact CB-CG 3.6Å; P115-P199 HydrophobicContact CG-CG 4.39Å
116L95.8Very high94.2Very high1 Ų153.4 Ų53.41%0.00528%0.276CS..Hα-helixtrans-67.8-39.1177.2-69.8178.8000112.1I36 L39 I40 L112 I113 K118 R120 F196 P199I36-L116 HydrophobicContact CG2-CB 4.28Å; L39-L116 HydrophobicContact CD2-CD1 4.03Å; L39-L116 HydrophobicContact CG-CD1 4.27Å; I40-L116 HydrophobicContact CD1-CB 4.09Å; I40-L116 HydrophobicContact CG1-CB 3.8Å; I40-L116 HydrophobicContact CG1-CD1 4.47Å; L112-L116 HydrophobicContact CD1-CD1 3.76Å; L112-L116 HydrophobicContact CG-CD1 4.23Å; L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 WeakPolarHBondContact O-CD1 3.38Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.43Å; I113-L116 PolarHBondContact O-N 3.14Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-R120 WeakPolarHBondContact O-CB 3.5Å; L116-R120 PolarHBondContact O-N 2.97Å; L116-F196 HydrophobicContact CD2-CD2 3.38Å; L116-F196 HydrophobicContact CD2-CE2 3.57Å; L116-F196 HydrophobicContact CD2-CG 4.4Å; L116-P199 HydrophobicContact CG-CB 4.47Å
117E96Very high94.6Very high59 Ų5946.8 Ų46.828%0.27625%0.245SC..Hα-helixtrans-61.5-43.7170.2-72.5-125128.900111.4I40 I113 T114 R120 K121I40-E117 HydrophobicContact CD1-CG 4.03Å; I40-E117 HydrophobicContact CG2-CG 4.34Å; I113-E117 HydrophobicContact CG2-CG 4.32Å; I113-E117 WeakPolarHBondContact O-CG 3.42Å; I113-E117 PolarHBondContact O-N 3.33Å; T114-E117 PolarHBondContact O-N 3.49Å; E117-R120 PolarHBondContact O-N 3.49Å; E117-K121 WeakPolarHBondContact O-CB 3.5Å; E117-K121 VanDerWaalsContact O-CG 3.25Å; E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.16Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 2.65Å; E117-K121 PolarHBondContact OE2-NZ 3.29Å
118K95.8Very high94.9Very high108 Ų10845.2 Ų45.247%0.4723%0.234SC..Hα-helixtrans-61.5-52.5-179.4-170.3-178178.3-177.10111.4T114 P115 L116 R120 K121 E122T114-K118 VanDerWaalsContact O-CB 3.28Å; T114-K118 WeakPolarHBondContact O-CB 3.45Å; T114-K118 PolarHBondContact O-N 3.17Å; P115-K118 WeakPolarHBondContact O-CB 3.49Å; P115-K118 PolarHBondContact O-N 3.44Å; L116-K118 VanDerWaalsContact C-N 3.35Å; K118-R120 VanDerWaalsContact C-N 3.27Å; K118-R120 PolarHBondContact O-N 3.14Å; K118-K121 PolarHBondContact O-N 3.15Å; K118-E122 WeakPolarHBondContact CE-OE1 3.3Å; K118-E122 WeakPolarHBondContact CE-OE2 3.25Å; K118-E122 VanDerWaalsContact CG-CD 3.46Å; K118-E122 HydrophobicContact CG-CG 4.17Å; K118-E122 WeakPolarHBondContact CG-OE1 3.42Å; K118-E122 IonicContact NZ-OE2 2.79Å; K118-E122 WeakPolarHBondContact O-CB 3.42Å; K118-E122 PolarHBondContact O-N 2.92Å
119F95.9Very high95.2Very high1 Ų150 Ų500%0.00426%0.255CS..Iπ-helixtrans-55.2-44.1176.4-179.2-90.8000111.8I36 P115 Q123 I124 V188 K191 K192 E195I36-F119 HydrophobicContact CD1-CD1 3.61Å; I36-F119 HydrophobicContact CD1-CE1 3.83Å; P115-F119 PolarHBondContact O-N 3.17Å; F119-Q123 HydrophobicContact CD2-CB 4.02Å; F119-Q123 HydrophobicContact CD2-CG 3.69Å; F119-Q123 HydrophobicContact CE2-CB 3.96Å; F119-Q123 HydrophobicContact CE2-CG 3.93Å; F119-Q123 HydrophobicContact CG-CB 4.47Å; F119-Q123 HydrophobicContact CG-CG 4.36Å; F119-Q123 HydrophobicContact CZ-CB 4.37Å; F119-Q123 WeakPolarHBondContact O-CB 3.48Å; F119-Q123 PolarHBondContact O-N 3.47Å; F119-I124 HydrophobicContact CD1-CD1 4.24Å; F119-I124 HydrophobicContact CD1-CG1 4.27Å; F119-I124 HydrophobicContact CE1-CD1 3.9Å; F119-I124 HydrophobicContact CE1-CG1 3.86Å; F119-I124 PolarHBondContact O-N 3.05Å; F119-V188 HydrophobicContact CZ-CG1 3.99Å; F119-K191 HydrophobicContact CE2-CB 3.87Å; F119-K192 HydrophobicContact CZ-CB 3.89Å; F119-E195 HydrophobicContact CD2-CB 3.68Å; F119-E195 HydrophobicContact CD2-CG 4.4Å; F119-E195 WeakPolarHBondContact CD2-OE2 3.43Å; F119-E195 HydrophobicContact CE2-CB 4.19Å
120R95.3Very high95.5Very high67 Ų6747.4 Ų47.425%0.25324%0.242SC..Iπ-helixtrans-68.5-35.2179.7-179.4173.5164.9-96.1-17.1113.4N33 I36 L116 E117 K118 G125N33-R120 PolarHBondContact OD1-NE 2.91Å; I36-R120 HydrophobicContact CG2-CB 3.99Å; L116-R120 WeakPolarHBondContact O-CB 3.5Å; L116-R120 PolarHBondContact O-N 2.97Å; E117-R120 PolarHBondContact O-N 3.49Å; K118-R120 VanDerWaalsContact C-N 3.27Å; K118-R120 PolarHBondContact O-N 3.14Å; R120-G125 PolarHBondContact O-N 3.06Å
121K95.4Very high95.7Very high126 Ų12644.7 Ų44.755%0.54823%0.225SC..Iπ-helixtrans-80.7-47179-71.8168.8-174.7171.50112.1E117 K118 G125E117-K121 WeakPolarHBondContact O-CB 3.5Å; E117-K121 VanDerWaalsContact O-CG 3.25Å; E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.16Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 2.65Å; E117-K121 PolarHBondContact OE2-NZ 3.29Å; K118-K121 PolarHBondContact O-N 3.15Å; K121-G125 VanDerWaalsContact O-CA 3.3Å; K121-G125 WeakPolarHBondContact O-CA 3.3Å; K121-G125 PolarHBondContact O-N 3.44Å
122E94.8Very high95.9Very high99 Ų9947.8 Ų47.846%0.46324%0.235SC..Iπ-helixtrans-87-52-172.1-63.9179.8-168.500112.4K118 A126K118-E122 WeakPolarHBondContact CE-OE1 3.3Å; K118-E122 WeakPolarHBondContact CE-OE2 3.25Å; K118-E122 VanDerWaalsContact CG-CD 3.46Å; K118-E122 HydrophobicContact CG-CG 4.17Å; K118-E122 WeakPolarHBondContact CG-OE1 3.42Å; K118-E122 IonicContact NZ-OE2 2.79Å; K118-E122 WeakPolarHBondContact O-CB 3.42Å; K118-E122 PolarHBondContact O-N 2.92Å; E122-A126 WeakPolarHBondContact O-CB 3.21Å; E122-A126 PolarHBondContact O-N 3.32Å; E122-A126 VanDerWaalsContact O-N 3.16Å
123Q95.1Very high96Very high21 Ų2151.9 Ų51.910%0.09825%0.252CS..Iπ-helixtrans-78.5-55.7-174.3-51-54.4-11.900111.5F119 A127 V188 K191F119-Q123 HydrophobicContact CD2-CB 4.02Å; F119-Q123 HydrophobicContact CD2-CG 3.69Å; F119-Q123 HydrophobicContact CE2-CB 3.96Å; F119-Q123 HydrophobicContact CE2-CG 3.93Å; F119-Q123 HydrophobicContact CG-CB 4.47Å; F119-Q123 HydrophobicContact CG-CG 4.36Å; F119-Q123 HydrophobicContact CZ-CB 4.37Å; F119-Q123 WeakPolarHBondContact O-CB 3.48Å; F119-Q123 PolarHBondContact O-N 3.47Å; Q123-A127 PolarHBondContact O-N 3.21Å; Q123-V188 HydrophobicContact CB-CG2 4.12Å; Q123-V188 WeakPolarHBondContact O-CG2 3.18Å; Q123-K191 HydrophobicContact CG-CD 4.29Å
124I95.2Very high96.1Very high2 Ų251.5 Ų51.51%0.0125%0.25CS..Hα-helixtrans-67.6-40.9177.9-59.8-176000111L29 T32 N33 I36 F119 A127 K128 V188L29-I124 HydrophobicContact CD1-CB 4.38Å; L29-I124 HydrophobicContact CD1-CD1 4.42Å; L29-I124 HydrophobicContact CD1-CG1 3.96Å; L29-I124 HydrophobicContact CD1-CG2 4.03Å; L29-I124 HydrophobicContact CG-CG2 4.27Å; T32-I124 HydrophobicContact CG2-CD1 4.11Å; N33-I124 HydrophobicContact CB-CD1 4.25Å; N33-I124 HydrophobicContact CB-CG2 4.12Å; I36-I124 HydrophobicContact CD1-CD1 4.04Å; F119-I124 HydrophobicContact CD1-CD1 4.24Å; F119-I124 HydrophobicContact CD1-CG1 4.27Å; F119-I124 HydrophobicContact CE1-CD1 3.9Å; F119-I124 HydrophobicContact CE1-CG1 3.86Å; F119-I124 PolarHBondContact O-N 3.05Å; I124-A127 PolarHBondContact O-N 3.31Å; I124-K128 WeakPolarHBondContact O-CG 3.38Å; I124-K128 PolarHBondContact O-N 2.85Å; I124-V188 HydrophobicContact CG1-CG1 4.19Å
125G95.6Very high96.2Very high21 Ų2151 Ų5122%0.21625%0.245CC..Hα-helixtrans-61.2-48.3178.700000112.5R120 K121 A127 K128 E129R120-G125 PolarHBondContact O-N 3.06Å; K121-G125 VanDerWaalsContact O-CA 3.3Å; K121-G125 WeakPolarHBondContact O-CA 3.3Å; K121-G125 PolarHBondContact O-N 3.44Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.12Å; G125-K128 WeakPolarHBondContact O-CB 3.35Å; G125-K128 PolarHBondContact O-N 2.94Å; G125-K128 VanDerWaalsContact O-N 3.08Å; G125-E129 PolarHBondContact O-N 3.12Å; G125-E129 VanDerWaalsContact O-N 3.12Å
126A95.7Very high96.2Very high38 Ų3855.1 Ų55.131%0.31426%0.259SS..Hα-helixtrans-59.9-41.9176.400000112.3E122 K128 E129 V130E122-A126 WeakPolarHBondContact O-CB 3.21Å; E122-A126 PolarHBondContact O-N 3.32Å; E122-A126 VanDerWaalsContact O-N 3.16Å; A126-K128 PolarHBondContact O-N 2.84Å; A126-E129 PolarHBondContact O-N 3.1Å; A126-E129 VanDerWaalsContact O-N 3.13Å; A126-V130 WeakPolarHBondContact O-CG2 3.36Å; A126-V130 PolarHBondContact O-N 3.19Å
127A96.4Very high96.3Very high0 Ų055.9 Ų55.90%026%0.263CS..Hα-helixtrans-59.3-32.517600000113.2L29 Q123 I124 G125 K131 K184 V188L29-A127 HydrophobicContact CD2-CB 3.99Å; Q123-A127 PolarHBondContact O-N 3.21Å; I124-A127 PolarHBondContact O-N 3.31Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.12Å; A127-K131 PolarHBondContact O-N 3.33Å; A127-K184 HydrophobicContact CB-CG 3.96Å; A127-V188 HydrophobicContact CB-CG2 4.15Å
128K96.3Very high96.3Very high57 Ų5754 Ų5425%0.24826%0.255CS..Hα-helixtrans-74.4-35.4174.6-67.2-176-176.5-151.50113.3E30 N33 I124 G125 A126 K131 K132E30-K128 VanDerWaalsContact OE1-CE 3.3Å; E30-K128 WeakPolarHBondContact OE1-CE 3.5Å; E30-K128 IonicContact OE1-NZ 3.13Å; E30-K128 PolarHBondContact OE1-NZ 3.16Å; E30-K128 IonicContact OE2-NZ 3.89Å; E30-K128 PolarHBondContact OE2-NZ 3.23Å; N33-K128 PolarHBondContact ND2-NZ 2.82Å; N33-K128 VanDerWaalsContact ND2-NZ 3.15Å; I124-K128 WeakPolarHBondContact O-CG 3.38Å; I124-K128 PolarHBondContact O-N 2.85Å; G125-K128 WeakPolarHBondContact O-CB 3.35Å; G125-K128 PolarHBondContact O-N 2.94Å; G125-K128 VanDerWaalsContact O-N 3.08Å; A126-K128 PolarHBondContact O-N 2.84Å; K128-K131 WeakPolarHBondContact O-CB 3.49Å; K128-K131 PolarHBondContact O-N 3.39Å; K128-K132 WeakPolarHBondContact O-CG 3.31Å; K128-K132 PolarHBondContact O-N 3.43Å; K128-K132 VanDerWaalsContact O-N 3.11Å
129E96.8Very high96.4Very high102 Ų10255.9 Ų55.948%0.47727%0.265SS..Hα-helixtrans-69.9-37.7174.1-59-48.6131.800111.4G125 A126 K132 K133G125-E129 PolarHBondContact O-N 3.12Å; G125-E129 VanDerWaalsContact O-N 3.12Å; A126-E129 PolarHBondContact O-N 3.1Å; A126-E129 VanDerWaalsContact O-N 3.13Å; E129-K132 PolarHBondContact O-N 3.37Å; E129-K132 WeakPolarHBondContact OE1-CE 3.24Å; E129-K132 IonicContact OE1-NZ 2.64Å; E129-K132 PolarHBondContact OE1-NZ 2.9Å; E129-K132 WeakPolarHBondContact OE2-CD 3.37Å; E129-K132 WeakPolarHBondContact OE2-CE 3.48Å; E129-K132 IonicContact OE2-NZ 3.26Å; E129-K132 PolarHBondContact OE2-NZ 3.22Å; E129-K133 PolarHBondContact O-N 2.81Å
130V97.1Very high96.4Very high11 Ų1159.1 Ų59.17%0.06728%0.28CS..Hα-helixtrans-64.2-40.4171.4-177.30000111.1A126 K132 K133 F134 E180 Y181 K184A126-V130 WeakPolarHBondContact O-CG2 3.36Å; A126-V130 PolarHBondContact O-N 3.19Å; V130-K132 VanDerWaalsContact C-N 3.35Å; V130-K132 PolarHBondContact O-N 3.07Å; V130-K133 WeakPolarHBondContact O-CB 3.18Å; V130-K133 PolarHBondContact O-N 3.18Å; V130-K133 VanDerWaalsContact O-N 3.16Å; V130-F134 PolarHBondContact O-N 3.33Å; V130-E180 HydrophobicContact CG1-CB 4.24Å; V130-E180 HydrophobicContact CG1-CG 3.88Å; V130-E180 HydrophobicContact CG2-CG 4.47Å; V130-E180 WeakPolarHBondContact CG2-OE1 3.44Å; V130-Y181 HydrophobicContact CB-CD2 4.25Å; V130-Y181 HydrophobicContact CG1-CD2 3.9Å; V130-Y181 HydrophobicContact CG1-CG 4.27Å; V130-K184 HydrophobicContact CG2-CG 4.38Å
131K97Very high96.5Very high55 Ų5557 Ų5724%0.23927%0.272CS..Hα-helixtrans-53.8-49.1171-176.9179.8163.7970111.7E26 A127 K128 K133 F134 D135 Y181E26-K131 IonicContact OE1-NZ 2.78Å; E26-K131 PolarHBondContact OE1-NZ 3.26Å; E26-K131 IonicContact OE2-NZ 2.8Å; E26-K131 PolarHBondContact OE2-NZ 2.81Å; A127-K131 PolarHBondContact O-N 3.33Å; K128-K131 WeakPolarHBondContact O-CB 3.49Å; K128-K131 PolarHBondContact O-N 3.39Å; K131-K133 VanDerWaalsContact C-N 3.28Å; K131-K133 PolarHBondContact O-N 3.03Å; K131-F134 WeakPolarHBondContact O-CB 3.44Å; K131-F134 PolarHBondContact O-N 2.99Å; K131-D135 WeakPolarHBondContact CE-OD2 3.49Å; K131-D135 IonicContact NZ-OD1 2.78Å; K131-D135 IonicContact NZ-OD2 3.21Å; K131-D135 PolarHBondContact O-N 3.17Å; K131-Y181 HydrophobicContact CB-CD2 4.37Å; K131-Y181 HydrophobicContact CB-CE1 4.29Å; K131-Y181 HydrophobicContact CB-CE2 3.58Å; K131-Y181 WeakPolarHBondContact CB-OH 3.33Å; K131-Y181 WeakPolarHBondContact CD-OH 3.49Å; K131-Y181 HydrophobicContact CG-CE1 4.15Å; K131-Y181 HydrophobicContact CG-CE2 4.29Å; K131-Y181 WeakPolarHBondContact CG-OH 3.46Å
132K97.6Very high96.6Very high114 Ų11455.9 Ų55.950%0.49627%0.265SS..Hα-helixtrans-60.3-35.8179.9-67177.7-154.1162.60112.9K128 E129 V130 K136K128-K132 WeakPolarHBondContact O-CG 3.31Å; K128-K132 PolarHBondContact O-N 3.43Å; K128-K132 VanDerWaalsContact O-N 3.11Å; E129-K132 PolarHBondContact O-N 3.37Å; E129-K132 WeakPolarHBondContact OE1-CE 3.24Å; E129-K132 IonicContact OE1-NZ 2.64Å; E129-K132 PolarHBondContact OE1-NZ 2.9Å; E129-K132 WeakPolarHBondContact OE2-CD 3.37Å; E129-K132 WeakPolarHBondContact OE2-CE 3.48Å; E129-K132 IonicContact OE2-NZ 3.26Å; E129-K132 PolarHBondContact OE2-NZ 3.22Å; V130-K132 VanDerWaalsContact C-N 3.35Å; V130-K132 PolarHBondContact O-N 3.07Å; K132-K136 VanDerWaalsContact O-CB 3.23Å; K132-K136 WeakPolarHBondContact O-CB 3.21Å; K132-K136 PolarHBondContact O-N 2.85Å
133K97.3Very high96.6Very high94 Ų9453.9 Ų53.941%0.40926%0.262SS..Hα-helixtrans-61.9-50.7171.3-59.6176.2-176.9175.20110.2E129 V130 K131 K136 E137 T177 E180E129-K133 PolarHBondContact O-N 2.81Å; V130-K133 WeakPolarHBondContact O-CB 3.18Å; V130-K133 PolarHBondContact O-N 3.18Å; V130-K133 VanDerWaalsContact O-N 3.16Å; K131-K133 VanDerWaalsContact C-N 3.28Å; K131-K133 PolarHBondContact O-N 3.03Å; K133-K136 PolarHBondContact O-N 2.9Å; K133-E137 PolarHBondContact O-N 2.79Å; K133-T177 HydrophobicContact CB-CG2 3.68Å; K133-E180 IonicContact NZ-OE1 2.67Å; K133-E180 PolarHBondContact NZ-OE1 2.93Å; K133-E180 IonicContact NZ-OE2 2.75Å; K133-E180 PolarHBondContact NZ-OE2 3.43Å
134F97.4Very high96.7Very high1 Ų153.7 Ų53.70%0.00426%0.262CS..Hα-helixtrans-61.4-45.1-176.7171.9-107.6000112.7R19 L22 V130 K131 T138 F174 T177 Y181R19-F134 VanDerWaalsContact CZ-CZ 3.46Å; R19-F134 VanDerWaalsContact NH1-CZ 3.31Å; L22-F134 HydrophobicContact CD2-CE1 3.68Å; L22-F134 HydrophobicContact CD2-CZ 3.99Å; V130-F134 PolarHBondContact O-N 3.33Å; K131-F134 WeakPolarHBondContact O-CB 3.44Å; K131-F134 PolarHBondContact O-N 2.99Å; F134-T138 VanDerWaalsContact O-CB 3.24Å; F134-T138 WeakPolarHBondContact O-CB 3.41Å; F134-T138 PolarHBondContact O-N 3.04Å; F134-T138 PolarHBondContact O-OG1 3.32Å; F134-F174 HydrophobicContact CD2-CE2 4.33Å; F134-F174 AromaticContact CE2-CE2 3.75Å; F134-F174 HydrophobicContact CE2-CE2 3.75Å; F134-F174 HydrophobicContact CE2-CZ 4.41Å; F134-F174 HydrophobicContact CZ-CE2 4.48Å; F134-T177 HydrophobicContact CB-CG2 4.05Å; F134-Y181 HydrophobicContact CB-CD1 3.96Å; F134-Y181 HydrophobicContact CB-CG 4.15Å; F134-Y181 AromaticContact CD1-CD1 3.38Å; F134-Y181 HydrophobicContact CD1-CD1 3.38Å; F134-Y181 AromaticContact CD1-CE1 3.72Å; F134-Y181 HydrophobicContact CD1-CE1 3.72Å; F134-Y181 HydrophobicContact CD1-CG 4.37Å; F134-Y181 HydrophobicContact CD2-CD1 4.34Å; F134-Y181 AromaticContact CE1-CD1 3.86Å; F134-Y181 HydrophobicContact CE1-CD1 3.86Å; F134-Y181 HydrophobicContact CE1-CE1 4.12Å; F134-Y181 AromaticContact CG-CD1 3.64Å; F134-Y181 HydrophobicContact CG-CD1 3.64Å; F134-Y181 HydrophobicContact CG-CE1 4.38Å; F134-Y181 HydrophobicContact CG-CG 4.24Å
135D97.1Very high96.7Very high57 Ų5755.6 Ų55.631%0.30527%0.272SS..Hα-helixtrans-59.4-47.4174-65.1-25.9000110.6K131 T138 E139K131-D135 WeakPolarHBondContact CE-OD2 3.49Å; K131-D135 IonicContact NZ-OD1 2.78Å; K131-D135 IonicContact NZ-OD2 3.21Å; K131-D135 PolarHBondContact O-N 3.17Å; D135-T138 WeakPolarHBondContact O-CB 3.33Å; D135-T138 PolarHBondContact O-N 2.88Å; D135-E139 PolarHBondContact O-N 3.47Å
136K97.7Very high96.8Very high124 Ų12461.1 Ų61.154%0.53929%0.292SS..Hα-helixtrans-64.5-46.1-179174.1175.1166.1-77.10113.4K132 K133 T138 E139 K140K132-K136 VanDerWaalsContact O-CB 3.23Å; K132-K136 WeakPolarHBondContact O-CB 3.21Å; K132-K136 PolarHBondContact O-N 2.85Å; K133-K136 PolarHBondContact O-N 2.9Å; K136-T138 VanDerWaalsContact C-N 3.33Å; K136-E139 PolarHBondContact O-N 3.38Å; K136-K140 VanDerWaalsContact O-CB 3.31Å; K136-K140 WeakPolarHBondContact O-CB 3.17Å; K136-K140 PolarHBondContact O-N 2.71Å; K136-K140 VanDerWaalsContact O-N 3.09Å
137E97.2Very high96.7Very high17 Ų1765.7 Ų65.78%0.07930%0.301CS..Hα-helixtrans-74.8-25.1177.6-55.4-50.112200111.5K133 K140 Y141 L173K133-E137 PolarHBondContact O-N 2.79Å; E137-K140 WeakPolarHBondContact OE2-CD 3.47Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.86Å; E137-K140 PolarHBondContact OE2-NZ 2.81Å; E137-Y141 WeakPolarHBondContact O-CB 3.28Å; E137-Y141 PolarHBondContact O-N 2.97Å; E137-L173 HydrophobicContact CG-CD2 4.49Å; E137-L173 HydrophobicContact CG-CG 4.28Å; E137-L173 WeakPolarHBondContact OE2-CD2 3.49Å
138T96.6Very high96.6Very high18 Ų1867.7 Ų67.711%0.1131%0.311CS..Hα-helixtrans-58.2-56.3166.2-63.90000110.5R19 F134 D135 K136 K140 Y141 Y142 F174R19-T138 VanDerWaalsContact NH2-CG2 3.35Å; R19-T138 PolarHBondContact NH2-OG1 2.72Å; F134-T138 VanDerWaalsContact O-CB 3.24Å; F134-T138 WeakPolarHBondContact O-CB 3.41Å; F134-T138 PolarHBondContact O-N 3.04Å; F134-T138 PolarHBondContact O-OG1 3.32Å; D135-T138 WeakPolarHBondContact O-CB 3.33Å; D135-T138 PolarHBondContact O-N 2.88Å; K136-T138 VanDerWaalsContact C-N 3.33Å; T138-K140 VanDerWaalsContact C-N 3.33Å; T138-K140 PolarHBondContact O-N 2.84Å; T138-Y141 PolarHBondContact O-N 3.4Å; T138-Y142 HydrophobicContact CG2-CD2 3.76Å; T138-Y142 HydrophobicContact CG2-CE2 3.9Å; T138-Y142 WeakPolarHBondContact O-CD2 3.3Å; T138-Y142 PolarHBondContact O-N 3.3Å; T138-F174 WeakPolarHBondContact OG1-CE2 3.38Å
139E97Very high96.6Very high148 Ų14871.2 Ų71.269%0.69233%0.331SS*.Hα-helixtrans-57.9-45-179.7-72.4-178164.300112D135 K136 S143D135-E139 PolarHBondContact O-N 3.47Å; K136-E139 PolarHBondContact O-N 3.38Å; E139-S143 WeakPolarHBondContact O-CB 3.46Å; E139-S143 PolarHBondContact O-N 2.75Å
140K96.6Very high96.5Very high70 Ų7070.8 Ų70.830%0.30434%0.34SS..Hα-helixtrans-66-40.5-179.2-175-158.5-177.3-155.50112.8K136 E137 T138 T144 E170K136-K140 VanDerWaalsContact O-CB 3.31Å; K136-K140 WeakPolarHBondContact O-CB 3.17Å; K136-K140 PolarHBondContact O-N 2.71Å; K136-K140 VanDerWaalsContact O-N 3.09Å; E137-K140 WeakPolarHBondContact OE2-CD 3.47Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.86Å; E137-K140 PolarHBondContact OE2-NZ 2.81Å; T138-K140 VanDerWaalsContact C-N 3.33Å; T138-K140 PolarHBondContact O-N 2.84Å; K140-T144 VanDerWaalsContact O-CB 3.29Å; K140-T144 WeakPolarHBondContact O-CB 3.41Å; K140-T144 PolarHBondContact O-N 3.16Å; K140-T144 VanDerWaalsContact O-N 3.12Å; K140-T144 PolarHBondContact O-OG1 3.18Å; K140-E170 WeakPolarHBondContact CD-OE2 3.48Å; K140-E170 VanDerWaalsContact CE-CD 3.5Å; K140-E170 WeakPolarHBondContact CE-OE1 3.26Å; K140-E170 WeakPolarHBondContact CE-OE2 3.48Å; K140-E170 IonicContact NZ-OE1 2.78Å; K140-E170 PolarHBondContact NZ-OE1 3.29Å; K140-E170 IonicContact NZ-OE2 3.3Å; K140-E170 PolarHBondContact NZ-OE2 3.04Å
141Y96.9Very high96.3Very high23 Ų2372.3 Ų72.39%0.0935%0.347CS..Hα-helixtrans-63.7-56.5175.3170.7-121.4000110.6E137 T138 S143 T144 L145 I167 E170 R171 F174E137-Y141 WeakPolarHBondContact O-CB 3.28Å; E137-Y141 PolarHBondContact O-N 2.97Å; T138-Y141 PolarHBondContact O-N 3.4Å; Y141-S143 PolarHBondContact O-N 3.03Å; Y141-T144 CarbonylContact O-C 3.44Å; Y141-T144 PolarHBondContact O-N 2.83Å; Y141-L145 WeakPolarHBondContact O-CB 3.48Å; Y141-L145 PolarHBondContact O-N 3.32Å; Y141-I167 HydrophobicContact CD2-CD1 3.81Å; Y141-I167 HydrophobicContact CE2-CD1 3.61Å; Y141-I167 HydrophobicContact CE2-CG1 4.24Å; Y141-E170 HydrophobicContact CD2-CB 4.41Å; Y141-R171 HydrophobicContact CD2-CB 4.14Å; Y141-R171 HydrophobicContact CE2-CB 3.56Å; Y141-R171 HydrophobicContact CE2-CG 3.94Å; Y141-F174 HydrophobicContact CD1-CB 4.31Å; Y141-F174 AromaticContact CD1-CD1 3.72Å; Y141-F174 HydrophobicContact CD1-CD1 3.72Å; Y141-F174 HydrophobicContact CD1-CE1 4.27Å; Y141-F174 AromaticContact CD1-CG 3.98Å; Y141-F174 HydrophobicContact CD1-CG 3.98Å; Y141-F174 HydrophobicContact CE1-CD1 4.07Å; Y141-F174 HydrophobicContact CE1-CE1 4.43Å; Y141-F174 HydrophobicContact CG-CB 4.08Å; Y141-F174 HydrophobicContact CG-CD1 4.33Å; Y141-F174 HydrophobicContact CG-CG 4.25Å
142Y96.6Very high96.1Very high102 Ų10272.8 Ų72.840%0.436%0.358SS..Hα-helixtrans-64.1-38.4-177.7-76.5-69.5000113D14 T138 T144 L145 E146D14-Y142 PolarHBondContact OD2-OH 2.97Å; T138-Y142 HydrophobicContact CG2-CD2 3.76Å; T138-Y142 HydrophobicContact CG2-CE2 3.9Å; T138-Y142 WeakPolarHBondContact O-CD2 3.3Å; T138-Y142 PolarHBondContact O-N 3.3Å; Y142-T144 VanDerWaalsContact C-N 3.27Å; Y142-T144 PolarHBondContact O-N 2.77Å; Y142-L145 HydrophobicContact CD1-CD2 4.19Å; Y142-L145 HydrophobicContact CE1-CD2 4.44Å; Y142-L145 PolarHBondContact O-N 3.02Å; Y142-E146 PolarHBondContact O-N 3.38Å
143S96.1Very high95.8Very high57 Ų5772.5 Ų72.540%0.39937%0.37SS..Hα-helixtrans-63.8-31.4173.2-178.30000112.8E139 Y141 R147E139-S143 WeakPolarHBondContact O-CB 3.46Å; E139-S143 PolarHBondContact O-N 2.75Å; Y141-S143 PolarHBondContact O-N 3.03Å; S143-R147 WeakPolarHBondContact O-CB 3.08Å; S143-R147 PolarHBondContact O-N 2.87Å; S143-R147 PolarHBondContact O-NH2 3.38Å; S143-R147 VanDerWaalsContact O-NH2 3.09Å; S143-R147 PolarHBondContact OG-NH2 3.08Å; S143-R147 VanDerWaalsContact OG-NH2 3.13Å
144T95.8Very high95.5Very high17 Ų1777.3 Ų77.310%0.10439%0.391CS..Hα-helixtrans-80.8-33.3176.4-58.20000111.8K140 Y141 Y142 R147 H148 I167 E170K140-T144 VanDerWaalsContact O-CB 3.29Å; K140-T144 WeakPolarHBondContact O-CB 3.41Å; K140-T144 PolarHBondContact O-N 3.16Å; K140-T144 VanDerWaalsContact O-N 3.12Å; K140-T144 PolarHBondContact O-OG1 3.18Å; Y141-T144 CarbonylContact O-C 3.44Å; Y141-T144 PolarHBondContact O-N 2.83Å; Y142-T144 VanDerWaalsContact C-N 3.27Å; Y142-T144 PolarHBondContact O-N 2.77Å; T144-R147 PolarHBondContact O-N 3.14Å; T144-R147 PolarHBondContact OG1-NH1 3.38Å; T144-H148 VanDerWaalsContact O-CB 3.24Å; T144-H148 WeakPolarHBondContact O-CB 3.4Å; T144-H148 PolarHBondContact O-N 3.48Å; T144-I167 HydrophobicContact CG2-CD1 4.08Å; T144-E170 HydrophobicContact CG2-CG 4.41Å
145L96.3Very high95.2Very high41 Ų4181.6 Ų81.622%0.21541%0.409CS..Hα-helixtrans-63-48.4172.2-175.961.1000111.3Y141 Y142 R147 H148 L149 I167Y141-L145 WeakPolarHBondContact O-CB 3.48Å; Y141-L145 PolarHBondContact O-N 3.32Å; Y142-L145 HydrophobicContact CD1-CD2 4.19Å; Y142-L145 HydrophobicContact CE1-CD2 4.44Å; Y142-L145 PolarHBondContact O-N 3.02Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 3.34Å; L145-H148 PolarHBondContact O-N 2.86Å; L145-L149 HydrophobicContact CD1-CD1 4.13Å; L145-L149 HydrophobicContact CD1-CG 4.22Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 WeakPolarHBondContact O-CB 3.31Å; L145-L149 VanDerWaalsContact O-CG 3.29Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 2.96Å; L145-I167 HydrophobicContact CB-CD1 3.96Å; L145-I167 HydrophobicContact CD1-CD1 4.26Å; L145-I167 HydrophobicContact CD1-CG1 4.07Å
146E96.6Very high95Very high137 Ų13787.3 Ų87.364%0.6443%0.432SS*.Hα-helixtrans-58.4-44.4176.3-177.4179.6-14800111.7Y142 H148 L149 S150Y142-E146 PolarHBondContact O-N 3.38Å; E146-H148 PolarHBondContact O-N 3.15Å; E146-L149 PolarHBondContact O-N 3.26Å; E146-S150 VanDerWaalsContact O-CB 3.31Å; E146-S150 WeakPolarHBondContact O-CB 3.38Å; E146-S150 PolarHBondContact O-N 3.47Å; E146-S150 PolarHBondContact O-OG 3.36Å
147R93.9Very high94.7Very high134 Ų13487.1 Ų87.151%0.50643%0.433SS..Hα-helixtrans-63.9-38.3176.6-167.2-172.2-47.3110.716.3112.7S143 T144 L145S143-R147 WeakPolarHBondContact O-CB 3.08Å; S143-R147 PolarHBondContact O-N 2.87Å; S143-R147 PolarHBondContact O-NH2 3.38Å; S143-R147 VanDerWaalsContact O-NH2 3.09Å; S143-R147 PolarHBondContact OG-NH2 3.08Å; S143-R147 VanDerWaalsContact OG-NH2 3.13Å; T144-R147 PolarHBondContact O-N 3.14Å; T144-R147 PolarHBondContact OG1-NH1 3.38Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 3.34Å
148H95.4Very high94.4Very high43 Ų4389.8 Ų89.820%0.19946%0.457CS..Hα-helixtrans-68.2-48.9176.3171.7100.9000111T144 L145 E146 S150 L151 A163 D164T144-H148 VanDerWaalsContact O-CB 3.24Å; T144-H148 WeakPolarHBondContact O-CB 3.4Å; T144-H148 PolarHBondContact O-N 3.48Å; L145-H148 PolarHBondContact O-N 2.86Å; E146-H148 PolarHBondContact O-N 3.15Å; H148-S150 PolarHBondContact O-N 3.44Å; H148-L151 VanDerWaalsContact O-CB 3.25Å; H148-L151 WeakPolarHBondContact O-CB 3.34Å; H148-L151 VanDerWaalsContact O-CG 3.27Å; H148-L151 WeakPolarHBondContact O-CG 3.41Å; H148-L151 PolarHBondContact O-N 2.98Å; H148-A163 PolarHBondContact ND1-O 3.35Å; H148-A163 VanDerWaalsContact ND1-O 3.16Å; H148-D164 IonicContact CE1-OD1 2.72Å; H148-D164 PolarHBondContact CE1-OD1 3.19Å; H148-D164 VanDerWaalsContact CE1-OD1 3.26Å; H148-D164 IonicContact NE2-OD1 3.86Å
149L95Very high94.2Very high130 Ų13093.5 Ų93.568%0.68147%0.47SS*.Hα-helixtrans-63.7-24.2176.6-67.3172.4000112.9L145 E146 L151L145-L149 HydrophobicContact CD1-CD1 4.13Å; L145-L149 HydrophobicContact CD1-CG 4.22Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 WeakPolarHBondContact O-CB 3.31Å; L145-L149 VanDerWaalsContact O-CG 3.29Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 2.96Å; E146-L149 PolarHBondContact O-N 3.26Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.93Å
150S94.5Very high94Very high94 Ų9488.3 Ų88.366%0.65745%0.447SS*.THydrogen-bonded Turntrans-79.40.3173.9-59.60000114.2E146 H148E146-S150 VanDerWaalsContact O-CB 3.31Å; E146-S150 WeakPolarHBondContact O-CB 3.38Å; E146-S150 PolarHBondContact O-N 3.47Å; E146-S150 PolarHBondContact O-OG 3.36Å; H148-S150 PolarHBondContact O-N 3.44Å
151L94.2Very high93.8Very high43 Ų4389.7 Ų89.723%0.22545%0.454CS..SBendtrans-74.2133.6178.2-66.6-179.1000111.8H148 L149 S153 Y159 L160 A163H148-L151 VanDerWaalsContact O-CB 3.25Å; H148-L151 WeakPolarHBondContact O-CB 3.34Å; H148-L151 VanDerWaalsContact O-CG 3.27Å; H148-L151 WeakPolarHBondContact O-CG 3.41Å; H148-L151 PolarHBondContact O-N 2.98Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.93Å; L151-S153 PolarHBondContact O-N 2.95Å; L151-Y159 HydrophobicContact CD1-CE1 4.17Å; L151-Y159 HydrophobicContact CD2-CE1 3.98Å; L151-L160 HydrophobicContact CB-CD2 4.42Å; L151-L160 HydrophobicContact CD1-CD2 4.46Å; L151-A163 HydrophobicContact CD1-CB 3.48Å; L151-A163 VanDerWaalsContact CD1-CB 3.48Å
152S92.6Very high93.6Very high65 Ų6594.9 Ų94.946%0.45548%0.479SS..  trans-70.8127.2173.1-174.10000111.1K154 K155S152-K154 PolarHBondContact O-N 3.17Å; S152-K154 PolarHBondContact OG-N 2.84Å; S152-K155 WeakPolarHBondContact O-CB 3.3Å; S152-K155 WeakPolarHBondContact O-CG 3.27Å; S152-K155 PolarHBondContact O-N 2.92Å
153S90.2Very high93.4Very high108 Ų10890.9 Ų90.976%0.75547%0.468SS*.THydrogen-bonded Turntrans-60.2-0.8170.854.60000115.1L151L151-S153 PolarHBondContact O-N 2.95Å
154K91.4Very high93.4Very high194 Ų19491.6 Ų91.684%0.84347%0.467SS*.THydrogen-bonded Turntrans-94.23.9171.6-58.2-177.7-178.4179.60113.6S152S152-K154 PolarHBondContact O-N 3.17Å; S152-K154 PolarHBondContact OG-N 2.84Å
155K91.6Very high93.3Very high91 Ų9195.5 Ų95.540%0.39649%0.491SS..SBendtrans-65.5165.9170.5-70-90.4-164.5150.30110.5S152 Y159 L160S152-K155 WeakPolarHBondContact O-CB 3.3Å; S152-K155 WeakPolarHBondContact O-CG 3.27Å; S152-K155 PolarHBondContact O-N 2.92Å; K155-Y159 HydrophobicContact CB-CD1 4.06Å; K155-Y159 HydrophobicContact CD-CD1 3.63Å; K155-Y159 HydrophobicContact CD-CE1 3.58Å; K155-Y159 HydrophobicContact CG-CD1 4.04Å; K155-Y159 HydrophobicContact CG-CE1 4.19Å; K155-Y159 PolarHBondContact NZ-OH 3.36Å; K155-Y159 VanDerWaalsContact NZ-OH 3.09Å; K155-L160 HydrophobicContact CB-CD2 3.93Å; K155-L160 HydrophobicContact CB-CG 4.15Å; K155-L160 HydrophobicContact CG-CD2 4.44Å
156K92.3Very high93.2Very high178 Ų17897.2 Ų97.277%0.77450%0.498SS*.  trans-68.9137.3171.1-67.6-175.8178.2-177.70110A158 Y159 L160K156-A158 VanDerWaalsContact C-N 3.35Å; K156-A158 PolarHBondContact O-N 3.29Å; K156-Y159 WeakPolarHBondContact O-CB 3.23Å; K156-Y159 PolarHBondContact O-N 2.93Å; K156-L160 PolarHBondContact O-N 3.21Å
157E91.8Very high93.2Very high120 Ų12091 Ų9156%0.56147%0.469SS*.Hα-helixtrans-45.1-51.9179.3-176.459.6-158.800113.7Y159 L160 Q161E157-Y159 PolarHBondContact O-N 3.22Å; E157-Y159 VanDerWaalsContact O-N 3.1Å; E157-L160 WeakPolarHBondContact O-CA 3.45Å; E157-L160 WeakPolarHBondContact O-CB 3.45Å; E157-L160 PolarHBondContact O-N 3.28Å; E157-Q161 PolarHBondContact O-N 3.38Å; E157-Q161 PolarHBondContact OE1-NE2 2.87Å
158A91.8Very high93.3Very high72 Ų7288.4 Ų88.460%0.59547%0.465SS*.Hα-helixtrans-59.3-26.6-179.500000114.4K156 E162K156-A158 VanDerWaalsContact C-N 3.35Å; K156-A158 PolarHBondContact O-N 3.29Å; A158-E162 WeakPolarHBondContact O-CB 3.24Å; A158-E162 PolarHBondContact O-N 3.07Å; A158-E162 VanDerWaalsContact O-N 3.1Å
159Y91.9Very high93.3Very high97 Ų9792.7 Ų92.738%0.3848%0.483SS..Hα-helixtrans-82.7-26.4175.7174.9-86.6000112.3L151 K155 K156 E157 A163L151-Y159 HydrophobicContact CD1-CE1 4.17Å; L151-Y159 HydrophobicContact CD2-CE1 3.98Å; K155-Y159 HydrophobicContact CB-CD1 4.06Å; K155-Y159 HydrophobicContact CD-CD1 3.63Å; K155-Y159 HydrophobicContact CD-CE1 3.58Å; K155-Y159 HydrophobicContact CG-CD1 4.04Å; K155-Y159 HydrophobicContact CG-CE1 4.19Å; K155-Y159 PolarHBondContact NZ-OH 3.36Å; K155-Y159 VanDerWaalsContact NZ-OH 3.09Å; K156-Y159 WeakPolarHBondContact O-CB 3.23Å; K156-Y159 PolarHBondContact O-N 2.93Å; E157-Y159 PolarHBondContact O-N 3.22Å; E157-Y159 VanDerWaalsContact O-N 3.1Å; Y159-A163 WeakPolarHBondContact O-CB 3.32Å; Y159-A163 PolarHBondContact O-N 2.97Å
160L91.6Very high93.3Very high38 Ų3887.4 Ų87.420%0.19946%0.455CS..Hα-helixtrans-69.1-49.1169.5-62.5175.5000109L151 K155 K156 E157 E162 A163 D164L151-L160 HydrophobicContact CB-CD2 4.42Å; L151-L160 HydrophobicContact CD1-CD2 4.46Å; K155-L160 HydrophobicContact CB-CD2 3.93Å; K155-L160 HydrophobicContact CB-CG 4.15Å; K155-L160 HydrophobicContact CG-CD2 4.44Å; K156-L160 PolarHBondContact O-N 3.21Å; E157-L160 WeakPolarHBondContact O-CA 3.45Å; E157-L160 WeakPolarHBondContact O-CB 3.45Å; E157-L160 PolarHBondContact O-N 3.28Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.5Å; L160-A163 CarbonylContact O-C 3.46Å; L160-A163 WeakPolarHBondContact O-CA 3.39Å; L160-A163 WeakPolarHBondContact O-CB 3.38Å; L160-A163 PolarHBondContact O-N 2.81Å; L160-D164 VanDerWaalsContact C-OD2 3.31Å; L160-D164 PolarHBondContact O-N 3.3Å; L160-D164 VanDerWaalsContact O-OD2 3.08Å
161Q92.4Very high93.3Very high99 Ų9986.7 Ų86.746%0.46344%0.438SS..Hα-helixtrans-59.8-35177-64.8177.50.800113.6E157 D164 T165E157-Q161 PolarHBondContact O-N 3.38Å; E157-Q161 PolarHBondContact OE1-NE2 2.87Å; Q161-D164 WeakPolarHBondContact CA-OD2 3.48Å; Q161-D164 PolarHBondContact N-OD2 3.08Å; Q161-T165 WeakPolarHBondContact O-CB 3.39Å; Q161-T165 PolarHBondContact O-N 3.32Å; Q161-T165 PolarHBondContact O-OG1 3.01Å
162E92.9Very high93.4Very high132 Ų13290.5 Ų90.562%0.61745%0.454SS*.Hα-helixtrans-63.8-42170.3-175.2179.3-166.800111.6A158 L160 Q166A158-E162 WeakPolarHBondContact O-CB 3.24Å; A158-E162 PolarHBondContact O-N 3.07Å; A158-E162 VanDerWaalsContact O-N 3.1Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.5Å; E162-Q166 WeakPolarHBondContact O-CB 3.42Å; E162-Q166 PolarHBondContact O-N 3.34Å
163A93.5Very high93.5Very high19 Ų1990.6 Ų90.616%0.15745%0.449CS..Hα-helixtrans-72.9-31.5177.200000113.6H148 L151 Y159 L160 I167H148-A163 PolarHBondContact ND1-O 3.35Å; H148-A163 VanDerWaalsContact ND1-O 3.16Å; L151-A163 HydrophobicContact CD1-CB 3.48Å; L151-A163 VanDerWaalsContact CD1-CB 3.48Å; Y159-A163 WeakPolarHBondContact O-CB 3.32Å; Y159-A163 PolarHBondContact O-N 2.97Å; L160-A163 CarbonylContact O-C 3.46Å; L160-A163 WeakPolarHBondContact O-CA 3.39Å; L160-A163 WeakPolarHBondContact O-CB 3.38Å; L160-A163 PolarHBondContact O-N 2.81Å; A163-I167 WeakPolarHBondContact O-CG2 3.48Å; A163-I167 PolarHBondContact O-N 2.95Å
164D95.1Very high93.8Very high71 Ų7185.6 Ų85.638%0.3841%0.414SS..Hα-helixtrans-62.7-53.7170-66.3-48.5000109.9H148 L160 Q161 Q166 I167 D168H148-D164 IonicContact CE1-OD1 2.72Å; H148-D164 PolarHBondContact CE1-OD1 3.19Å; H148-D164 VanDerWaalsContact CE1-OD1 3.26Å; H148-D164 IonicContact NE2-OD1 3.86Å; L160-D164 VanDerWaalsContact C-OD2 3.31Å; L160-D164 PolarHBondContact O-N 3.3Å; L160-D164 VanDerWaalsContact O-OD2 3.08Å; Q161-D164 WeakPolarHBondContact CA-OD2 3.48Å; Q161-D164 PolarHBondContact N-OD2 3.08Å; D164-Q166 PolarHBondContact O-N 3.34Å; D164-I167 VanDerWaalsContact O-CG2 3.26Å; D164-I167 WeakPolarHBondContact O-CG2 3.5Å; D164-I167 PolarHBondContact O-N 3.31Å; D164-I167 VanDerWaalsContact O-N 3.15Å; D164-D168 WeakPolarHBondContact O-CB 3.32Å; D164-D168 PolarHBondContact O-N 3.4Å
165T95.2Very high93.9Very high99 Ų9978.3 Ų78.361%0.60738%0.382SS*.Hα-helixtrans-57.8-38.7178.6-550000111.7Q161 K169Q161-T165 WeakPolarHBondContact O-CB 3.39Å; Q161-T165 PolarHBondContact O-N 3.32Å; Q161-T165 PolarHBondContact O-OG1 3.01Å; T165-K169 WeakPolarHBondContact O-CB 3.06Å; T165-K169 PolarHBondContact O-N 3.47Å
166Q93.9Very high94.1Very high78 Ų7878 Ų7836%0.36438%0.384SS..Hα-helixtrans-72.5-38.7177.9-179.956.235.500112.7E162 D164 E170E162-Q166 WeakPolarHBondContact O-CB 3.42Å; E162-Q166 PolarHBondContact O-N 3.34Å; D164-Q166 PolarHBondContact O-N 3.34Å; Q166-E170 VanDerWaalsContact NE2-CG 3.31Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.36Å; Q166-E170 PolarHBondContact O-N 3.49Å; Q166-E170 VanDerWaalsContact O-N 3.17Å
167I96.2Very high94.3Very high7 Ų770.1 Ų70.14%0.03635%0.351CS..Hα-helixtrans-72.6-34.4176.1-169.957.8000112.1Y141 T144 L145 A163 D164 K169 E170 R171Y141-I167 HydrophobicContact CD2-CD1 3.81Å; Y141-I167 HydrophobicContact CE2-CD1 3.61Å; Y141-I167 HydrophobicContact CE2-CG1 4.24Å; T144-I167 HydrophobicContact CG2-CD1 4.08Å; L145-I167 HydrophobicContact CB-CD1 3.96Å; L145-I167 HydrophobicContact CD1-CD1 4.26Å; L145-I167 HydrophobicContact CD1-CG1 4.07Å; A163-I167 WeakPolarHBondContact O-CG2 3.48Å; A163-I167 PolarHBondContact O-N 2.95Å; D164-I167 VanDerWaalsContact O-CG2 3.26Å; D164-I167 WeakPolarHBondContact O-CG2 3.5Å; D164-I167 PolarHBondContact O-N 3.31Å; D164-I167 VanDerWaalsContact O-N 3.15Å; I167-K169 VanDerWaalsContact C-N 3.35Å; I167-K169 PolarHBondContact O-N 3.02Å; I167-E170 PolarHBondContact O-N 2.9Å; I167-R171 VanDerWaalsContact O-CB 3.27Å; I167-R171 WeakPolarHBondContact O-CB 3.38Å; I167-R171 PolarHBondContact O-N 3.47Å
168D95.4Very high94.5Very high78 Ų7864.4 Ų64.442%0.41732%0.324SS..Hα-helixtrans-59.6-44.8173.2-87.77.7000111.7D164 R171 Q172D164-D168 WeakPolarHBondContact O-CB 3.32Å; D164-D168 PolarHBondContact O-N 3.4Å; D168-R171 PolarHBondContact O-N 2.88Å; D168-R171 IonicContact OD1-CZ 3.07Å; D168-R171 IonicContact OD1-NH1 3.48Å; D168-R171 PolarHBondContact OD1-NH1 3.38Å; D168-R171 IonicContact OD1-NH2 3.06Å; D168-R171 PolarHBondContact OD1-NH2 3.49Å; D168-R171 IonicContact OD2-NH2 2.8Å; D168-Q172 PolarHBondContact O-N 3.04Å
169K95.6Very high94.7Very high134 Ų13464.4 Ų64.458%0.58331%0.314SS*.Hα-helixtrans-63.3-43.6176.6-180-179.3175.1-175.30112.9T165 I167 Q172 L173T165-K169 WeakPolarHBondContact O-CB 3.06Å; T165-K169 PolarHBondContact O-N 3.47Å; I167-K169 VanDerWaalsContact C-N 3.35Å; I167-K169 PolarHBondContact O-N 3.02Å; K169-Q172 PolarHBondContact O-N 3.28Å; K169-L173 PolarHBondContact O-N 2.95Å; K169-L173 VanDerWaalsContact O-N 3.12Å
170E95.6Very high94.9Very high18 Ų1863.3 Ų63.38%0.08431%0.312CS..Hα-helixtrans-70.7-34.8177.6-64-60.9167.500112K140 Y141 T144 Q166 I167 L173 F174K140-E170 WeakPolarHBondContact CD-OE2 3.48Å; K140-E170 VanDerWaalsContact CE-CD 3.5Å; K140-E170 WeakPolarHBondContact CE-OE1 3.26Å; K140-E170 WeakPolarHBondContact CE-OE2 3.48Å; K140-E170 IonicContact NZ-OE1 2.78Å; K140-E170 PolarHBondContact NZ-OE1 3.29Å; K140-E170 IonicContact NZ-OE2 3.3Å; K140-E170 PolarHBondContact NZ-OE2 3.04Å; Y141-E170 HydrophobicContact CD2-CB 4.41Å; T144-E170 HydrophobicContact CG2-CG 4.41Å; Q166-E170 VanDerWaalsContact NE2-CG 3.31Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.36Å; Q166-E170 PolarHBondContact O-N 3.49Å; Q166-E170 VanDerWaalsContact O-N 3.17Å; I167-E170 PolarHBondContact O-N 2.9Å; E170-L173 PolarHBondContact O-N 3.06Å; E170-F174 WeakPolarHBondContact O-CB 3.31Å; E170-F174 PolarHBondContact O-N 2.63Å
171R94.6Very high95.1Very high80 Ų8061.6 Ų61.630%0.30230%0.303SS..Hα-helixtrans-61-45.5172.1-173.8177.965.5-114.1-5.1111.4Y141 I167 D168 F174 Y175Y141-R171 HydrophobicContact CD2-CB 4.14Å; Y141-R171 HydrophobicContact CE2-CB 3.56Å; Y141-R171 HydrophobicContact CE2-CG 3.94Å; I167-R171 VanDerWaalsContact O-CB 3.27Å; I167-R171 WeakPolarHBondContact O-CB 3.38Å; I167-R171 PolarHBondContact O-N 3.47Å; D168-R171 PolarHBondContact O-N 2.88Å; D168-R171 IonicContact OD1-CZ 3.07Å; D168-R171 IonicContact OD1-NH1 3.48Å; D168-R171 PolarHBondContact OD1-NH1 3.38Å; D168-R171 IonicContact OD1-NH2 3.06Å; D168-R171 PolarHBondContact OD1-NH2 3.49Å; D168-R171 IonicContact OD2-NH2 2.8Å; R171-F174 PolarHBondContact O-N 3.43Å; R171-Y175 HydrophobicContact CG-CD2 3.93Å; R171-Y175 HydrophobicContact CG-CE2 3.38Å; R171-Y175 WeakPolarHBondContact O-CD2 3.17Å; R171-Y175 PolarHBondContact O-N 3.13Å
172Q95.1Very high95.3Very high122 Ų12257 Ų5757%0.5728%0.281SS*.Hα-helixtrans-61.3-48.3176.9-177.3177.4-5.900111.6D168 K169 F174 Y175 D176D168-Q172 PolarHBondContact O-N 3.04Å; K169-Q172 PolarHBondContact O-N 3.28Å; Q172-F174 VanDerWaalsContact C-N 3.3Å; Q172-F174 PolarHBondContact O-N 3.32Å; Q172-Y175 PolarHBondContact O-N 3.45Å; Q172-Y175 VanDerWaalsContact O-N 3.1Å; Q172-D176 PolarHBondContact O-N 3.25Å
173L95.6Very high95.4Very high68 Ų6856.2 Ų56.236%0.35628%0.277SS..Hα-helixtrans-61.9-37.1179.9-179.759.3000112.6E137 K169 E170 T177E137-L173 HydrophobicContact CG-CD2 4.49Å; E137-L173 HydrophobicContact CG-CG 4.28Å; E137-L173 WeakPolarHBondContact OE2-CD2 3.49Å; K169-L173 PolarHBondContact O-N 2.95Å; K169-L173 VanDerWaalsContact O-N 3.12Å; E170-L173 PolarHBondContact O-N 3.06Å; L173-T177 WeakPolarHBondContact O-CB 3.32Å; L173-T177 PolarHBondContact O-N 3.34Å; L173-T177 PolarHBondContact O-OG1 3.36Å
174F96.2Very high95.5Very high2 Ų256.6 Ų56.61%0.00927%0.274CS..Hα-helixtrans-61.3-49.1170.8165.1-112.3000111.7D14 F134 T138 Y141 E170 R171 Q172 T177 S178D14-F174 HydrophobicContact CB-CE1 4.31Å; D14-F174 HydrophobicContact CB-CZ 4.13Å; D14-F174 WeakPolarHBondContact OD2-CZ 3.34Å; F134-F174 HydrophobicContact CD2-CE2 4.33Å; F134-F174 AromaticContact CE2-CE2 3.75Å; F134-F174 HydrophobicContact CE2-CE2 3.75Å; F134-F174 HydrophobicContact CE2-CZ 4.41Å; F134-F174 HydrophobicContact CZ-CE2 4.48Å; T138-F174 WeakPolarHBondContact OG1-CE2 3.38Å; Y141-F174 HydrophobicContact CD1-CB 4.31Å; Y141-F174 AromaticContact CD1-CD1 3.72Å; Y141-F174 HydrophobicContact CD1-CD1 3.72Å; Y141-F174 HydrophobicContact CD1-CE1 4.27Å; Y141-F174 AromaticContact CD1-CG 3.98Å; Y141-F174 HydrophobicContact CD1-CG 3.98Å; Y141-F174 HydrophobicContact CE1-CD1 4.07Å; Y141-F174 HydrophobicContact CE1-CE1 4.43Å; Y141-F174 HydrophobicContact CG-CB 4.08Å; Y141-F174 HydrophobicContact CG-CD1 4.33Å; Y141-F174 HydrophobicContact CG-CG 4.25Å; E170-F174 WeakPolarHBondContact O-CB 3.31Å; E170-F174 PolarHBondContact O-N 2.63Å; R171-F174 PolarHBondContact O-N 3.43Å; Q172-F174 VanDerWaalsContact C-N 3.3Å; Q172-F174 PolarHBondContact O-N 3.32Å; F174-T177 PolarHBondContact O-N 3.22Å; F174-S178 WeakPolarHBondContact O-CB 3.49Å; F174-S178 PolarHBondContact O-N 3.16Å
175Y94.4Very high95.5Very high42 Ų4253.5 Ų53.517%0.16526%0.258CS..Hα-helixtrans-63.1-46.3178.6-67.8-32.4000113.2F12 R171 Q172 T177 S178 L179F12-Y175 HydrophobicContact CD2-CD1 4.09Å; F12-Y175 AromaticContact CD2-CD2 3.71Å; F12-Y175 HydrophobicContact CD2-CD2 3.71Å; F12-Y175 HydrophobicContact CD2-CE1 4.02Å; F12-Y175 AromaticContact CD2-CE2 3.62Å; F12-Y175 HydrophobicContact CD2-CE2 3.62Å; F12-Y175 AromaticContact CD2-CG 3.94Å; F12-Y175 HydrophobicContact CD2-CG 3.94Å; F12-Y175 AromaticContact CD2-CZ 3.78Å; F12-Y175 AromaticContact CE2-CD2 3.53Å; F12-Y175 HydrophobicContact CE2-CD2 3.53Å; F12-Y175 HydrophobicContact CE2-CE1 4.4Å; F12-Y175 AromaticContact CE2-CE2 3.21Å; F12-Y175 HydrophobicContact CE2-CE2 3.21Å; F12-Y175 HydrophobicContact CE2-CG 4.25Å; F12-Y175 AromaticContact CE2-CZ 3.7Å; F12-Y175 HydrophobicContact CG-CE1 4.27Å; F12-Y175 HydrophobicContact CG-CE2 4.45Å; F12-Y175 HydrophobicContact CZ-CD2 4.48Å; F12-Y175 AromaticContact CZ-CE2 3.75Å; F12-Y175 HydrophobicContact CZ-CE2 3.75Å; F12-Y175 WeakPolarHBondContact O-CE1 3.47Å; F12-Y175 PolarHBondContact O-OH 3.07Å; R171-Y175 HydrophobicContact CG-CD2 3.93Å; R171-Y175 HydrophobicContact CG-CE2 3.38Å; R171-Y175 WeakPolarHBondContact O-CD2 3.17Å; R171-Y175 PolarHBondContact O-N 3.13Å; Q172-Y175 PolarHBondContact O-N 3.45Å; Q172-Y175 VanDerWaalsContact O-N 3.1Å; Y175-T177 PolarHBondContact O-N 3.16Å; Y175-S178 VanDerWaalsContact O-CB 3.32Å; Y175-S178 WeakPolarHBondContact O-CB 3.46Å; Y175-S178 PolarHBondContact O-N 2.98Å; Y175-S178 VanDerWaalsContact O-N 3.07Å; Y175-L179 WeakPolarHBondContact O-CG 3.46Å; Y175-L179 PolarHBondContact O-N 3.01Å
176D95.3Very high95.3Very high85 Ų8552.2 Ų52.246%0.45525%0.245SC..Hα-helixtrans-58.4-39.4178.2-68.7-22.6000110.9Q172 E180Q172-D176 PolarHBondContact O-N 3.25Å; D176-E180 PolarHBondContact O-N 3.31Å
177T96.5Very high95.3Very high11 Ų1150.9 Ų50.97%0.06724%0.239CC..Hα-helixtrans-73.3-34176.2-48.60000112.6K133 F134 L173 F174 Y175 E180 Y181K133-T177 HydrophobicContact CB-CG2 3.68Å; F134-T177 HydrophobicContact CB-CG2 4.05Å; L173-T177 WeakPolarHBondContact O-CB 3.32Å; L173-T177 PolarHBondContact O-N 3.34Å; L173-T177 PolarHBondContact O-OG1 3.36Å; F174-T177 PolarHBondContact O-N 3.22Å; Y175-T177 PolarHBondContact O-N 3.16Å; T177-E180 PolarHBondContact O-N 3.23Å; T177-Y181 WeakPolarHBondContact O-CB 3.48Å; T177-Y181 PolarHBondContact O-N 3.15Å
178S96.3Very high95.2Very high1 Ų150.8 Ų50.81%0.00724%0.238CC..Hα-helixtrans-61.9-45173.6-166.10000111.1S11 F174 Y175 Y181 V182S11-S178 WeakPolarHBondContact CB-OG 3.36Å; S11-S178 PolarHBondContact O-OG 3.45Å; F174-S178 WeakPolarHBondContact O-CB 3.49Å; F174-S178 PolarHBondContact O-N 3.16Å; Y175-S178 VanDerWaalsContact O-CB 3.32Å; Y175-S178 WeakPolarHBondContact O-CB 3.46Å; Y175-S178 PolarHBondContact O-N 2.98Å; Y175-S178 VanDerWaalsContact O-N 3.07Å; S178-Y181 PolarHBondContact O-N 3.36Å; S178-V182 WeakPolarHBondContact O-CG2 3.42Å; S178-V182 PolarHBondContact O-N 3.33Å
179L95.3Very high94.9Very high71 Ų7148.8 Ų48.837%0.37223%0.227SC..Hα-helixtrans-65.3-45175.1-64173.4000111.9F8 Y175 Y181 V182 F183F8-L179 HydrophobicContact CB-CD2 3.85Å; F8-L179 HydrophobicContact CD1-CD2 3.57Å; F8-L179 HydrophobicContact CE1-CD2 4.49Å; F8-L179 HydrophobicContact CG-CD2 4.08Å; Y175-L179 WeakPolarHBondContact O-CG 3.46Å; Y175-L179 PolarHBondContact O-N 3.01Å; L179-Y181 PolarHBondContact O-N 3.34Å; L179-V182 PolarHBondContact O-N 3.45Å; L179-F183 VanDerWaalsContact O-CB 3.31Å; L179-F183 WeakPolarHBondContact O-CB 3.28Å; L179-F183 PolarHBondContact O-N 2.97Å
180E96Very high94.7Very high74 Ų7447.3 Ų47.335%0.34622%0.222SC..Hα-helixtrans-54.4-43.5173.2-168.1-167.7166.400110.7V130 K133 D176 T177 K184V130-E180 HydrophobicContact CG1-CB 4.24Å; V130-E180 HydrophobicContact CG1-CG 3.88Å; V130-E180 HydrophobicContact CG2-CG 4.47Å; V130-E180 WeakPolarHBondContact CG2-OE1 3.44Å; K133-E180 IonicContact NZ-OE1 2.67Å; K133-E180 PolarHBondContact NZ-OE1 2.93Å; K133-E180 IonicContact NZ-OE2 2.75Å; K133-E180 PolarHBondContact NZ-OE2 3.43Å; D176-E180 PolarHBondContact O-N 3.31Å; T177-E180 PolarHBondContact O-N 3.23Å; E180-K184 VanDerWaalsContact O-CB 3.31Å; E180-K184 WeakPolarHBondContact O-CB 3.3Å; E180-K184 PolarHBondContact O-N 3.35Å
181Y96.9Very high94.5Very high3 Ų348.6 Ų48.61%0.01223%0.227CC..Hα-helixtrans-72.4-45.8-176.1-171.1-140.9000113.4L22 E26 V130 K131 F134 T177 S178 L179 F183 K184 I185L22-Y181 HydrophobicContact CD1-CD1 4.25Å; L22-Y181 HydrophobicContact CD1-CE1 3.95Å; L22-Y181 HydrophobicContact CD2-CD1 4.37Å; L22-Y181 HydrophobicContact CD2-CE1 4.11Å; L22-Y181 HydrophobicContact CG-CE1 4.28Å; E26-Y181 WeakPolarHBondContact CG-OH 3.48Å; E26-Y181 PolarHBondContact OE1-OH 2.9Å; V130-Y181 HydrophobicContact CB-CD2 4.25Å; V130-Y181 HydrophobicContact CG1-CD2 3.9Å; V130-Y181 HydrophobicContact CG1-CG 4.27Å; K131-Y181 HydrophobicContact CB-CD2 4.37Å; K131-Y181 HydrophobicContact CB-CE1 4.29Å; K131-Y181 HydrophobicContact CB-CE2 3.58Å; K131-Y181 WeakPolarHBondContact CB-OH 3.33Å; K131-Y181 WeakPolarHBondContact CD-OH 3.49Å; K131-Y181 HydrophobicContact CG-CE1 4.15Å; K131-Y181 HydrophobicContact CG-CE2 4.29Å; K131-Y181 WeakPolarHBondContact CG-OH 3.46Å; F134-Y181 HydrophobicContact CB-CD1 3.96Å; F134-Y181 HydrophobicContact CB-CG 4.15Å; F134-Y181 AromaticContact CD1-CD1 3.38Å; F134-Y181 HydrophobicContact CD1-CD1 3.38Å; F134-Y181 AromaticContact CD1-CE1 3.72Å; F134-Y181 HydrophobicContact CD1-CE1 3.72Å; F134-Y181 HydrophobicContact CD1-CG 4.37Å; F134-Y181 HydrophobicContact CD2-CD1 4.34Å; F134-Y181 AromaticContact CE1-CD1 3.86Å; F134-Y181 HydrophobicContact CE1-CD1 3.86Å; F134-Y181 HydrophobicContact CE1-CE1 4.12Å; F134-Y181 AromaticContact CG-CD1 3.64Å; F134-Y181 HydrophobicContact CG-CD1 3.64Å; F134-Y181 HydrophobicContact CG-CE1 4.38Å; F134-Y181 HydrophobicContact CG-CG 4.24Å; T177-Y181 WeakPolarHBondContact O-CB 3.48Å; T177-Y181 PolarHBondContact O-N 3.15Å; S178-Y181 PolarHBondContact O-N 3.36Å; L179-Y181 PolarHBondContact O-N 3.34Å; Y181-F183 PolarHBondContact O-N 3.27Å; Y181-K184 PolarHBondContact O-N 3.37Å; Y181-I185 HydrophobicContact CD1-CD1 4.46Å; Y181-I185 HydrophobicContact CD2-CD1 4.32Å; Y181-I185 HydrophobicContact CD2-CG1 4.29Å; Y181-I185 HydrophobicContact CE1-CD1 4.01Å; Y181-I185 HydrophobicContact CE2-CD1 3.82Å; Y181-I185 HydrophobicContact CE2-CG1 3.89Å; Y181-I185 PolarHBondContact O-N 3.29Å
182V95.6Very high94.3Very high1 Ų147.1 Ų47.11%0.00622%0.223CC..Hα-helixtrans-60.5-45.7175.8169.10000111L6 F8 F18 S178 L179 K184 I185 Q186L6-V182 HydrophobicContact CB-CG1 3.71Å; L6-V182 WeakPolarHBondContact O-CG1 3.49Å; F8-V182 HydrophobicContact CD1-CB 4.16Å; F8-V182 HydrophobicContact CD1-CG1 3.78Å; F8-V182 HydrophobicContact CE1-CB 3.99Å; F8-V182 HydrophobicContact CE1-CG1 3.64Å; F8-V182 HydrophobicContact CZ-CG1 4.38Å; F18-V182 HydrophobicContact CE2-CG2 3.9Å; F18-V182 HydrophobicContact CZ-CG2 3.65Å; S178-V182 WeakPolarHBondContact O-CG2 3.42Å; S178-V182 PolarHBondContact O-N 3.33Å; L179-V182 PolarHBondContact O-N 3.45Å; V182-K184 PolarHBondContact O-N 3.49Å; V182-I185 PolarHBondContact O-N 2.89Å; V182-Q186 WeakPolarHBondContact O-CG 3.43Å; V182-Q186 PolarHBondContact O-N 3.17Å; V182-Q186 VanDerWaalsContact O-N 3.17Å
183F94.5Very high93.9Very high117 Ų11747.3 Ų47.351%0.51322%0.222SC..Hα-helixtrans-58.1-47.7175173.6-100.7000111.3F8 L179 Y181 I185 Q186 E187F8-F183 HydrophobicContact CE1-CB 4.09Å; F8-F183 HydrophobicContact CZ-CB 4.1Å; L179-F183 VanDerWaalsContact O-CB 3.31Å; L179-F183 WeakPolarHBondContact O-CB 3.28Å; L179-F183 PolarHBondContact O-N 2.97Å; Y181-F183 PolarHBondContact O-N 3.27Å; F183-I185 VanDerWaalsContact C-N 3.34Å; F183-I185 PolarHBondContact O-N 3.41Å; F183-Q186 PolarHBondContact O-N 3.08Å; F183-E187 PolarHBondContact O-N 3.22Å
184K95.9Very high93.7Very high26 Ų2648.7 Ų48.711%0.11323%0.225CC..Hα-helixtrans-66.6-32.8-177.3-171.358.4-177.4178.30113.1A127 V130 E180 Y181 V182 E187 V188A127-K184 HydrophobicContact CB-CG 3.96Å; V130-K184 HydrophobicContact CG2-CG 4.38Å; E180-K184 VanDerWaalsContact O-CB 3.31Å; E180-K184 WeakPolarHBondContact O-CB 3.3Å; E180-K184 PolarHBondContact O-N 3.35Å; Y181-K184 PolarHBondContact O-N 3.37Å; V182-K184 PolarHBondContact O-N 3.49Å; K184-E187 WeakPolarHBondContact CD-OE2 3.43Å; K184-E187 WeakPolarHBondContact CE-OE2 3.4Å; K184-E187 IonicContact NZ-OE2 2.68Å; K184-E187 PolarHBondContact NZ-OE2 2.76Å; K184-V188 VanDerWaalsContact O-CG2 3.3Å; K184-V188 WeakPolarHBondContact O-CG2 3.45Å; K184-V188 PolarHBondContact O-N 2.82Å
185I95Very high93.5Very high6 Ų650.7 Ų50.73%0.03124%0.235CC..Hα-helixtrans-62.9-49.4171.3-73.4174.4000110.8L6 L22 H25 Y181 V182 F183 E187 V188 Q189L6-I185 HydrophobicContact CD1-CB 4.41Å; L6-I185 HydrophobicContact CD1-CD1 4.23Å; L6-I185 HydrophobicContact CD1-CG2 3.94Å; L22-I185 HydrophobicContact CD1-CD1 3.39Å; H25-I185 HydrophobicContact CB-CG2 3.8Å; Y181-I185 HydrophobicContact CD1-CD1 4.46Å; Y181-I185 HydrophobicContact CD2-CD1 4.32Å; Y181-I185 HydrophobicContact CD2-CG1 4.29Å; Y181-I185 HydrophobicContact CE1-CD1 4.01Å; Y181-I185 HydrophobicContact CE2-CD1 3.82Å; Y181-I185 HydrophobicContact CE2-CG1 3.89Å; Y181-I185 PolarHBondContact O-N 3.29Å; V182-I185 PolarHBondContact O-N 2.89Å; F183-I185 VanDerWaalsContact C-N 3.34Å; F183-I185 PolarHBondContact O-N 3.41Å; I185-E187 PolarHBondContact O-N 2.94Å; I185-V188 PolarHBondContact O-N 2.89Å; I185-Q189 HydrophobicContact CG2-CG 4.43Å; I185-Q189 WeakPolarHBondContact O-CG 3.22Å; I185-Q189 PolarHBondContact O-N 3.26Å
186Q92Very high93.2Very high72 Ų7250.3 Ų50.334%0.33623%0.234SC..Hα-helixtrans-61.5-44.9-179.5-66.5-176.131.100111.4L6 V182 F183 V188 Q189 E190L6-Q186 PolarHBondContact O-NE2 2.78Å; V182-Q186 WeakPolarHBondContact O-CG 3.43Å; V182-Q186 PolarHBondContact O-N 3.17Å; V182-Q186 VanDerWaalsContact O-N 3.17Å; F183-Q186 PolarHBondContact O-N 3.08Å; Q186-V188 VanDerWaalsContact C-N 3.3Å; Q186-V188 PolarHBondContact O-N 2.74Å; Q186-Q189 PolarHBondContact O-N 2.92Å; Q186-Q189 VanDerWaalsContact O-N 3.12Å; Q186-E190 PolarHBondContact O-N 3.41Å
187E93.1Very high92.9Very high51 Ų5149.9 Ų49.924%0.23823%0.234CC..Hα-helixtrans-55.6-43.2177.6-163.5-150.8-177.800112F183 K184 I185 E190 K191F183-E187 PolarHBondContact O-N 3.22Å; K184-E187 WeakPolarHBondContact CD-OE2 3.43Å; K184-E187 WeakPolarHBondContact CE-OE2 3.4Å; K184-E187 IonicContact NZ-OE2 2.68Å; K184-E187 PolarHBondContact NZ-OE2 2.76Å; I185-E187 PolarHBondContact O-N 2.94Å; E187-E190 PolarHBondContact O-N 3Å; E187-K191 HydrophobicContact CG-CD 4.1Å; E187-K191 WeakPolarHBondContact O-CB 3.46Å; E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 3.15Å; E187-K191 WeakPolarHBondContact OE1-CE 3.4Å; E187-K191 IonicContact OE1-NZ 2.69Å; E187-K191 PolarHBondContact OE1-NZ 3.41Å
188V94.4Very high92.8Very high4 Ų454.8 Ų54.82%0.02426%0.256CS..Hα-helixtrans-70.5-36.9178.4178.20000112L29 F119 Q123 I124 A127 K184 I185 Q186 K192L29-V188 HydrophobicContact CD1-CG1 3.75Å; F119-V188 HydrophobicContact CZ-CG1 3.99Å; Q123-V188 HydrophobicContact CB-CG2 4.12Å; Q123-V188 WeakPolarHBondContact O-CG2 3.18Å; I124-V188 HydrophobicContact CG1-CG1 4.19Å; A127-V188 HydrophobicContact CB-CG2 4.15Å; K184-V188 VanDerWaalsContact O-CG2 3.3Å; K184-V188 WeakPolarHBondContact O-CG2 3.45Å; K184-V188 PolarHBondContact O-N 2.82Å; I185-V188 PolarHBondContact O-N 2.89Å; Q186-V188 VanDerWaalsContact C-N 3.3Å; Q186-V188 PolarHBondContact O-N 2.74Å; V188-K192 WeakPolarHBondContact O-CB 3.5Å; V188-K192 PolarHBondContact O-N 2.85Å
189Q90.1Very high92.8Very high36 Ų3655.1 Ų55.117%0.16826%0.258CS..Hα-helixtrans-67.6-33.4176.4-67.1-75.722.800112.5H25 I185 Q186H25-Q189 PolarHBondContact ND1-NE2 2.86Å; I185-Q189 HydrophobicContact CG2-CG 4.43Å; I185-Q189 WeakPolarHBondContact O-CG 3.22Å; I185-Q189 PolarHBondContact O-N 3.26Å; Q186-Q189 PolarHBondContact O-N 2.92Å; Q186-Q189 VanDerWaalsContact O-N 3.12Å
190E89.6Confident92.6Very high104 Ų10454.3 Ų54.349%0.48625%0.254SS..Hα-helixtrans-74.7-49.1173.2-66.6-52.2124.700111.7Q186 E187 K192 K193Q186-E190 PolarHBondContact O-N 3.41Å; E187-E190 PolarHBondContact O-N 3Å; E190-K192 VanDerWaalsContact C-N 3.27Å; E190-K192 PolarHBondContact O-N 2.98Å; E190-K193 VanDerWaalsContact O-CB 3.28Å; E190-K193 WeakPolarHBondContact O-CB 3.37Å; E190-K193 WeakPolarHBondContact O-CG 3.41Å; E190-K193 PolarHBondContact O-N 2.84Å; E190-K193 WeakPolarHBondContact OE1-CE 3.42Å; E190-K193 IonicContact OE1-NZ 2.8Å; E190-K193 PolarHBondContact OE1-NZ 3.43Å; E190-K193 WeakPolarHBondContact OE2-CE 3.3Å; E190-K193 IonicContact OE2-NZ 3.81Å; E190-K193 PolarHBondContact OE2-NZ 3.4Å
191K92.4Very high92.5Very high45 Ų4556.3 Ų56.320%0.19627%0.266CS..Hα-helixtrans-58.3-36.5177.7-76.3175.5153.8173.80113.4F119 Q123 E187 K193 F194 E195F119-K191 HydrophobicContact CE2-CB 3.87Å; Q123-K191 HydrophobicContact CG-CD 4.29Å; E187-K191 HydrophobicContact CG-CD 4.1Å; E187-K191 WeakPolarHBondContact O-CB 3.46Å; E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 3.15Å; E187-K191 WeakPolarHBondContact OE1-CE 3.4Å; E187-K191 IonicContact OE1-NZ 2.69Å; E187-K191 PolarHBondContact OE1-NZ 3.41Å; K191-K193 PolarHBondContact O-N 3.16Å; K191-F194 HydrophobicContact CB-CE1 4.47Å; K191-F194 HydrophobicContact CB-CZ 4.43Å; K191-F194 HydrophobicContact CG-CE1 4.27Å; K191-F194 HydrophobicContact CG-CZ 3.97Å; K191-F194 PolarHBondContact O-N 2.96Å; K191-F194 VanDerWaalsContact O-N 3.14Å; K191-E195 HydrophobicContact CB-CG 4.39Å; K191-E195 WeakPolarHBondContact CD-OE1 3.32Å; K191-E195 VanDerWaalsContact CE-OE1 3.24Å; K191-E195 WeakPolarHBondContact CE-OE1 3.38Å; K191-E195 VanDerWaalsContact CG-OE1 3.27Å; K191-E195 WeakPolarHBondContact CG-OE1 3.34Å; K191-E195 WeakPolarHBondContact O-CB 3.28Å; K191-E195 PolarHBondContact O-N 3.36Å
192K89.8Confident92.4Very high49 Ų4958.3 Ų58.321%0.21328%0.284CS..THydrogen-bonded Turntrans-51.5-25.9172.5177.3-180172.5178.40113.3E28 T32 F119 V188 E190 F196E28-K192 IonicContact OE1-NZ 3.24Å; E28-K192 PolarHBondContact OE1-NZ 3.34Å; T32-K192 HydrophobicContact CG2-CD 3.97Å; T32-K192 PolarHBondContact OG1-NZ 2.96Å; F119-K192 HydrophobicContact CZ-CB 3.89Å; V188-K192 WeakPolarHBondContact O-CB 3.5Å; V188-K192 PolarHBondContact O-N 2.85Å; E190-K192 VanDerWaalsContact C-N 3.27Å; E190-K192 PolarHBondContact O-N 2.98Å; K192-F196 VanDerWaalsContact O-CB 3.28Å; K192-F196 WeakPolarHBondContact O-CB 3.26Å
193K88.1Confident92.3Very high126 Ų12659 Ų5955%0.54829%0.287SS..THydrogen-bonded Turntrans-75.7-25.4-177.1-58.5175.3-171.2172.90113.6E190 K191 V197E190-K193 VanDerWaalsContact O-CB 3.28Å; E190-K193 WeakPolarHBondContact O-CB 3.37Å; E190-K193 WeakPolarHBondContact O-CG 3.41Å; E190-K193 PolarHBondContact O-N 2.84Å; E190-K193 WeakPolarHBondContact OE1-CE 3.42Å; E190-K193 IonicContact OE1-NZ 2.8Å; E190-K193 PolarHBondContact OE1-NZ 3.43Å; E190-K193 WeakPolarHBondContact OE2-CE 3.3Å; E190-K193 IonicContact OE2-NZ 3.81Å; E190-K193 PolarHBondContact OE2-NZ 3.4Å; K191-K193 PolarHBondContact O-N 3.16Å; K193-V197 WeakPolarHBondContact O-CG2 3.48Å
194F90.9Very high92.3Very high96 Ų9657.3 Ų57.342%0.42128%0.282SS..THydrogen-bonded Turntrans-122.4-49.4-177.563.4-89.3000113.1K191 F196 V197 E198K191-F194 HydrophobicContact CB-CE1 4.47Å; K191-F194 HydrophobicContact CB-CZ 4.43Å; K191-F194 HydrophobicContact CG-CE1 4.27Å; K191-F194 HydrophobicContact CG-CZ 3.97Å; K191-F194 PolarHBondContact O-N 2.96Å; K191-F194 VanDerWaalsContact O-N 3.14Å; F194-F196 PolarHBondContact O-N 3.09Å; F194-V197 PolarHBondContact O-N 3.1Å; F194-E198 WeakPolarHBondContact O-CG 3.38Å; F194-E198 PolarHBondContact O-N 3.07Å
195E92.4Very high92.1Very high45 Ų4561.5 Ų61.521%0.2130%0.302CS..THydrogen-bonded Turntrans-58.9-19.7179.3-66.2-171.8-142.500113.1F119 K191 P199F119-E195 HydrophobicContact CD2-CB 3.68Å; F119-E195 HydrophobicContact CD2-CG 4.4Å; F119-E195 WeakPolarHBondContact CD2-OE2 3.43Å; F119-E195 HydrophobicContact CE2-CB 4.19Å; K191-E195 HydrophobicContact CB-CG 4.39Å; K191-E195 WeakPolarHBondContact CD-OE1 3.32Å; K191-E195 VanDerWaalsContact CE-OE1 3.24Å; K191-E195 WeakPolarHBondContact CE-OE1 3.38Å; K191-E195 VanDerWaalsContact CG-OE1 3.27Å; K191-E195 WeakPolarHBondContact CG-OE1 3.34Å; K191-E195 WeakPolarHBondContact O-CB 3.28Å; K191-E195 PolarHBondContact O-N 3.36Å; E195-P199 VanDerWaalsContact O-CD 3.28Å; E195-P199 WeakPolarHBondContact O-CD 3.46Å; E195-P199 WeakPolarHBondContact O-CG 3.37Å
196F87.8Confident92Very high33 Ų3362.4 Ų62.415%0.14531%0.314CS..THydrogen-bonded Turntrans-92.2-26.6174.3-174.4-104.9000114.2F35 I36 L39 L116 K192 F194 L200F35-F196 HydrophobicContact CD1-CZ 4.13Å; F35-F196 HydrophobicContact CE1-CE1 4.12Å; F35-F196 AromaticContact CE1-CZ 3.63Å; F35-F196 HydrophobicContact CE1-CZ 3.63Å; I36-F196 HydrophobicContact CD1-CD2 4.16Å; I36-F196 HydrophobicContact CD1-CE2 4.37Å; I36-F196 HydrophobicContact CG1-CD2 4.05Å; I36-F196 HydrophobicContact CG1-CE2 3.75Å; L39-F196 HydrophobicContact CD2-CE2 3.73Å; L39-F196 HydrophobicContact CD2-CZ 3.49Å; L39-F196 VanDerWaalsContact CD2-CZ 3.49Å; L116-F196 HydrophobicContact CD2-CD2 3.38Å; L116-F196 HydrophobicContact CD2-CE2 3.57Å; L116-F196 HydrophobicContact CD2-CG 4.4Å; K192-F196 VanDerWaalsContact O-CB 3.28Å; K192-F196 WeakPolarHBondContact O-CB 3.26Å; F194-F196 PolarHBondContact O-N 3.09Å; F196-L200 HydrophobicContact CD1-CD1 4.37Å; F196-L200 HydrophobicContact CE1-CD1 3.92Å; F196-L200 HydrophobicContact CZ-CD1 4.19Å; F196-L200 WeakPolarHBondContact O-CD1 3.45Å
197V88.9Confident92.1Very high76 Ų7660.5 Ų60.546%0.46131%0.306SS..Hα-helixtrans-93.1-36.1-173.41800000111.5K193 F194 L200 L201K193-V197 WeakPolarHBondContact O-CG2 3.48Å; F194-V197 PolarHBondContact O-N 3.1Å; V197-L200 PolarHBondContact O-N 3.33Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 PolarHBondContact O-N 2.98Å
198E94.3Very high92.1Very high114 Ų11464.2 Ų64.253%0.53332%0.321SS..Hα-helixtrans-57.8-44.4177.6-68165.2177.500113.2F194 L200 L201 A202F194-E198 WeakPolarHBondContact O-CG 3.38Å; F194-E198 PolarHBondContact O-N 3.07Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 2.81Å; E198-L201 PolarHBondContact O-N 3.08Å; E198-A202 WeakPolarHBondContact O-CB 3.22Å; E198-A202 PolarHBondContact O-N 2.67Å
199P95Very high92.1Very high8 Ų867.6 Ų67.65%0.05234%0.342CS..Hα-helixtrans-61.9-40.2176.6-24.236.5000113V111 L112 P115 L116 E195 F203V111-P199 WeakPolarHBondContact O-CA 3.4Å; V111-P199 WeakPolarHBondContact O-CB 3.47Å; L112-P199 HydrophobicContact CD1-CB 4.14Å; P115-P199 HydrophobicContact CB-CB 4.12Å; P115-P199 HydrophobicContact CB-CG 3.6Å; P115-P199 HydrophobicContact CG-CG 4.39Å; L116-P199 HydrophobicContact CG-CB 4.47Å; E195-P199 VanDerWaalsContact O-CD 3.28Å; E195-P199 WeakPolarHBondContact O-CD 3.46Å; E195-P199 WeakPolarHBondContact O-CG 3.37Å; P199-F203 WeakPolarHBondContact O-CB 3.26Å; P199-F203 PolarHBondContact O-N 3.32Å
200L92.7Very high92.3Very high55 Ų5567.3 Ų67.329%0.28834%0.34SS..Hα-helixtrans-68-43.1178.2-71.3168.1000111.5L39 L112 F196 V197 E198 F203 L204L39-L200 HydrophobicContact CD2-CD2 4.43Å; L112-L200 HydrophobicContact CD1-CD2 3.76Å; L112-L200 HydrophobicContact CD1-CG 4.23Å; F196-L200 HydrophobicContact CD1-CD1 4.37Å; F196-L200 HydrophobicContact CE1-CD1 3.92Å; F196-L200 HydrophobicContact CZ-CD1 4.19Å; F196-L200 WeakPolarHBondContact O-CD1 3.45Å; V197-L200 PolarHBondContact O-N 3.33Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 2.81Å; L200-F203 PolarHBondContact O-N 3.37Å; L200-L204 WeakPolarHBondContact O-CB 2.82Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.48Å; L200-L204 PolarHBondContact O-N 3.14Å
201L93.6Very high92.5Very high115 Ų11569.7 Ų69.760%0.60235%0.346SS*.Hα-helixtrans-64.2-43.9176.9179.360.3000111.7V197 E198 L204 Q205V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 PolarHBondContact O-N 2.98Å; E198-L201 PolarHBondContact O-N 3.08Å; L201-L204 PolarHBondContact O-N 2.78Å; L201-Q205 PolarHBondContact O-N 2.79Å
202A93.9Very high92.6Very high45 Ų4573 Ų7337%0.37236%0.362SS..Hα-helixtrans-66.9-38.3178.600000112.3V111 E198 Q205 G206V111-A202 HydrophobicContact CG1-CB 3.38Å; E198-A202 WeakPolarHBondContact O-CB 3.22Å; E198-A202 PolarHBondContact O-N 2.67Å; A202-Q205 PolarHBondContact O-N 3.38Å; A202-G206 PolarHBondContact O-N 2.98Å
203F94.1Very high92.8Very high17 Ų1773.4 Ų73.48%0.07537%0.365CS..Hα-helixtrans-64.5-42.5172.3179.8-109.8000112.6L46 L104 A108 L112 P199 L200 Q205 G206 L207L46-F203 HydrophobicContact CD2-CE1 3.9Å; L46-F203 HydrophobicContact CD2-CZ 3.81Å; L104-F203 HydrophobicContact CD1-CE2 4.25Å; A108-F203 HydrophobicContact CB-CD2 4.1Å; A108-F203 HydrophobicContact CB-CE2 3.81Å; L112-F203 HydrophobicContact CB-CB 4.27Å; L112-F203 HydrophobicContact CB-CD2 4.49Å; L112-F203 HydrophobicContact CB-CG 4.44Å; L112-F203 HydrophobicContact CD1-CB 4.46Å; L112-F203 HydrophobicContact CD2-CB 4.4Å; L112-F203 HydrophobicContact CD2-CD1 4.01Å; L112-F203 HydrophobicContact CD2-CD2 4.28Å; L112-F203 HydrophobicContact CD2-CE1 4.35Å; L112-F203 HydrophobicContact CD2-CG 3.97Å; P199-F203 WeakPolarHBondContact O-CB 3.26Å; P199-F203 PolarHBondContact O-N 3.32Å; L200-F203 PolarHBondContact O-N 3.37Å; F203-Q205 PolarHBondContact O-N 3.23Å; F203-G206 PolarHBondContact O-N 3.21Å; F203-L207 HydrophobicContact CD1-CD1 3.91Å; F203-L207 HydrophobicContact CE1-CD1 3.47Å; F203-L207 VanDerWaalsContact CE1-CD1 3.47Å; F203-L207 HydrophobicContact CE1-CG 4.29Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CG 4.3Å; F203-L207 PolarHBondContact O-N 2.99Å
204L93.7Very high93.1Very high80 Ų8068.5 Ų68.542%0.41935%0.35SS..Hα-helixtrans-62.6-39.9174.3-74.2169000112.2L200 L201 G206 L207 F208L200-L204 WeakPolarHBondContact O-CB 2.82Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.48Å; L200-L204 PolarHBondContact O-N 3.14Å; L201-L204 PolarHBondContact O-N 2.78Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-G206 PolarHBondContact O-N 2.9Å; L204-L207 HydrophobicContact CD2-CD1 4.28Å; L204-L207 WeakPolarHBondContact O-CB 3.38Å; L204-L207 PolarHBondContact O-N 3.39Å; L204-F208 HydrophobicContact CB-CE2 4.17Å; L204-F208 WeakPolarHBondContact O-CD2 3.39Å; L204-F208 WeakPolarHBondContact O-CG 3.27Å; L204-F208 PolarHBondContact O-N 3.08Å
205Q93.3Very high93.3Very high114 Ų11471 Ų7153%0.53336%0.357SS..Hα-helixtrans-62.1-38.8173.5-177.157.243.800111.7L201 A202 F203 T209L201-Q205 PolarHBondContact O-N 2.79Å; A202-Q205 PolarHBondContact O-N 3.38Å; F203-Q205 PolarHBondContact O-N 3.23Å; Q205-T209 PolarHBondContact NE2-OG1 3.45Å; Q205-T209 WeakPolarHBondContact O-CB 3.47Å; Q205-T209 PolarHBondContact O-N 2.99Å; Q205-T209 PolarHBondContact O-OG1 3.23Å
206G92.8Very high93.4Very high26 Ų2672.7 Ų72.727%0.26837%0.365SS..Hα-helixtrans-60.5-46.2171.600000112.8A202 F203 L204 T209 F210A202-G206 PolarHBondContact O-N 2.98Å; F203-G206 PolarHBondContact O-N 3.21Å; L204-G206 VanDerWaalsContact C-N 3.31Å; L204-G206 PolarHBondContact O-N 2.9Å; G206-T209 PolarHBondContact O-N 3.02Å; G206-F210 PolarHBondContact O-N 3.33Å
207L93.1Very high93.7Very high32 Ų3271.4 Ų71.417%0.16836%0.36CS..Hα-helixtrans-58.8-49.7175.4-82.8163.2000112.1L104 F203 L204 T209 F210 Y211L104-L207 HydrophobicContact CD1-CG 4.43Å; L104-L207 HydrophobicContact CD2-CD2 3.74Å; L104-L207 HydrophobicContact CD2-CG 4.27Å; F203-L207 HydrophobicContact CD1-CD1 3.91Å; F203-L207 HydrophobicContact CE1-CD1 3.47Å; F203-L207 VanDerWaalsContact CE1-CD1 3.47Å; F203-L207 HydrophobicContact CE1-CG 4.29Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CG 4.3Å; F203-L207 PolarHBondContact O-N 2.99Å; L204-L207 HydrophobicContact CD2-CD1 4.28Å; L204-L207 WeakPolarHBondContact O-CB 3.38Å; L204-L207 PolarHBondContact O-N 3.39Å; L207-T209 VanDerWaalsContact C-N 3.28Å; L207-T209 PolarHBondContact O-N 2.87Å; L207-F210 WeakPolarHBondContact O-CB 3.42Å; L207-F210 PolarHBondContact O-N 3.46Å; L207-Y211 HydrophobicContact CD2-CE2 4.28Å; L207-Y211 WeakPolarHBondContact O-CD2 3.29Å; L207-Y211 PolarHBondContact O-N 3.46Å
208F94.2Very high93.9Very high128 Ų12870.4 Ų70.456%0.56136%0.359SS*.Hα-helixtrans-63.5-34.5178.7-60.6-40.8000112.5L204 Y211 H212L204-F208 HydrophobicContact CB-CE2 4.17Å; L204-F208 WeakPolarHBondContact O-CD2 3.39Å; L204-F208 WeakPolarHBondContact O-CG 3.27Å; L204-F208 PolarHBondContact O-N 3.08Å; F208-Y211 PolarHBondContact O-N 3.37Å; F208-H212 WeakPolarHBondContact O-CB 3.35Å; F208-H212 PolarHBondContact O-N 3.16Å
209T93.6Very high93.9Very high76 Ų7670.9 Ų70.947%0.46636%0.362SS..Hα-helixtrans-64.8-43.1174.5-53.10000111.3Q205 G206 L207 H212 E213Q205-T209 PolarHBondContact NE2-OG1 3.45Å; Q205-T209 WeakPolarHBondContact O-CB 3.47Å; Q205-T209 PolarHBondContact O-N 2.99Å; Q205-T209 PolarHBondContact O-OG1 3.23Å; G206-T209 PolarHBondContact O-N 3.02Å; L207-T209 VanDerWaalsContact C-N 3.28Å; L207-T209 PolarHBondContact O-N 2.87Å; T209-H212 PolarHBondContact O-N 2.82Å; T209-E213 PolarHBondContact O-N 3.31Å
210F94.6Very high93.8Very high29 Ų2975.3 Ų75.313%0.12738%0.381CS..Hα-helixtrans-60.8-45.3174.3166.1-104.6000112.5V97 E100 R101 L104 G206 L207 H212 G214V97-F210 HydrophobicContact CG1-CE2 4.3Å; V97-F210 HydrophobicContact CG1-CZ 4.44Å; E100-F210 HydrophobicContact CB-CD2 3.79Å; E100-F210 HydrophobicContact CB-CE2 4.22Å; R101-F210 HydrophobicContact CB-CD2 4.1Å; R101-F210 HydrophobicContact CB-CE2 3.6Å; R101-F210 HydrophobicContact CB-CZ 4.11Å; R101-F210 HydrophobicContact CG-CD2 4.49Å; R101-F210 HydrophobicContact CG-CE2 4.08Å; R101-F210 HydrophobicContact CG-CZ 4.18Å; L104-F210 HydrophobicContact CD2-CB 4.01Å; L104-F210 HydrophobicContact CD2-CD1 4.33Å; L104-F210 HydrophobicContact CD2-CG 4.19Å; G206-F210 PolarHBondContact O-N 3.33Å; L207-F210 WeakPolarHBondContact O-CB 3.42Å; L207-F210 PolarHBondContact O-N 3.46Å; F210-H212 VanDerWaalsContact C-N 3.35Å; F210-H212 PolarHBondContact O-N 2.85Å; F210-G214 PolarHBondContact O-N 2.96Å
211Y94.3Very high93.9Very high154 Ų15473.6 Ų73.660%0.60437%0.372SS*.Hα-helixtrans-66.2-35.2177.6-74-65.3000112.9L207 F208 Y215L207-Y211 HydrophobicContact CD2-CE2 4.28Å; L207-Y211 WeakPolarHBondContact O-CD2 3.29Å; L207-Y211 PolarHBondContact O-N 3.46Å; F208-Y211 PolarHBondContact O-N 3.37Å; Y211-Y215 PolarHBondContact O-N 3Å; Y211-Y215 VanDerWaalsContact O-N 3.14Å
212H94.2Very high93.8Very high114 Ų11471 Ų7153%0.52836%0.356SS..Hα-helixtrans-64.5-51.5175.1-174.6-60.8000111.7F208 T209 F210 G214 Y215 E216F208-H212 WeakPolarHBondContact O-CB 3.35Å; F208-H212 PolarHBondContact O-N 3.16Å; T209-H212 PolarHBondContact O-N 2.82Å; F210-H212 VanDerWaalsContact C-N 3.35Å; F210-H212 PolarHBondContact O-N 2.85Å; H212-G214 VanDerWaalsContact C-N 3.26Å; H212-G214 PolarHBondContact O-N 3.29Å; H212-Y215 WeakPolarHBondContact O-CB 3.43Å; H212-Y215 PolarHBondContact O-N 3.46Å; H212-E216 IonicContact CE1-OE1 2.77Å; H212-E216 PolarHBondContact O-N 2.98Å
213E93.4Very high93.8Very high59 Ų5973 Ų7328%0.27637%0.366SS..Hα-helixtrans-64.3-34.4-179.7-162.371.4-177.300111.3E100 T209 Y215 E216 L217E100-E213 HydrophobicContact CG-CB 4.12Å; E100-E213 HydrophobicContact CG-CG 3.72Å; T209-E213 PolarHBondContact O-N 3.31Å; E213-Y215 VanDerWaalsContact C-N 3.31Å; E213-Y215 PolarHBondContact O-N 3.47Å; E213-E216 PolarHBondContact O-N 3.2Å; E213-L217 HydrophobicContact CG-CD1 4.37Å; E213-L217 WeakPolarHBondContact O-CB 3.39Å; E213-L217 VanDerWaalsContact O-CG 3.22Å; E213-L217 WeakPolarHBondContact O-CG 3.44Å; E213-L217 PolarHBondContact O-N 3.09Å
214G93.7Very high93.8Very high23 Ų2374.1 Ų74.124%0.23737%0.37CS..Hα-helixtrans-62.2-32.9171.500000114.3F210 H212 A218F210-G214 PolarHBondContact O-N 2.96Å; H212-G214 VanDerWaalsContact C-N 3.26Å; H212-G214 PolarHBondContact O-N 3.29Å; G214-A218 PolarHBondContact O-N 3.19Å
215Y95.3Very high93.8Very high148 Ų14874.1 Ų74.158%0.5837%0.366SS*.Hα-helixtrans-72-47173172.4-94.7000111.7Y211 H212 E213 L217 A218 H219Y211-Y215 PolarHBondContact O-N 3Å; Y211-Y215 VanDerWaalsContact O-N 3.14Å; H212-Y215 WeakPolarHBondContact O-CB 3.43Å; H212-Y215 PolarHBondContact O-N 3.46Å; E213-Y215 VanDerWaalsContact C-N 3.31Å; E213-Y215 PolarHBondContact O-N 3.47Å; Y215-L217 VanDerWaalsContact C-N 3.34Å; Y215-L217 PolarHBondContact O-N 3.46Å; Y215-A218 WeakPolarHBondContact O-CB 3.34Å; Y215-A218 PolarHBondContact O-N 3.03Å; Y215-A218 VanDerWaalsContact O-N 3.14Å; Y215-H219 PolarHBondContact O-N 3.38Å
216E95.4Very high93.7Very high80 Ų8073.9 Ų73.937%0.37437%0.365SS..Hα-helixtrans-59.9-43.1178.1-64.6-66.6116.200111.4H212 E213 A218 H219 E220H212-E216 IonicContact CE1-OE1 2.77Å; H212-E216 PolarHBondContact O-N 2.98Å; E213-E216 PolarHBondContact O-N 3.2Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 3.28Å; E216-H219 PolarHBondContact O-N 3.05Å; E216-E220 PolarHBondContact O-N 2.95Å
217L94.1Very high93.6Very high6 Ų677.2 Ų77.23%0.03137%0.374CS..Hα-helixtrans-63-36175.5-71.3169.4000112.9L93 T96 V97 E100 E213 Y215 F221L93-L217 HydrophobicContact CD1-CB 4.34Å; T96-L217 HydrophobicContact CG2-CD1 3.87Å; T96-L217 HydrophobicContact CG2-CD2 3.6Å; T96-L217 HydrophobicContact CG2-CG 4.42Å; V97-L217 HydrophobicContact CG2-CD1 3.95Å; E100-L217 HydrophobicContact CG-CD1 4.37Å; E213-L217 HydrophobicContact CG-CD1 4.37Å; E213-L217 WeakPolarHBondContact O-CB 3.39Å; E213-L217 VanDerWaalsContact O-CG 3.22Å; E213-L217 WeakPolarHBondContact O-CG 3.44Å; E213-L217 PolarHBondContact O-N 3.09Å; Y215-L217 VanDerWaalsContact C-N 3.34Å; Y215-L217 PolarHBondContact O-N 3.46Å; L217-F221 WeakPolarHBondContact O-CB 3.27Å; L217-F221 PolarHBondContact O-N 3.04Å
218A92.7Very high93.6Very high55 Ų5576.3 Ų76.346%0.45537%0.369SS..Hα-helixtrans-69.1-37.2174.500000111.7G214 Y215 E216 F221 E222G214-A218 PolarHBondContact O-N 3.19Å; Y215-A218 WeakPolarHBondContact O-CB 3.34Å; Y215-A218 PolarHBondContact O-N 3.03Å; Y215-A218 VanDerWaalsContact O-N 3.14Å; E216-A218 VanDerWaalsContact C-N 3.33Å; E216-A218 PolarHBondContact O-N 3.28Å; A218-F221 PolarHBondContact O-N 2.93Å; A218-E222 PolarHBondContact O-N 3.16Å
219H93.6Very high93.4Very high125 Ų12575.5 Ų75.558%0.57937%0.367SS*.Hα-helixtrans-70.2-41175.6-173-84.3000112.4Y215 E216 F221 E222Y215-H219 PolarHBondContact O-N 3.38Å; E216-H219 PolarHBondContact O-N 3.05Å; H219-F221 PolarHBondContact O-N 3.13Å; H219-E222 PolarHBondContact O-N 3.3Å
220E93Very high93.1Very high100 Ų10077.6 Ų77.647%0.46737%0.37SS..Hα-helixtrans-57.8-30171-77.3-173.6156.500112.2E216 R623E216-E220 PolarHBondContact O-N 2.95Å; E220-R623 VanDerWaalsContact CD-NH2 3.34Å; E220-R623 IonicContact OE1-NH2 2.59Å; E220-R623 PolarHBondContact OE1-NH2 3.05Å; E220-R623 IonicContact OE2-NH2 3.66Å; E220-R623 PolarHBondContact OE2-NH2 3.01Å
221F94.9Very high92.7Very high20 Ų2076.5 Ų76.59%0.08837%0.365CS..Hα-helixtrans-85.9-19.9-177.6-169.2-104.3000114.8F90 L93 L217 A218 H219 Y224 K225 L618F90-F221 HydrophobicContact CD1-CE1 4.32Å; F90-F221 AromaticContact CD1-CZ 3.69Å; F90-F221 HydrophobicContact CD1-CZ 3.69Å; F90-F221 HydrophobicContact CE1-CE1 4.2Å; F90-F221 AromaticContact CE1-CZ 3.79Å; F90-F221 HydrophobicContact CE1-CZ 3.79Å; L93-F221 HydrophobicContact CB-CD2 4.43Å; L93-F221 HydrophobicContact CB-CE2 4.45Å; L93-F221 HydrophobicContact CD1-CB 4.26Å; L93-F221 HydrophobicContact CD1-CD2 4.35Å; L93-F221 HydrophobicContact CD1-CG 4.4Å; L93-F221 HydrophobicContact CD2-CB 4.25Å; L93-F221 HydrophobicContact CD2-CD1 3.83Å; L93-F221 HydrophobicContact CD2-CD2 3.89Å; L93-F221 HydrophobicContact CD2-CE1 4.09Å; L93-F221 HydrophobicContact CD2-CE2 4.15Å; L93-F221 HydrophobicContact CD2-CG 3.72Å; L93-F221 HydrophobicContact CD2-CZ 4.24Å; L93-F221 HydrophobicContact CG-CD2 4.45Å; L217-F221 WeakPolarHBondContact O-CB 3.27Å; L217-F221 PolarHBondContact O-N 3.04Å; A218-F221 PolarHBondContact O-N 2.93Å; H219-F221 PolarHBondContact O-N 3.13Å; F221-Y224 HydrophobicContact CD2-CD1 4.25Å; F221-Y224 HydrophobicContact CE1-CD1 4.19Å; F221-Y224 AromaticContact CE2-CD1 3.46Å; F221-Y224 HydrophobicContact CE2-CD1 3.46Å; F221-Y224 VanDerWaalsContact CE2-CD1 3.46Å; F221-Y224 HydrophobicContact CE2-CE1 4.02Å; F221-Y224 HydrophobicContact CE2-CG 4.28Å; F221-Y224 AromaticContact CZ-CD1 3.42Å; F221-Y224 HydrophobicContact CZ-CD1 3.42Å; F221-Y224 VanDerWaalsContact CZ-CD1 3.42Å; F221-Y224 AromaticContact CZ-CE1 3.82Å; F221-Y224 HydrophobicContact CZ-CE1 3.82Å; F221-Y224 PolarHBondContact O-N 3.02Å; F221-Y224 VanDerWaalsContact O-N 3.13Å; F221-K225 HydrophobicContact CD1-CB 4.15Å; F221-K225 HydrophobicContact CE1-CB 4.09Å; F221-K225 PolarHBondContact O-N 2.88Å; F221-K225 VanDerWaalsContact O-N 3.09Å; F221-L618 HydrophobicContact CD2-CD1 4.49Å
222E92.8Very high92.4Very high59 Ų5972.1 Ų72.128%0.27635%0.352SS..Hα-helixtrans-56-42.1-172-176.358-147.400114.6A218 H219 Y224 K225 Q226A218-E222 PolarHBondContact O-N 3.16Å; H219-E222 PolarHBondContact O-N 3.3Å; E222-Y224 VanDerWaalsContact C-N 3.33Å; E222-Y224 PolarHBondContact O-N 3.36Å; E222-K225 WeakPolarHBondContact O-CB 3.44Å; E222-K225 PolarHBondContact O-N 2.98Å; E222-K225 IonicContact OE1-NZ 3.57Å; E222-K225 PolarHBondContact OE1-NZ 3.19Å; E222-K225 WeakPolarHBondContact OE2-CD 3.43Å; E222-K225 IonicContact OE2-NZ 2.76Å; E222-K225 PolarHBondContact OE2-NZ 2.99Å; E222-Q226 WeakPolarHBondContact O-CG 3.24Å; E222-Q226 PolarHBondContact O-N 3.12Å; E222-Q226 WeakPolarHBondContact OE1-CG 3.46Å; E222-Q226 PolarHBondContact OE1-NE2 2.9Å
223P93.6Very high92.1Very high87 Ų8770.4 Ų70.457%0.56534%0.344SS*.Hα-helixtrans-63.5-36.5177.9-22.434.5000113.3Q226 Q227P223-Q226 PolarHBondContact O-N 3.17Å; P223-Q227 PolarHBondContact O-N 3.35Å; P223-Q227 VanDerWaalsContact O-N 3.1Å
224Y94.1Very high91.6Very high42 Ų4268.7 Ų68.717%0.16534%0.337CS..Hα-helixtrans-68.2-42.1175.8175-91000111.1S86 E89 F221 E222 Q226 Q227 L228S86-Y224 VanDerWaalsContact CA-OH 3.31Å; S86-Y224 WeakPolarHBondContact CA-OH 3.39Å; S86-Y224 WeakPolarHBondContact CB-OH 3.5Å; E89-Y224 HydrophobicContact CB-CE1 4.02Å; E89-Y224 HydrophobicContact CG-CE2 4.2Å; F221-Y224 HydrophobicContact CD2-CD1 4.25Å; F221-Y224 HydrophobicContact CE1-CD1 4.19Å; F221-Y224 AromaticContact CE2-CD1 3.46Å; F221-Y224 HydrophobicContact CE2-CD1 3.46Å; F221-Y224 VanDerWaalsContact CE2-CD1 3.46Å; F221-Y224 HydrophobicContact CE2-CE1 4.02Å; F221-Y224 HydrophobicContact CE2-CG 4.28Å; F221-Y224 AromaticContact CZ-CD1 3.42Å; F221-Y224 HydrophobicContact CZ-CD1 3.42Å; F221-Y224 VanDerWaalsContact CZ-CD1 3.42Å; F221-Y224 AromaticContact CZ-CE1 3.82Å; F221-Y224 HydrophobicContact CZ-CE1 3.82Å; F221-Y224 PolarHBondContact O-N 3.02Å; F221-Y224 VanDerWaalsContact O-N 3.13Å; E222-Y224 VanDerWaalsContact C-N 3.33Å; E222-Y224 PolarHBondContact O-N 3.36Å; Y224-Q226 VanDerWaalsContact C-N 3.32Å; Y224-Q226 PolarHBondContact O-N 3.06Å; Y224-Q227 PolarHBondContact O-N 3.36Å; Y224-L228 HydrophobicContact CE1-CB 4.41Å; Y224-L228 HydrophobicContact CE1-CD2 3.99Å; Y224-L228 WeakPolarHBondContact O-CB 3.42Å; Y224-L228 PolarHBondContact O-N 2.66Å
225K92.8Very high91.2Very high80 Ų8069.6 Ų69.635%0.34834%0.338SS..Hα-helixtrans-56.5-44.3173.7157.1169.7163.2-83.50111.9F221 E222 L228 Q229F221-K225 HydrophobicContact CD1-CB 4.15Å; F221-K225 HydrophobicContact CE1-CB 4.09Å; F221-K225 PolarHBondContact O-N 2.88Å; F221-K225 VanDerWaalsContact O-N 3.09Å; E222-K225 WeakPolarHBondContact O-CB 3.44Å; E222-K225 PolarHBondContact O-N 2.98Å; E222-K225 IonicContact OE1-NZ 3.57Å; E222-K225 PolarHBondContact OE1-NZ 3.19Å; E222-K225 WeakPolarHBondContact OE2-CD 3.43Å; E222-K225 IonicContact OE2-NZ 2.76Å; E222-K225 PolarHBondContact OE2-NZ 2.99Å; K225-L228 PolarHBondContact O-N 3.37Å; K225-Q229 WeakPolarHBondContact O-CG 3.13Å; K225-Q229 PolarHBondContact O-N 3.17Å
226Q92.3Very high90.8Very high109 Ų10969.3 Ų69.351%0.50934%0.336SS..Hα-helixtrans-65.8-44.2178.3-69.11751200112.2E222 P223 Y224 L228 Q229 F230E222-Q226 WeakPolarHBondContact O-CG 3.24Å; E222-Q226 PolarHBondContact O-N 3.12Å; E222-Q226 WeakPolarHBondContact OE1-CG 3.46Å; E222-Q226 PolarHBondContact OE1-NE2 2.9Å; P223-Q226 PolarHBondContact O-N 3.17Å; Y224-Q226 VanDerWaalsContact C-N 3.32Å; Y224-Q226 PolarHBondContact O-N 3.06Å; Q226-L228 PolarHBondContact O-N 3.1Å; Q226-Q229 PolarHBondContact O-N 3.34Å; Q226-F230 PolarHBondContact O-N 3.4Å; Q226-F230 VanDerWaalsContact O-N 3.09Å
227Q90.3Very high90.3Very high96 Ų9668.7 Ų68.745%0.44934%0.335SS..Hα-helixtrans-61.2-43.9174.8-173.763.863.200111.8P223 Y224 Q229 F230 N231P223-Q227 PolarHBondContact O-N 3.35Å; P223-Q227 VanDerWaalsContact O-N 3.1Å; Y224-Q227 PolarHBondContact O-N 3.36Å; Q227-Q229 VanDerWaalsContact C-N 3.34Å; Q227-Q229 PolarHBondContact O-N 3.29Å; Q227-F230 WeakPolarHBondContact O-CB 3.19Å; Q227-F230 PolarHBondContact O-N 2.66Å; Q227-N231 PolarHBondContact NE2-OD1 3Å; Q227-N231 PolarHBondContact O-N 3.07Å; Q227-N231 PolarHBondContact O-OD1 3.44Å
228L92.3Very high89.8Confident13 Ų1369.9 Ų69.97%0.06834%0.341CS..Hα-helixtrans-64.6-37.6178.4-177.261.4000112.1I83 F90 Y224 K225 Q226 F230 N231 L232I83-L228 HydrophobicContact CG1-CD1 3.99Å; F90-L228 HydrophobicContact CE1-CD2 4.01Å; F90-L228 HydrophobicContact CE2-CD2 4.41Å; F90-L228 HydrophobicContact CZ-CD2 3.5Å; Y224-L228 HydrophobicContact CE1-CB 4.41Å; Y224-L228 HydrophobicContact CE1-CD2 3.99Å; Y224-L228 WeakPolarHBondContact O-CB 3.42Å; Y224-L228 PolarHBondContact O-N 2.66Å; K225-L228 PolarHBondContact O-N 3.37Å; Q226-L228 PolarHBondContact O-N 3.1Å; L228-F230 VanDerWaalsContact C-N 3.35Å; L228-N231 PolarHBondContact O-N 3.42Å; L228-L232 HydrophobicContact CD1-CD1 4.47Å; L228-L232 HydrophobicContact CD1-CG 4.42Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 WeakPolarHBondContact O-CB 3.31Å; L228-L232 WeakPolarHBondContact O-CD1 3.26Å; L228-L232 VanDerWaalsContact O-CG 3.23Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 3.04Å
229Q90.8Very high89.4Confident110 Ų11073.4 Ų73.451%0.51435%0.347SS..Hα-helixtrans-61.9-40.1173.1-76.4175.9-36.100112.3K225 Q226 Q227 Q233K225-Q229 WeakPolarHBondContact O-CG 3.13Å; K225-Q229 PolarHBondContact O-N 3.17Å; Q226-Q229 PolarHBondContact O-N 3.34Å; Q227-Q229 VanDerWaalsContact C-N 3.34Å; Q227-Q229 PolarHBondContact O-N 3.29Å; Q229-Q233 PolarHBondContact O-N 3.19Å; Q229-Q233 VanDerWaalsContact O-N 3.13Å
230F86.4Confident88.9Confident120 Ų12071.2 Ų71.253%0.52634%0.342SS..Hα-helixtrans-63.7-51.4174.6179.1-102.5000111.8Q226 Q227 L228 L232 Q233 N234Q226-F230 PolarHBondContact O-N 3.4Å; Q226-F230 VanDerWaalsContact O-N 3.09Å; Q227-F230 WeakPolarHBondContact O-CB 3.19Å; Q227-F230 PolarHBondContact O-N 2.66Å; L228-F230 VanDerWaalsContact C-N 3.35Å; F230-L232 VanDerWaalsContact C-N 3.34Å; F230-L232 PolarHBondContact O-N 3.21Å; F230-Q233 PolarHBondContact O-N 3.44Å; F230-N234 WeakPolarHBondContact CE1-ND2 3.46Å; F230-N234 PolarHBondContact O-N 3.15Å
231N87.5Confident88.2Confident7 Ų768 Ų684%0.03733%0.331CS..Hα-helixtrans-57.6-45.8178.3-66.225.7000111.4D79 I83 Q227 L228 Q233 N234 T235D79-N231 HydrophobicContact CB-CB 4.41Å; D79-N231 VanDerWaalsContact OD1-CB 3.31Å; D79-N231 WeakPolarHBondContact OD1-CB 3.39Å; D79-N231 PolarHBondContact OD1-ND2 3.39Å; I83-N231 HydrophobicContact CD1-CB 4.47Å; Q227-N231 PolarHBondContact NE2-OD1 3Å; Q227-N231 PolarHBondContact O-N 3.07Å; Q227-N231 PolarHBondContact O-OD1 3.44Å; L228-N231 PolarHBondContact O-N 3.42Å; N231-Q233 VanDerWaalsContact C-N 3.26Å; N231-Q233 PolarHBondContact O-N 2.77Å; N231-N234 WeakPolarHBondContact O-CB 3.35Å; N231-N234 PolarHBondContact O-N 3.43Å; N231-N234 VanDerWaalsContact O-N 3.16Å; N231-T235 PolarHBondContact O-N 3.01Å; N231-T235 PolarHBondContact O-OG1 3.47Å
232L88.3Confident87.5Confident62 Ų6268.7 Ų68.733%0.32534%0.336SS..Hα-helixtrans-57.8-37.5175.4-77.1166.9000112.4I83 L228 F230 R236I83-L232 HydrophobicContact CD1-CD2 3.87Å; I83-L232 HydrophobicContact CD1-CG 4.26Å; I83-L232 HydrophobicContact CG1-CD2 3.99Å; I83-L232 HydrophobicContact CG1-CG 4.25Å; I83-L232 HydrophobicContact CG2-CD2 4.17Å; L228-L232 HydrophobicContact CD1-CD1 4.47Å; L228-L232 HydrophobicContact CD1-CG 4.42Å; L228-L232 HydrophobicContact CG-CD1 4.08Å; L228-L232 WeakPolarHBondContact O-CB 3.31Å; L228-L232 WeakPolarHBondContact O-CD1 3.26Å; L228-L232 VanDerWaalsContact O-CG 3.23Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 3.04Å; F230-L232 VanDerWaalsContact C-N 3.34Å; F230-L232 PolarHBondContact O-N 3.21Å; L232-R236 WeakPolarHBondContact O-CG 3.48Å; L232-R236 PolarHBondContact O-N 3.34Å
233Q87Confident87.1Confident78 Ų7870.6 Ų70.636%0.36434%0.344SS..Hα-helixtrans-72.9-36.4177.5-167.355.24100112.4Q229 F230 N231 R236 N237Q229-Q233 PolarHBondContact O-N 3.19Å; Q229-Q233 VanDerWaalsContact O-N 3.13Å; F230-Q233 PolarHBondContact O-N 3.44Å; N231-Q233 VanDerWaalsContact C-N 3.26Å; N231-Q233 PolarHBondContact O-N 2.77Å; Q233-R236 PolarHBondContact O-N 3.11Å; Q233-N237 PolarHBondContact NE2-OD1 2.99Å; Q233-N237 WeakPolarHBondContact O-CB 3.25Å; Q233-N237 PolarHBondContact O-N 3.33Å; Q233-N237 PolarHBondContact O-ND2 3.47Å; Q233-N237 PolarHBondContact O-OD1 2.83Å
234N83.4Confident86.5Confident22 Ų2271.2 Ų71.212%0.11834%0.339CS..Hα-helixtrans-61.5-45.1171.4-65.4-17.4000111.3D79 F230 N231 R236 N237 N238D79-N234 WeakPolarHBondContact OD2-CB 3.33Å; F230-N234 WeakPolarHBondContact CE1-ND2 3.46Å; F230-N234 PolarHBondContact O-N 3.15Å; N231-N234 WeakPolarHBondContact O-CB 3.35Å; N231-N234 PolarHBondContact O-N 3.43Å; N231-N234 VanDerWaalsContact O-N 3.16Å; N234-R236 VanDerWaalsContact C-N 3.35Å; N234-R236 PolarHBondContact O-N 3.1Å; N234-N237 PolarHBondContact O-N 3.17Å; N234-N238 WeakPolarHBondContact O-CB 3.14Å; N234-N238 PolarHBondContact O-N 3.09Å; N234-N238 PolarHBondContact O-ND2 3.49Å; N234-N238 VanDerWaalsContact O-ND2 3.15Å
235T84.8Confident85.6Confident43 Ų4372 Ų7226%0.26435%0.345SS..Hα-helixtrans-60.7-41.7175.8-47.50000111.9I83 N231 N238 F239I83-T235 WeakPolarHBondContact CD1-OG1 3.39Å; N231-T235 PolarHBondContact O-N 3.01Å; N231-T235 PolarHBondContact O-OG1 3.47Å; T235-N238 PolarHBondContact O-N 3.31Å; T235-F239 WeakPolarHBondContact O-CB 3.33Å; T235-F239 PolarHBondContact O-N 3.42Å
236R86.9Confident85Confident142 Ų14270.8 Ų70.854%0.53634%0.343SS..Hα-helixtrans-61.5-45.8173.3-72.6169.8-173.7152.2-0.3112.5L232 Q233 N234 N238 F239 V240L232-R236 WeakPolarHBondContact O-CG 3.48Å; L232-R236 PolarHBondContact O-N 3.34Å; Q233-R236 PolarHBondContact O-N 3.11Å; N234-R236 VanDerWaalsContact C-N 3.35Å; N234-R236 PolarHBondContact O-N 3.1Å; R236-N238 PolarHBondContact O-N 2.77Å; R236-F239 PolarHBondContact O-N 2.81Å; R236-V240 WeakPolarHBondContact O-CG2 3.4Å; R236-V240 PolarHBondContact O-N 2.9Å
237N84.9Confident84.7Confident66 Ų6669.5 Ų69.535%0.35334%0.338SS..Hα-helixtrans-61.1-45.4178.8-65.4-17.5000110.9Q233 N234 V240 S241Q233-N237 PolarHBondContact NE2-OD1 2.99Å; Q233-N237 WeakPolarHBondContact O-CB 3.25Å; Q233-N237 PolarHBondContact O-N 3.33Å; Q233-N237 PolarHBondContact O-ND2 3.47Å; Q233-N237 PolarHBondContact O-OD1 2.83Å; N234-N237 PolarHBondContact O-N 3.17Å; N237-V240 PolarHBondContact O-N 3.15Å; N237-S241 PolarHBondContact O-N 3.02Å; N237-S241 VanDerWaalsContact O-N 3.08Å
238N82.9Confident84.2Confident31 Ų3169.2 Ų69.217%0.16634%0.335CS..Hα-helixtrans-62.5-40.7175.3-79.4-46.7000112.3N234 T235 R236 T242 N577N234-N238 WeakPolarHBondContact O-CB 3.14Å; N234-N238 PolarHBondContact O-N 3.09Å; N234-N238 PolarHBondContact O-ND2 3.49Å; N234-N238 VanDerWaalsContact O-ND2 3.15Å; T235-N238 PolarHBondContact O-N 3.31Å; R236-N238 PolarHBondContact O-N 2.77Å; N238-T242 WeakPolarHBondContact O-CB 3.43Å; N238-T242 PolarHBondContact O-N 3.23Å; N238-T242 PolarHBondContact O-OG1 3.23Å; N238-N577 PolarHBondContact OD1-ND2 3.5Å; N238-N577 VanDerWaalsContact OD1-ND2 3.16Å
239F85.1Confident83.5Confident130 Ų13068.9 Ų68.957%0.5733%0.333SS*.Hα-helixtrans-60.9-48.7173.8167.1-103.4000112.1T235 R236 S241 T242 K243T235-F239 WeakPolarHBondContact O-CB 3.33Å; T235-F239 PolarHBondContact O-N 3.42Å; R236-F239 PolarHBondContact O-N 2.81Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-S241 PolarHBondContact O-N 3.24Å; F239-T242 PolarHBondContact O-N 2.85Å; F239-K243 HydrophobicContact CE1-CD 4.37Å; F239-K243 HydrophobicContact CZ-CD 4.08Å; F239-K243 VanDerWaalsContact O-CB 3.26Å; F239-K243 WeakPolarHBondContact O-CB 3.41Å; F239-K243 PolarHBondContact O-N 3.15Å
240V83.8Confident82.9Confident78 Ų7868 Ų6847%0.47333%0.33SS..Hα-helixtrans-61.1-42.4-179.8172.20000111.2R236 N237 Q244R236-V240 WeakPolarHBondContact O-CG2 3.4Å; R236-V240 PolarHBondContact O-N 2.9Å; N237-V240 PolarHBondContact O-N 3.15Å; V240-Q244 PolarHBondContact O-N 3.29Å
241S77.8Confident82.7Confident34 Ų3466.1 Ų66.124%0.23833%0.326CS..Hα-helixtrans-64.3-48.2175.8-1680000112N237 F239 K243 Q244 E245N237-S241 PolarHBondContact O-N 3.02Å; N237-S241 VanDerWaalsContact O-N 3.08Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-S241 PolarHBondContact O-N 3.24Å; S241-K243 PolarHBondContact O-N 3.38Å; S241-Q244 PolarHBondContact O-N 3.13Å; S241-E245 PolarHBondContact O-N 3.1Å
242T78.9Confident82.2Confident33 Ų3371 Ų7120%0.20234%0.343CS..Hα-helixtrans-65.4-39.7-178.6-52.90000111.7N238 F239 Q244 E245 V246N238-T242 WeakPolarHBondContact O-CB 3.43Å; N238-T242 PolarHBondContact O-N 3.23Å; N238-T242 PolarHBondContact O-OG1 3.23Å; F239-T242 PolarHBondContact O-N 2.85Å; T242-Q244 VanDerWaalsContact C-N 3.34Å; T242-Q244 PolarHBondContact O-N 3.45Å; T242-E245 PolarHBondContact O-N 2.75Å; T242-V246 HydrophobicContact CG2-CG2 4.29Å; T242-V246 WeakPolarHBondContact O-CG2 3.44Å; T242-V246 PolarHBondContact O-N 2.8Å
243K85.4Confident81.6Confident100 Ų10072.4 Ų72.444%0.43535%0.35SS..Hα-helixtrans-55.9-46.8175.7177-179.8169.5-177.90111.5F239 S241 E245 V246 E247F239-K243 HydrophobicContact CE1-CD 4.37Å; F239-K243 HydrophobicContact CZ-CD 4.08Å; F239-K243 VanDerWaalsContact O-CB 3.26Å; F239-K243 WeakPolarHBondContact O-CB 3.41Å; F239-K243 PolarHBondContact O-N 3.15Å; S241-K243 PolarHBondContact O-N 3.38Å; K243-E245 VanDerWaalsContact C-N 3.33Å; K243-E245 PolarHBondContact O-N 3.49Å; K243-V246 PolarHBondContact O-N 3.24Å; K243-E247 VanDerWaalsContact CE-CD 3.48Å; K243-E247 WeakPolarHBondContact CE-OE1 3.16Å; K243-E247 HydrophobicContact CG-CG 4.36Å; K243-E247 IonicContact NZ-OE1 2.71Å; K243-E247 WeakPolarHBondContact O-CB 3.39Å; K243-E247 WeakPolarHBondContact O-CG 3.26Å; K243-E247 PolarHBondContact O-N 3.35Å
244Q80.3Confident81Confident100 Ų10077 Ų7747%0.46736%0.364SS..Hα-helixtrans-63.1-37.3-180-70.4-176.516.900112.6V240 S241 T242 K248V240-Q244 PolarHBondContact O-N 3.29Å; S241-Q244 PolarHBondContact O-N 3.13Å; T242-Q244 VanDerWaalsContact C-N 3.34Å; T242-Q244 PolarHBondContact O-N 3.45Å; Q244-K248 WeakPolarHBondContact O-CD 3.34Å; Q244-K248 WeakPolarHBondContact O-CE 3.18Å; Q244-K248 WeakPolarHBondContact O-CG 3.36Å; Q244-K248 PolarHBondContact O-N 2.71Å
245E76.6Confident80.5Confident59 Ų5980.7 Ų80.728%0.27639%0.391SS..Hα-helixtrans-72.2-38175.8-63.2-51.3136.200112.1S241 T242 K243 K248 L249 M570 I573S241-E245 PolarHBondContact O-N 3.1Å; T242-E245 PolarHBondContact O-N 2.75Å; K243-E245 VanDerWaalsContact C-N 3.33Å; K243-E245 PolarHBondContact O-N 3.49Å; E245-K248 PolarHBondContact O-N 2.93Å; E245-K248 IonicContact OE1-NZ 3.2Å; E245-K248 PolarHBondContact OE1-NZ 3.43Å; E245-K248 WeakPolarHBondContact OE2-CD 3.49Å; E245-K248 IonicContact OE2-NZ 3.77Å; E245-L249 WeakPolarHBondContact O-CB 3.38Å; E245-L249 PolarHBondContact O-N 3.38Å; E245-M570 VanDerWaalsContact C-SD 3.59Å; E245-M570 HydrophobicContact CB-CE 3.94Å; E245-M570 HydrophobicContact CB-SD 4.13Å; E245-M570 WeakPolarHBondContact O-CE 3.32Å; E245-I573 HydrophobicContact CB-CD1 4.36Å; E245-I573 HydrophobicContact CG-CD1 4.49Å
246V79.8Confident79.6Confident53 Ų5380.5 Ų80.532%0.32140%0.395SS..Hα-helixtrans-65-39173.9171.70000111.7T242 K243 L249 M250 M570T242-V246 HydrophobicContact CG2-CG2 4.29Å; T242-V246 WeakPolarHBondContact O-CG2 3.44Å; T242-V246 PolarHBondContact O-N 2.8Å; K243-V246 PolarHBondContact O-N 3.24Å; V246-L249 PolarHBondContact O-N 3.14Å; V246-M250 WeakPolarHBondContact O-CB 3.39Å; V246-M250 PolarHBondContact O-N 3.5Å; V246-M570 HydrophobicContact CG2-CB 4.26Å; V246-M570 HydrophobicContact CG2-SD 3.95Å
247E84.8Confident78.1Confident83 Ų8380.6 Ų80.639%0.38841%0.406SS..Hα-helixtrans-66.1-40.6173.7-74.5174.2156.900111.8K243 M250 N251K243-E247 VanDerWaalsContact CE-CD 3.48Å; K243-E247 WeakPolarHBondContact CE-OE1 3.16Å; K243-E247 HydrophobicContact CG-CG 4.36Å; K243-E247 IonicContact NZ-OE1 2.71Å; K243-E247 WeakPolarHBondContact O-CB 3.39Å; K243-E247 WeakPolarHBondContact O-CG 3.26Å; K243-E247 PolarHBondContact O-N 3.35Å; E247-M250 PolarHBondContact O-N 3.32Å; E247-N251 WeakPolarHBondContact O-CB 3.37Å; E247-N251 VanDerWaalsContact O-CG 3.31Å; E247-N251 PolarHBondContact O-N 3.32Å; E247-N251 PolarHBondContact O-ND2 3.45Å
248K80.2Confident76.7Confident90 Ų9086.9 Ų86.939%0.39143%0.433SS..Hα-helixtrans-61.7-43.2171.3-70.6161.5-156.51690111.3Q244 E245 N251 R252Q244-K248 WeakPolarHBondContact O-CD 3.34Å; Q244-K248 WeakPolarHBondContact O-CE 3.18Å; Q244-K248 WeakPolarHBondContact O-CG 3.36Å; Q244-K248 PolarHBondContact O-N 2.71Å; E245-K248 PolarHBondContact O-N 2.93Å; E245-K248 IonicContact OE1-NZ 3.2Å; E245-K248 PolarHBondContact OE1-NZ 3.43Å; E245-K248 WeakPolarHBondContact OE2-CD 3.49Å; E245-K248 IonicContact OE2-NZ 3.77Å; K248-N251 PolarHBondContact O-N 3.1Å; K248-R252 WeakPolarHBondContact O-CB 3.23Å; K248-R252 VanDerWaalsContact O-CG 3.32Å; K248-R252 WeakPolarHBondContact O-CG 3.41Å; K248-R252 PolarHBondContact O-N 3.42Å
249L77Confident75.3Confident5 Ų590.8 Ų90.83%0.02645%0.454CS..Hα-helixtrans-63.8-46.9177.1-178.662.7000111.9E245 V246 N251 R252 I253 E565 M570E245-L249 WeakPolarHBondContact O-CB 3.38Å; E245-L249 PolarHBondContact O-N 3.38Å; V246-L249 PolarHBondContact O-N 3.14Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.65Å; L249-R252 PolarHBondContact O-N 3.32Å; L249-I253 HydrophobicContact CD1-CD1 3.8Å; L249-I253 HydrophobicContact CD1-CG1 4.01Å; L249-I253 HydrophobicContact CD2-CD1 4.38Å; L249-I253 HydrophobicContact CG-CD1 3.78Å; L249-I253 HydrophobicContact CG-CG1 4.34Å; L249-I253 WeakPolarHBondContact O-CB 3.4Å; L249-I253 WeakPolarHBondContact O-CG1 3.5Å; L249-I253 PolarHBondContact O-N 3.31Å; L249-E565 HydrophobicContact CD1-CB 3.99Å; L249-M570 HydrophobicContact CB-CE 3.74Å; L249-M570 HydrophobicContact CB-SD 3.77Å; L249-M570 HydrophobicContact CD2-CE 4.12Å; L249-M570 HydrophobicContact CD2-CG 4.3Å; L249-M570 HydrophobicContact CD2-SD 3.64Å; L249-M570 HydrophobicContact CG-CE 4.36Å; L249-M570 HydrophobicContact CG-SD 4.31Å
250M79.1Confident73.6Confident91 Ų9189.7 Ų89.745%0.44845%0.447SS..Hα-helixtrans-55.3-44.8175.4177.9-172.361.800111.2V246 E247 R254V246-M250 WeakPolarHBondContact O-CB 3.39Å; V246-M250 PolarHBondContact O-N 3.5Å; E247-M250 PolarHBondContact O-N 3.32Å; M250-R254 VanDerWaalsContact O-CB 3.29Å; M250-R254 WeakPolarHBondContact O-CB 2.9Å; M250-R254 PolarHBondContact O-N 2.98Å; M250-R254 PolarHBondContact SD-NH2 3.49Å; M250-R254 VanDerWaalsContact SD-NH2 3.4Å
251N81.9Confident72.3Confident82 Ų8290.6 Ų90.644%0.43944%0.444SS..Hα-helixtrans-69-41.2178.7-70.8-29.3000111.9E247 K248 L249 R254 S255E247-N251 WeakPolarHBondContact O-CB 3.37Å; E247-N251 VanDerWaalsContact O-CG 3.31Å; E247-N251 PolarHBondContact O-N 3.32Å; E247-N251 PolarHBondContact O-ND2 3.45Å; K248-N251 PolarHBondContact O-N 3.1Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.65Å; N251-R254 PolarHBondContact O-N 2.7Å; N251-S255 PolarHBondContact O-N 2.98Å; N251-S255 PolarHBondContact O-OG 3.39Å; N251-S255 VanDerWaalsContact O-OG 3.11Å
252R77.9Confident71.2Confident109 Ų10992.6 Ų92.641%0.41146%0.456SS..Hα-helixtrans-62-46.6175.6-74.3-167.9-57.4143.6-0.4112.4K248 L249 R254 S255 A256 E565K248-R252 WeakPolarHBondContact O-CB 3.23Å; K248-R252 VanDerWaalsContact O-CG 3.32Å; K248-R252 WeakPolarHBondContact O-CG 3.41Å; K248-R252 PolarHBondContact O-N 3.42Å; L249-R252 PolarHBondContact O-N 3.32Å; R252-R254 VanDerWaalsContact C-N 3.3Å; R252-R254 PolarHBondContact O-N 3.42Å; R252-S255 WeakPolarHBondContact CA-OG 3.25Å; R252-S255 CarbonylContact O-C 3.58Å; R252-S255 PolarHBondContact O-N 3.42Å; R252-S255 VanDerWaalsContact O-N 3.15Å; R252-S255 PolarHBondContact O-OG 3.05Å; R252-A256 PolarHBondContact O-N 3.09Å; R252-E565 IonicContact CZ-OE1 3.73Å; R252-E565 IonicContact CZ-OE2 3.61Å; R252-E565 IonicContact NH1-OE1 2.83Å; R252-E565 PolarHBondContact NH1-OE1 3.25Å; R252-E565 IonicContact NH1-OE2 3.92Å; R252-E565 PolarHBondContact NH1-OE2 2.9Å; R252-E565 VanDerWaalsContact NH2-CD 3.31Å; R252-E565 IonicContact NH2-OE1 3.17Å; R252-E565 PolarHBondContact NH2-OE1 2.94Å; R252-E565 IonicContact NH2-OE2 2.62Å; R252-E565 PolarHBondContact NH2-OE2 2.93Å
253I74.4Confident69.9Low92 Ų9294.7 Ų94.747%0.47247%0.471SS..Hα-helixtrans-62.2-38.2175.4-67.8173.8000110.8L249 S255 A256L249-I253 HydrophobicContact CD1-CD1 3.8Å; L249-I253 HydrophobicContact CD1-CG1 4.01Å; L249-I253 HydrophobicContact CD2-CD1 4.38Å; L249-I253 HydrophobicContact CG-CD1 3.78Å; L249-I253 HydrophobicContact CG-CG1 4.34Å; L249-I253 WeakPolarHBondContact O-CB 3.4Å; L249-I253 WeakPolarHBondContact O-CG1 3.5Å; L249-I253 PolarHBondContact O-N 3.31Å; I253-S255 VanDerWaalsContact C-N 3.31Å; I253-S255 PolarHBondContact O-N 3Å; I253-A256 PolarHBondContact O-N 3.23Å
254R75.9Confident68.6Low175 Ų17591.9 Ų91.966%0.6647%0.47SS*.Hα-helixtrans-67.4-29.7175.5-169.7-174.1-59.5172.33113.1M250 N251 R252M250-R254 VanDerWaalsContact O-CB 3.29Å; M250-R254 WeakPolarHBondContact O-CB 2.9Å; M250-R254 PolarHBondContact O-N 2.98Å; M250-R254 PolarHBondContact SD-NH2 3.49Å; M250-R254 VanDerWaalsContact SD-NH2 3.4Å; N251-R254 PolarHBondContact O-N 2.7Å; R252-R254 VanDerWaalsContact C-N 3.3Å; R252-R254 PolarHBondContact O-N 3.42Å
255S72.3Confident67.9Low98 Ų9895.1 Ų95.169%0.68549%0.485SS*.Hα-helixtrans-90.9-4.4176.460.30000114.6N251 R252 I253N251-S255 PolarHBondContact O-N 2.98Å; N251-S255 PolarHBondContact O-OG 3.39Å; N251-S255 VanDerWaalsContact O-OG 3.11Å; R252-S255 WeakPolarHBondContact CA-OG 3.25Å; R252-S255 CarbonylContact O-C 3.58Å; R252-S255 PolarHBondContact O-N 3.42Å; R252-S255 VanDerWaalsContact O-N 3.15Å; R252-S255 PolarHBondContact O-OG 3.05Å; I253-S255 VanDerWaalsContact C-N 3.31Å; I253-S255 PolarHBondContact O-N 3Å
256A64.9Low67.8Low40 Ų4096.9 Ų96.933%0.33149%0.489SS..SBendtrans-80135179.700000110.4R252 I253 Y260R252-A256 PolarHBondContact O-N 3.09Å; I253-A256 PolarHBondContact O-N 3.23Å; A256-Y260 HydrophobicContact CB-CD1 4.45Å; A256-Y260 HydrophobicContact CB-CG 4.02Å
257D56.8Low68Low143 Ų14397.4 Ų97.477%0.76549%0.493SS*.  trans-62.4158.4174-103.6-48.3000112D259 Y260D257-D259 PolarHBondContact O-N 3.4Å; D257-Y260 WeakPolarHBondContact O-CB 3.36Å; D257-Y260 PolarHBondContact O-N 2.92Å
258Q55.3Low68Low198 Ų19894.4 Ų94.493%0.92548%0.479SS*.THydrogen-bonded Turntrans-62.5-11.9-172.9-64.5-173.41500114.9
259D52.4Low68.4Low114 Ų11493.3 Ų93.361%0.6148%0.475SS*.THydrogen-bonded Turntrans-88.90.1174.9-67.1-50000113.6D257 K261D257-D259 PolarHBondContact O-N 3.4Å; D259-K261 PolarHBondContact O-N 2.78Å
260Y51Low68.9Low106 Ų10693.8 Ų93.842%0.41648%0.481SS..  trans-67100.5172.4-177.4-95.5000111.4A256 D257 E565A256-Y260 HydrophobicContact CB-CD1 4.45Å; A256-Y260 HydrophobicContact CB-CG 4.02Å; D257-Y260 WeakPolarHBondContact O-CB 3.36Å; D257-Y260 PolarHBondContact O-N 2.92Å; Y260-E565 PolarHBondContact OH-OE2 3.04Å
261K55.5Low69.4Low98 Ų9893 Ų9343%0.42648%0.475SS..  trans-91.7125.2164.9-62.9-175.9-171.9176.40109.7D259 M268D259-K261 PolarHBondContact O-N 2.78Å; K261-M268 PolarHBondContact NZ-SD 2.76Å
262P54.3Low69.9Low75 Ų7589.1 Ų89.149%0.48746%0.455SS..  trans-63.7152.7160.929.9-34000109.7G264P262-G264 PolarHBondContact O-N 2.65Å
263P51.3Low70.4Confident78 Ų7887.9 Ų87.951%0.50645%0.45SS..  trans-68.893173.228.5-33.6000110.1E564P263-E564 HydrophobicContact CG-CG 4.5Å
264G58.9Low71.1Confident40 Ų4083.9 Ų83.941%0.41243%0.43SS..  trans-75.9167.7177.600000113.4P262 W266P262-G264 PolarHBondContact O-N 2.65Å; G264-W266 PolarHBondContact O-N 2.79Å
265Q65.5Low71.6Confident169 Ų16977.5 Ų77.579%0.7941%0.408SS*.SBendtrans-66.7-24.7172.4-179.8175.1-2.900112.3
266W74.6Confident72.1Confident95 Ų9574.6 Ų74.636%0.3638%0.384SS..SBendtrans-104.1148.3-176.8-49.8104.5000110.6G264 M268 E269 T290 D292G264-W266 PolarHBondContact O-N 2.79Å; W266-M268 PolarHBondContact O-N 3.39Å; W266-E269 HydrophobicContact CB-CB 4.38Å; W266-T290 HydrophobicContact CD2-CG2 4.34Å; W266-T290 HydrophobicContact CG-CG2 4.06Å; W266-D292 HydrophobicContact CE3-CB 4.07Å; W266-D292 HydrophobicContact CZ3-CB 4.32Å
267T83.5Confident72.4Confident65 Ų6580.6 Ų80.640%0.39940%0.402SS..SBendtrans-65.3-30.7176.3-43.20000111.8Y291 K293 A387T267-Y291 PolarHBondContact N-O 2.82Å; T267-K293 HydrophobicContact CG2-CB 3.88Å; T267-K293 HydrophobicContact CG2-CD 4.31Å; T267-K293 WeakPolarHBondContact OG1-CB 3.31Å; T267-K293 PolarHBondContact OG1-N 2.55Å; T267-A387 HydrophobicContact CG2-CB 4.37Å
268M85.1Confident73.2Confident20 Ų2080.1 Ų80.110%0.09939%0.39CS..EExtended strand (participates in β ladder)trans-151.8138.6169.1-16968.5-113.700109.9K261 W266 T290 Y291 L383 W384 A387K261-M268 PolarHBondContact NZ-SD 2.76Å; W266-M268 PolarHBondContact O-N 3.39Å; M268-T290 CarbonylContact O-C 3.55Å; M268-Y291 PolarHBondContact N-O 2.87Å; M268-Y291 PolarHBondContact O-N 2.86Å; M268-L383 HydrophobicContact SD-CB 4.24Å; M268-W384 HydrophobicContact CB-CD2 4.42Å; M268-W384 HydrophobicContact CB-CE3 3.99Å; M268-W384 HydrophobicContact CB-CH2 4.31Å; M268-W384 HydrophobicContact CB-CZ3 3.95Å; M268-W384 HydrophobicContact CG-CD2 3.48Å; M268-W384 VanDerWaalsContact CG-CD2 3.48Å; M268-W384 HydrophobicContact CG-CE3 3.56Å; M268-W384 HydrophobicContact CG-CG 4.07Å; M268-W384 HydrophobicContact CG-CH2 3.95Å; M268-W384 HydrophobicContact CG-CZ2 3.87Å; M268-W384 HydrophobicContact CG-CZ3 3.8Å; M268-A387 HydrophobicContact CB-CB 3.68Å; M268-A387 HydrophobicContact CG-CB 4.33Å
269E88.9Confident73.6Confident66 Ų6677.1 Ų77.131%0.30839%0.387SS..EExtended strand (participates in β ladder)trans-143155.1172.264.5-169.913600111.9W266 Y288 C289 T290W266-E269 HydrophobicContact CB-CB 4.38Å; E269-Y288 HydrophobicContact CB-CE1 4.37Å; E269-Y288 PolarHBondContact OE2-OH 3.13Å; E269-C289 CarbonylContact C-O 3.56Å; E269-C289 VanDerWaalsContact CA-O 3.28Å; E269-C289 WeakPolarHBondContact CA-O 3.49Å; E269-T290 HydrophobicContact CB-CG2 3.89Å
270G87.8Confident74.1Confident15 Ų1580.2 Ų80.216%0.15540%0.403CS..EExtended strand (participates in β ladder)trans150.7-178.5177.200000114.3C289G270-C289 PolarHBondContact N-O 2.93Å; G270-C289 PolarHBondContact O-N 3.01Å
271F89.9Confident75Confident75 Ų7577.1 Ų77.133%0.32940%0.403SS..EExtended strand (participates in β ladder)trans-80.1130.9-179.7-67.7-78.3000112.6R286 H287 Y288 T303 L376F271-R286 HydrophobicContact CB-CG 4.32Å; F271-R286 HydrophobicContact CD1-CG 3.98Å; F271-H287 WeakPolarHBondContact CA-O 3.35Å; F271-Y288 AromaticContact CD1-CD2 3.99Å; F271-Y288 HydrophobicContact CD1-CD2 3.99Å; F271-Y288 HydrophobicContact CD2-CD2 4.14Å; F271-Y288 HydrophobicContact CD2-CE2 4.48Å; F271-Y288 AromaticContact CE1-CD2 3.8Å; F271-Y288 HydrophobicContact CE1-CD2 3.8Å; F271-Y288 HydrophobicContact CE1-CG 4.45Å; F271-Y288 AromaticContact CE2-CD2 3.94Å; F271-Y288 HydrophobicContact CE2-CD2 3.94Å; F271-Y288 HydrophobicContact CE2-CE2 4.26Å; F271-Y288 HydrophobicContact CG-CD2 4.17Å; F271-Y288 AromaticContact CZ-CD2 3.77Å; F271-Y288 HydrophobicContact CZ-CD2 3.77Å; F271-Y288 HydrophobicContact CZ-CE2 4.44Å; F271-T303 HydrophobicContact CE1-CG2 4.18Å; F271-L376 HydrophobicContact CB-CD1 4.44Å
272L91.1Very high76Confident0 Ų075.9 Ų75.90%041%0.406CS..EExtended strand (participates in β ladder)trans-127.1150.4170.1-66176.7000109.9R286 H287 C289 F298 F341 L373 A375 W384L272-R286 WeakPolarHBondContact O-CA 3.22Å; L272-H287 PolarHBondContact N-O 2.69Å; L272-H287 PolarHBondContact O-N 3.14Å; L272-H287 VanDerWaalsContact O-O 3.13Å; L272-C289 HydrophobicContact CD1-CB 4.01Å; L272-C289 HydrophobicContact CG-CB 4.42Å; L272-F298 HydrophobicContact CD1-CE2 4.29Å; L272-F298 HydrophobicContact CD1-CZ 4.29Å; L272-F341 HydrophobicContact CD1-CZ 3.89Å; L272-F341 HydrophobicContact CD2-CE1 4.09Å; L272-F341 HydrophobicContact CD2-CZ 4.14Å; L272-L373 HydrophobicContact CD1-CB 4.49Å; L272-L373 HydrophobicContact CD1-CD1 4.06Å; L272-A375 HydrophobicContact CD2-CB 4.08Å; L272-W384 HydrophobicContact CD1-CD2 4.08Å; L272-W384 HydrophobicContact CD1-CE3 4.37Å; L272-W384 HydrophobicContact CD1-CH2 4.25Å; L272-W384 HydrophobicContact CD1-CZ2 3.95Å; L272-W384 HydrophobicContact CD1-CZ3 4.44Å; L272-W384 HydrophobicContact CD2-CG 4.46Å; L272-W384 HydrophobicContact CG-CZ2 4.12Å
273Y89.8Confident77.3Confident83 Ų8373.1 Ų73.133%0.32539%0.39SS..EExtended strand (participates in β ladder)trans-97.1132169.1-74.7-102000109.4W284 R286 L373 Q374 L376Y273-W284 HydrophobicContact CD1-CB 4.33Å; Y273-R286 HydrophobicContact CD1-CB 3.98Å; Y273-R286 HydrophobicContact CD2-CG 4.3Å; Y273-R286 HydrophobicContact CE1-CB 3.7Å; Y273-R286 HydrophobicContact CE1-CG 4.24Å; Y273-R286 HydrophobicContact CE2-CB 4.3Å; Y273-R286 HydrophobicContact CE2-CG 3.93Å; Y273-R286 HydrophobicContact CG-CB 4.42Å; Y273-L373 CarbonylContact O-C 3.57Å; Y273-L373 WeakPolarHBondContact O-CA 3.35Å; Y273-Q374 PolarHBondContact N-O 3.36Å; Y273-Q374 PolarHBondContact O-N 2.8Å; Y273-L376 HydrophobicContact CD2-CD2 4.3Å; Y273-L376 HydrophobicContact CE2-CD2 3.96Å
274V88.8Confident78.9Confident8 Ų872.2 Ų72.25%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-112.3132.8-172.8-170.80000109.8E276 W284 T285 H287 M300 M371 L373V274-E276 PolarHBondContact O-N 2.95Å; V274-W284 WeakPolarHBondContact O-CA 3.37Å; V274-T285 PolarHBondContact N-O 2.87Å; V274-T285 PolarHBondContact O-N 3.2Å; V274-H287 HydrophobicContact CG2-CB 4.07Å; V274-H287 WeakPolarHBondContact CG2-ND1 3.47Å; V274-M300 HydrophobicContact CG1-SD 4.22Å; V274-M300 HydrophobicContact CG2-SD 3.75Å; V274-M371 HydrophobicContact CG1-CG 3.78Å; V274-M371 HydrophobicContact CG1-SD 3.51Å; V274-M371 VanDerWaalsContact CG1-SD 3.51Å; V274-L373 HydrophobicContact CB-CD2 4.23Å; V274-L373 HydrophobicContact CG1-CD2 4.1Å; V274-L373 HydrophobicContact CG2-CD2 3.69Å
275Q86.9Confident80.2Confident41 Ų4170.8 Ų70.819%0.19236%0.36CS..EExtended strand (participates in β ladder)trans-82.395.6-176.3-165.6-179.88.200112.3C282 A283 W284 T372Q275-C282 HydrophobicContact CG-CB 4.07Å; Q275-C282 PolarHBondContact NE2-SG 3.3Å; Q275-A283 CarbonylContact C-O 3.59Å; Q275-A283 WeakPolarHBondContact CA-O 3.15Å; Q275-W284 HydrophobicContact CB-CD2 4.29Å; Q275-W284 HydrophobicContact CB-CE3 4.05Å; Q275-W284 HydrophobicContact CB-CH2 3.84Å; Q275-W284 HydrophobicContact CB-CZ2 4.06Å; Q275-W284 HydrophobicContact CB-CZ3 3.82Å; Q275-W284 HydrophobicContact CG-CD2 4.45Å; Q275-W284 HydrophobicContact CG-CH2 4.24Å; Q275-W284 HydrophobicContact CG-CZ2 3.95Å; Q275-T372 HydrophobicContact CB-CG2 4.43Å; Q275-T372 PolarHBondContact N-O 2.88Å
276E82.8Confident81.3Confident38 Ų3868 Ų6818%0.17834%0.342CS..EExtended strand (participates in β ladder)trans-75.2130.5170.3-72.8177.4-155.300111.5V274 R278 C282 A283 T285V274-E276 PolarHBondContact O-N 2.95Å; E276-R278 IonicContact OE1-NH2 2.78Å; E276-R278 IonicContact OE2-CZ 3.25Å; E276-R278 IonicContact OE2-NE 3.58Å; E276-R278 PolarHBondContact OE2-NE 2.93Å; E276-R278 IonicContact OE2-NH2 3.68Å; E276-R278 PolarHBondContact OE2-NH2 2.85Å; E276-C282 CarbonylContact O-C 3.53Å; E276-C282 VanDerWaalsContact O-CA 3.29Å; E276-C282 WeakPolarHBondContact O-CA 3.45Å; E276-A283 HydrophobicContact CB-CB 4.27Å; E276-A283 PolarHBondContact N-O 3.47Å; E276-A283 PolarHBondContact O-N 3.06Å; E276-T285 VanDerWaalsContact CD-OG1 3.26Å; E276-T285 VanDerWaalsContact OE1-CB 3.22Å; E276-T285 WeakPolarHBondContact OE1-CB 3.5Å; E276-T285 PolarHBondContact OE1-OG1 2.98Å
277K70.3Confident81.9Confident165 Ų16564.1 Ų64.172%0.71733%0.328SS*.EExtended strand (participates in β ladder)trans-90.1111.9169-68.2-177.6178.8178.60110.1
278R73.4Confident82.2Confident134 Ų13464.5 Ų64.551%0.50632%0.323SS..EExtended strand (participates in β ladder)trans-104.8161.2177.3-61.2-172.6179.8173.13.1110.2E276 L280 G281 A283E276-R278 IonicContact OE1-NH2 2.78Å; E276-R278 IonicContact OE2-CZ 3.25Å; E276-R278 IonicContact OE2-NE 3.58Å; E276-R278 PolarHBondContact OE2-NE 2.93Å; E276-R278 IonicContact OE2-NH2 3.68Å; E276-R278 PolarHBondContact OE2-NH2 2.85Å; R278-L280 PolarHBondContact O-N 2.93Å; R278-G281 CarbonylContact C-O 3.53Å; R278-G281 WeakPolarHBondContact CA-O 3.43Å; R278-G281 PolarHBondContact N-O 2.85Å; R278-G281 PolarHBondContact O-N 3.35Å; R278-A283 HydrophobicContact CG-CB 4.37Å; R278-A283 VanDerWaalsContact NE-CB 3.34Å
279P63.9Low82.4Confident134 Ų13463.6 Ų63.687%0.8732%0.318SS*.THydrogen-bonded Turntrans-59.5-18.7-174.3-27.636.4000116.2
280L62.4Low82.5Confident180 Ų18061.2 Ų61.294%0.94231%0.308SS*.THydrogen-bonded Turntrans-128.824-178.1-65.3172.6000112.9R278R278-L280 PolarHBondContact O-N 2.93Å
281G71.4Confident82.6Confident41 Ų4160.5 Ų60.542%0.42330%0.301SS..EExtended strand (participates in β ladder)trans151.9-171.7175.400000114.5R278R278-G281 CarbonylContact C-O 3.53Å; R278-G281 WeakPolarHBondContact CA-O 3.43Å; R278-G281 PolarHBondContact N-O 2.85Å; R278-G281 PolarHBondContact O-N 3.35Å
282C76.2Confident82.5Confident71 Ų7159.1 Ų59.148%0.4830%0.296SS..EExtended strand (participates in β ladder)trans-102.3136.6171.2-64.20000110.7Q275 E276Q275-C282 HydrophobicContact CG-CB 4.07Å; Q275-C282 PolarHBondContact NE2-SG 3.3Å; E276-C282 CarbonylContact O-C 3.53Å; E276-C282 VanDerWaalsContact O-CA 3.29Å; E276-C282 WeakPolarHBondContact O-CA 3.45Å
283A81.9Confident82.2Confident18 Ų1862.5 Ų62.515%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-108.1160.6166.500000110.1Q275 E276 R278Q275-A283 CarbonylContact C-O 3.59Å; Q275-A283 WeakPolarHBondContact CA-O 3.15Å; E276-A283 HydrophobicContact CB-CB 4.27Å; E276-A283 PolarHBondContact N-O 3.47Å; E276-A283 PolarHBondContact O-N 3.06Å; R278-A283 HydrophobicContact CG-CB 4.37Å; R278-A283 VanDerWaalsContact NE-CB 3.34Å
284W84.9Confident81.8Confident58 Ų5862 Ų6222%0.2233%0.332CS..EExtended strand (participates in β ladder)trans-124.2109.8177-72.392.2000109.3Y273 V274 Q275 I335 K337 T372 Q374Y273-W284 HydrophobicContact CD1-CB 4.33Å; V274-W284 WeakPolarHBondContact O-CA 3.37Å; Q275-W284 HydrophobicContact CB-CD2 4.29Å; Q275-W284 HydrophobicContact CB-CE3 4.05Å; Q275-W284 HydrophobicContact CB-CH2 3.84Å; Q275-W284 HydrophobicContact CB-CZ2 4.06Å; Q275-W284 HydrophobicContact CB-CZ3 3.82Å; Q275-W284 HydrophobicContact CG-CD2 4.45Å; Q275-W284 HydrophobicContact CG-CH2 4.24Å; Q275-W284 HydrophobicContact CG-CZ2 3.95Å; W284-I335 HydrophobicContact CH2-CD1 4.01Å; W284-I335 HydrophobicContact CZ2-CD1 3.66Å; W284-K337 HydrophobicContact CZ2-CB 4.19Å; W284-K337 HydrophobicContact CZ2-CG 3.71Å; W284-T372 HydrophobicContact CH2-CG2 3.89Å; W284-T372 HydrophobicContact CZ3-CG2 4.49Å; W284-Q374 HydrophobicContact CE3-CB 4.18Å; W284-Q374 HydrophobicContact CH2-CB 4.2Å; W284-Q374 HydrophobicContact CZ3-CB 3.65Å
285T84.6Confident81.6Confident11 Ų1164.1 Ų64.17%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-108.2128.1-175.2-59.70000109.9V274 E276 H287V274-T285 PolarHBondContact N-O 2.87Å; V274-T285 PolarHBondContact O-N 3.2Å; E276-T285 VanDerWaalsContact CD-OG1 3.26Å; E276-T285 VanDerWaalsContact OE1-CB 3.22Å; E276-T285 WeakPolarHBondContact OE1-CB 3.5Å; E276-T285 PolarHBondContact OE1-OG1 2.98Å; T285-H287 VanDerWaalsContact CG2-CE1 3.46Å; T285-H287 WeakPolarHBondContact CG2-CE1 3.33Å; T285-H287 PolarHBondContact O-N 3.39Å; T285-H287 PolarHBondContact O-ND1 2.82Å
286R89.5Confident81.6Confident110 Ų11067.1 Ų67.142%0.41536%0.359SS..EExtended strand (participates in β ladder)trans-79.5115.3-177.6-168.9-172.365.4-179.1-0.5110.7F271 L272 Y273 T303F271-R286 HydrophobicContact CB-CG 4.32Å; F271-R286 HydrophobicContact CD1-CG 3.98Å; L272-R286 WeakPolarHBondContact O-CA 3.22Å; Y273-R286 HydrophobicContact CD1-CB 3.98Å; Y273-R286 HydrophobicContact CD2-CG 4.3Å; Y273-R286 HydrophobicContact CE1-CB 3.7Å; Y273-R286 HydrophobicContact CE1-CG 4.24Å; Y273-R286 HydrophobicContact CE2-CB 4.3Å; Y273-R286 HydrophobicContact CE2-CG 3.93Å; Y273-R286 HydrophobicContact CG-CB 4.42Å; R286-T303 PolarHBondContact O-OG1 3.24Å
287H86.7Confident81.8Confident14 Ų1466.7 Ų66.77%0.06536%0.359CS..EExtended strand (participates in β ladder)trans-109.3153.2174-67.281.9000109.9F271 L272 V274 T285 M300 S301F271-H287 WeakPolarHBondContact CA-O 3.35Å; L272-H287 PolarHBondContact N-O 2.69Å; L272-H287 PolarHBondContact O-N 3.14Å; L272-H287 VanDerWaalsContact O-O 3.13Å; V274-H287 HydrophobicContact CG2-CB 4.07Å; V274-H287 WeakPolarHBondContact CG2-ND1 3.47Å; T285-H287 VanDerWaalsContact CG2-CE1 3.46Å; T285-H287 WeakPolarHBondContact CG2-CE1 3.33Å; T285-H287 PolarHBondContact O-N 3.39Å; T285-H287 PolarHBondContact O-ND1 2.82Å; H287-M300 HydrophobicContact CB-CG 3.53Å; H287-M300 HydrophobicContact CB-SD 4.23Å; H287-S301 WeakPolarHBondContact CA-O 3.15Å
288Y89.5Confident82.7Confident73 Ų7358.9 Ų58.929%0.28633%0.325SS..EExtended strand (participates in β ladder)trans-90.1125.4162-168.6-93.9000107.6E269 F271 T290 S301E269-Y288 HydrophobicContact CB-CE1 4.37Å; E269-Y288 PolarHBondContact OE2-OH 3.13Å; F271-Y288 AromaticContact CD1-CD2 3.99Å; F271-Y288 HydrophobicContact CD1-CD2 3.99Å; F271-Y288 HydrophobicContact CD2-CD2 4.14Å; F271-Y288 HydrophobicContact CD2-CE2 4.48Å; F271-Y288 AromaticContact CE1-CD2 3.8Å; F271-Y288 HydrophobicContact CE1-CD2 3.8Å; F271-Y288 HydrophobicContact CE1-CG 4.45Å; F271-Y288 AromaticContact CE2-CD2 3.94Å; F271-Y288 HydrophobicContact CE2-CD2 3.94Å; F271-Y288 HydrophobicContact CE2-CE2 4.26Å; F271-Y288 HydrophobicContact CG-CD2 4.17Å; F271-Y288 AromaticContact CZ-CD2 3.77Å; F271-Y288 HydrophobicContact CZ-CD2 3.77Å; F271-Y288 HydrophobicContact CZ-CE2 4.44Å; Y288-T290 HydrophobicContact CD1-CG2 4.33Å; Y288-T290 HydrophobicContact CE1-CG2 3.92Å; Y288-S301 PolarHBondContact N-O 3.43Å; Y288-S301 PolarHBondContact O-N 2.82Å
289C90.5Very high83.5Confident0 Ų053.5 Ų53.50%031%0.308CS..EExtended strand (participates in β ladder)trans-119143.5-174-600000110.4E269 G270 L272 F298 T299 W384E269-C289 CarbonylContact C-O 3.56Å; E269-C289 VanDerWaalsContact CA-O 3.28Å; E269-C289 WeakPolarHBondContact CA-O 3.49Å; G270-C289 PolarHBondContact N-O 2.93Å; G270-C289 PolarHBondContact O-N 3.01Å; L272-C289 HydrophobicContact CD1-CB 4.01Å; L272-C289 HydrophobicContact CG-CB 4.42Å; C289-F298 HydrophobicContact CB-CE2 3.95Å; C289-F298 HydrophobicContact CB-CZ 3.75Å; C289-T299 CarbonylContact C-O 3.53Å; C289-T299 VanDerWaalsContact CA-O 3.28Å; C289-T299 WeakPolarHBondContact CA-O 3.47Å; C289-W384 HydrophobicContact CB-CH2 3.9Å; C289-W384 HydrophobicContact CB-CZ2 4.34Å; C289-W384 WeakPolarHBondContact O-CH2 3.36Å
290T90.8Very high84.6Confident16 Ų1647.8 Ų47.810%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-127150171.662.40000109.9W266 M268 E269 Y288 F298 T299W266-T290 HydrophobicContact CD2-CG2 4.34Å; W266-T290 HydrophobicContact CG-CG2 4.06Å; M268-T290 CarbonylContact O-C 3.55Å; E269-T290 HydrophobicContact CB-CG2 3.89Å; Y288-T290 HydrophobicContact CD1-CG2 4.33Å; Y288-T290 HydrophobicContact CE1-CG2 3.92Å; T290-F298 WeakPolarHBondContact O-CA 3.48Å; T290-T299 PolarHBondContact N-O 3.13Å; T290-T299 PolarHBondContact O-N 3.18Å
291Y89.3Confident85.7Confident1 Ų141.3 Ų41.30%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-138.7128.7176.5178-103.5000111.5T267 M268 K293 T297 F298 L324 A387 M388T267-Y291 PolarHBondContact N-O 2.82Å; M268-Y291 PolarHBondContact N-O 2.87Å; M268-Y291 PolarHBondContact O-N 2.86Å; Y291-K293 HydrophobicContact CE1-CB 3.79Å; Y291-K293 HydrophobicContact CE1-CG 4.29Å; Y291-T297 WeakPolarHBondContact CA-O 3.26Å; Y291-T297 VanDerWaalsContact CD2-O 3.26Å; Y291-T297 WeakPolarHBondContact CD2-O 3.24Å; Y291-F298 HydrophobicContact CD2-CB 4.16Å; Y291-F298 HydrophobicContact CD2-CD2 4.49Å; Y291-L324 HydrophobicContact CE2-CB 4.01Å; Y291-L324 HydrophobicContact CE2-CD2 3.64Å; Y291-L324 HydrophobicContact CE2-CG 4.45Å; Y291-A387 HydrophobicContact CD1-CB 4.37Å; Y291-A387 WeakPolarHBondContact CE1-O 3.49Å; Y291-M388 HydrophobicContact CD1-CG 3.69Å; Y291-M388 HydrophobicContact CD2-CG 3.92Å; Y291-M388 HydrophobicContact CD2-SD 4.15Å; Y291-M388 HydrophobicContact CE1-CB 4.42Å; Y291-M388 HydrophobicContact CE1-CG 3.74Å; Y291-M388 HydrophobicContact CE2-CG 3.97Å; Y291-M388 HydrophobicContact CG-CG 3.78Å; Y291-M388 HydrophobicContact CG-SD 4.27Å
292D87.9Confident86.1Confident45 Ų4543.1 Ų43.124%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-108.2119.4168166.435000110.1W266 G294 S295 K296 T297W266-D292 HydrophobicContact CE3-CB 4.07Å; W266-D292 HydrophobicContact CZ3-CB 4.32Å; D292-G294 VanDerWaalsContact C-N 3.34Å; D292-G294 PolarHBondContact OD1-N 3.28Å; D292-S295 WeakPolarHBondContact OD2-CB 3.4Å; D292-S295 PolarHBondContact OD2-N 3.28Å; D292-S295 PolarHBondContact OD2-OG 2.96Å; D292-K296 CarbonylContact O-C 3.58Å; D292-K296 WeakPolarHBondContact O-CA 3.4Å; D292-K296 PolarHBondContact O-N 3.17Å; D292-T297 PolarHBondContact N-O 2.82Å; D292-T297 PolarHBondContact O-N 3.19Å; D292-T297 VanDerWaalsContact O-N 3.13Å
293K84.1Confident85.5Confident71 Ų7142.3 Ų42.331%0.30923%0.232SC..THydrogen-bonded Turntrans-70.9-26.8177.5-168168.6-167.3145.30113.3T267 Y291 E386 A387 D389T267-K293 HydrophobicContact CG2-CB 3.88Å; T267-K293 HydrophobicContact CG2-CD 4.31Å; T267-K293 WeakPolarHBondContact OG1-CB 3.31Å; T267-K293 PolarHBondContact OG1-N 2.55Å; Y291-K293 HydrophobicContact CE1-CB 3.79Å; Y291-K293 HydrophobicContact CE1-CG 4.29Å; K293-E386 PolarHBondContact NZ-O 3.08Å; K293-A387 WeakPolarHBondContact CD-O 3.25Å; K293-A387 PolarHBondContact NZ-O 3.39Å; K293-A387 VanDerWaalsContact NZ-O 3.17Å; K293-D389 WeakPolarHBondContact CE-OD1 3.49Å; K293-D389 VanDerWaalsContact CE-OD2 3.26Å; K293-D389 WeakPolarHBondContact CE-OD2 3.36Å; K293-D389 IonicContact NZ-OD1 3.37Å; K293-D389 PolarHBondContact NZ-OD1 3.41Å; K293-D389 IonicContact NZ-OD2 3.91Å
294G81.9Confident84.4Confident73 Ų7346.4 Ų46.475%0.75325%0.248SC*.THydrogen-bonded Turntrans-66.7-50178.800000112.4D292D292-G294 VanDerWaalsContact C-N 3.34Å; D292-G294 PolarHBondContact OD1-N 3.28Å
295S84.1Confident82.9Confident53 Ų5351.1 Ų51.137%0.37128%0.277SS..THydrogen-bonded Turntrans-89.3-9.7175.765.50000114.6D292 T297D292-S295 WeakPolarHBondContact OD2-CB 3.4Å; D292-S295 PolarHBondContact OD2-N 3.28Å; D292-S295 PolarHBondContact OD2-OG 2.96Å; S295-T297 WeakPolarHBondContact CB-OG1 3.42Å; S295-T297 PolarHBondContact O-N 3.41Å; S295-T297 VanDerWaalsContact OG-CB 3.25Å; S295-T297 WeakPolarHBondContact OG-CB 3.42Å; S295-T297 PolarHBondContact OG-N 3.14Å; S295-T297 PolarHBondContact OG-OG1 2.96Å
296K87.4Confident81.1Confident103 Ų10357.6 Ų57.645%0.44831%0.305SS..THydrogen-bonded Turntrans54.833.5-167.8-59.6-167.2174.3-164.60113.3D292 L324D292-K296 CarbonylContact O-C 3.58Å; D292-K296 WeakPolarHBondContact O-CA 3.4Å; D292-K296 PolarHBondContact O-N 3.17Å; K296-L324 PolarHBondContact O-N 2.83Å
297T88.1Confident79.1Confident30 Ų3058.3 Ų58.318%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-90.9127.7-178.8-55.40000110.2Y291 D292 S295 T321 F322Y291-T297 WeakPolarHBondContact CA-O 3.26Å; Y291-T297 VanDerWaalsContact CD2-O 3.26Å; Y291-T297 WeakPolarHBondContact CD2-O 3.24Å; D292-T297 PolarHBondContact N-O 2.82Å; D292-T297 PolarHBondContact O-N 3.19Å; D292-T297 VanDerWaalsContact O-N 3.13Å; S295-T297 WeakPolarHBondContact CB-OG1 3.42Å; S295-T297 PolarHBondContact O-N 3.41Å; S295-T297 VanDerWaalsContact OG-CB 3.25Å; S295-T297 WeakPolarHBondContact OG-CB 3.42Å; S295-T297 PolarHBondContact OG-N 3.14Å; S295-T297 PolarHBondContact OG-OG1 2.96Å; T297-T321 HydrophobicContact CG2-CG2 3.41Å; T297-T321 VanDerWaalsContact CG2-CG2 3.41Å; T297-F322 WeakPolarHBondContact CA-O 3.27Å
298F89.3Confident76.7Confident0 Ų062.1 Ų62.10%036%0.361CS..EExtended strand (participates in β ladder)trans-111.4122.6170.2179.6-90.9000108.5L272 C289 T290 Y291 M300 F322 I343 M371 L373 W384 M388L272-F298 HydrophobicContact CD1-CE2 4.29Å; L272-F298 HydrophobicContact CD1-CZ 4.29Å; C289-F298 HydrophobicContact CB-CE2 3.95Å; C289-F298 HydrophobicContact CB-CZ 3.75Å; T290-F298 WeakPolarHBondContact O-CA 3.48Å; Y291-F298 HydrophobicContact CD2-CB 4.16Å; Y291-F298 HydrophobicContact CD2-CD2 4.49Å; F298-M300 HydrophobicContact CE1-CB 4.27Å; F298-F322 HydrophobicContact CD1-CD2 4.23Å; F298-F322 PolarHBondContact N-O 3.33Å; F298-F322 PolarHBondContact O-N 3.25Å; F298-I343 HydrophobicContact CD1-CD1 3.69Å; F298-I343 HydrophobicContact CD2-CD1 4.26Å; F298-I343 HydrophobicContact CE1-CD1 3.73Å; F298-I343 HydrophobicContact CE2-CD1 4.29Å; F298-I343 HydrophobicContact CG-CD1 3.97Å; F298-I343 HydrophobicContact CZ-CD1 4.03Å; F298-M371 HydrophobicContact CD1-CE 4.48Å; F298-M371 HydrophobicContact CE1-CE 3.92Å; F298-L373 HydrophobicContact CE2-CD1 4.17Å; F298-L373 HydrophobicContact CZ-CD1 3.78Å; F298-W384 HydrophobicContact CD2-CZ3 4.47Å; F298-W384 HydrophobicContact CE2-CZ3 4.07Å; F298-M388 HydrophobicContact CD2-SD 4.07Å; F298-M388 HydrophobicContact CE2-SD 4.44Å
299T89.2Confident74.3Confident22 Ų2262.2 Ų62.214%0.13538%0.384CS..EExtended strand (participates in β ladder)trans-120.7139.8-177.5-67.60000110.4C289 T290 P319 E320 T321C289-T299 CarbonylContact C-O 3.53Å; C289-T299 VanDerWaalsContact CA-O 3.28Å; C289-T299 WeakPolarHBondContact CA-O 3.47Å; T290-T299 PolarHBondContact N-O 3.13Å; T290-T299 PolarHBondContact O-N 3.18Å; T299-P319 HydrophobicContact CG2-CB 3.72Å; T299-P319 HydrophobicContact CG2-CG 4.22Å; T299-E320 CarbonylContact C-O 3.52Å; T299-E320 WeakPolarHBondContact CA-O 3.28Å; T299-T321 WeakPolarHBondContact CG2-OG1 3.23Å; T299-T321 WeakPolarHBondContact OG1-CG2 3.49Å; T299-T321 PolarHBondContact OG1-OG1 3.41Å
300M87.8Confident72.1Confident13 Ų1372.1 Ų72.16%0.06443%0.427CS..EExtended strand (participates in β ladder)trans-130.6116.9-169.1-173.3179.476.800111V274 H287 F298 P319 E320 F322 M371V274-M300 HydrophobicContact CG1-SD 4.22Å; V274-M300 HydrophobicContact CG2-SD 3.75Å; H287-M300 HydrophobicContact CB-CG 3.53Å; H287-M300 HydrophobicContact CB-SD 4.23Å; F298-M300 HydrophobicContact CE1-CB 4.27Å; M300-P319 CarbonylContact O-C 3.57Å; M300-P319 WeakPolarHBondContact O-CA 3.48Å; M300-E320 HydrophobicContact CE-CB 4.29Å; M300-E320 WeakPolarHBondContact CE-OE2 3.15Å; M300-E320 PolarHBondContact N-O 3.34Å; M300-E320 PolarHBondContact O-N 3.2Å; M300-F322 HydrophobicContact CB-CE2 4.45Å; M300-F322 HydrophobicContact CE-CE2 4.46Å; M300-M371 HydrophobicContact SD-CE 4.04Å; M300-M371 HydrophobicContact SD-SD 4.25Å
301S85.6Confident69.3Low44 Ų4480.5 Ų80.531%0.30847%0.465SS..EExtended strand (participates in β ladder)trans-109.7124.7-178.2-600000110.8H287 Y288 P319H287-S301 WeakPolarHBondContact CA-O 3.15Å; Y288-S301 PolarHBondContact N-O 3.43Å; Y288-S301 PolarHBondContact O-N 2.82Å; S301-P319 WeakPolarHBondContact OG-CB 3.33Å
302N78.1Confident66.7Low80 Ų8088.8 Ų88.843%0.42851%0.509SS..EExtended strand (participates in β ladder)trans-74.2141.3175-168.1-18.9000110.2E304N302-E304 PolarHBondContact OD1-N 3.33Å
303T64.1Low64.2Low54 Ų5489.6 Ų89.633%0.33153%0.528SS..  trans-118.4-0.6-17762.80000114.5F271 R286 N305F271-T303 HydrophobicContact CE1-CG2 4.18Å; R286-T303 PolarHBondContact O-OG1 3.24Å; T303-N305 PolarHBondContact O-N 3.28Å
304E58.6Low61.7Low104 Ų10494.6 Ų94.649%0.48656%0.558SS.*  trans-85.581.4175.2-72.8-158.313400112.4N302 K306N302-E304 PolarHBondContact OD1-N 3.33Å; E304-K306 PolarHBondContact O-N 2.86Å; E304-K306 IonicContact OE1-NZ 2.61Å; E304-K306 PolarHBondContact OE1-NZ 3.28Å; E304-K306 IonicContact OE2-NZ 2.72Å; E304-K306 PolarHBondContact OE2-NZ 3.5Å
305N54.2Low59.6Low156 Ų15696.9 Ų96.983%0.83456%0.556SS**  trans-68.973159.1-87.32000110.2T303 S307T303-N305 PolarHBondContact O-N 3.28Å; N305-S307 PolarHBondContact O-N 3.31Å
306K46.7Very low57.6Low148 Ų148101.2 Ų101.264%0.64358%0.575SS**  trans-66.9122.9164.2-74.6-165.8169.187.10108.2E304 A308E304-K306 PolarHBondContact O-N 2.86Å; E304-K306 IonicContact OE1-NZ 2.61Å; E304-K306 PolarHBondContact OE1-NZ 3.28Å; E304-K306 IonicContact OE2-NZ 2.72Å; E304-K306 PolarHBondContact OE2-NZ 3.5Å; K306-A308 VanDerWaalsContact C-N 3.29Å; K306-A308 PolarHBondContact O-N 3.11Å
307S46.5Very low56.1Low124 Ų124101.6 Ų101.687%0.86758%0.582SS**  trans-7079.2-177.756.40000111.9N305 G309N305-S307 PolarHBondContact O-N 3.31Å; S307-G309 PolarHBondContact O-N 3.44Å
308A37.4Very low54.7Low95 Ų95108.2 Ų108.279%0.78561%0.611SS**  trans-64.8128168.300000109.5K306 K310K306-A308 VanDerWaalsContact C-N 3.29Å; K306-A308 PolarHBondContact O-N 3.11Å; A308-K310 PolarHBondContact O-N 2.97Å
309G39.5Very low54.1Low75 Ų75111.2 Ų111.277%0.77363%0.63SS**  trans-70.1128.6-175.200000112.8S307 Q311S307-G309 PolarHBondContact O-N 3.44Å; G309-Q311 PolarHBondContact O-N 3.41Å
310K43.7Very low53.8Low208 Ų208114.6 Ų114.690%0.90464%0.644SS**  trans22.491.6161.4-65.9-174.8178-177.60116.8A308A308-K310 PolarHBondContact O-N 2.97Å
311Q32.4Very low53.6Low191 Ų191117.8 Ų117.889%0.89366%0.664SS**  trans-145153.4138.2-111.3171.935.100109.8G309G309-Q311 PolarHBondContact O-N 3.41Å
312N34.2Very low53.6Low175 Ų175117.6 Ų117.694%0.93666%0.658SS**  trans-79.2125.8-162.6-62.9-17.8000112.1
313G34.6Very low54Low62 Ų62120.2 Ų120.264%0.63967%0.666SS**  trans155.8118.517000000113V315G313-V315 PolarHBondContact O-N 2.66Å
314L33.4Very low55.1Low177 Ų177118.3 Ų118.393%0.92765%0.654SS**  trans-75.972170.9-101.2160.5000110.2L316L314-L316 VanDerWaalsContact C-N 3.31Å; L314-L316 PolarHBondContact O-N 3.08Å
315V36.8Very low56.4Low120 Ų120119.6 Ų119.673%0.72766%0.657SS**  trans-78.487168.9-175.50000108.2G313 N317G313-V315 PolarHBondContact O-N 2.66Å; V315-N317 PolarHBondContact O-N 2.84Å
316L41.3Very low57.9Low144 Ų144113.9 Ų113.975%0.75463%0.63SS**  trans-64.9112.7169.6-172.572.3000108.3L314 Q318L314-L316 VanDerWaalsContact C-N 3.31Å; L314-L316 PolarHBondContact O-N 3.08Å; L316-Q318 PolarHBondContact O-N 3.31Å
317N56Low59.9Low112 Ų112107 Ų10760%0.59960%0.6SS**  trans-59.3104.2173.9-78.4-35.9000109V315V315-N317 PolarHBondContact O-N 2.84Å
318Q59.7Low61.8Low169 Ų169105.1 Ų105.179%0.7958%0.58SS**PPolyproline II helixtrans-67.9140177.5-69.6-166.8-7.500110.2L316 E320L316-Q318 PolarHBondContact O-N 3.31Å; Q318-E320 PolarHBondContact O-N 3.08Å
319P75.8Confident64Low63 Ų63104.5 Ų104.541%0.40956%0.557SS.*PPolyproline II helixtrans-72.6126.1-177.331.3-36.2000110.8T299 M300 S301 T321T299-P319 HydrophobicContact CG2-CB 3.72Å; T299-P319 HydrophobicContact CG2-CG 4.22Å; M300-P319 CarbonylContact O-C 3.57Å; M300-P319 WeakPolarHBondContact O-CA 3.48Å; S301-P319 WeakPolarHBondContact OG-CB 3.33Å; P319-T321 PolarHBondContact O-N 2.71Å; P319-T321 PolarHBondContact O-OG1 3.39Å
320E83.6Confident65.9Low92 Ų92103.7 Ų103.743%0.4353%0.531SS..EExtended strand (participates in β ladder)trans-67.8126.9-178.4-63.8-168.416200109.6T299 M300 Q318 F322T299-E320 CarbonylContact C-O 3.52Å; T299-E320 WeakPolarHBondContact CA-O 3.28Å; M300-E320 HydrophobicContact CE-CB 4.29Å; M300-E320 WeakPolarHBondContact CE-OE2 3.15Å; M300-E320 PolarHBondContact N-O 3.34Å; M300-E320 PolarHBondContact O-N 3.2Å; Q318-E320 PolarHBondContact O-N 3.08Å; E320-F322 HydrophobicContact CB-CE2 3.58Å; E320-F322 HydrophobicContact CB-CZ 3.8Å
321T83.2Confident67.1Low80 Ų80100.9 Ų100.949%0.49152%0.518SS..EExtended strand (participates in β ladder)trans-124.7126.8-170.4-65.50000110.6T297 T299 P319T297-T321 HydrophobicContact CG2-CG2 3.41Å; T297-T321 VanDerWaalsContact CG2-CG2 3.41Å; T299-T321 WeakPolarHBondContact CG2-OG1 3.23Å; T299-T321 WeakPolarHBondContact OG1-CG2 3.49Å; T299-T321 PolarHBondContact OG1-OG1 3.41Å; P319-T321 PolarHBondContact O-N 2.71Å; P319-T321 PolarHBondContact O-OG1 3.39Å
322F86.3Confident68.6Low40 Ų4097.5 Ų97.518%0.17551%0.511CS..EExtended strand (participates in β ladder)trans-129.1149.9-170.5-54.2-88.2000110.7T297 F298 M300 E320 V345 M371T297-F322 WeakPolarHBondContact CA-O 3.27Å; F298-F322 HydrophobicContact CD1-CD2 4.23Å; F298-F322 PolarHBondContact N-O 3.33Å; F298-F322 PolarHBondContact O-N 3.25Å; M300-F322 HydrophobicContact CB-CE2 4.45Å; M300-F322 HydrophobicContact CE-CE2 4.46Å; E320-F322 HydrophobicContact CB-CE2 3.58Å; E320-F322 HydrophobicContact CB-CZ 3.8Å; F322-V345 HydrophobicContact CB-CB 4Å; F322-V345 HydrophobicContact CB-CG1 3.67Å; F322-V345 HydrophobicContact CD1-CB 4.36Å; F322-V345 HydrophobicContact CD1-CG1 4.46Å; F322-V345 HydrophobicContact CD1-CG2 3.99Å; F322-V345 HydrophobicContact CG-CG1 4.2Å; F322-M371 HydrophobicContact CE2-CE 4.22Å
323K85.9Confident70Confident136 Ų13695.4 Ų95.459%0.59150%0.5SS*.EExtended strand (participates in β ladder)trans-93.4124.4165.8-77.5-167.3170.8-171.60110V345 V346K323-V345 CarbonylContact O-C 3.55Å; K323-V345 VanDerWaalsContact O-CA 3.28Å; K323-V345 WeakPolarHBondContact O-CA 3.18Å; K323-V346 HydrophobicContact CB-CB 4.35Å; K323-V346 HydrophobicContact CB-CG2 4.15Å; K323-V346 PolarHBondContact O-N 3.06Å
324L87.8Confident71.8Confident14 Ų1495.9 Ų95.97%0.07349%0.493CS..EExtended strand (participates in β ladder)trans-72.3127177.3-175.274.3000110.5Y291 K296 S326 I343 M388Y291-L324 HydrophobicContact CE2-CB 4.01Å; Y291-L324 HydrophobicContact CE2-CD2 3.64Å; Y291-L324 HydrophobicContact CE2-CG 4.45Å; K296-L324 PolarHBondContact O-N 2.83Å; L324-S326 WeakPolarHBondContact CD1-O 3.41Å; L324-I343 HydrophobicContact CD1-CB 3.62Å; L324-I343 HydrophobicContact CD1-CG2 3.66Å; L324-M388 HydrophobicContact CD1-SD 4.43Å; L324-M388 HydrophobicContact CD2-CB 3.65Å; L324-M388 HydrophobicContact CD2-CG 3.85Å; L324-M388 HydrophobicContact CD2-SD 4.11Å
325K85.8Confident73.9Confident130 Ų13088.7 Ų88.757%0.56546%0.455SS*.EExtended strand (participates in β ladder)trans-98.1-45.7173179.7178.9161.7-160.60111.5E344 V346K325-E344 WeakPolarHBondContact CA-O 3.31Å; K325-E344 HydrophobicContact CB-CB 4.42Å; K325-E344 HydrophobicContact CB-CG 4.23Å; K325-E344 WeakPolarHBondContact CB-O 3.36Å; K325-E344 VanDerWaalsContact CD-CD 3.45Å; K325-E344 HydrophobicContact CD-CG 4.04Å; K325-E344 WeakPolarHBondContact CD-OE2 3.37Å; K325-E344 VanDerWaalsContact CE-OE1 3.24Å; K325-E344 WeakPolarHBondContact CE-OE1 3.36Å; K325-E344 WeakPolarHBondContact CE-OE2 3.33Å; K325-E344 HydrophobicContact CG-CG 4.42Å; K325-E344 PolarHBondContact N-O 3.45Å; K325-E344 IonicContact NZ-OE1 2.69Å; K325-E344 PolarHBondContact NZ-OE1 2.82Å; K325-E344 IonicContact NZ-OE2 3.81Å; K325-V346 HydrophobicContact CB-CG2 4.1Å
326S85.6Confident75.8Confident36 Ų3689.6 Ų89.625%0.25246%0.456SS..EExtended strand (participates in β ladder)trans-154.2158.4174.672.20000112.2L324 I343 E344L324-S326 WeakPolarHBondContact CD1-O 3.41Å; S326-I343 WeakPolarHBondContact O-CA 3.44Å; S326-E344 PolarHBondContact N-O 2.93Å; S326-E344 PolarHBondContact O-N 2.78Å; S326-E344 VanDerWaalsContact OG-CB 3.25Å; S326-E344 WeakPolarHBondContact OG-CB 3.33Å; S326-E344 PolarHBondContact OG-OE2 2.89Å
327C88.5Confident77.8Confident3 Ų386.8 Ų86.82%0.0244%0.438CS..EExtended strand (participates in β ladder)trans-130.3137.2171.2-171.10000110.4D342 I343 M388 G390 K391C327-D342 WeakPolarHBondContact CA-O 3.48Å; C327-D342 PolarHBondContact SG-O 2.84Å; C327-D342 VanDerWaalsContact SG-O 3.35Å; C327-I343 HydrophobicContact CB-CG2 4.15Å; C327-M388 HydrophobicContact CB-CB 3.9Å; C327-G390 VanDerWaalsContact O-CA 3.23Å; C327-G390 WeakPolarHBondContact O-CA 3.38Å; C327-K391 PolarHBondContact O-N 3.03Å; C327-K391 VanDerWaalsContact O-N 3.09Å
328I85.5Confident79.1Confident86 Ų8690.1 Ų90.144%0.44144%0.442SS..EExtended strand (participates in β ladder)trans-141.3131.4-170.9-54-179.7000109.7R330 D342I328-R330 PolarHBondContact O-N 3.28Å; I328-D342 PolarHBondContact N-O 2.86Å; I328-D342 PolarHBondContact O-N 2.83Å
329R83.3Confident80.5Confident81 Ų8184.3 Ų84.331%0.30641%0.414SS..EExtended strand (participates in β ladder)trans-65.1122.1170.7-179.7-177.3-179.5160.2-4.9109.9L385 K391 E392R329-L385 HydrophobicContact CB-CD1 4.08Å; R329-K391 PolarHBondContact N-O 2.88Å; R329-E392 WeakPolarHBondContact CD-OE1 3.29Å; R329-E392 IonicContact CZ-OE1 3.92Å; R329-E392 IonicContact NE-OE1 2.64Å; R329-E392 IonicContact NH1-OE1 3.09Å; R329-E392 PolarHBondContact NH1-OE1 3.23Å
330R80Confident81.1Confident58 Ų5881.6 Ų81.622%0.21940%0.397CS..PPolyproline II helixtrans-74.1140.2173.4-177.8166.3-76.5-174.8-1.6109.6I328 S334 I335 C340 D342 T372I328-R330 PolarHBondContact O-N 3.28Å; R330-S334 WeakPolarHBondContact CG-OG 3.42Å; R330-I335 HydrophobicContact CG-CG2 4.06Å; R330-C340 HydrophobicContact CB-CB 4.36Å; R330-C340 PolarHBondContact N-O 2.87Å; R330-D342 IonicContact CZ-OD1 2.64Å; R330-D342 IonicContact CZ-OD2 3.66Å; R330-D342 IonicContact NE-OD1 3.92Å; R330-D342 PolarHBondContact NE-OD1 2.95Å; R330-D342 IonicContact NE-OD2 3.85Å; R330-D342 PolarHBondContact NE-OD2 3.02Å; R330-D342 IonicContact NH2-OD1 2.68Å; R330-D342 PolarHBondContact NH2-OD1 3.03Å; R330-D342 IonicContact NH2-OD2 2.68Å; R330-D342 PolarHBondContact NH2-OD2 2.77Å; R330-T372 VanDerWaalsContact NH1-CG2 3.35Å; R330-T372 PolarHBondContact NH1-OG1 3.11Å; R330-T372 PolarHBondContact NH2-OG1 3.22Å
331K68.9Low81.4Confident149 Ų14977.2 Ų77.265%0.64838%0.376SS*.PPolyproline II helixtrans-73.3145.3179.6-60.7-176.9176-175.90111.3D333 S334K331-D333 VanDerWaalsContact C-N 3.3Å; K331-D333 WeakPolarHBondContact CB-OD1 3.46Å; K331-D333 PolarHBondContact O-N 2.92Å; K331-S334 PolarHBondContact O-N 2.93Å; K331-S334 VanDerWaalsContact O-N 3.13Å; K331-S334 PolarHBondContact O-OG 2.86Å
332T64.2Low81.6Confident120 Ų12074.6 Ų74.674%0.73636%0.359SS*.THydrogen-bonded Turntrans-65.8-27.9-175.2-41.50000114
333D64.4Low81.8Confident132 Ų13272.7 Ų72.771%0.70635%0.351SS*.THydrogen-bonded Turntrans-71.2-29174.556.5-7.6000113K331K331-D333 VanDerWaalsContact C-N 3.3Å; K331-D333 WeakPolarHBondContact CB-OD1 3.46Å; K331-D333 PolarHBondContact O-N 2.92Å
334S71.9Confident81.8Confident71 Ų7168.7 Ų68.750%0.49734%0.335SS..SBendtrans-84.1-7.4-173.569.50000115.4R330 K331R330-S334 WeakPolarHBondContact CG-OG 3.42Å; K331-S334 PolarHBondContact O-N 2.93Å; K331-S334 VanDerWaalsContact O-N 3.13Å; K331-S334 PolarHBondContact O-OG 2.86Å
335I76.6Confident81.7Confident26 Ų2668.4 Ų68.413%0.13333%0.333CS..  trans-156.8133176.2-163.7160.4000112.9W284 R330 K337 C340 T372W284-I335 HydrophobicContact CH2-CD1 4.01Å; W284-I335 HydrophobicContact CZ2-CD1 3.66Å; R330-I335 HydrophobicContact CG-CG2 4.06Å; I335-K337 HydrophobicContact CG1-CB 4.48Å; I335-K337 PolarHBondContact O-N 3.23Å; I335-C340 HydrophobicContact CG2-CB 3.87Å; I335-T372 HydrophobicContact CD1-CG2 4.24Å
336D78.5Confident81.4Confident140 Ų14066.4 Ų66.475%0.74933%0.332SS*.SBendtrans-74.152.3173.9176.247.8000112.2
337K82.1Confident80.2Confident85 Ų8569.5 Ų69.537%0.3734%0.342SS..SBendtrans-149131.6172.7-72.1-61.9157.4-89.30110W284 I335 C340W284-K337 HydrophobicContact CZ2-CB 4.19Å; W284-K337 HydrophobicContact CZ2-CG 3.71Å; I335-K337 HydrophobicContact CG1-CB 4.48Å; I335-K337 PolarHBondContact O-N 3.23Å; K337-C340 WeakPolarHBondContact CB-SG 3.22Å
338R84.1Confident78.5Confident182 Ų18281 Ų8169%0.68739%0.385SS*.THydrogen-bonded Turntrans-71.1150176.6-56.3-162.7-53.2-177.42.7110.8C340 Q374R338-C340 VanDerWaalsContact C-N 3.3Å; R338-C340 PolarHBondContact O-N 2.78Å; R338-Q374 WeakPolarHBondContact O-CG 3.48Å; R338-Q374 PolarHBondContact O-NE2 2.96Å
339F88.4Confident76.3Confident46 Ų4682.9 Ų82.920%0.20240%0.396CS..THydrogen-bonded Turntrans65.824.8171.2-37.5-47.3000115.6A375 E378 R381F339-A375 HydrophobicContact CB-CB 4.35Å; F339-A375 PolarHBondContact O-N 3.49Å; F339-E378 HydrophobicContact CD1-CB 3.83Å; F339-E378 HydrophobicContact CD1-CG 3.93Å; F339-E378 HydrophobicContact CE1-CB 3.69Å; F339-E378 HydrophobicContact CE1-CG 4.1Å; F339-R381 HydrophobicContact CB-CB 4.29Å
340C87.9Confident74.1Confident6 Ų685.2 Ų85.24%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-77.4148.7176.9-69.20000113.9R330 I335 K337 R338 L373R330-C340 HydrophobicContact CB-CB 4.36Å; R330-C340 PolarHBondContact N-O 2.87Å; I335-C340 HydrophobicContact CG2-CB 3.87Å; K337-C340 WeakPolarHBondContact CB-SG 3.22Å; R338-C340 VanDerWaalsContact C-N 3.3Å; R338-C340 PolarHBondContact O-N 2.78Å; C340-L373 CarbonylContact C-O 3.56Å; C340-L373 WeakPolarHBondContact CA-O 3.26Å
341F90Very high71.9Confident0 Ų090.3 Ų90.30%044%0.444CS..EExtended strand (participates in β ladder)trans-149.3162170.864.1-85.7000109.5L272 I343 L373 A375 R381 W384 L385 M388L272-F341 HydrophobicContact CD1-CZ 3.89Å; L272-F341 HydrophobicContact CD2-CE1 4.09Å; L272-F341 HydrophobicContact CD2-CZ 4.14Å; F341-I343 HydrophobicContact CD2-CG2 4.31Å; F341-I343 HydrophobicContact CE2-CG2 4.08Å; F341-L373 HydrophobicContact CD1-CB 4.35Å; F341-L373 HydrophobicContact CD2-CB 4.19Å; F341-L373 HydrophobicContact CD2-CD1 4.39Å; F341-L373 HydrophobicContact CE1-CB 3.94Å; F341-L373 HydrophobicContact CE2-CB 3.76Å; F341-L373 HydrophobicContact CE2-CD1 3.53Å; F341-L373 HydrophobicContact CE2-CG 4.23Å; F341-L373 HydrophobicContact CG-CB 4.49Å; F341-L373 HydrophobicContact CZ-CB 3.63Å; F341-L373 HydrophobicContact CZ-CD1 3.85Å; F341-L373 HydrophobicContact CZ-CG 4.39Å; F341-L373 PolarHBondContact N-O 2.73Å; F341-L373 PolarHBondContact O-N 2.66Å; F341-L373 VanDerWaalsContact O-O 3.08Å; F341-A375 HydrophobicContact CE1-CB 4.27Å; F341-R381 HydrophobicContact CD1-CG 4.25Å; F341-W384 HydrophobicContact CE1-CB 4.29Å; F341-W384 HydrophobicContact CZ-CB 3.98Å; F341-W384 HydrophobicContact CZ-CG 4.2Å; F341-L385 HydrophobicContact CB-CD2 4.41Å; F341-M388 HydrophobicContact CD2-CE 4.36Å; F341-M388 HydrophobicContact CE2-CE 3.49Å; F341-M388 VanDerWaalsContact CE2-CE 3.49Å; F341-M388 HydrophobicContact CZ-CE 4.06Å
342D88.4Confident70.3Confident25 Ų2588.9 Ų88.913%0.13445%0.452CS..EExtended strand (participates in β ladder)trans-110.7142.7177.1-71.9-46.2000110.3C327 I328 R330 V370 T372C327-D342 WeakPolarHBondContact CA-O 3.48Å; C327-D342 PolarHBondContact SG-O 2.84Å; C327-D342 VanDerWaalsContact SG-O 3.35Å; I328-D342 PolarHBondContact N-O 2.86Å; I328-D342 PolarHBondContact O-N 2.83Å; R330-D342 IonicContact CZ-OD1 2.64Å; R330-D342 IonicContact CZ-OD2 3.66Å; R330-D342 IonicContact NE-OD1 3.92Å; R330-D342 PolarHBondContact NE-OD1 2.95Å; R330-D342 IonicContact NE-OD2 3.85Å; R330-D342 PolarHBondContact NE-OD2 3.02Å; R330-D342 IonicContact NH2-OD1 2.68Å; R330-D342 PolarHBondContact NH2-OD1 3.03Å; R330-D342 IonicContact NH2-OD2 2.68Å; R330-D342 PolarHBondContact NH2-OD2 2.77Å; D342-V370 HydrophobicContact CB-CG1 4.02Å; D342-T372 VanDerWaalsContact OD1-CA 3.29Å; D342-T372 WeakPolarHBondContact OD1-CA 3.38Å; D342-T372 VanDerWaalsContact OD1-CB 3.26Å; D342-T372 WeakPolarHBondContact OD1-CB 3.11Å; D342-T372 WeakPolarHBondContact OD1-CG2 3.24Å; D342-T372 PolarHBondContact OD1-OG1 2.91Å
343I89.3Confident68.9Low0 Ų095 Ų950%046%0.462CS..EExtended strand (participates in β ladder)trans-112.8135.9161.159168000109.5F298 L324 S326 C327 F341 V345 V370 M371 L373 M388F298-I343 HydrophobicContact CD1-CD1 3.69Å; F298-I343 HydrophobicContact CD2-CD1 4.26Å; F298-I343 HydrophobicContact CE1-CD1 3.73Å; F298-I343 HydrophobicContact CE2-CD1 4.29Å; F298-I343 HydrophobicContact CG-CD1 3.97Å; F298-I343 HydrophobicContact CZ-CD1 4.03Å; L324-I343 HydrophobicContact CD1-CB 3.62Å; L324-I343 HydrophobicContact CD1-CG2 3.66Å; S326-I343 WeakPolarHBondContact O-CA 3.44Å; C327-I343 HydrophobicContact CB-CG2 4.15Å; F341-I343 HydrophobicContact CD2-CG2 4.31Å; F341-I343 HydrophobicContact CE2-CG2 4.08Å; I343-V345 HydrophobicContact CD1-CG1 3.98Å; I343-V345 HydrophobicContact CG1-CG1 4.39Å; I343-V370 WeakPolarHBondContact O-CA 3.5Å; I343-M371 HydrophobicContact CD1-CE 3.94Å; I343-M371 HydrophobicContact CG1-CB 4.14Å; I343-M371 PolarHBondContact N-O 2.78Å; I343-M371 PolarHBondContact O-N 2.59Å; I343-L373 HydrophobicContact CB-CD1 4.45Å; I343-L373 HydrophobicContact CD1-CD1 3.71Å; I343-L373 HydrophobicContact CG1-CD1 3.71Å; I343-L373 HydrophobicContact CG1-CG 4.4Å; I343-L373 HydrophobicContact CG2-CD1 3.98Å; I343-M388 HydrophobicContact CG2-CE 4.02Å; I343-M388 HydrophobicContact CG2-SD 4Å
344E86.1Confident67.4Low53 Ų5391.8 Ų91.825%0.24846%0.459CS..EExtended strand (participates in β ladder)trans-96.7125.5166.4-170.9-171.9-161.500107.4K325 S326 V370K325-E344 WeakPolarHBondContact CA-O 3.31Å; K325-E344 HydrophobicContact CB-CB 4.42Å; K325-E344 HydrophobicContact CB-CG 4.23Å; K325-E344 WeakPolarHBondContact CB-O 3.36Å; K325-E344 VanDerWaalsContact CD-CD 3.45Å; K325-E344 HydrophobicContact CD-CG 4.04Å; K325-E344 WeakPolarHBondContact CD-OE2 3.37Å; K325-E344 VanDerWaalsContact CE-OE1 3.24Å; K325-E344 WeakPolarHBondContact CE-OE1 3.36Å; K325-E344 WeakPolarHBondContact CE-OE2 3.33Å; K325-E344 HydrophobicContact CG-CG 4.42Å; K325-E344 PolarHBondContact N-O 3.45Å; K325-E344 IonicContact NZ-OE1 2.69Å; K325-E344 PolarHBondContact NZ-OE1 2.82Å; K325-E344 IonicContact NZ-OE2 3.81Å; S326-E344 PolarHBondContact N-O 2.93Å; S326-E344 PolarHBondContact O-N 2.78Å; S326-E344 VanDerWaalsContact OG-CB 3.25Å; S326-E344 WeakPolarHBondContact OG-CB 3.33Å; S326-E344 PolarHBondContact OG-OE2 2.89Å; E344-V370 HydrophobicContact CB-CG2 4.3Å; E344-V370 HydrophobicContact CG-CG2 4.16Å
345V85.4Confident65.5Low8 Ų895.5 Ų95.55%0.04848%0.479CS..EExtended strand (participates in β ladder)trans-112.4150.5178.2-63.10000110.6F322 K323 I343 E347 G369F322-V345 HydrophobicContact CB-CB 4Å; F322-V345 HydrophobicContact CB-CG1 3.67Å; F322-V345 HydrophobicContact CD1-CB 4.36Å; F322-V345 HydrophobicContact CD1-CG1 4.46Å; F322-V345 HydrophobicContact CD1-CG2 3.99Å; F322-V345 HydrophobicContact CG-CG1 4.2Å; K323-V345 CarbonylContact O-C 3.55Å; K323-V345 VanDerWaalsContact O-CA 3.28Å; K323-V345 WeakPolarHBondContact O-CA 3.18Å; I343-V345 HydrophobicContact CD1-CG1 3.98Å; I343-V345 HydrophobicContact CG1-CG1 4.39Å; V345-E347 PolarHBondContact O-N 3.07Å; V345-G369 VanDerWaalsContact CG2-O 3.25Å; V345-G369 WeakPolarHBondContact CG2-O 3.25Å; V345-G369 PolarHBondContact N-O 3.05Å
346V79.5Confident63.8Low87 Ų87102 Ų10253%0.52751%0.513SS..  trans-68.9121.7177.5-177.30000109.5K323 K325K323-V346 HydrophobicContact CB-CB 4.35Å; K323-V346 HydrophobicContact CB-CG2 4.15Å; K323-V346 PolarHBondContact O-N 3.06Å; K325-V346 HydrophobicContact CB-CG2 4.1Å
347E60.4Low61.7Low102 Ų102103.2 Ų103.248%0.47751%0.512SS..  trans-65.7138.1177.7-84.8-176.8167.800112.1V345 N349 G369V345-E347 PolarHBondContact O-N 3.07Å; E347-N349 PolarHBondContact O-N 3.11Å; E347-G369 PolarHBondContact OE1-N 3.05Å
348R54.2Low59.6Low245 Ų245109.7 Ų109.793%0.92553%0.534SS*.  trans-92.669.2-172.5-166.2-177.2-168168.74.3110.9
349N39.4Very low58.1Low125 Ų125106.2 Ų106.267%0.66854%0.535SS*.  trans-75.1135.1179.1-74.1-8.3000112.7E347E347-N349 PolarHBondContact O-N 3.11Å
350D36.1Very low55.8Low129 Ų129111.9 Ų111.969%0.6957%0.567SS**  trans55.179.4152-58.9-52.1000120.3
351I35.2Very low53.3Low165 Ų165120.6 Ų120.685%0.84661%0.607SS**SBend-129.4151120.5-57.1-175.9000107.2
352C34Very low50.6Low120 Ų120130.9 Ų130.981%0.81165%0.652SS**  trans88.742.4179.9-58.60000118.8G354C352-G354 VanDerWaalsContact C-N 3.33Å; C352-G354 PolarHBondContact O-N 3.36Å; C352-G354 VanDerWaalsContact O-N 3.13Å
353R34.5Very low48.4Very low249 Ų249137 Ų13794%0.9468%0.678SS**  trans-71.688.6144.9-102.8-167.6177.9-130.84.5108.9
354G33.6Very low45.9Very low63 Ų63140.7 Ų140.765%0.64970%0.703SS**  trans177.427.5-174.700000122C352C352-G354 VanDerWaalsContact C-N 3.33Å; C352-G354 PolarHBondContact O-N 3.36Å; C352-G354 VanDerWaalsContact O-N 3.13Å
355T32.6Very low43.8Very low150 Ų150145.1 Ų145.192%0.9272%0.721SS**  trans-155.5145.1154.719.30000111.6
356L40.9Very low42Very low161 Ų161147.5 Ų147.584%0.84374%0.736SS**  trans-90.2168.6173.2-104.7162.5000111.2
357F34.7Very low40.2Very low166 Ų166152.6 Ų152.673%0.72875%0.745SS**  trans86.2112.7168.6-94.2-124.3000121.1
358R36.5Very low39.8Very low221 Ų221155 Ų15583%0.83476%0.756SS**  trans86.6152.2143.4-70.9-170.9175.3-149.1-2.5120.3
359P52.9Low40.4Very low109 Ų109143.6 Ų143.671%0.70872%0.715SS**  trans-134.8-172-14342.8-23.7000115.6
360L39.7Very low42.3Very low166 Ų166140.9 Ų140.987%0.86970%0.703SS**  trans67.682.1174.9-85.574.1000116.2
361Q36.2Very low44.7Very low188 Ų188135.6 Ų135.688%0.87967%0.674SS**  trans-134.1165.9138.6-121.2172-300110
362F33.6Very low47.3Very low216 Ų216128.3 Ų128.395%0.94764%0.637SS**  trans-75.1157.9-153-95-115.1000115.7C364F362-C364 PolarHBondContact O-N 3.04Å
363F40.8Very low50.1Low153 Ų153122.6 Ų122.667%0.67160%0.599SS**  trans-74.1119.8-173.8-89.8-122.8000113.3K365F363-K365 HydrophobicContact CD1-CD 4.4Å; F363-K365 HydrophobicContact CD1-CG 4.43Å; F363-K365 HydrophobicContact CE1-CD 4.17Å
364C37.8Very low52.8Low79 Ų79112.3 Ų112.353%0.53456%0.561SS.*  trans-131.367.8144.5-90.60000110.3F362 V366F362-C364 PolarHBondContact O-N 3.04Å; C364-V366 VanDerWaalsContact C-N 3.31Å; C364-V366 PolarHBondContact O-N 3.41Å
365K42.1Very low55.5Low145 Ų145109.4 Ų109.463%0.6353%0.531SS*.  trans-73.884.7171.8-81-173.6173.6176.60110.4F363 R367F363-K365 HydrophobicContact CD1-CD 4.4Å; F363-K365 HydrophobicContact CD1-CG 4.43Å; F363-K365 HydrophobicContact CE1-CD 4.17Å; K365-R367 PolarHBondContact O-N 3.04Å
366V47.7Very low58.1Low59 Ų59106.9 Ų106.936%0.35851%0.511SS..  trans-65.984.9164.9-176.60000108C364 H368C364-V366 VanDerWaalsContact C-N 3.31Å; C364-V366 PolarHBondContact O-N 3.41Å; V366-H368 PolarHBondContact O-N 2.95Å
367R42.4Very low60.2Low193 Ų193101 Ų10173%0.72848%0.484SS*.THydrogen-bonded Turntrans-92.711.4-162.5-145.2178.4-174.9-177.9-1.3114.8K365K365-R367 PolarHBondContact O-N 3.04Å
368H50.8Low62.5Low153 Ų15396.2 Ų96.271%0.70846%0.464SS*.THydrogen-bonded Turntrans-157.419.7-170.7-66.393.3000112.7V366 V370V366-H368 PolarHBondContact O-N 2.95Å; H368-V370 PolarHBondContact O-N 3.35Å
369G67.3Low64.5Low5 Ų588 Ų885%0.05244%0.441CS..SBendtrans59.1-9.5-173.300000118.7V345 E347V345-G369 VanDerWaalsContact CG2-O 3.25Å; V345-G369 WeakPolarHBondContact CG2-O 3.25Å; V345-G369 PolarHBondContact N-O 3.05Å; E347-G369 PolarHBondContact OE1-N 3.05Å
370V79.8Confident66Low68 Ų6884.3 Ų84.341%0.41242%0.415SS..EExtended strand (participates in β ladder)trans-103.1131.6-175.7179.40000112.2D342 I343 E344 H368D342-V370 HydrophobicContact CB-CG1 4.02Å; I343-V370 WeakPolarHBondContact O-CA 3.5Å; E344-V370 HydrophobicContact CB-CG2 4.3Å; E344-V370 HydrophobicContact CG-CG2 4.16Å; H368-V370 PolarHBondContact O-N 3.35Å
371M86.8Confident68.3Low19 Ų1976.6 Ų76.69%0.09437%0.374CS..EExtended strand (participates in β ladder)trans-123.2129.1176.8-178.2158.467.800111V274 F298 M300 F322 I343 L373V274-M371 HydrophobicContact CG1-CG 3.78Å; V274-M371 HydrophobicContact CG1-SD 3.51Å; V274-M371 VanDerWaalsContact CG1-SD 3.51Å; F298-M371 HydrophobicContact CD1-CE 4.48Å; F298-M371 HydrophobicContact CE1-CE 3.92Å; M300-M371 HydrophobicContact SD-CE 4.04Å; M300-M371 HydrophobicContact SD-SD 4.25Å; F322-M371 HydrophobicContact CE2-CE 4.22Å; I343-M371 HydrophobicContact CD1-CE 3.94Å; I343-M371 HydrophobicContact CG1-CB 4.14Å; I343-M371 PolarHBondContact N-O 2.78Å; I343-M371 PolarHBondContact O-N 2.59Å; M371-L373 HydrophobicContact CG-CD2 4.35Å
372T89.1Confident70.5Confident11 Ų1173.5 Ų73.57%0.06735%0.354CS..EExtended strand (participates in β ladder)trans-93.1130.5-179.8-55.40000111Q275 W284 R330 I335 D342Q275-T372 HydrophobicContact CB-CG2 4.43Å; Q275-T372 PolarHBondContact N-O 2.88Å; W284-T372 HydrophobicContact CH2-CG2 3.89Å; W284-T372 HydrophobicContact CZ3-CG2 4.49Å; R330-T372 VanDerWaalsContact NH1-CG2 3.35Å; R330-T372 PolarHBondContact NH1-OG1 3.11Å; R330-T372 PolarHBondContact NH2-OG1 3.22Å; I335-T372 HydrophobicContact CD1-CG2 4.24Å; D342-T372 VanDerWaalsContact OD1-CA 3.29Å; D342-T372 WeakPolarHBondContact OD1-CA 3.38Å; D342-T372 VanDerWaalsContact OD1-CB 3.26Å; D342-T372 WeakPolarHBondContact OD1-CB 3.11Å; D342-T372 WeakPolarHBondContact OD1-CG2 3.24Å; D342-T372 PolarHBondContact OD1-OG1 2.91Å
373L91.6Very high72.9Confident0 Ų065.5 Ų65.50%032%0.321CS..EExtended strand (participates in β ladder)trans-122.3151.5-175.5-60.8173.7000110.4L272 Y273 V274 F298 C340 F341 I343 M371L272-L373 HydrophobicContact CD1-CB 4.49Å; L272-L373 HydrophobicContact CD1-CD1 4.06Å; Y273-L373 CarbonylContact O-C 3.57Å; Y273-L373 WeakPolarHBondContact O-CA 3.35Å; V274-L373 HydrophobicContact CB-CD2 4.23Å; V274-L373 HydrophobicContact CG1-CD2 4.1Å; V274-L373 HydrophobicContact CG2-CD2 3.69Å; F298-L373 HydrophobicContact CE2-CD1 4.17Å; F298-L373 HydrophobicContact CZ-CD1 3.78Å; C340-L373 CarbonylContact C-O 3.56Å; C340-L373 WeakPolarHBondContact CA-O 3.26Å; F341-L373 HydrophobicContact CD1-CB 4.35Å; F341-L373 HydrophobicContact CD2-CB 4.19Å; F341-L373 HydrophobicContact CD2-CD1 4.39Å; F341-L373 HydrophobicContact CE1-CB 3.94Å; F341-L373 HydrophobicContact CE2-CB 3.76Å; F341-L373 HydrophobicContact CE2-CD1 3.53Å; F341-L373 HydrophobicContact CE2-CG 4.23Å; F341-L373 HydrophobicContact CG-CB 4.49Å; F341-L373 HydrophobicContact CZ-CB 3.63Å; F341-L373 HydrophobicContact CZ-CD1 3.85Å; F341-L373 HydrophobicContact CZ-CG 4.39Å; F341-L373 PolarHBondContact N-O 2.73Å; F341-L373 PolarHBondContact O-N 2.66Å; F341-L373 VanDerWaalsContact O-O 3.08Å; I343-L373 HydrophobicContact CB-CD1 4.45Å; I343-L373 HydrophobicContact CD1-CD1 3.71Å; I343-L373 HydrophobicContact CG1-CD1 3.71Å; I343-L373 HydrophobicContact CG1-CG 4.4Å; I343-L373 HydrophobicContact CG2-CD1 3.98Å; M371-L373 HydrophobicContact CG-CD2 4.35Å
374Q91.6Very high75.1Confident34 Ų3458.2 Ų58.216%0.15929%0.289CS..EExtended strand (participates in β ladder)trans-128.9123.7174.7169.6173.539.700109.8Y273 W284 R338Y273-Q374 PolarHBondContact N-O 3.36Å; Y273-Q374 PolarHBondContact O-N 2.8Å; W284-Q374 HydrophobicContact CE3-CB 4.18Å; W284-Q374 HydrophobicContact CH2-CB 4.2Å; W284-Q374 HydrophobicContact CZ3-CB 3.65Å; R338-Q374 WeakPolarHBondContact O-CG 3.48Å; R338-Q374 PolarHBondContact O-NE2 2.96Å
375A90.4Very high77.4Confident2 Ų254.6 Ų54.62%0.01726%0.264CS..  trans-84.6162.8173.300000112.4L272 F339 F341 N380 R381L272-A375 HydrophobicContact CD2-CB 4.08Å; F339-A375 HydrophobicContact CB-CB 4.35Å; F339-A375 PolarHBondContact O-N 3.49Å; F341-A375 HydrophobicContact CE1-CB 4.27Å; A375-N380 HydrophobicContact CB-CB 4.35Å; A375-R381 HydrophobicContact CB-CB 3.92Å
376L88.1Confident79.4Confident96 Ų9654.2 Ų54.250%0.50327%0.265SS..SBendtrans-74.2-30.7-177-52.8179.6000113.5F271 Y273F271-L376 HydrophobicContact CB-CD1 4.44Å; Y273-L376 HydrophobicContact CD2-CD2 4.3Å; Y273-L376 HydrophobicContact CE2-CD2 3.96Å
377S84.7Confident81.2Confident38 Ų3851.9 Ų51.927%0.26625%0.252SS..SBendtrans-144.5171.5-178.872.60000110.8S379 N380 R381S377-S379 PolarHBondContact OG-OG 3.37Å; S377-N380 WeakPolarHBondContact OG-CB 3.49Å; S377-N380 PolarHBondContact OG-N 3.24Å; S377-N380 VanDerWaalsContact OG-N 3.09Å; S377-R381 PolarHBondContact O-N 3.23Å
378E81.9Confident83.3Confident65 Ų6542.9 Ų42.930%0.30422%0.218SC..Hα-helixtrans-72.8-35.1175.7-145.2-153.6134.400113.2F339 R381 R382F339-E378 HydrophobicContact CD1-CB 3.83Å; F339-E378 HydrophobicContact CD1-CG 3.93Å; F339-E378 HydrophobicContact CE1-CB 3.69Å; F339-E378 HydrophobicContact CE1-CG 4.1Å; E378-R381 WeakPolarHBondContact O-CB 3.28Å; E378-R381 PolarHBondContact O-N 3.43Å; E378-R381 IonicContact OE1-CZ 3.17Å; E378-R381 IonicContact OE1-NH2 3.38Å; E378-R381 PolarHBondContact OE1-NH2 2.79Å; E378-R382 WeakPolarHBondContact O-CG 3.47Å; E378-R382 PolarHBondContact O-N 3.14Å; E378-R382 IonicContact OE1-CZ 3.91Å; E378-R382 IonicContact OE1-NE 3.4Å; E378-R382 PolarHBondContact OE1-NE 2.98Å; E378-R382 VanDerWaalsContact OE1-NE 3.07Å; E378-R382 IonicContact OE1-NH2 2.75Å; E378-R382 PolarHBondContact OE1-NH2 2.9Å; E378-R382 IonicContact OE2-NH2 3.18Å; E378-R382 PolarHBondContact OE2-NH2 3.23Å
379S79.1Confident84.9Confident50 Ų5040 Ų4035%0.3521%0.208SC..Hα-helixtrans-59.9-49172.249.90000110.6S377 R381 R382 L383S377-S379 PolarHBondContact OG-OG 3.37Å; S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 3.04Å; S379-R382 PolarHBondContact O-N 2.99Å; S379-R382 VanDerWaalsContact O-N 3.1Å; S379-L383 VanDerWaalsContact O-CG 3.27Å; S379-L383 WeakPolarHBondContact O-CG 3.44Å; S379-L383 PolarHBondContact O-N 3.01Å
380N84.8Confident85.5Confident31 Ų3140.6 Ų40.617%0.16621%0.214CC..Hα-helixtrans-56.9-44.3175.7-168.7-18.5000111.4A375 S377 R382 L383 W384A375-N380 HydrophobicContact CB-CB 4.35Å; S377-N380 WeakPolarHBondContact OG-CB 3.49Å; S377-N380 PolarHBondContact OG-N 3.24Å; S377-N380 VanDerWaalsContact OG-N 3.09Å; N380-R382 PolarHBondContact O-N 3.44Å; N380-L383 PolarHBondContact O-N 3.22Å; N380-W384 VanDerWaalsContact O-CD1 3.25Å; N380-W384 PolarHBondContact O-N 3.35Å; N380-W384 PolarHBondContact OD1-NE1 2.84Å
381R87.1Confident85.2Confident3 Ų345.1 Ų45.11%0.01123%0.228CC..Hα-helixtrans-57.8-47172.9-177.7-160.56079.7-2.8112.9F339 F341 A375 S377 E378 S379 L383 W384 L385 E392F339-R381 HydrophobicContact CB-CB 4.29Å; F341-R381 HydrophobicContact CD1-CG 4.25Å; A375-R381 HydrophobicContact CB-CB 3.92Å; S377-R381 PolarHBondContact O-N 3.23Å; E378-R381 WeakPolarHBondContact O-CB 3.28Å; E378-R381 PolarHBondContact O-N 3.43Å; E378-R381 IonicContact OE1-CZ 3.17Å; E378-R381 IonicContact OE1-NH2 3.38Å; E378-R381 PolarHBondContact OE1-NH2 2.79Å; S379-R381 VanDerWaalsContact C-N 3.34Å; S379-R381 PolarHBondContact O-N 3.04Å; R381-L383 VanDerWaalsContact C-N 3.34Å; R381-W384 PolarHBondContact O-N 2.8Å; R381-L385 HydrophobicContact CG-CD1 4.03Å; R381-L385 PolarHBondContact O-N 2.92Å; R381-L385 VanDerWaalsContact O-N 3.1Å; R381-E392 IonicContact CZ-OE1 3.18Å; R381-E392 IonicContact NH1-OE1 2.72Å; R381-E392 PolarHBondContact NH1-OE1 3.29Å; R381-E392 IonicContact NH2-OE1 2.97Å; R381-E392 PolarHBondContact NH2-OE1 3.04Å; R381-E392 VanDerWaalsContact NH2-OE1 3.08Å
382R83Confident83.8Confident124 Ų12448 Ų4847%0.46824%0.241SC..Hα-helixtrans-61.2-45.6179.2-69177.1-156.9151.32.7110.5E378 S379 N380 W384 L385 E386E378-R382 WeakPolarHBondContact O-CG 3.47Å; E378-R382 PolarHBondContact O-N 3.14Å; E378-R382 IonicContact OE1-CZ 3.91Å; E378-R382 IonicContact OE1-NE 3.4Å; E378-R382 PolarHBondContact OE1-NE 2.98Å; E378-R382 VanDerWaalsContact OE1-NE 3.07Å; E378-R382 IonicContact OE1-NH2 2.75Å; E378-R382 PolarHBondContact OE1-NH2 2.9Å; E378-R382 IonicContact OE2-NH2 3.18Å; E378-R382 PolarHBondContact OE2-NH2 3.23Å; S379-R382 PolarHBondContact O-N 2.99Å; S379-R382 VanDerWaalsContact O-N 3.1Å; N380-R382 PolarHBondContact O-N 3.44Å; R382-W384 PolarHBondContact O-N 2.97Å; R382-L385 PolarHBondContact O-N 3.12Å; R382-L385 VanDerWaalsContact O-N 3.16Å; R382-E386 WeakPolarHBondContact O-CB 3.24Å; R382-E386 PolarHBondContact O-N 2.97Å
383L84.6Confident81.7Confident47 Ų4752.4 Ų52.425%0.24627%0.27CS..Hα-helixtrans-62.8-37.7179.2-66.6164.8000113M268 S379 N380 R381 A387M268-L383 HydrophobicContact SD-CB 4.24Å; S379-L383 VanDerWaalsContact O-CG 3.27Å; S379-L383 WeakPolarHBondContact O-CG 3.44Å; S379-L383 PolarHBondContact O-N 3.01Å; N380-L383 PolarHBondContact O-N 3.22Å; R381-L383 VanDerWaalsContact C-N 3.34Å; L383-A387 WeakPolarHBondContact O-CB 3.4Å; L383-A387 PolarHBondContact O-N 3.35Å
384W87.3Confident78.8Confident0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-66-42.7171.8-84.6103.4000112.5M268 L272 C289 F298 F341 N380 R381 R382 M388M268-W384 HydrophobicContact CB-CD2 4.42Å; M268-W384 HydrophobicContact CB-CE3 3.99Å; M268-W384 HydrophobicContact CB-CH2 4.31Å; M268-W384 HydrophobicContact CB-CZ3 3.95Å; M268-W384 HydrophobicContact CG-CD2 3.48Å; M268-W384 VanDerWaalsContact CG-CD2 3.48Å; M268-W384 HydrophobicContact CG-CE3 3.56Å; M268-W384 HydrophobicContact CG-CG 4.07Å; M268-W384 HydrophobicContact CG-CH2 3.95Å; M268-W384 HydrophobicContact CG-CZ2 3.87Å; M268-W384 HydrophobicContact CG-CZ3 3.8Å; L272-W384 HydrophobicContact CD1-CD2 4.08Å; L272-W384 HydrophobicContact CD1-CE3 4.37Å; L272-W384 HydrophobicContact CD1-CH2 4.25Å; L272-W384 HydrophobicContact CD1-CZ2 3.95Å; L272-W384 HydrophobicContact CD1-CZ3 4.44Å; L272-W384 HydrophobicContact CD2-CG 4.46Å; L272-W384 HydrophobicContact CG-CZ2 4.12Å; C289-W384 HydrophobicContact CB-CH2 3.9Å; C289-W384 HydrophobicContact CB-CZ2 4.34Å; C289-W384 WeakPolarHBondContact O-CH2 3.36Å; F298-W384 HydrophobicContact CD2-CZ3 4.47Å; F298-W384 HydrophobicContact CE2-CZ3 4.07Å; F341-W384 HydrophobicContact CE1-CB 4.29Å; F341-W384 HydrophobicContact CZ-CB 3.98Å; F341-W384 HydrophobicContact CZ-CG 4.2Å; N380-W384 VanDerWaalsContact O-CD1 3.25Å; N380-W384 PolarHBondContact O-N 3.35Å; N380-W384 PolarHBondContact OD1-NE1 2.84Å; R381-W384 PolarHBondContact O-N 2.8Å; R382-W384 PolarHBondContact O-N 2.97Å; W384-M388 HydrophobicContact CB-CE 4.01Å; W384-M388 HydrophobicContact CD2-CE 4.36Å; W384-M388 HydrophobicContact CE3-CE 3.65Å; W384-M388 HydrophobicContact CE3-SD 4.23Å; W384-M388 WeakPolarHBondContact O-CB 3.25Å; W384-M388 WeakPolarHBondContact O-CE 3.38Å; W384-M388 WeakPolarHBondContact O-CG 3.5Å; W384-M388 PolarHBondContact O-N 2.81Å
385L86.1Confident75.8Confident3 Ų368.3 Ų68.32%0.01634%0.339CS..Hα-helixtrans-64-47.1176.4-76157.1000111.3R329 F341 R381 R382 A387 M388 D389 G390 E392R329-L385 HydrophobicContact CB-CD1 4.08Å; F341-L385 HydrophobicContact CB-CD2 4.41Å; R381-L385 HydrophobicContact CG-CD1 4.03Å; R381-L385 PolarHBondContact O-N 2.92Å; R381-L385 VanDerWaalsContact O-N 3.1Å; R382-L385 PolarHBondContact O-N 3.12Å; R382-L385 VanDerWaalsContact O-N 3.16Å; L385-A387 PolarHBondContact O-N 2.81Å; L385-M388 CarbonylContact O-C 3.58Å; L385-M388 PolarHBondContact O-N 3.16Å; L385-M388 VanDerWaalsContact O-N 3.15Å; L385-D389 PolarHBondContact O-N 3.4Å; L385-D389 VanDerWaalsContact O-N 3.11Å; L385-G390 WeakPolarHBondContact O-CA 3.43Å; L385-G390 PolarHBondContact O-N 3.04Å; L385-E392 HydrophobicContact CD1-CG 4.47Å
386E84.1Confident72.8Confident138 Ų13874.8 Ų74.865%0.64537%0.374SS*.Hα-helixtrans-58-45.6177.4-176.4-176.4-177.300112.2K293 R382 M388K293-E386 PolarHBondContact NZ-O 3.08Å; R382-E386 WeakPolarHBondContact O-CB 3.24Å; R382-E386 PolarHBondContact O-N 2.97Å; E386-M388 VanDerWaalsContact C-N 3.34Å; E386-M388 PolarHBondContact O-N 3.17Å
387A85Confident69.8Low10 Ų1078.4 Ų78.48%0.08339%0.393CS..Hα-helixtrans-59.2-45.5174.700000111.7T267 M268 Y291 K293 L383 L385 D389T267-A387 HydrophobicContact CG2-CB 4.37Å; M268-A387 HydrophobicContact CB-CB 3.68Å; M268-A387 HydrophobicContact CG-CB 4.33Å; Y291-A387 HydrophobicContact CD1-CB 4.37Å; Y291-A387 WeakPolarHBondContact CE1-O 3.49Å; K293-A387 WeakPolarHBondContact CD-O 3.25Å; K293-A387 PolarHBondContact NZ-O 3.39Å; K293-A387 VanDerWaalsContact NZ-O 3.17Å; L383-A387 WeakPolarHBondContact O-CB 3.4Å; L383-A387 PolarHBondContact O-N 3.35Å; L385-A387 PolarHBondContact O-N 2.81Å; A387-D389 PolarHBondContact O-N 2.91Å
388M87.1Confident67.2Low4 Ų482.2 Ų82.22%0.0242%0.416CS..THydrogen-bonded Turntrans-89.317.4-174-70-169.7-68.100115.3Y291 F298 L324 C327 F341 I343 W384 L385 E386 G390Y291-M388 HydrophobicContact CD1-CG 3.69Å; Y291-M388 HydrophobicContact CD2-CG 3.92Å; Y291-M388 HydrophobicContact CD2-SD 4.15Å; Y291-M388 HydrophobicContact CE1-CB 4.42Å; Y291-M388 HydrophobicContact CE1-CG 3.74Å; Y291-M388 HydrophobicContact CE2-CG 3.97Å; Y291-M388 HydrophobicContact CG-CG 3.78Å; Y291-M388 HydrophobicContact CG-SD 4.27Å; F298-M388 HydrophobicContact CD2-SD 4.07Å; F298-M388 HydrophobicContact CE2-SD 4.44Å; L324-M388 HydrophobicContact CD1-SD 4.43Å; L324-M388 HydrophobicContact CD2-CB 3.65Å; L324-M388 HydrophobicContact CD2-CG 3.85Å; L324-M388 HydrophobicContact CD2-SD 4.11Å; C327-M388 HydrophobicContact CB-CB 3.9Å; F341-M388 HydrophobicContact CD2-CE 4.36Å; F341-M388 HydrophobicContact CE2-CE 3.49Å; F341-M388 VanDerWaalsContact CE2-CE 3.49Å; F341-M388 HydrophobicContact CZ-CE 4.06Å; I343-M388 HydrophobicContact CG2-CE 4.02Å; I343-M388 HydrophobicContact CG2-SD 4Å; W384-M388 HydrophobicContact CB-CE 4.01Å; W384-M388 HydrophobicContact CD2-CE 4.36Å; W384-M388 HydrophobicContact CE3-CE 3.65Å; W384-M388 HydrophobicContact CE3-SD 4.23Å; W384-M388 WeakPolarHBondContact O-CB 3.25Å; W384-M388 WeakPolarHBondContact O-CE 3.38Å; W384-M388 WeakPolarHBondContact O-CG 3.5Å; W384-M388 PolarHBondContact O-N 2.81Å; L385-M388 CarbonylContact O-C 3.58Å; L385-M388 PolarHBondContact O-N 3.16Å; L385-M388 VanDerWaalsContact O-N 3.15Å; E386-M388 VanDerWaalsContact C-N 3.34Å; E386-M388 PolarHBondContact O-N 3.17Å; M388-G390 PolarHBondContact O-N 2.56Å
389D83.5Confident64.8Low93 Ų9383.8 Ų83.850%0.49744%0.441SS..THydrogen-bonded Turntrans52.534.8-176.8-62.5-45.6000113.3K293 L385 A387K293-D389 WeakPolarHBondContact CE-OD1 3.49Å; K293-D389 VanDerWaalsContact CE-OD2 3.26Å; K293-D389 WeakPolarHBondContact CE-OD2 3.36Å; K293-D389 IonicContact NZ-OD1 3.37Å; K293-D389 PolarHBondContact NZ-OD1 3.41Å; K293-D389 IonicContact NZ-OD2 3.91Å; L385-D389 PolarHBondContact O-N 3.4Å; L385-D389 VanDerWaalsContact O-N 3.11Å; A387-D389 PolarHBondContact O-N 2.91Å
390G79.8Confident62.5Low17 Ų1789.5 Ų89.518%0.17547%0.465CS..PPolyproline II helixtrans-78.3140.2-170.500000113.9C327 L385 M388C327-G390 VanDerWaalsContact O-CA 3.23Å; C327-G390 WeakPolarHBondContact O-CA 3.38Å; L385-G390 WeakPolarHBondContact O-CA 3.43Å; L385-G390 PolarHBondContact O-N 3.04Å; M388-G390 PolarHBondContact O-N 2.56Å
391K74.6Confident59.8Low162 Ų16295.8 Ų95.870%0.70450%0.498SS*.BIsolated β-bridgetrans-83.9119.9-173.4-60.9-176.3-179.2-178.40112.2C327 R329C327-K391 PolarHBondContact O-N 3.03Å; C327-K391 VanDerWaalsContact O-N 3.09Å; R329-K391 PolarHBondContact N-O 2.88Å
392E57.4Low57.4Low79 Ų79100.1 Ų100.137%0.36953%0.529SS..PPolyproline II helixtrans-99158.3163.9-69-135.1113.600111.5R329 R381 L385R329-E392 WeakPolarHBondContact CD-OE1 3.29Å; R329-E392 IonicContact CZ-OE1 3.92Å; R329-E392 IonicContact NE-OE1 2.64Å; R329-E392 IonicContact NH1-OE1 3.09Å; R329-E392 PolarHBondContact NH1-OE1 3.23Å; R381-E392 IonicContact CZ-OE1 3.18Å; R381-E392 IonicContact NH1-OE1 2.72Å; R381-E392 PolarHBondContact NH1-OE1 3.29Å; R381-E392 IonicContact NH2-OE1 2.97Å; R381-E392 PolarHBondContact NH2-OE1 3.04Å; R381-E392 VanDerWaalsContact NH2-OE1 3.08Å; L385-E392 HydrophobicContact CD1-CG 4.47Å
393P43.9Very low55.1Low104 Ų104103.8 Ų103.868%0.67555%0.548SS*.PPolyproline II helixtrans-62129.4158.7-16.331.3000109.9
394I31.2Very low52.8Low136 Ų136108.1 Ų108.170%0.69757%0.565SS**PPolyproline II helixtrans-70.4131.6-163.6-58.3165.8000112.9N396I394-N396 WeakPolarHBondContact CG2-OD1 3.48Å
395Y27.3Very low50.6Low233 Ų233116.2 Ų116.291%0.91460%0.603SS**  trans-137.8140.8145.9-83.3-80.6000109.2
396N28.7Very low48.8Very low138 Ų138124.8 Ų124.874%0.73864%0.643SS**  trans-99.6152.6-175.1-61.1-28.5000111.8I394I394-N396 WeakPolarHBondContact CG2-OD1 3.48Å
397L25Very low47.3Very low172 Ų172121 Ų12190%0.90163%0.629SS**  trans-161.7161.9136.1-122.678.2000108.8
398P29.6Very low46.4Very low117 Ų117126.2 Ų126.276%0.7665%0.647SS**PPolyproline II helixtrans-97.8172.2-157.638.6-38.6000116.3
399A32.8Very low45.9Very low99 Ų99128 Ų12882%0.81866%0.657SS**PPolyproline II helixtrans-69.8151.9176.200000113.9
400I29Very low45.8Very low170 Ų170127.1 Ų127.187%0.87265%0.652SS**PPolyproline II helixtrans-103.5134.6172.2-66.7177.2000109.6
401L28.9Very low45.9Very low162 Ų162130.2 Ų130.285%0.84866%0.662SS**PPolyproline II helixtrans-85.1150.2-175.6-89.4159.9000113.9
402S35.7Very low46.2Very low95 Ų95124.2 Ų124.266%0.66464%0.643SS**  trans13.3110151.5-161.20000119.1
403K35.6Very low47.5Very low200 Ų200120.5 Ų120.587%0.8763%0.626SS**  trans-135.9109.3136.4-80.5-164.8172.2-165.40108
404K37.1Very low49.7Very low139 Ų139116 Ų11660%0.60460%0.595SS**  trans-150-8.7-179.4-135.2-179.9-178.3-176.70117.4E406 T407 Y408K404-E406 PolarHBondContact O-N 2.74Å; K404-T407 PolarHBondContact O-OG1 3.03Å; K404-Y408 VanDerWaalsContact O-CE2 3.27Å; K404-Y408 WeakPolarHBondContact O-CE2 3.41Å
405E39.8Very low52.3Low170 Ų170111 Ų11179%0.79457%0.57SS**G310 helixtrans-78.9-16.7-170.2-67.2179.3125.700114.7T407E405-T407 PolarHBondContact O-N 2.95Å
406E48.4Very low55.2Low183 Ų183100.1 Ų100.186%0.85553%0.528SS*.G310 helixtrans-7612-175.4-62.3-180141.100115K404K404-E406 PolarHBondContact O-N 2.74Å
407T52.9Low58.2Low57 Ų5793.6 Ų93.635%0.3549%0.493SS..G310 helixtrans-136.79.7-170.346.60000116.5K404 E405 S484K404-T407 PolarHBondContact O-OG1 3.03Å; E405-T407 PolarHBondContact O-N 2.95Å; T407-S484 WeakPolarHBondContact O-CB 3.26Å; T407-S484 PolarHBondContact O-N 2.8Å; T407-S484 PolarHBondContact O-OG 3.45Å; T407-S484 VanDerWaalsContact O-OG 3.09Å; T407-S484 WeakPolarHBondContact OG1-CB 3.39Å
408Y65.5Low61.4Low120 Ų12090.1 Ų90.147%0.47147%0.468SS..SBendtrans-88.7161.1175.8-65.7-75.5000113.1K404 N410K404-Y408 VanDerWaalsContact O-CE2 3.27Å; K404-Y408 WeakPolarHBondContact O-CE2 3.41Å; Y408-N410 PolarHBondContact O-N 2.69Å
409L78.1Confident64.2Low41 Ų4186.5 Ų86.522%0.21544%0.44CS..  trans-61.3127.6169-8597.8000110F414 L483 L487 M526L409-F414 HydrophobicContact CD2-CE2 4.18Å; L409-L483 HydrophobicContact CD1-CD1 4.02Å; L409-L483 HydrophobicContact CD1-CD2 4.41Å; L409-L483 HydrophobicContact CG-CD1 4.4Å; L409-L483 HydrophobicContact CG-CD2 4.36Å; L409-L487 HydrophobicContact CD1-CD1 4.37Å; L409-L487 HydrophobicContact CD2-CD1 3.94Å; L409-M526 HydrophobicContact CD2-CB 3.96Å; L409-M526 HydrophobicContact CD2-CE 4.08Å; L409-M526 HydrophobicContact CD2-CG 4.38Å; L409-M526 HydrophobicContact CD2-SD 3.65Å; L409-M526 HydrophobicContact CG-SD 4.44Å
410N81Confident67Low76 Ų7681.8 Ų81.841%0.40640%0.401SS..  trans-142.8167.6-178.364.619.2000111Y408 A412 G413 F414Y408-N410 PolarHBondContact O-N 2.69Å; N410-A412 VanDerWaalsContact C-N 3.29Å; N410-A412 PolarHBondContact O-N 2.93Å; N410-G413 WeakPolarHBondContact O-CA 3.22Å; N410-G413 PolarHBondContact O-N 3.22Å; N410-G413 PolarHBondContact OD1-N 2.97Å; N410-F414 PolarHBondContact O-N 3Å; N410-F414 VanDerWaalsContact O-N 3.15Å
411E81.4Confident70Confident81 Ų8174.1 Ų74.138%0.37936%0.362SS..Hα-helixtrans-64-32.7-173.1-157.261.2-139.900113G413 F414 N415 R418 R522E411-G413 VanDerWaalsContact C-N 3.27Å; E411-G413 PolarHBondContact O-N 3.35Å; E411-F414 PolarHBondContact O-N 3.49Å; E411-N415 PolarHBondContact O-N 2.92Å; E411-R418 IonicContact OE1-CZ 3.93Å; E411-R418 IonicContact OE1-NH2 2.79Å; E411-R418 PolarHBondContact OE1-NH2 3.02Å; E411-R522 IonicContact OE2-NH1 3.58Å; E411-R522 PolarHBondContact OE2-NH1 2.96Å
412A80.9Confident73Confident37 Ų3770.6 Ų70.631%0.30634%0.344SS..Hα-helixtrans-60.7-37.6172.200000112N410 N415 F416 F452N410-A412 VanDerWaalsContact C-N 3.29Å; N410-A412 PolarHBondContact O-N 2.93Å; A412-N415 PolarHBondContact O-N 3.44Å; A412-F416 WeakPolarHBondContact O-CB 3.41Å; A412-F416 PolarHBondContact O-N 3.2Å; A412-F452 HydrophobicContact CB-CE1 4.41Å
413G85.3Confident75.6Confident0 Ų067 Ų670%032%0.317CS..Hα-helixtrans-63.8-44.3171.600000113.7N410 E411 F416 V417 Y479N410-G413 WeakPolarHBondContact O-CA 3.22Å; N410-G413 PolarHBondContact O-N 3.22Å; N410-G413 PolarHBondContact OD1-N 2.97Å; E411-G413 VanDerWaalsContact C-N 3.27Å; E411-G413 PolarHBondContact O-N 3.35Å; G413-F416 PolarHBondContact O-N 3.02Å; G413-V417 WeakPolarHBondContact O-CG2 3.37Å; G413-V417 PolarHBondContact O-N 3.37Å; G413-Y479 WeakPolarHBondContact CA-OH 3.42Å
414F88.4Confident78.3Confident9 Ų957.5 Ų57.54%0.03928%0.276CS..Hα-helixtrans-60.9-44.6173.3-85.5-93.7000111.9L409 N410 E411 V417 R418 R522 E525 M526L409-F414 HydrophobicContact CD2-CE2 4.18Å; N410-F414 PolarHBondContact O-N 3Å; N410-F414 VanDerWaalsContact O-N 3.15Å; E411-F414 PolarHBondContact O-N 3.49Å; F414-V417 PolarHBondContact O-N 3.39Å; F414-R418 WeakPolarHBondContact O-CB 3.44Å; F414-R418 WeakPolarHBondContact O-CG 3.46Å; F414-R418 PolarHBondContact O-N 3.43Å; F414-R522 HydrophobicContact CE2-CB 4.28Å; F414-R522 HydrophobicContact CZ-CB 4.25Å; F414-R522 VanDerWaalsContact CZ-O 3.31Å; F414-R522 WeakPolarHBondContact CZ-O 3.44Å; F414-E525 HydrophobicContact CE1-CB 3.81Å; F414-E525 HydrophobicContact CZ-CB 3.98Å; F414-E525 WeakPolarHBondContact CZ-OE2 3.22Å; F414-M526 HydrophobicContact CB-CE 4.37Å; F414-M526 HydrophobicContact CD1-CE 4.13Å; F414-M526 HydrophobicContact CD2-CE 3.76Å; F414-M526 HydrophobicContact CE1-CB 3.87Å; F414-M526 HydrophobicContact CE1-CE 4.43Å; F414-M526 HydrophobicContact CE2-CE 4.08Å; F414-M526 HydrophobicContact CG-CE 3.81Å; F414-M526 HydrophobicContact CZ-CB 3.9Å; F414-M526 HydrophobicContact CZ-CE 4.42Å
415N86.9Confident80.9Confident31 Ų3153.7 Ų53.717%0.16626%0.26CS..Hα-helixtrans-63.1-42.1176.3-72.9-4.7000112.2E411 A412 R418 K419 V458E411-N415 PolarHBondContact O-N 2.92Å; A412-N415 PolarHBondContact O-N 3.44Å; N415-R418 PolarHBondContact O-N 3.03Å; N415-R418 PolarHBondContact OD1-NE 3.19Å; N415-R418 PolarHBondContact OD1-NH2 3.33Å; N415-K419 WeakPolarHBondContact O-CG 3.42Å; N415-K419 PolarHBondContact O-N 3.5Å; N415-V458 PolarHBondContact ND2-O 3.34Å
416F88.4Confident83.3Confident6 Ų651.6 Ų51.63%0.02626%0.259CS..Hα-helixtrans-61.9-45.5175.2177.7-114.8000112.3A412 G413 C420 L447 M448 V451 F452 L462 Y479A412-F416 WeakPolarHBondContact O-CB 3.41Å; A412-F416 PolarHBondContact O-N 3.2Å; G413-F416 PolarHBondContact O-N 3.02Å; F416-C420 WeakPolarHBondContact CE2-SG 3.38Å; F416-C420 VanDerWaalsContact CZ-SG 3.53Å; F416-C420 WeakPolarHBondContact O-CB 3.45Å; F416-C420 PolarHBondContact O-N 3.27Å; F416-C420 PolarHBondContact O-SG 3.45Å; F416-L447 HydrophobicContact CE2-CD1 4.43Å; F416-L447 HydrophobicContact CE2-CD2 4.34Å; F416-L447 HydrophobicContact CE2-CG 4.28Å; F416-L447 HydrophobicContact CZ-CD2 4.38Å; F416-M448 HydrophobicContact CE1-SD 4.2Å; F416-M448 HydrophobicContact CZ-SD 4.17Å; F416-V451 HydrophobicContact CB-CG1 4.05Å; F416-V451 HydrophobicContact CD2-CB 4.26Å; F416-V451 HydrophobicContact CD2-CG1 3.71Å; F416-V451 HydrophobicContact CD2-CG2 3.9Å; F416-V451 HydrophobicContact CE2-CG1 4.47Å; F416-V451 HydrophobicContact CE2-CG2 4.02Å; F416-V451 HydrophobicContact CG-CG1 4.07Å; F416-F452 HydrophobicContact CB-CE2 4.44Å; F416-F452 HydrophobicContact CB-CZ 3.83Å; F416-F452 AromaticContact CD1-CE2 3.93Å; F416-F452 HydrophobicContact CD1-CE2 3.93Å; F416-F452 AromaticContact CD1-CZ 3.84Å; F416-F452 HydrophobicContact CD1-CZ 3.84Å; F416-F452 HydrophobicContact CE1-CE2 4.31Å; F416-F452 HydrophobicContact CG-CE2 4.04Å; F416-F452 AromaticContact CG-CZ 3.88Å; F416-F452 HydrophobicContact CG-CZ 3.88Å; F416-L462 HydrophobicContact CD2-CD1 4.31Å; F416-L462 HydrophobicContact CE2-CD1 4.33Å; F416-Y479 HydrophobicContact CD1-CD1 4.35Å; F416-Y479 HydrophobicContact CD1-CD2 4.5Å; F416-Y479 AromaticContact CD1-CG 3.99Å; F416-Y479 HydrophobicContact CD1-CG 3.99Å; F416-Y479 HydrophobicContact CE1-CG 4.25Å
417V90.9Very high85.1Confident0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-67.4-42.4179.3175.80000111.1G413 F414 C420 V421 L476 Y479 M526 L529G413-V417 WeakPolarHBondContact O-CG2 3.37Å; G413-V417 PolarHBondContact O-N 3.37Å; F414-V417 PolarHBondContact O-N 3.39Å; V417-C420 PolarHBondContact O-N 3.31Å; V417-V421 HydrophobicContact CG1-CG2 4.48Å; V417-V421 WeakPolarHBondContact O-CB 3.36Å; V417-V421 WeakPolarHBondContact O-CG2 3.37Å; V417-V421 PolarHBondContact O-N 2.98Å; V417-L476 HydrophobicContact CG1-CD1 4.31Å; V417-Y479 HydrophobicContact CG2-CD1 3.75Å; V417-Y479 HydrophobicContact CG2-CE1 3.93Å; V417-M526 HydrophobicContact CB-CE 4.45Å; V417-M526 HydrophobicContact CG2-CE 4.08Å; V417-M526 HydrophobicContact CG2-SD 4.28Å; V417-L529 HydrophobicContact CG1-CD1 4.43Å; V417-L529 HydrophobicContact CG1-CD2 3.82Å
418R91.6Very high86.6Confident100 Ų10043.9 Ų43.938%0.37722%0.216SC..Hα-helixtrans-52.9-61.3171.8-77.4-173.5-84.5-124.8-0.3111.1E411 F414 N415 C420 V421 D422 L529E411-R418 IonicContact OE1-CZ 3.93Å; E411-R418 IonicContact OE1-NH2 2.79Å; E411-R418 PolarHBondContact OE1-NH2 3.02Å; F414-R418 WeakPolarHBondContact O-CB 3.44Å; F414-R418 WeakPolarHBondContact O-CG 3.46Å; F414-R418 PolarHBondContact O-N 3.43Å; N415-R418 PolarHBondContact O-N 3.03Å; N415-R418 PolarHBondContact OD1-NE 3.19Å; N415-R418 PolarHBondContact OD1-NH2 3.33Å; R418-C420 VanDerWaalsContact C-N 3.26Å; R418-C420 PolarHBondContact O-N 3.21Å; R418-V421 WeakPolarHBondContact O-CA 3.28Å; R418-V421 WeakPolarHBondContact O-CB 3.18Å; R418-V421 PolarHBondContact O-N 3Å; R418-D422 VanDerWaalsContact O-CG 3.26Å; R418-D422 PolarHBondContact O-N 2.69Å; R418-L529 HydrophobicContact CG-CD1 3.78Å
419K88.9Confident87.8Confident40 Ų4039.1 Ų39.117%0.17420%0.198CC..Hα-helixtrans-62.8-28.7-177.3-63.2-172-175.5-168.90113.3N415 L423 D459 M460 L462N415-K419 WeakPolarHBondContact O-CG 3.42Å; N415-K419 PolarHBondContact O-N 3.5Å; K419-L423 WeakPolarHBondContact O-CB 3.25Å; K419-L423 VanDerWaalsContact O-CG 3.31Å; K419-L423 WeakPolarHBondContact O-CG 3.46Å; K419-L423 PolarHBondContact O-N 3.46Å; K419-D459 WeakPolarHBondContact CE-OD1 3.45Å; K419-D459 PolarHBondContact NZ-O 2.74Å; K419-D459 VanDerWaalsContact NZ-O 3.13Å; K419-D459 IonicContact NZ-OD1 2.69Å; K419-D459 PolarHBondContact NZ-OD1 3.09Å; K419-M460 WeakPolarHBondContact CD-O 3.42Å; K419-M460 PolarHBondContact NZ-O 3.07Å; K419-L462 HydrophobicContact CB-CD1 3.94Å; K419-L462 HydrophobicContact CB-CG 4.26Å
420C91.3Very high88.3Confident0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-69.9-40.8171-73.10000113.1F416 V417 R418 V424 I472 L476F416-C420 WeakPolarHBondContact CE2-SG 3.38Å; F416-C420 VanDerWaalsContact CZ-SG 3.53Å; F416-C420 WeakPolarHBondContact O-CB 3.45Å; F416-C420 PolarHBondContact O-N 3.27Å; F416-C420 PolarHBondContact O-SG 3.45Å; V417-C420 PolarHBondContact O-N 3.31Å; R418-C420 VanDerWaalsContact C-N 3.26Å; R418-C420 PolarHBondContact O-N 3.21Å; C420-V424 WeakPolarHBondContact O-CB 3.36Å; C420-V424 WeakPolarHBondContact O-CG2 3.22Å; C420-V424 PolarHBondContact O-N 2.72Å; C420-I472 HydrophobicContact CB-CG2 3.93Å; C420-L476 HydrophobicContact CB-CB 4.19Å; C420-L476 HydrophobicContact CB-CD1 3.83Å
421V93.6Very high88.6Confident9 Ų941 Ų416%0.05521%0.206CC..Hα-helixtrans-65.1-50.5176.9160.90000110.4V417 R418 L423 V424 E425 L476 L529 H533V417-V421 HydrophobicContact CG1-CG2 4.48Å; V417-V421 WeakPolarHBondContact O-CB 3.36Å; V417-V421 WeakPolarHBondContact O-CG2 3.37Å; V417-V421 PolarHBondContact O-N 2.98Å; R418-V421 WeakPolarHBondContact O-CA 3.28Å; R418-V421 WeakPolarHBondContact O-CB 3.18Å; R418-V421 PolarHBondContact O-N 3Å; V421-L423 VanDerWaalsContact C-N 3.33Å; V421-L423 PolarHBondContact O-N 2.96Å; V421-V424 PolarHBondContact O-N 2.72Å; V421-E425 HydrophobicContact CG1-CG 4.44Å; V421-E425 PolarHBondContact O-N 3.29Å; V421-L476 HydrophobicContact CG2-CD1 4.06Å; V421-L529 HydrophobicContact CB-CD2 4.42Å; V421-L529 HydrophobicContact CG2-CD2 3.86Å; V421-H533 HydrophobicContact CG1-CB 3.97Å; V421-H533 HydrophobicContact CG2-CB 3.91Å
422D91.4Very high88.8Confident88 Ų8842.4 Ų42.447%0.47121%0.214SC..Hα-helixtrans-58.1-43.6-178.1-57.5-34.1000111.8R418 V424 T426R418-D422 VanDerWaalsContact O-CG 3.26Å; R418-D422 PolarHBondContact O-N 2.69Å; D422-V424 PolarHBondContact O-N 2.94Å; D422-T426 VanDerWaalsContact O-CB 3.24Å; D422-T426 WeakPolarHBondContact O-CB 3.49Å; D422-T426 PolarHBondContact O-N 2.95Å; D422-T426 PolarHBondContact O-OG1 2.81Å
423L89.6Confident88.9Confident21 Ų2141.2 Ų41.211%0.1121%0.205CC..Hα-helixtrans-63.6-38.2174.7-78.4175.3000112.9K419 V421 R427 L462 P464 I472K419-L423 WeakPolarHBondContact O-CB 3.25Å; K419-L423 VanDerWaalsContact O-CG 3.31Å; K419-L423 WeakPolarHBondContact O-CG 3.46Å; K419-L423 PolarHBondContact O-N 3.46Å; V421-L423 VanDerWaalsContact C-N 3.33Å; V421-L423 PolarHBondContact O-N 2.96Å; L423-R427 WeakPolarHBondContact O-CG 3.42Å; L423-R427 PolarHBondContact O-N 2.96Å; L423-R427 VanDerWaalsContact O-N 3.15Å; L423-L462 HydrophobicContact CD1-CB 3.64Å; L423-L462 HydrophobicContact CD1-CD1 4.21Å; L423-P464 HydrophobicContact CD2-CB 4.14Å; L423-P464 HydrophobicContact CD2-CG 4.09Å; L423-I472 HydrophobicContact CD1-CD1 4.16Å; L423-I472 HydrophobicContact CD1-CG1 4.42Å
424V92.1Very high89.1Confident0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-75-37.7-179172.90000111.2C420 V421 D422 G428 I429 L434 Y435 I472 T473C420-V424 WeakPolarHBondContact O-CB 3.36Å; C420-V424 WeakPolarHBondContact O-CG2 3.22Å; C420-V424 PolarHBondContact O-N 2.72Å; V421-V424 PolarHBondContact O-N 2.72Å; D422-V424 PolarHBondContact O-N 2.94Å; V424-G428 CarbonylContact O-C 3.53Å; V424-G428 WeakPolarHBondContact O-CA 3.47Å; V424-G428 PolarHBondContact O-N 2.97Å; V424-I429 PolarHBondContact O-N 3.41Å; V424-L434 HydrophobicContact CG1-CD1 4Å; V424-L434 HydrophobicContact CG1-CD2 3.71Å; V424-L434 HydrophobicContact CG1-CG 4.28Å; V424-Y435 HydrophobicContact CG1-CE2 4.31Å; V424-I472 HydrophobicContact CG2-CG2 3.83Å; V424-T473 HydrophobicContact CG1-CG2 4.34Å; V424-T473 HydrophobicContact CG2-CG2 3.72Å
425E92.5Very high89.1Confident59 Ų5941 Ų4128%0.27621%0.205SC..Hα-helixtrans-68.8-45.1174.2-66.6-174.1-168.500111.4V421 H533 I536V421-E425 HydrophobicContact CG1-CG 4.44Å; V421-E425 PolarHBondContact O-N 3.29Å; E425-H533 VanDerWaalsContact CG-ND1 3.34Å; E425-H533 WeakPolarHBondContact CG-ND1 3.36Å; E425-H533 IonicContact OE1-CE1 3.89Å; E425-H533 IonicContact OE1-CG 2.68Å; E425-H533 IonicContact OE1-ND1 2.6Å; E425-H533 PolarHBondContact OE1-ND1 2.96Å; E425-I536 HydrophobicContact CG-CG2 4.31Å; E425-I536 WeakPolarHBondContact OE1-CD1 3.45Å
426T89Confident89.1Confident125 Ų12548.2 Ų48.277%0.76723%0.229SC*.Hα-helixtrans-69.8-40.6-175-53.40000113.6D422D422-T426 VanDerWaalsContact O-CB 3.24Å; D422-T426 WeakPolarHBondContact O-CB 3.49Å; D422-T426 PolarHBondContact O-N 2.95Å; D422-T426 PolarHBondContact O-OG1 2.81Å
427R87.8Confident88.8Confident79 Ų7951.4 Ų51.430%0.29825%0.246SC..Hα-helixtrans-128.2-5.3-173.292.6-151.6165.7136.513.1114.8L423 P464 W467 N469L423-R427 WeakPolarHBondContact O-CG 3.42Å; L423-R427 PolarHBondContact O-N 2.96Å; L423-R427 VanDerWaalsContact O-N 3.15Å; R427-P464 PolarHBondContact NH1-O 3.32Å; R427-W467 VanDerWaalsContact CZ-O 3.27Å; R427-W467 PolarHBondContact NH1-O 3.08Å; R427-W467 PolarHBondContact NH2-O 3.37Å; R427-N469 WeakPolarHBondContact CG-OD1 3.25Å; R427-N469 VanDerWaalsContact CZ-OD1 3.23Å; R427-N469 PolarHBondContact NE-OD1 2.58Å; R427-N469 PolarHBondContact NH2-OD1 2.84Å; R427-N469 PolarHBondContact O-ND2 3.34Å
428G84.7Confident88.4Confident0 Ų053.7 Ų53.70%027%0.27CS..Hα-helixtrans-112.8-17.2-169.400000115.3V424 H430 T431 N469V424-G428 CarbonylContact O-C 3.53Å; V424-G428 WeakPolarHBondContact O-CA 3.47Å; V424-G428 PolarHBondContact O-N 2.97Å; G428-H430 VanDerWaalsContact C-N 3.28Å; G428-H430 PolarHBondContact O-N 3.24Å; G428-H430 VanDerWaalsContact O-N 3.12Å; G428-T431 VanDerWaalsContact O-CB 3.23Å; G428-T431 WeakPolarHBondContact O-CB 3.34Å; G428-T431 PolarHBondContact O-N 3.34Å; G428-T431 PolarHBondContact O-OG1 3.06Å; G428-N469 WeakPolarHBondContact CA-ND2 3.16Å
429I90.8Very high87.9Confident19 Ų1949.3 Ų49.310%0.09726%0.256CS..THydrogen-bonded Turntrans-61.9-30.1-161.2-162.364.4000114.8V424 I536 V537 Q540 N544V424-I429 PolarHBondContact O-N 3.41Å; I429-I536 HydrophobicContact CD1-CG2 4.1Å; I429-V537 HydrophobicContact CD1-CB 4.33Å; I429-V537 HydrophobicContact CD1-CG2 3.82Å; I429-Q540 HydrophobicContact CG1-CB 4.18Å; I429-Q540 HydrophobicContact CG1-CG 3.85Å; I429-N544 WeakPolarHBondContact O-CB 3.42Å; I429-N544 PolarHBondContact O-ND2 3.23Å
430H87.7Confident87.7Confident117 Ų11751.4 Ų51.454%0.54227%0.272SS..THydrogen-bonded Turntrans-92.17.9177.1-57.3-57.5000114.1G428 M432 S543G428-H430 VanDerWaalsContact C-N 3.28Å; G428-H430 PolarHBondContact O-N 3.24Å; G428-H430 VanDerWaalsContact O-N 3.12Å; H430-M432 PolarHBondContact O-N 2.82Å; H430-S543 PolarHBondContact ND1-OG 3.28Å
431T86.8Confident87Confident40 Ų4057.5 Ų57.525%0.24530%0.304CS..  trans-71113.8179-51.10000109.9G428 G433 L434 N544G428-T431 VanDerWaalsContact O-CB 3.23Å; G428-T431 WeakPolarHBondContact O-CB 3.34Å; G428-T431 PolarHBondContact O-N 3.34Å; G428-T431 PolarHBondContact O-OG1 3.06Å; T431-G433 PolarHBondContact O-N 3.07Å; T431-L434 WeakPolarHBondContact O-CB 3.49Å; T431-L434 PolarHBondContact O-N 3.18Å; T431-L434 VanDerWaalsContact O-N 3.08Å; T431-N544 WeakPolarHBondContact O-CB 3.43Å
432M85.9Confident86.2Confident110 Ų11061.3 Ų61.354%0.54233%0.331SS..THydrogen-bonded Turntrans-52128.7173.9-68.3-170.9-68.100111.9H430 I437 N544 L545H430-M432 PolarHBondContact O-N 2.82Å; M432-I437 WeakPolarHBondContact O-CD1 3.49Å; M432-N544 WeakPolarHBondContact CA-O 3.45Å; M432-L545 HydrophobicContact SD-CD1 4.41Å
433G84.2Confident85.7Confident12 Ų1260.7 Ų60.712%0.12433%0.325CS..THydrogen-bonded Turntrans69.731.6-178.300000113.8T431 Y435 R436 I437 N544T431-G433 PolarHBondContact O-N 3.07Å; G433-Y435 PolarHBondContact O-N 2.99Å; G433-R436 WeakPolarHBondContact O-CA 3.13Å; G433-R436 WeakPolarHBondContact O-CB 3.36Å; G433-R436 PolarHBondContact O-N 3.37Å; G433-I437 PolarHBondContact O-N 3.3Å; G433-N544 PolarHBondContact N-O 2.89Å
434L87.9Confident85.3Confident4 Ų459.9 Ų59.92%0.02132%0.32CS..THydrogen-bonded Turntrans-50.8136.4174.4-167.467.1000110.9V424 T431 R436 T473 V537 M546V424-L434 HydrophobicContact CG1-CD1 4Å; V424-L434 HydrophobicContact CG1-CD2 3.71Å; V424-L434 HydrophobicContact CG1-CG 4.28Å; T431-L434 WeakPolarHBondContact O-CB 3.49Å; T431-L434 PolarHBondContact O-N 3.18Å; T431-L434 VanDerWaalsContact O-N 3.08Å; L434-R436 PolarHBondContact O-N 3.42Å; L434-T473 HydrophobicContact CD1-CG2 3.74Å; L434-T473 HydrophobicContact CG-CG2 4.34Å; L434-V537 HydrophobicContact CD2-CG1 3.9Å; L434-V537 HydrophobicContact CD2-CG2 3.85Å; L434-M546 HydrophobicContact CB-CG 4.2Å; L434-M546 WeakPolarHBondContact O-CE 3.29Å; L434-M546 WeakPolarHBondContact O-CG 3.32Å; L434-M546 VanDerWaalsContact O-SD 3.38Å
435Y89.8Confident84.7Confident2 Ų264.6 Ų64.61%0.00834%0.342CS..THydrogen-bonded Turntrans58.2-20.9-168-62.6-78.7000117.1V424 G433 T473 L476 K477 H533 L534 V537 F555V424-Y435 HydrophobicContact CG1-CE2 4.31Å; G433-Y435 PolarHBondContact O-N 2.99Å; Y435-T473 VanDerWaalsContact CD1-CB 3.49Å; Y435-T473 HydrophobicContact CD1-CG2 3.8Å; Y435-T473 HydrophobicContact CD2-CG2 4.31Å; Y435-T473 HydrophobicContact CE1-CG2 3.53Å; Y435-T473 HydrophobicContact CE2-CG2 4.07Å; Y435-T473 HydrophobicContact CG-CG2 4.17Å; Y435-L476 HydrophobicContact CE1-CD2 4.12Å; Y435-K477 HydrophobicContact CD1-CD 4.06Å; Y435-K477 HydrophobicContact CD1-CG 4.08Å; Y435-K477 PolarHBondContact O-NZ 3.21Å; Y435-H533 AromaticContact CE2-CD2 3.94Å; Y435-H533 AromaticContact CE2-NE2 3.4Å; Y435-H533 WeakPolarHBondContact CE2-NE2 3.43Å; Y435-H533 AromaticContact CZ-CD2 3.94Å; Y435-H533 AromaticContact CZ-NE2 3.52Å; Y435-H533 PolarHBondContact OH-CD2 3.13Å; Y435-H533 VanDerWaalsContact OH-CD2 3.25Å; Y435-H533 PolarHBondContact OH-NE2 2.98Å; Y435-L534 HydrophobicContact CE2-CD2 4.5Å; Y435-V537 HydrophobicContact CE2-CG2 4.34Å; Y435-F555 AromaticContact CD1-CE2 3.9Å; Y435-F555 HydrophobicContact CD1-CE2 3.9Å; Y435-F555 AromaticContact CD1-CZ 3.58Å; Y435-F555 HydrophobicContact CD1-CZ 3.58Å; Y435-F555 HydrophobicContact CD2-CE2 4.12Å; Y435-F555 HydrophobicContact CD2-CZ 4.38Å; Y435-F555 HydrophobicContact CE1-CE2 4.44Å; Y435-F555 AromaticContact CE1-CZ 3.79Å; Y435-F555 HydrophobicContact CE1-CZ 3.79Å; Y435-F555 AromaticContact CG-CE2 3.74Å; Y435-F555 HydrophobicContact CG-CE2 3.74Å; Y435-F555 AromaticContact CG-CZ 3.91Å; Y435-F555 HydrophobicContact CG-CZ 3.91Å
436R87.1Confident84.2Confident181 Ų18167.7 Ų67.768%0.68335%0.352SS*.THydrogen-bonded Turntrans-74.8-44.9174.6-172.8177173.8-178.4-2.4111.5G433 L434 M546 I554G433-R436 WeakPolarHBondContact O-CA 3.13Å; G433-R436 WeakPolarHBondContact O-CB 3.36Å; G433-R436 PolarHBondContact O-N 3.37Å; L434-R436 PolarHBondContact O-N 3.42Å; R436-M546 HydrophobicContact CB-CE 4.27Å; R436-M546 HydrophobicContact CB-SD 4.13Å; R436-I554 HydrophobicContact CB-CD1 3.88Å
437I81.1Confident83.9Confident73 Ų7361.8 Ų61.837%0.37432%0.315SS..SBendtrans-80126178.9-54.1175.7000109.8M432 G433 K470M432-I437 WeakPolarHBondContact O-CD1 3.49Å; G433-I437 PolarHBondContact O-N 3.3Å; I437-K470 HydrophobicContact CG2-CD 3.79Å; I437-K470 HydrophobicContact CG2-CG 4.33Å
438G81.6Confident83.7Confident49 Ų4959.1 Ų59.151%0.50531%0.306SS..PPolyproline II helixtrans-78.7137.7178.300000113.7
439G82.9Confident83.5Confident8 Ų863 Ų638%0.08233%0.333CS..PPolyproline II helixtrans-70.3163.4162.900000113.1N441 K470 S474G439-N441 PolarHBondContact O-N 3.45Å; G439-K470 VanDerWaalsContact CA-O 3.27Å; G439-K470 WeakPolarHBondContact CA-O 3.24Å; G439-K470 PolarHBondContact N-O 2.93Å; G439-K470 VanDerWaalsContact N-O 3.1Å; G439-S474 PolarHBondContact N-OG 2.94Å
440V83.4Confident83Confident84 Ų8464.7 Ų64.751%0.50935%0.345SS..PPolyproline II helixtrans-67.4118.8-177.1-178.30000110.2S442 K443 V444V440-S442 VanDerWaalsContact C-N 3.27Å; V440-S442 PolarHBondContact O-N 2.96Å; V440-S442 VanDerWaalsContact O-N 3.09Å; V440-K443 HydrophobicContact CB-CB 4.42Å; V440-K443 HydrophobicContact CB-CD 4.49Å; V440-K443 HydrophobicContact CB-CG 4.2Å; V440-K443 WeakPolarHBondContact O-CA 3.39Å; V440-K443 WeakPolarHBondContact O-CB 3.44Å; V440-K443 PolarHBondContact O-N 2.82Å; V440-V444 WeakPolarHBondContact O-CG2 3.4Å; V440-V444 PolarHBondContact O-N 2.94Å
441N76.3Confident82.5Confident127 Ų12760.2 Ų60.268%0.67933%0.326SS*.Hα-helixtrans-51.6-39.1-172.6-76.1-26.1000114.3G439 V444 Q445G439-N441 PolarHBondContact O-N 3.45Å; N441-V444 PolarHBondContact O-N 3.37Å; N441-Q445 WeakPolarHBondContact O-CG 3.2Å; N441-Q445 PolarHBondContact O-N 2.86Å
442S77.1Confident82Confident89 Ų8961.6 Ų61.662%0.62233%0.329SS*.Hα-helixtrans-66.6-36.7176.854.40000113.1V440 R446V440-S442 VanDerWaalsContact C-N 3.27Å; V440-S442 PolarHBondContact O-N 2.96Å; V440-S442 VanDerWaalsContact O-N 3.09Å; S442-R446 WeakPolarHBondContact O-CB 3.3Å; S442-R446 PolarHBondContact O-N 2.68Å
443K80.9Confident81.5Confident76 Ų7659 Ų5933%0.3332%0.321SS..Hα-helixtrans-66.4-41.2170.4-66.8-167.3-178.5-1690111.4V440 R446 L447 W467 D468 T471V440-K443 HydrophobicContact CB-CB 4.42Å; V440-K443 HydrophobicContact CB-CD 4.49Å; V440-K443 HydrophobicContact CB-CG 4.2Å; V440-K443 WeakPolarHBondContact O-CA 3.39Å; V440-K443 WeakPolarHBondContact O-CB 3.44Å; V440-K443 PolarHBondContact O-N 2.82Å; K443-R446 PolarHBondContact O-N 3.01Å; K443-L447 WeakPolarHBondContact O-CB 3.49Å; K443-L447 PolarHBondContact O-N 2.85Å; K443-W467 WeakPolarHBondContact O-CZ3 3.47Å; K443-D468 WeakPolarHBondContact CD-OD1 3.17Å; K443-D468 IonicContact NZ-OD1 2.69Å; K443-D468 PolarHBondContact NZ-OD1 2.88Å; K443-T471 HydrophobicContact CB-CG2 3.74Å
444V82.3Confident80.4Confident4 Ų464.5 Ų64.52%0.02436%0.358CS..Hα-helixtrans-63.5-46.6-180177.10000110.8V440 N441 L447 M448 T471 S474 N478V440-V444 WeakPolarHBondContact O-CG2 3.4Å; V440-V444 PolarHBondContact O-N 2.94Å; N441-V444 PolarHBondContact O-N 3.37Å; V444-L447 WeakPolarHBondContact O-CB 3.34Å; V444-L447 PolarHBondContact O-N 3.24Å; V444-M448 WeakPolarHBondContact O-CG 3.31Å; V444-M448 PolarHBondContact O-N 3.47Å; V444-T471 HydrophobicContact CG2-CG2 4.05Å; V444-S474 VanDerWaalsContact CG2-CB 3.5Å; V444-N478 HydrophobicContact CG1-CB 4.27Å
445Q78.1Confident79Confident99 Ų9973.4 Ų73.446%0.46340%0.396SS..Hα-helixtrans-64.1-40.7174.9-65-58.2-27.900111.5N441 L447 M448 S449N441-Q445 WeakPolarHBondContact O-CG 3.2Å; N441-Q445 PolarHBondContact O-N 2.86Å; Q445-L447 VanDerWaalsContact C-N 3.34Å; Q445-L447 PolarHBondContact O-N 3Å; Q445-M448 PolarHBondContact O-N 2.88Å; Q445-S449 WeakPolarHBondContact O-CB 3.47Å; Q445-S449 PolarHBondContact O-N 3.38Å; Q445-S449 PolarHBondContact O-OG 2.6Å
446R82.9Confident77.7Confident124 Ų12474.7 Ų74.747%0.46841%0.407SS..Hα-helixtrans-59-42.8173.8-166.7-177.272.7175.86.4112.2S442 K443 T450 W467S442-R446 WeakPolarHBondContact O-CB 3.3Å; S442-R446 PolarHBondContact O-N 2.68Å; K443-R446 PolarHBondContact O-N 3.01Å; R446-T450 WeakPolarHBondContact O-CB 3.44Å; R446-T450 PolarHBondContact O-N 2.83Å; R446-T450 PolarHBondContact O-OG1 2.89Å; R446-W467 HydrophobicContact CB-CH2 4.28Å; R446-W467 HydrophobicContact CG-CH2 4.14Å
447L83.1Confident76.5Confident0 Ų070.3 Ų70.30%040%0.402CS..Hα-helixtrans-59.7-52.5175.3173.563.3000110.8F416 K443 V444 Q445 S449 T450 V451 L462 W467 T471 I472F416-L447 HydrophobicContact CE2-CD1 4.43Å; F416-L447 HydrophobicContact CE2-CD2 4.34Å; F416-L447 HydrophobicContact CE2-CG 4.28Å; F416-L447 HydrophobicContact CZ-CD2 4.38Å; K443-L447 WeakPolarHBondContact O-CB 3.49Å; K443-L447 PolarHBondContact O-N 2.85Å; V444-L447 WeakPolarHBondContact O-CB 3.34Å; V444-L447 PolarHBondContact O-N 3.24Å; Q445-L447 VanDerWaalsContact C-N 3.34Å; Q445-L447 PolarHBondContact O-N 3Å; L447-S449 PolarHBondContact O-N 3.16Å; L447-T450 PolarHBondContact O-N 3.39Å; L447-T450 VanDerWaalsContact O-N 3.14Å; L447-V451 HydrophobicContact CD1-CG2 4.01Å; L447-V451 WeakPolarHBondContact O-CG2 3.45Å; L447-V451 PolarHBondContact O-N 2.64Å; L447-L462 HydrophobicContact CD1-CD2 3.81Å; L447-W467 HydrophobicContact CB-CE3 4.13Å; L447-W467 HydrophobicContact CB-CH2 3.89Å; L447-W467 HydrophobicContact CB-CZ2 4.36Å; L447-W467 HydrophobicContact CB-CZ3 3.79Å; L447-W467 HydrophobicContact CD1-CD2 4.03Å; L447-W467 HydrophobicContact CD1-CE3 4.45Å; L447-W467 HydrophobicContact CD1-CG 4.42Å; L447-W467 HydrophobicContact CD1-CH2 4.45Å; L447-W467 HydrophobicContact CD1-CZ2 4.07Å; L447-T471 HydrophobicContact CD2-CG2 4.24Å; L447-I472 HydrophobicContact CD2-CD1 4.01Å
448M82.3Confident75.4Confident23 Ų2372 Ų7211%0.11342%0.415CS..Hα-helixtrans-56.5-48.7178-66.2-64.5-57.800111.9F416 V444 Q445 T450 V451 F452 Y479F416-M448 HydrophobicContact CE1-SD 4.2Å; F416-M448 HydrophobicContact CZ-SD 4.17Å; V444-M448 WeakPolarHBondContact O-CG 3.31Å; V444-M448 PolarHBondContact O-N 3.47Å; Q445-M448 PolarHBondContact O-N 2.88Å; M448-T450 VanDerWaalsContact C-N 3.27Å; M448-T450 PolarHBondContact O-N 2.65Å; M448-V451 PolarHBondContact O-N 3.09Å; M448-F452 HydrophobicContact CE-CD2 3.76Å; M448-F452 HydrophobicContact CE-CE2 3.63Å; M448-F452 WeakPolarHBondContact O-CD2 3.29Å; M448-F452 PolarHBondContact O-N 3.28Å; M448-F452 HydrophobicContact SD-CE2 4.2Å; M448-Y479 HydrophobicContact CE-CD2 4.31Å
449S81.2Confident74.4Confident81 Ų8175.1 Ų75.157%0.56642%0.421SS*.Hα-helixtrans-68.4-21.4179.1-59.10000114.3Q445 L447 S453Q445-S449 WeakPolarHBondContact O-CB 3.47Å; Q445-S449 PolarHBondContact O-N 3.38Å; Q445-S449 PolarHBondContact O-OG 2.6Å; L447-S449 PolarHBondContact O-N 3.16Å; S449-S453 WeakPolarHBondContact O-CB 3.44Å
450T81.1Confident73.6Confident55 Ų5577.5 Ų77.534%0.33743%0.43SS..Hα-helixtrans-80-47.6175.3-51.70000110.3R446 L447 M448 M460R446-T450 WeakPolarHBondContact O-CB 3.44Å; R446-T450 PolarHBondContact O-N 2.83Å; R446-T450 PolarHBondContact O-OG1 2.89Å; L447-T450 PolarHBondContact O-N 3.39Å; L447-T450 VanDerWaalsContact O-N 3.14Å; M448-T450 VanDerWaalsContact C-N 3.27Å; M448-T450 PolarHBondContact O-N 2.65Å; T450-M460 HydrophobicContact CG2-CE 4.01Å; T450-M460 HydrophobicContact CG2-SD 4.16Å
451V76.1Confident72.6Confident24 Ų2481.3 Ų81.315%0.14544%0.442CS..Hα-helixtrans-68.2-45.8-178.9174.30000112.2F416 L447 M448 S453 A456 M460 L462F416-V451 HydrophobicContact CB-CG1 4.05Å; F416-V451 HydrophobicContact CD2-CB 4.26Å; F416-V451 HydrophobicContact CD2-CG1 3.71Å; F416-V451 HydrophobicContact CD2-CG2 3.9Å; F416-V451 HydrophobicContact CE2-CG1 4.47Å; F416-V451 HydrophobicContact CE2-CG2 4.02Å; F416-V451 HydrophobicContact CG-CG1 4.07Å; L447-V451 HydrophobicContact CD1-CG2 4.01Å; L447-V451 WeakPolarHBondContact O-CG2 3.45Å; L447-V451 PolarHBondContact O-N 2.64Å; M448-V451 PolarHBondContact O-N 3.09Å; V451-S453 VanDerWaalsContact C-N 3.32Å; V451-S453 PolarHBondContact O-N 2.93Å; V451-A456 WeakPolarHBondContact O-CB 3.44Å; V451-M460 HydrophobicContact CB-CE 4.47Å; V451-M460 HydrophobicContact CG2-CE 3.77Å; V451-L462 HydrophobicContact CG2-CD2 3.85Å
452F77.4Confident72.6Confident69 Ų6975.8 Ų75.830%0.30341%0.413SS..THydrogen-bonded Turntrans-96.726.7-175.4-61-77.2000112.9A412 F416 M448 Y479A412-F452 HydrophobicContact CB-CE1 4.41Å; F416-F452 HydrophobicContact CB-CE2 4.44Å; F416-F452 HydrophobicContact CB-CZ 3.83Å; F416-F452 AromaticContact CD1-CE2 3.93Å; F416-F452 HydrophobicContact CD1-CE2 3.93Å; F416-F452 AromaticContact CD1-CZ 3.84Å; F416-F452 HydrophobicContact CD1-CZ 3.84Å; F416-F452 HydrophobicContact CE1-CE2 4.31Å; F416-F452 HydrophobicContact CG-CE2 4.04Å; F416-F452 AromaticContact CG-CZ 3.88Å; F416-F452 HydrophobicContact CG-CZ 3.88Å; M448-F452 HydrophobicContact CE-CD2 3.76Å; M448-F452 HydrophobicContact CE-CE2 3.63Å; M448-F452 WeakPolarHBondContact O-CD2 3.29Å; M448-F452 PolarHBondContact O-N 3.28Å; M448-F452 HydrophobicContact SD-CE2 4.2Å; F452-Y479 HydrophobicContact CE1-CD2 4.12Å; F452-Y479 AromaticContact CE1-CE2 3.89Å; F452-Y479 HydrophobicContact CE1-CE2 3.89Å; F452-Y479 AromaticContact CE2-CD2 3.83Å; F452-Y479 HydrophobicContact CE2-CD2 3.83Å; F452-Y479 HydrophobicContact CE2-CE2 4.43Å; F452-Y479 AromaticContact CZ-CD2 3.4Å; F452-Y479 HydrophobicContact CZ-CD2 3.4Å; F452-Y479 VanDerWaalsContact CZ-CD2 3.4Å; F452-Y479 AromaticContact CZ-CE2 3.61Å; F452-Y479 HydrophobicContact CZ-CE2 3.61Å; F452-Y479 HydrophobicContact CZ-CG 4.22Å
453S75.1Confident72.3Confident54 Ų5475.3 Ų75.338%0.37840%0.403SS..  trans-73.2142.7174-166.70000111.1S449 V451 K455 A456S449-S453 WeakPolarHBondContact O-CB 3.44Å; V451-S453 VanDerWaalsContact C-N 3.32Å; V451-S453 PolarHBondContact O-N 2.93Å; S453-K455 PolarHBondContact O-N 2.93Å; S453-A456 WeakPolarHBondContact O-CB 3.45Å; S453-A456 PolarHBondContact O-N 3.35Å
454S61.1Low71.6Confident128 Ų12875.6 Ų75.690%0.89541%0.413SS*.THydrogen-bonded Turntrans-66.10.617357.70000114.6
455K58.9Low70.9Confident192 Ų19284.4 Ų84.484%0.83545%0.454SS*.THydrogen-bonded Turntrans-117.44.7172.1-60.7-174.9179.4-1770113.5S453S453-K455 PolarHBondContact O-N 2.93Å
456A61.8Low71Confident28 Ų2883.8 Ų83.823%0.23145%0.452CS..SBendtrans-75.6138179.900000111.2V451 S453V451-A456 WeakPolarHBondContact O-CB 3.44Å; S453-A456 WeakPolarHBondContact O-CB 3.45Å; S453-A456 PolarHBondContact O-N 3.35Å
457P62.8Low71Confident90 Ų9078.3 Ų78.358%0.58443%0.431SS*.  trans-61.7139.5167.3-21.133000111.2D459 M460P457-D459 PolarHBondContact O-N 3.18Å; P457-D459 VanDerWaalsContact O-N 3.07Å; P457-M460 WeakPolarHBondContact O-CB 3.5Å; P457-M460 PolarHBondContact O-N 2.99Å
458V58Low71.2Confident107 Ų10780.7 Ų80.765%0.64844%0.444SS*.THydrogen-bonded Turntrans-59.8-21.9178.6179.90000112.6N415N415-V458 PolarHBondContact ND2-O 3.34Å
459D59.4Low71.4Confident116 Ų11681.1 Ų81.162%0.6245%0.447SS*.THydrogen-bonded Turntrans-116.632.7177.2-160.313.6000113.3K419 P457 E461K419-D459 WeakPolarHBondContact CE-OD1 3.45Å; K419-D459 PolarHBondContact NZ-O 2.74Å; K419-D459 VanDerWaalsContact NZ-O 3.13Å; K419-D459 IonicContact NZ-OD1 2.69Å; K419-D459 PolarHBondContact NZ-OD1 3.09Å; P457-D459 PolarHBondContact O-N 3.18Å; P457-D459 VanDerWaalsContact O-N 3.07Å; D459-E461 PolarHBondContact O-N 3.03Å
460M65.8Low71.8Confident57 Ų5781.8 Ų81.828%0.28144%0.44SS..  trans-56.2128.3173.8-164.4-175.28200110.6K419 T450 V451 P457 L462K419-M460 WeakPolarHBondContact CD-O 3.42Å; K419-M460 PolarHBondContact NZ-O 3.07Å; T450-M460 HydrophobicContact CG2-CE 4.01Å; T450-M460 HydrophobicContact CG2-SD 4.16Å; V451-M460 HydrophobicContact CB-CE 4.47Å; V451-M460 HydrophobicContact CG2-CE 3.77Å; P457-M460 WeakPolarHBondContact O-CB 3.5Å; P457-M460 PolarHBondContact O-N 2.99Å; M460-L462 HydrophobicContact CE-CD2 4.33Å
461E63.9Low72.2Confident164 Ų16479.1 Ų79.177%0.76642%0.424SS*.  trans-79.9150.2173.5-66.6-165.9134.800111.6D459D459-E461 PolarHBondContact O-N 3.03Å
462L74.9Confident72.8Confident12 Ų1278 Ų786%0.06342%0.417CS..  trans-96.499.7174.4-68.8-178.8000108.7F416 K419 L423 L447 V451 M460 P464 I472F416-L462 HydrophobicContact CD2-CD1 4.31Å; F416-L462 HydrophobicContact CE2-CD1 4.33Å; K419-L462 HydrophobicContact CB-CD1 3.94Å; K419-L462 HydrophobicContact CB-CG 4.26Å; L423-L462 HydrophobicContact CD1-CB 3.64Å; L423-L462 HydrophobicContact CD1-CD1 4.21Å; L447-L462 HydrophobicContact CD1-CD2 3.81Å; V451-L462 HydrophobicContact CG2-CD2 3.85Å; M460-L462 HydrophobicContact CE-CD2 4.33Å; L462-P464 WeakPolarHBondContact O-CD 3.48Å; L462-I472 HydrophobicContact CD1-CD1 4.33Å
463D70.9Confident73.5Confident78 Ų7874.9 Ų74.942%0.41740%0.403SS..  trans-45.4116.5176.5177.3-22.9000111.8E465 M466D463-E465 VanDerWaalsContact C-N 3.26Å; D463-E465 PolarHBondContact O-N 3.41Å; D463-E465 WeakPolarHBondContact OD1-CA 3.39Å; D463-E465 PolarHBondContact OD1-N 3.48Å; D463-M466 HydrophobicContact CB-CB 3.71Å; D463-M466 VanDerWaalsContact CG-CB 3.46Å; D463-M466 PolarHBondContact O-N 3.01Å; D463-M466 PolarHBondContact OD1-N 3.18Å; D463-M466 WeakPolarHBondContact OD2-CB 3.44Å
464P66.1Low74.1Confident82 Ų8273.1 Ų73.153%0.53239%0.391SS..THydrogen-bonded Turntrans-68-13.8-178.7-21.233.1000115.6L423 R427 L462L423-P464 HydrophobicContact CD2-CB 4.14Å; L423-P464 HydrophobicContact CD2-CG 4.09Å; R427-P464 PolarHBondContact NH1-O 3.32Å; L462-P464 WeakPolarHBondContact O-CD 3.48Å
465E69.1Low75.3Confident189 Ų18967 Ų6788%0.88335%0.348SS*.THydrogen-bonded Turntrans-99.3-33.2176.8-59.8-164.6160.200111.7D463 W467D463-E465 VanDerWaalsContact C-N 3.26Å; D463-E465 PolarHBondContact O-N 3.41Å; D463-E465 WeakPolarHBondContact OD1-CA 3.39Å; D463-E465 PolarHBondContact OD1-N 3.48Å; E465-W467 VanDerWaalsContact C-N 3.35Å; E465-W467 PolarHBondContact O-N 3.26Å
466M79.3Confident76.8Confident87 Ų8757.9 Ų57.943%0.42931%0.308SS..THydrogen-bonded Turntrans-65.8-30-178.5-172.9-178.3-170.800114.5D463D463-M466 HydrophobicContact CB-CB 3.71Å; D463-M466 VanDerWaalsContact CG-CB 3.46Å; D463-M466 PolarHBondContact O-N 3.01Å; D463-M466 PolarHBondContact OD1-N 3.18Å; D463-M466 WeakPolarHBondContact OD2-CB 3.44Å
467W83.7Confident78.2Confident8 Ų857.9 Ų57.93%0.0330%0.303CS..SBendtrans-126.4119.9-168.9-54.2106.3000113.3R427 K443 R446 L447 E465 T471 I472R427-W467 VanDerWaalsContact CZ-O 3.27Å; R427-W467 PolarHBondContact NH1-O 3.08Å; R427-W467 PolarHBondContact NH2-O 3.37Å; K443-W467 WeakPolarHBondContact O-CZ3 3.47Å; R446-W467 HydrophobicContact CB-CH2 4.28Å; R446-W467 HydrophobicContact CG-CH2 4.14Å; L447-W467 HydrophobicContact CB-CE3 4.13Å; L447-W467 HydrophobicContact CB-CH2 3.89Å; L447-W467 HydrophobicContact CB-CZ2 4.36Å; L447-W467 HydrophobicContact CB-CZ3 3.79Å; L447-W467 HydrophobicContact CD1-CD2 4.03Å; L447-W467 HydrophobicContact CD1-CE3 4.45Å; L447-W467 HydrophobicContact CD1-CG 4.42Å; L447-W467 HydrophobicContact CD1-CH2 4.45Å; L447-W467 HydrophobicContact CD1-CZ2 4.07Å; E465-W467 VanDerWaalsContact C-N 3.35Å; E465-W467 PolarHBondContact O-N 3.26Å; W467-T471 HydrophobicContact CE3-CG2 4.02Å; W467-I472 HydrophobicContact CB-CD1 3.72Å; W467-I472 HydrophobicContact CB-CG1 4.08Å; W467-I472 HydrophobicContact CG-CD1 4.31Å
468D86.1Confident79.2Confident50 Ų5055.2 Ų55.227%0.26728%0.284SS..  trans-72.7154177.358.6-97.6000113.7K443 K470 T471 I472K443-D468 WeakPolarHBondContact CD-OD1 3.17Å; K443-D468 IonicContact NZ-OD1 2.69Å; K443-D468 PolarHBondContact NZ-OD1 2.88Å; D468-K470 PolarHBondContact O-N 2.72Å; D468-K470 PolarHBondContact OD2-N 3.06Å; D468-T471 WeakPolarHBondContact O-CA 3.22Å; D468-T471 WeakPolarHBondContact O-CB 3.45Å; D468-T471 PolarHBondContact O-N 2.74Å; D468-T471 PolarHBondContact OD1-OG1 3.37Å; D468-T471 VanDerWaalsContact OD1-OG1 3.05Å; D468-T471 VanDerWaalsContact OD2-CB 3.31Å; D468-T471 WeakPolarHBondContact OD2-CB 3.17Å; D468-T471 PolarHBondContact OD2-N 3.05Å; D468-T471 PolarHBondContact OD2-OG1 2.92Å; D468-I472 PolarHBondContact O-N 3.24Å
469N87.8Confident80.6Confident33 Ų3350.9 Ų50.918%0.17626%0.256CS..Hα-helixtrans-55.7-34.1-178.4-74-23.6000113.6R427 G428 T473R427-N469 WeakPolarHBondContact CG-OD1 3.25Å; R427-N469 VanDerWaalsContact CZ-OD1 3.23Å; R427-N469 PolarHBondContact NE-OD1 2.58Å; R427-N469 PolarHBondContact NH2-OD1 2.84Å; R427-N469 PolarHBondContact O-ND2 3.34Å; G428-N469 WeakPolarHBondContact CA-ND2 3.16Å; N469-T473 WeakPolarHBondContact O-CB 3.49Å; N469-T473 WeakPolarHBondContact O-CG2 3.43Å; N469-T473 PolarHBondContact O-N 2.9Å; N469-T473 PolarHBondContact O-OG1 2.95Å
470K89.3Confident81.9Confident94 Ų9445.4 Ų45.441%0.40923%0.227SC..Hα-helixtrans-69.7-37.9178.2-60.7175179.2177.90110.7I437 G439 D468 T473 S474I437-K470 HydrophobicContact CG2-CD 3.79Å; I437-K470 HydrophobicContact CG2-CG 4.33Å; G439-K470 VanDerWaalsContact CA-O 3.27Å; G439-K470 WeakPolarHBondContact CA-O 3.24Å; G439-K470 PolarHBondContact N-O 2.93Å; G439-K470 VanDerWaalsContact N-O 3.1Å; D468-K470 PolarHBondContact O-N 2.72Å; D468-K470 PolarHBondContact OD2-N 3.06Å; K470-T473 PolarHBondContact O-OG1 3.47Å; K470-S474 VanDerWaalsContact O-CB 3.31Å; K470-S474 WeakPolarHBondContact O-CB 3.5Å; K470-S474 PolarHBondContact O-N 2.99Å; K470-S474 PolarHBondContact O-OG 3.04Å
471T88.6Confident82.8Confident0 Ų048.6 Ų48.60%024%0.236CC..Hα-helixtrans-69.5-43.8174.7-61.60000112.1K443 V444 L447 W467 D468 S474 G475K443-T471 HydrophobicContact CB-CG2 3.74Å; V444-T471 HydrophobicContact CG2-CG2 4.05Å; L447-T471 HydrophobicContact CD2-CG2 4.24Å; W467-T471 HydrophobicContact CE3-CG2 4.02Å; D468-T471 WeakPolarHBondContact O-CA 3.22Å; D468-T471 WeakPolarHBondContact O-CB 3.45Å; D468-T471 PolarHBondContact O-N 2.74Å; D468-T471 PolarHBondContact OD1-OG1 3.37Å; D468-T471 VanDerWaalsContact OD1-OG1 3.05Å; D468-T471 VanDerWaalsContact OD2-CB 3.31Å; D468-T471 WeakPolarHBondContact OD2-CB 3.17Å; D468-T471 PolarHBondContact OD2-N 3.05Å; D468-T471 PolarHBondContact OD2-OG1 2.92Å; T471-S474 PolarHBondContact O-N 3.5Å; T471-G475 PolarHBondContact O-N 3.49Å
472I90.1Very high83.5Confident0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-61.3-51.2175.4-65.5-61000111.1C420 L423 V424 L447 L462 W467 D468 S474 G475 L476C420-I472 HydrophobicContact CB-CG2 3.93Å; L423-I472 HydrophobicContact CD1-CD1 4.16Å; L423-I472 HydrophobicContact CD1-CG1 4.42Å; V424-I472 HydrophobicContact CG2-CG2 3.83Å; L447-I472 HydrophobicContact CD2-CD1 4.01Å; L462-I472 HydrophobicContact CD1-CD1 4.33Å; W467-I472 HydrophobicContact CB-CD1 3.72Å; W467-I472 HydrophobicContact CB-CG1 4.08Å; W467-I472 HydrophobicContact CG-CD1 4.31Å; D468-I472 PolarHBondContact O-N 3.24Å; I472-S474 VanDerWaalsContact C-N 3.34Å; I472-S474 PolarHBondContact O-N 3.45Å; I472-G475 WeakPolarHBondContact O-CA 3.36Å; I472-G475 PolarHBondContact O-N 2.94Å; I472-L476 PolarHBondContact O-N 3.34Å
473T91.9Very high83.8Confident3 Ų344.3 Ų44.32%0.01822%0.223CC..Hα-helixtrans-65.1-33.8179.852.40000113.1V424 L434 Y435 N469 K470 K477V424-T473 HydrophobicContact CG1-CG2 4.34Å; V424-T473 HydrophobicContact CG2-CG2 3.72Å; L434-T473 HydrophobicContact CD1-CG2 3.74Å; L434-T473 HydrophobicContact CG-CG2 4.34Å; Y435-T473 VanDerWaalsContact CD1-CB 3.49Å; Y435-T473 HydrophobicContact CD1-CG2 3.8Å; Y435-T473 HydrophobicContact CD2-CG2 4.31Å; Y435-T473 HydrophobicContact CE1-CG2 3.53Å; Y435-T473 HydrophobicContact CE2-CG2 4.07Å; Y435-T473 HydrophobicContact CG-CG2 4.17Å; N469-T473 WeakPolarHBondContact O-CB 3.49Å; N469-T473 WeakPolarHBondContact O-CG2 3.43Å; N469-T473 PolarHBondContact O-N 2.9Å; N469-T473 PolarHBondContact O-OG1 2.95Å; K470-T473 PolarHBondContact O-OG1 3.47Å; T473-K477 WeakPolarHBondContact O-CE 3.5Å; T473-K477 WeakPolarHBondContact O-CG 3.47Å; T473-K477 PolarHBondContact O-N 3.21Å
474S87.4Confident83.9Confident17 Ų1742.8 Ų42.812%0.11922%0.218CC..Hα-helixtrans-67.8-37.8167.7-86.10000113.1G439 V444 K470 T471 I472 K477 N478G439-S474 PolarHBondContact N-OG 2.94Å; V444-S474 VanDerWaalsContact CG2-CB 3.5Å; K470-S474 VanDerWaalsContact O-CB 3.31Å; K470-S474 WeakPolarHBondContact O-CB 3.5Å; K470-S474 PolarHBondContact O-N 2.99Å; K470-S474 PolarHBondContact O-OG 3.04Å; T471-S474 PolarHBondContact O-N 3.5Å; I472-S474 VanDerWaalsContact C-N 3.34Å; I472-S474 PolarHBondContact O-N 3.45Å; S474-K477 PolarHBondContact O-N 3.13Å; S474-N478 VanDerWaalsContact O-CB 3.24Å; S474-N478 WeakPolarHBondContact O-CB 3.42Å; S474-N478 PolarHBondContact O-N 3.49Å
475G84.9Confident84.5Confident0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-60.9-50.4177.200000112.7T471 I472 K477 N478 Y479T471-G475 PolarHBondContact O-N 3.49Å; I472-G475 WeakPolarHBondContact O-CA 3.36Å; I472-G475 PolarHBondContact O-N 2.94Å; G475-K477 PolarHBondContact O-N 3.36Å; G475-N478 PolarHBondContact O-N 3.4Å; G475-N478 VanDerWaalsContact O-N 3.12Å; G475-Y479 PolarHBondContact O-N 3.33Å
476L91.3Very high85.3Confident0 Ų033.2 Ų33.20%017%0.167CC..Hα-helixtrans-56.3-49.5175.6-178.6154.1000111.5V417 C420 V421 Y435 I472 N478 Y479 L480 L530 F555V417-L476 HydrophobicContact CG1-CD1 4.31Å; C420-L476 HydrophobicContact CB-CB 4.19Å; C420-L476 HydrophobicContact CB-CD1 3.83Å; V421-L476 HydrophobicContact CG2-CD1 4.06Å; Y435-L476 HydrophobicContact CE1-CD2 4.12Å; I472-L476 PolarHBondContact O-N 3.34Å; L476-N478 VanDerWaalsContact C-N 3.31Å; L476-N478 PolarHBondContact O-N 3.01Å; L476-Y479 PolarHBondContact O-N 3.2Å; L476-L480 HydrophobicContact CD2-CD1 3.69Å; L476-L480 HydrophobicContact CG-CD1 4.46Å; L476-L480 WeakPolarHBondContact O-CG 3.41Å; L476-L480 PolarHBondContact O-N 3.43Å; L476-L530 HydrophobicContact CD2-CD1 3.96Å; L476-F555 HydrophobicContact CD2-CE1 3.98Å; L476-F555 HydrophobicContact CD2-CZ 4.22Å
477K90.9Very high85.8Confident28 Ų2829 Ų2912%0.12215%0.146CC..Hα-helixtrans-61.3-38.2176.1-71.6179.1-64.3171.70112.3Y435 T473 S474 G475 R481 I554 F555 T558Y435-K477 HydrophobicContact CD1-CD 4.06Å; Y435-K477 HydrophobicContact CD1-CG 4.08Å; Y435-K477 PolarHBondContact O-NZ 3.21Å; T473-K477 WeakPolarHBondContact O-CE 3.5Å; T473-K477 WeakPolarHBondContact O-CG 3.47Å; T473-K477 PolarHBondContact O-N 3.21Å; S474-K477 PolarHBondContact O-N 3.13Å; G475-K477 PolarHBondContact O-N 3.36Å; K477-R481 WeakPolarHBondContact O-CB 3.31Å; K477-R481 PolarHBondContact O-N 3.04Å; K477-I554 HydrophobicContact CD-CG2 3.78Å; K477-F555 HydrophobicContact CG-CE1 4.21Å; K477-F555 HydrophobicContact CG-CZ 4.13Å; K477-T558 HydrophobicContact CB-CG2 4.46Å
478N84.5Confident86Confident34 Ų3428.7 Ų28.718%0.18215%0.145CC..Hα-helixtrans-68.4-44.4-179.9-172.684.4000111.5V444 S474 G475 L476 R481 C482V444-N478 HydrophobicContact CG1-CB 4.27Å; S474-N478 VanDerWaalsContact O-CB 3.24Å; S474-N478 WeakPolarHBondContact O-CB 3.42Å; S474-N478 PolarHBondContact O-N 3.49Å; G475-N478 PolarHBondContact O-N 3.4Å; G475-N478 VanDerWaalsContact O-N 3.12Å; L476-N478 VanDerWaalsContact C-N 3.31Å; L476-N478 PolarHBondContact O-N 3.01Å; N478-R481 PolarHBondContact O-N 2.92Å; N478-C482 WeakPolarHBondContact O-CB 3.37Å; N478-C482 PolarHBondContact O-N 2.74Å; N478-C482 PolarHBondContact O-SG 3.32Å; N478-C482 VanDerWaalsContact O-SG 3.33Å
479Y86.9Confident86Confident17 Ų1726.7 Ų26.77%0.06713%0.134CC..Hα-helixtrans-54.7-55174.3172.5-105.2000111.7G413 F416 V417 M448 F452 G475 L476 R481 C482 L483 M526G413-Y479 WeakPolarHBondContact CA-OH 3.42Å; F416-Y479 HydrophobicContact CD1-CD1 4.35Å; F416-Y479 HydrophobicContact CD1-CD2 4.5Å; F416-Y479 AromaticContact CD1-CG 3.99Å; F416-Y479 HydrophobicContact CD1-CG 3.99Å; F416-Y479 HydrophobicContact CE1-CG 4.25Å; V417-Y479 HydrophobicContact CG2-CD1 3.75Å; V417-Y479 HydrophobicContact CG2-CE1 3.93Å; M448-Y479 HydrophobicContact CE-CD2 4.31Å; F452-Y479 HydrophobicContact CE1-CD2 4.12Å; F452-Y479 AromaticContact CE1-CE2 3.89Å; F452-Y479 HydrophobicContact CE1-CE2 3.89Å; F452-Y479 AromaticContact CE2-CD2 3.83Å; F452-Y479 HydrophobicContact CE2-CD2 3.83Å; F452-Y479 HydrophobicContact CE2-CE2 4.43Å; F452-Y479 AromaticContact CZ-CD2 3.4Å; F452-Y479 HydrophobicContact CZ-CD2 3.4Å; F452-Y479 VanDerWaalsContact CZ-CD2 3.4Å; F452-Y479 AromaticContact CZ-CE2 3.61Å; F452-Y479 HydrophobicContact CZ-CE2 3.61Å; F452-Y479 HydrophobicContact CZ-CG 4.22Å; G475-Y479 PolarHBondContact O-N 3.33Å; L476-Y479 PolarHBondContact O-N 3.2Å; Y479-R481 PolarHBondContact O-N 3.03Å; Y479-C482 PolarHBondContact O-N 3.09Å; Y479-L483 HydrophobicContact CE1-CD2 4.26Å; Y479-L483 HydrophobicContact CE2-CD2 4.13Å; Y479-L483 PolarHBondContact O-N 3.48Å; Y479-M526 HydrophobicContact CE1-CE 4.06Å; Y479-M526 HydrophobicContact CE1-SD 3.97Å
480L87.4Confident85.7Confident0 Ų027.9 Ų27.90%014%0.138CC..Hα-helixtrans-61-31.5179.7-63.8171.4000112.9L476 L483 L487 M526 L530 T558 L559 R561L476-L480 HydrophobicContact CD2-CD1 3.69Å; L476-L480 HydrophobicContact CG-CD1 4.46Å; L476-L480 WeakPolarHBondContact O-CG 3.41Å; L476-L480 PolarHBondContact O-N 3.43Å; L480-L483 HydrophobicContact CD2-CD1 4.43Å; L480-L487 HydrophobicContact CD2-CD2 4.4Å; L480-M526 HydrophobicContact CD2-CG 4.49Å; L480-M526 HydrophobicContact CD2-SD 3.85Å; L480-L530 HydrophobicContact CD1-CD1 4.45Å; L480-L530 HydrophobicContact CD1-CD2 3.63Å; L480-T558 HydrophobicContact CB-CG2 4.11Å; L480-L559 HydrophobicContact CD1-CD2 4.1Å; L480-R561 PolarHBondContact O-NH1 2.8Å; L480-R561 PolarHBondContact O-NH2 2.87Å
481R83.3Confident85.5Confident124 Ų12431.9 Ų31.947%0.46816%0.156SC..Hα-helixtrans-74.2-28.4176.3-171.3171-63.9-164.5-3.6113.6K477 N478 Y479 T558 R561K477-R481 WeakPolarHBondContact O-CB 3.31Å; K477-R481 PolarHBondContact O-N 3.04Å; N478-R481 PolarHBondContact O-N 2.92Å; Y479-R481 PolarHBondContact O-N 3.03Å; R481-T558 PolarHBondContact NH2-OG1 3.38Å; R481-R561 PolarHBondContact O-NE 3.35Å; R481-R561 PolarHBondContact O-NH2 2.85Å
482C79.9Confident85.4Confident75 Ų7532.7 Ų32.751%0.50716%0.16SC..Hα-helixtrans-93.6-3.4-176.2-71.30000114.9N478 Y479N478-C482 WeakPolarHBondContact O-CB 3.37Å; N478-C482 PolarHBondContact O-N 2.74Å; N478-C482 PolarHBondContact O-SG 3.32Å; N478-C482 VanDerWaalsContact O-SG 3.33Å; Y479-C482 PolarHBondContact O-N 3.09Å
483L80.4Confident85.2Confident12 Ų1233.4 Ų33.46%0.06316%0.163CC..SBendtrans-56.3143.6170.7-62.6172.3000111.8L409 Y479 L480 E485 R561L409-L483 HydrophobicContact CD1-CD1 4.02Å; L409-L483 HydrophobicContact CD1-CD2 4.41Å; L409-L483 HydrophobicContact CG-CD1 4.4Å; L409-L483 HydrophobicContact CG-CD2 4.36Å; Y479-L483 HydrophobicContact CE1-CD2 4.26Å; Y479-L483 HydrophobicContact CE2-CD2 4.13Å; Y479-L483 PolarHBondContact O-N 3.48Å; L480-L483 HydrophobicContact CD2-CD1 4.43Å; L483-E485 WeakPolarHBondContact CB-O 3.44Å; L483-E485 PolarHBondContact O-N 2.92Å; L483-R561 PolarHBondContact O-NH2 3.19Å
484S72.5Confident84.8Confident45 Ų4539.1 Ų39.132%0.31519%0.187SC..SBendtrans-58.9-31.9178.457.30000113.4T407T407-S484 WeakPolarHBondContact O-CB 3.26Å; T407-S484 PolarHBondContact O-N 2.8Å; T407-S484 PolarHBondContact O-OG 3.45Å; T407-S484 VanDerWaalsContact O-OG 3.09Å; T407-S484 WeakPolarHBondContact OG1-CB 3.39Å
485E79.6Confident84.8Confident70 Ų7040.5 Ų40.533%0.32719%0.194SC..SBendtrans-125.7138.9172.5-169.3171.1-165.300107.9L483 T489 F490L483-E485 WeakPolarHBondContact CB-O 3.44Å; L483-E485 PolarHBondContact O-N 2.92Å; E485-T489 WeakPolarHBondContact OE1-CA 3.28Å; E485-T489 VanDerWaalsContact OE1-CB 3.24Å; E485-T489 WeakPolarHBondContact OE1-CB 3.28Å; E485-F490 HydrophobicContact CB-CD2 4.41Å; E485-F490 HydrophobicContact CG-CD2 3.74Å; E485-F490 HydrophobicContact CG-CE2 4.27Å; E485-F490 HydrophobicContact CG-CG 4.25Å; E485-F490 PolarHBondContact OE1-N 3.47Å
486P86.6Confident85Confident0 Ų040.5 Ų40.50%019%0.194CC..  trans-57.1151.7171.224-35.2000111.5M488 T489 F490 L559 R561P486-M488 PolarHBondContact O-N 3.2Å; P486-M488 VanDerWaalsContact O-N 3.12Å; P486-T489 WeakPolarHBondContact O-CA 3.34Å; P486-T489 PolarHBondContact O-N 2.82Å; P486-F490 VanDerWaalsContact CD-CE1 3.42Å; P486-F490 HydrophobicContact CG-CD1 3.67Å; P486-F490 HydrophobicContact CG-CE1 3.74Å; P486-F490 HydrophobicContact CG-CG 4.12Å; P486-F490 HydrophobicContact CG-CZ 4.23Å; P486-L559 WeakPolarHBondContact CB-O 3.25Å; P486-R561 HydrophobicContact CB-CB 4.1Å; P486-R561 HydrophobicContact CB-CG 4.47Å; P486-R561 HydrophobicContact CG-CB 4.28Å
487L88.3Confident84.9Confident0 Ų040.9 Ų40.90%020%0.196CC..THydrogen-bonded Turntrans-57-34.8-176-171.161.8000112.4L409 L480 T489 N523 M526 L527 L559L409-L487 HydrophobicContact CD1-CD1 4.37Å; L409-L487 HydrophobicContact CD2-CD1 3.94Å; L480-L487 HydrophobicContact CD2-CD2 4.4Å; L487-T489 PolarHBondContact O-N 3.06Å; L487-N523 HydrophobicContact CD1-CB 4.21Å; L487-N523 WeakPolarHBondContact O-CB 3.37Å; L487-N523 PolarHBondContact O-ND2 3.49Å; L487-M526 HydrophobicContact CD1-CB 4.07Å; L487-M526 HydrophobicContact CD1-CG 4.17Å; L487-M526 HydrophobicContact CD1-SD 4.34Å; L487-M526 HydrophobicContact CD2-CG 4.25Å; L487-L527 HydrophobicContact CD2-CB 3.94Å; L487-L527 HydrophobicContact CD2-CD1 3.94Å; L487-L527 HydrophobicContact CG-CB 4.32Å; L487-L559 HydrophobicContact CB-CD2 4.18Å; L487-L559 HydrophobicContact CD2-CD2 3.95Å
488M88.1Confident84.6Confident1 Ų143 Ų431%0.00521%0.207CC..THydrogen-bonded Turntrans-81.16.2177.5-64.6-79.5-81.600114.4P486 F496 L519 L527 L559 M560 V579 L583P486-M488 PolarHBondContact O-N 3.2Å; P486-M488 VanDerWaalsContact O-N 3.12Å; M488-F496 HydrophobicContact CB-CE2 4.39Å; M488-F496 HydrophobicContact CE-CD1 3.73Å; M488-F496 HydrophobicContact CE-CD2 3.87Å; M488-F496 HydrophobicContact CE-CE1 3.53Å; M488-F496 HydrophobicContact CE-CE2 3.68Å; M488-F496 HydrophobicContact CE-CG 3.9Å; M488-F496 HydrophobicContact CE-CZ 3.51Å; M488-F496 HydrophobicContact SD-CE2 4.23Å; M488-F496 HydrophobicContact SD-CZ 4.09Å; M488-L519 WeakPolarHBondContact O-CD2 3.23Å; M488-L519 HydrophobicContact SD-CD1 4.2Å; M488-L527 HydrophobicContact SD-CD1 4.1Å; M488-L527 HydrophobicContact SD-CD2 3.6Å; M488-L559 HydrophobicContact CG-CB 4.24Å; M488-L559 PolarHBondContact N-O 3.45Å; M488-M560 HydrophobicContact CB-CG 3.84Å; M488-M560 HydrophobicContact CE-CE 4.43Å; M488-M560 HydrophobicContact CE-CG 4.21Å; M488-M560 HydrophobicContact CE-SD 3.97Å; M488-M560 HydrophobicContact CG-CG 3.66Å; M488-V579 HydrophobicContact CE-CG1 3.49Å; M488-V579 VanDerWaalsContact CE-CG1 3.49Å; M488-L583 HydrophobicContact CE-CD1 4.1Å; M488-L583 HydrophobicContact SD-CD1 4.37Å
489T86.4Confident84.8Confident7 Ų741.4 Ų41.44%0.04320%0.198CC..  trans64149.4-172.672.60000115.3E485 P486 L487 K491 L492 H493 L519 P520E485-T489 WeakPolarHBondContact OE1-CA 3.28Å; E485-T489 VanDerWaalsContact OE1-CB 3.24Å; E485-T489 WeakPolarHBondContact OE1-CB 3.28Å; P486-T489 WeakPolarHBondContact O-CA 3.34Å; P486-T489 PolarHBondContact O-N 2.82Å; L487-T489 PolarHBondContact O-N 3.06Å; T489-K491 VanDerWaalsContact C-N 3.3Å; T489-L492 WeakPolarHBondContact OG1-CB 3.35Å; T489-L492 PolarHBondContact OG1-N 3Å; T489-H493 PolarHBondContact O-N 2.99Å; T489-L519 HydrophobicContact CG2-CD2 3.92Å; T489-P520 HydrophobicContact CG2-CG 4.11Å
490F82.1Confident84.9Confident58 Ų5840.8 Ų40.825%0.25420%0.196SC..SBendtrans-70.3-33.5166.6-71-54.1000110.6E485 P486 H493 R561 Q563E485-F490 HydrophobicContact CB-CD2 4.41Å; E485-F490 HydrophobicContact CG-CD2 3.74Å; E485-F490 HydrophobicContact CG-CE2 4.27Å; E485-F490 HydrophobicContact CG-CG 4.25Å; E485-F490 PolarHBondContact OE1-N 3.47Å; P486-F490 VanDerWaalsContact CD-CE1 3.42Å; P486-F490 HydrophobicContact CG-CD1 3.67Å; P486-F490 HydrophobicContact CG-CE1 3.74Å; P486-F490 HydrophobicContact CG-CG 4.12Å; P486-F490 HydrophobicContact CG-CZ 4.23Å; F490-H493 WeakPolarHBondContact O-CB 3.33Å; F490-H493 PolarHBondContact O-N 2.65Å; F490-R561 HydrophobicContact CE1-CB 4.47Å; F490-R561 WeakPolarHBondContact CE1-O 3.28Å; F490-Q563 HydrophobicContact CB-CB 4.47Å; F490-Q563 HydrophobicContact CD1-CB 3.69Å; F490-Q563 HydrophobicContact CD1-CG 4.32Å; F490-Q563 HydrophobicContact CE1-CB 4.05Å; F490-Q563 HydrophobicContact CG-CB 4.12Å; F490-Q563 HydrophobicContact CG-CG 4.4Å
491K84.3Confident84.9Confident179 Ų17943.4 Ų43.478%0.77821%0.208SC*.THydrogen-bonded Turntrans-62.6-47.5-177-172.9178.4178.5-176.70113.1T489T489-K491 VanDerWaalsContact C-N 3.3Å
492L85.8Confident84.8Confident16 Ų1639.3 Ų39.38%0.08420%0.198CC..THydrogen-bonded Turntrans-87.6-4.7180-59.6178.1000113.4T489 K494 D495 F496 L515 K518 L519T489-L492 WeakPolarHBondContact OG1-CB 3.35Å; T489-L492 PolarHBondContact OG1-N 3Å; L492-K494 VanDerWaalsContact C-N 3.32Å; L492-K494 PolarHBondContact O-N 3.24Å; L492-D495 PolarHBondContact O-N 3.4Å; L492-F496 HydrophobicContact CB-CD2 3.84Å; L492-F496 HydrophobicContact CB-CE2 3.74Å; L492-F496 HydrophobicContact CD1-CE2 4.25Å; L492-F496 VanDerWaalsContact O-CD2 3.3Å; L492-F496 WeakPolarHBondContact O-CD2 3.35Å; L492-F496 PolarHBondContact O-N 3.11Å; L492-L515 HydrophobicContact CD2-CD2 4.34Å; L492-K518 HydrophobicContact CD1-CB 3.97Å; L492-L519 HydrophobicContact CD1-CD2 4.01Å; L492-L519 HydrophobicContact CD1-CG 4.35Å
493H86.2Confident84.6Confident16 Ų1640.7 Ų40.77%0.07420%0.2CC..Hα-helixtrans-52.9-47.5-177.4178.493.3000112.4T489 F490 D495 I497 M560T489-H493 PolarHBondContact O-N 2.99Å; F490-H493 WeakPolarHBondContact O-CB 3.33Å; F490-H493 PolarHBondContact O-N 2.65Å; H493-D495 VanDerWaalsContact C-N 3.33Å; H493-D495 PolarHBondContact O-N 2.62Å; H493-I497 VanDerWaalsContact O-CG1 3.26Å; H493-I497 WeakPolarHBondContact O-CG1 3.33Å; H493-I497 PolarHBondContact O-N 2.96Å; H493-I497 VanDerWaalsContact O-N 3.16Å; H493-M560 PolarHBondContact CE1-O 3.21Å; H493-M560 PolarHBondContact ND1-O 3.23Å
494K83.3Confident84.6Confident122 Ų12244 Ų4453%0.5322%0.218SC..Hα-helixtrans-66.5-35.8179.6-65-170.2179.1-1740111.9L492 I497 M498 E564L492-K494 VanDerWaalsContact C-N 3.32Å; L492-K494 PolarHBondContact O-N 3.24Å; K494-I497 PolarHBondContact O-N 3.14Å; K494-M498 WeakPolarHBondContact O-CB 3.22Å; K494-M498 WeakPolarHBondContact O-CG 3.38Å; K494-M498 PolarHBondContact O-N 2.89Å; K494-E564 VanDerWaalsContact CE-OE1 3.25Å; K494-E564 WeakPolarHBondContact CE-OE1 3.38Å; K494-E564 IonicContact NZ-OE1 2.74Å; K494-E564 PolarHBondContact NZ-OE1 2.59Å
495D87.7Confident85.1Confident47 Ų4747.7 Ų47.725%0.25123%0.23SC..Hα-helixtrans-68.5-44.6179.1-59.4-17.2000111.7L492 H493 I497 M498 A499 L515L492-D495 PolarHBondContact O-N 3.4Å; H493-D495 VanDerWaalsContact C-N 3.33Å; H493-D495 PolarHBondContact O-N 2.62Å; D495-I497 VanDerWaalsContact C-N 3.34Å; D495-I497 PolarHBondContact O-N 2.97Å; D495-M498 PolarHBondContact O-N 2.97Å; D495-A499 WeakPolarHBondContact O-CB 3.23Å; D495-A499 PolarHBondContact O-N 3.02Å; D495-L515 HydrophobicContact CB-CD1 4.02Å; D495-L515 HydrophobicContact CB-CD2 3.71Å
496F90Very high85.3Confident0 Ų050.1 Ų50.10%025%0.245CC..Hα-helixtrans-61.2-41.9175-79.9-70.3000111.9M488 L492 A499 V500 V512 L515 V516 L519 M560 V579M488-F496 HydrophobicContact CB-CE2 4.39Å; M488-F496 HydrophobicContact CE-CD1 3.73Å; M488-F496 HydrophobicContact CE-CD2 3.87Å; M488-F496 HydrophobicContact CE-CE1 3.53Å; M488-F496 HydrophobicContact CE-CE2 3.68Å; M488-F496 HydrophobicContact CE-CG 3.9Å; M488-F496 HydrophobicContact CE-CZ 3.51Å; M488-F496 HydrophobicContact SD-CE2 4.23Å; M488-F496 HydrophobicContact SD-CZ 4.09Å; L492-F496 HydrophobicContact CB-CD2 3.84Å; L492-F496 HydrophobicContact CB-CE2 3.74Å; L492-F496 HydrophobicContact CD1-CE2 4.25Å; L492-F496 VanDerWaalsContact O-CD2 3.3Å; L492-F496 WeakPolarHBondContact O-CD2 3.35Å; L492-F496 PolarHBondContact O-N 3.11Å; F496-A499 WeakPolarHBondContact O-CB 3.45Å; F496-A499 PolarHBondContact O-N 3.27Å; F496-V500 PolarHBondContact O-N 2.96Å; F496-V512 HydrophobicContact CE1-CG1 4.32Å; F496-L515 HydrophobicContact CD1-CB 3.82Å; F496-L515 HydrophobicContact CD1-CD1 3.86Å; F496-L515 HydrophobicContact CE1-CB 3.35Å; F496-L515 HydrophobicContact CE1-CD1 4.29Å; F496-L515 HydrophobicContact CE1-CG 4.46Å; F496-L515 HydrophobicContact CE2-CB 4.22Å; F496-L515 HydrophobicContact CG-CB 4.42Å; F496-L515 HydrophobicContact CG-CD1 4.11Å; F496-L515 HydrophobicContact CZ-CB 3.58Å; F496-V516 HydrophobicContact CE1-CG2 4.17Å; F496-V516 HydrophobicContact CZ-CG2 4.31Å; F496-L519 HydrophobicContact CE2-CD2 4.29Å; F496-L519 HydrophobicContact CZ-CD1 4.43Å; F496-L519 HydrophobicContact CZ-CG 4.47Å; F496-M560 HydrophobicContact CB-CE 3.45Å; F496-M560 VanDerWaalsContact CB-CE 3.45Å; F496-M560 HydrophobicContact CD2-CE 4.45Å; F496-M560 HydrophobicContact CG-CE 4.14Å; F496-V579 HydrophobicContact CB-CG2 4.34Å; F496-V579 HydrophobicContact CD1-CG1 4.17Å
497I88.3Confident85.4Confident8 Ų852.8 Ų52.84%0.04126%0.256CS..Hα-helixtrans-68.1-37.4177.4-63.1-65.4000111.4H493 K494 D495 K501 M560 N572 F575 Q576H493-I497 VanDerWaalsContact O-CG1 3.26Å; H493-I497 WeakPolarHBondContact O-CG1 3.33Å; H493-I497 PolarHBondContact O-N 2.96Å; H493-I497 VanDerWaalsContact O-N 3.16Å; K494-I497 PolarHBondContact O-N 3.14Å; D495-I497 VanDerWaalsContact C-N 3.34Å; D495-I497 PolarHBondContact O-N 2.97Å; I497-K501 HydrophobicContact CG2-CD 4.19Å; I497-K501 WeakPolarHBondContact O-CB 3.3Å; I497-K501 VanDerWaalsContact O-CG 3.24Å; I497-K501 WeakPolarHBondContact O-CG 3.38Å; I497-K501 PolarHBondContact O-N 3.42Å; I497-M560 HydrophobicContact CD1-CE 4.04Å; I497-M560 HydrophobicContact CG1-CE 4.26Å; I497-N572 HydrophobicContact CD1-CB 4.4Å; I497-N572 HydrophobicContact CG2-CB 4.06Å; I497-F575 HydrophobicContact CD1-CB 3.82Å; I497-F575 HydrophobicContact CG2-CB 4.33Å; I497-Q576 HydrophobicContact CD1-CG 3.72Å
498M85.4Confident85.5Confident73 Ų7353.7 Ų53.736%0.3626%0.259SS..Hα-helixtrans-67.8-37.1172.6-72.9-172.9-65.500112.3K494 D495 K501 P602K494-M498 WeakPolarHBondContact O-CB 3.22Å; K494-M498 WeakPolarHBondContact O-CG 3.38Å; K494-M498 PolarHBondContact O-N 2.89Å; D495-M498 PolarHBondContact O-N 2.97Å; M498-K501 PolarHBondContact O-N 3.43Å; M498-P602 HydrophobicContact CB-CB 3.75Å; M498-P602 HydrophobicContact CB-CG 4.31Å; M498-P602 HydrophobicContact CE-CB 4.08Å
499A88.2Confident85.6Confident0 Ų054.1 Ų54.10%026%0.262CS..Hα-helixtrans-59.8-47178.300000112.2D495 F496 K501 S502 R508 A511 V512 L515 P602D495-A499 WeakPolarHBondContact O-CB 3.23Å; D495-A499 PolarHBondContact O-N 3.02Å; F496-A499 WeakPolarHBondContact O-CB 3.45Å; F496-A499 PolarHBondContact O-N 3.27Å; A499-K501 VanDerWaalsContact C-N 3.34Å; A499-K501 PolarHBondContact O-N 3.24Å; A499-S502 PolarHBondContact O-N 3.39Å; A499-R508 WeakPolarHBondContact O-CG 3.28Å; A499-A511 HydrophobicContact CB-CB 3.72Å; A499-V512 HydrophobicContact CB-CG2 4.44Å; A499-L515 HydrophobicContact CB-CD1 3.93Å; A499-P602 HydrophobicContact CB-CG 4.11Å
500V89.6Confident85.7Confident3 Ų355.3 Ų55.32%0.01827%0.27CS..Hα-helixtrans-82.5-6.3-179.1-58.30000115F496 R508 V512 F575 I578 V579 I582F496-V500 PolarHBondContact O-N 2.96Å; V500-R508 WeakPolarHBondContact O-CD 3.36Å; V500-V512 HydrophobicContact CG1-CG2 3.76Å; V500-F575 HydrophobicContact CG2-CB 3.77Å; V500-F575 HydrophobicContact CG2-CD1 4.17Å; V500-F575 HydrophobicContact CG2-CG 4.38Å; V500-I578 HydrophobicContact CB-CG2 4.03Å; V500-I578 HydrophobicContact CG1-CG2 4.28Å; V500-V579 HydrophobicContact CB-CG2 4.25Å; V500-V579 HydrophobicContact CG1-CB 4.41Å; V500-V579 HydrophobicContact CG1-CG2 3.47Å; V500-V579 VanDerWaalsContact CG1-CG2 3.47Å; V500-V579 HydrophobicContact CG2-CG2 3.78Å; V500-I582 HydrophobicContact CG1-CD1 3.74Å
501K86.1Confident86Confident56 Ų5652.6 Ų52.624%0.24326%0.259CS..THydrogen-bonded Turntrans-82.65.1169.8-80.5178.9176.9-171.70113.6A75 I497 M498 A499 N572 F575A75-K501 HydrophobicContact CB-CB 4.29Å; A75-K501 HydrophobicContact CB-CD 3.72Å; A75-K501 HydrophobicContact CB-CG 3.77Å; I497-K501 HydrophobicContact CG2-CD 4.19Å; I497-K501 WeakPolarHBondContact O-CB 3.3Å; I497-K501 VanDerWaalsContact O-CG 3.24Å; I497-K501 WeakPolarHBondContact O-CG 3.38Å; I497-K501 PolarHBondContact O-N 3.42Å; M498-K501 PolarHBondContact O-N 3.43Å; A499-K501 VanDerWaalsContact C-N 3.34Å; A499-K501 PolarHBondContact O-N 3.24Å; K501-N572 VanDerWaalsContact CE-OD1 3.26Å; K501-N572 WeakPolarHBondContact CE-OD1 3.28Å; K501-N572 PolarHBondContact NZ-OD1 2.94Å; K501-F575 HydrophobicContact CD-CD2 4.43Å; K501-F575 HydrophobicContact CD-CE2 4.32Å; K501-F575 HydrophobicContact CG-CD1 3.89Å; K501-F575 HydrophobicContact CG-CD2 4.15Å; K501-F575 HydrophobicContact CG-CE1 3.77Å; K501-F575 HydrophobicContact CG-CE2 4.07Å; K501-F575 HydrophobicContact CG-CG 4.09Å; K501-F575 HydrophobicContact CG-CZ 3.88Å
502S83.2Confident86.4Confident38 Ų3844.1 Ų44.127%0.26622%0.222SC..SBendtrans-86136.7175.6-173.80000111.8A499 D504 Y507 R508A499-S502 PolarHBondContact O-N 3.39Å; S502-D504 PolarHBondContact O-N 3.04Å; S502-Y507 VanDerWaalsContact CB-CD1 3.5Å; S502-Y507 WeakPolarHBondContact OG-CD1 3.31Å; S502-R508 WeakPolarHBondContact O-CD 3.28Å; S502-R508 VanDerWaalsContact O-CG 3.31Å; S502-R508 WeakPolarHBondContact O-CG 3.46Å; S502-R508 PolarHBondContact O-NE 3.45Å
503D74.4Confident86.7Confident104 Ų10443.7 Ų43.756%0.55622%0.219SC*.SBendtrans-61.5-22.2178.3-53.2-33.4000113.6
504D80.3Confident86.9Confident80 Ų8043.6 Ų43.643%0.42822%0.221SC..  trans-92.6109.8-176.5179.6-6.7000111.7S502 N506 Y507 R508S502-D504 PolarHBondContact O-N 3.04Å; D504-N506 VanDerWaalsContact C-N 3.29Å; D504-N506 PolarHBondContact O-N 2.88Å; D504-N506 WeakPolarHBondContact OD1-CB 3.32Å; D504-N506 PolarHBondContact OD1-N 3.34Å; D504-Y507 WeakPolarHBondContact O-CB 3.47Å; D504-Y507 PolarHBondContact O-N 3.46Å; D504-Y507 PolarHBondContact OD1-N 3.09Å; D504-R508 WeakPolarHBondContact O-CG 3.45Å; D504-R508 PolarHBondContact O-N 3.4Å
505Q82.4Confident87.3Confident123 Ų12337.8 Ų37.858%0.57520%0.196SC*.Hα-helixtrans-57.8-35.2177.9-168.9178.67.300113.8R508 V509Q505-R508 PolarHBondContact O-N 3.49Å; Q505-V509 WeakPolarHBondContact O-CG2 3.48Å; Q505-V509 PolarHBondContact O-N 3.48Å; Q505-V509 VanDerWaalsContact O-N 3.08Å
506N84.8Confident87.5Confident121 Ų12135.5 Ų35.565%0.64718%0.184SC*.Hα-helixtrans-70-41.8177.4-67.1-63.8000110.8D504 V509 C510D504-N506 VanDerWaalsContact C-N 3.29Å; D504-N506 PolarHBondContact O-N 2.88Å; D504-N506 WeakPolarHBondContact OD1-CB 3.32Å; D504-N506 PolarHBondContact OD1-N 3.34Å; N506-V509 PolarHBondContact O-N 3.03Å; N506-C510 WeakPolarHBondContact O-CB 3.38Å; N506-C510 PolarHBondContact O-N 2.98Å; N506-C510 PolarHBondContact O-SG 3.49Å; N506-C510 VanDerWaalsContact O-SG 3.38Å
507Y88.5Confident87.5Confident56 Ų5638.2 Ų38.222%0.2220%0.197CC..Hα-helixtrans-61.7-45.4172.2178.8-93.4000111.4S502 D504 V509 C510 A511 V599 P600S502-Y507 VanDerWaalsContact CB-CD1 3.5Å; S502-Y507 WeakPolarHBondContact OG-CD1 3.31Å; D504-Y507 WeakPolarHBondContact O-CB 3.47Å; D504-Y507 PolarHBondContact O-N 3.46Å; D504-Y507 PolarHBondContact OD1-N 3.09Å; Y507-V509 PolarHBondContact O-N 2.86Å; Y507-C510 PolarHBondContact O-N 3.25Å; Y507-A511 HydrophobicContact CD1-CB 4.36Å; Y507-A511 HydrophobicContact CE1-CB 3.97Å; Y507-A511 HydrophobicContact CE2-CB 4.47Å; Y507-A511 WeakPolarHBondContact O-CB 3.47Å; Y507-A511 PolarHBondContact O-N 3.28Å; Y507-V599 HydrophobicContact CE2-CG1 4.45Å; Y507-P600 VanDerWaalsContact CE2-O 3.25Å; Y507-P600 WeakPolarHBondContact CE2-O 3.4Å; Y507-P600 PolarHBondContact OH-O 3.11Å
508R91.1Very high87.6Confident20 Ų2043 Ų438%0.07522%0.217CC..Hα-helixtrans-52.6-51.1176.3-71.2-169.9-86.2174.3-8.2111.5D78 A499 V500 S502 D504 Q505 V512 I582D78-R508 IonicContact OD1-NH2 3.84Å; D78-R508 PolarHBondContact OD1-NH2 2.77Å; D78-R508 IonicContact OD2-CZ 2.84Å; D78-R508 IonicContact OD2-NH1 2.99Å; D78-R508 PolarHBondContact OD2-NH1 3.21Å; D78-R508 IonicContact OD2-NH2 2.84Å; D78-R508 PolarHBondContact OD2-NH2 2.81Å; A499-R508 WeakPolarHBondContact O-CG 3.28Å; V500-R508 WeakPolarHBondContact O-CD 3.36Å; S502-R508 WeakPolarHBondContact O-CD 3.28Å; S502-R508 VanDerWaalsContact O-CG 3.31Å; S502-R508 WeakPolarHBondContact O-CG 3.46Å; S502-R508 PolarHBondContact O-NE 3.45Å; D504-R508 WeakPolarHBondContact O-CG 3.45Å; D504-R508 PolarHBondContact O-N 3.4Å; Q505-R508 PolarHBondContact O-N 3.49Å; R508-V512 WeakPolarHBondContact O-CB 3.49Å; R508-V512 VanDerWaalsContact O-CG2 3.27Å; R508-V512 WeakPolarHBondContact O-CG2 3.46Å; R508-V512 PolarHBondContact O-N 2.91Å; R508-I582 HydrophobicContact CB-CD1 4.03Å
509V90Very high87.9Confident9 Ų940.1 Ų40.16%0.05520%0.203CC..Hα-helixtrans-62.4-48.5177.9174.80000111.7Q505 N506 Y507 V512 H513 I582 N586 K589Q505-V509 WeakPolarHBondContact O-CG2 3.48Å; Q505-V509 PolarHBondContact O-N 3.48Å; Q505-V509 VanDerWaalsContact O-N 3.08Å; N506-V509 PolarHBondContact O-N 3.03Å; Y507-V509 PolarHBondContact O-N 2.86Å; V509-V512 PolarHBondContact O-N 3.43Å; V509-H513 VanDerWaalsContact O-CB 3.3Å; V509-H513 WeakPolarHBondContact O-CB 3.45Å; V509-H513 PolarHBondContact O-N 3.31Å; V509-I582 HydrophobicContact CG2-CG2 4.16Å; V509-N586 HydrophobicContact CG1-CB 4.09Å; V509-N586 WeakPolarHBondContact CG1-OD1 3.08Å; V509-K589 HydrophobicContact CG1-CD 4.05Å
510C88Confident88Confident33 Ų3343.1 Ų43.122%0.22322%0.223CC..Hα-helixtrans-69.3-33.4-177-70.20000113.3N506 Y507 A514 K589 V599N506-C510 WeakPolarHBondContact O-CB 3.38Å; N506-C510 PolarHBondContact O-N 2.98Å; N506-C510 PolarHBondContact O-SG 3.49Å; N506-C510 VanDerWaalsContact O-SG 3.38Å; Y507-C510 PolarHBondContact O-N 3.25Å; C510-A514 WeakPolarHBondContact O-CB 3.33Å; C510-A514 PolarHBondContact O-N 2.93Å; C510-K589 PolarHBondContact SG-NZ 2.86Å; C510-V599 HydrophobicContact CB-CG1 4.32Å; C510-V599 HydrophobicContact CB-CG2 3.97Å
511A89.3Confident87.9Confident1 Ų150.3 Ų50.31%0.00826%0.256CS..Hα-helixtrans-71.8-42174.700000111.6A499 Y507 H513 A514 L515A499-A511 HydrophobicContact CB-CB 3.72Å; Y507-A511 HydrophobicContact CD1-CB 4.36Å; Y507-A511 HydrophobicContact CE1-CB 3.97Å; Y507-A511 HydrophobicContact CE2-CB 4.47Å; Y507-A511 WeakPolarHBondContact O-CB 3.47Å; Y507-A511 PolarHBondContact O-N 3.28Å; A511-H513 VanDerWaalsContact C-N 3.34Å; A511-A514 PolarHBondContact O-N 3.07Å; A511-L515 WeakPolarHBondContact O-CB 3.32Å; A511-L515 VanDerWaalsContact O-CG 3.24Å; A511-L515 WeakPolarHBondContact O-CG 3.27Å; A511-L515 PolarHBondContact O-N 2.87Å
512V92.7Very high88Confident0 Ų053.8 Ų53.80%027%0.267CS..Hα-helixtrans-61.8-42.5171.8171.40000110.8F496 A499 V500 R508 V509 L515 V516 V579 I582 L583 I590F496-V512 HydrophobicContact CE1-CG1 4.32Å; A499-V512 HydrophobicContact CB-CG2 4.44Å; V500-V512 HydrophobicContact CG1-CG2 3.76Å; R508-V512 WeakPolarHBondContact O-CB 3.49Å; R508-V512 VanDerWaalsContact O-CG2 3.27Å; R508-V512 WeakPolarHBondContact O-CG2 3.46Å; R508-V512 PolarHBondContact O-N 2.91Å; V509-V512 PolarHBondContact O-N 3.43Å; V512-L515 PolarHBondContact O-N 3.24Å; V512-V516 HydrophobicContact CG1-CG2 4.44Å; V512-V516 WeakPolarHBondContact O-CG2 3.24Å; V512-V516 PolarHBondContact O-N 2.94Å; V512-V579 HydrophobicContact CG1-CG1 4.48Å; V512-I582 HydrophobicContact CB-CG2 4.12Å; V512-I582 HydrophobicContact CG1-CG2 4.03Å; V512-I582 HydrophobicContact CG2-CG2 4.33Å; V512-L583 HydrophobicContact CG1-CD2 4.05Å; V512-L583 HydrophobicContact CG1-CG 4.33Å; V512-I590 HydrophobicContact CG1-CD1 4.26Å
513H92.2Very high88.4Confident7 Ų752.8 Ų52.83%0.03226%0.259CS..Hα-helixtrans-56.5-51.2174.3-175.4-172.8000111.9V509 A511 L515 V516 H517 K589 I590 Q593 P594V509-H513 VanDerWaalsContact O-CB 3.3Å; V509-H513 WeakPolarHBondContact O-CB 3.45Å; V509-H513 PolarHBondContact O-N 3.31Å; A511-H513 VanDerWaalsContact C-N 3.34Å; H513-L515 VanDerWaalsContact C-N 3.29Å; H513-L515 PolarHBondContact O-N 2.92Å; H513-V516 PolarHBondContact O-N 3.02Å; H513-H517 AromaticContact CD2-CD2 3.62Å; H513-H517 AromaticContact CD2-NE2 3.66Å; H513-H517 AromaticContact NE2-NE2 3.63Å; H513-H517 PolarHBondContact O-CD2 3.27Å; H513-H517 PolarHBondContact O-N 2.9Å; H513-K589 PolarHBondContact CE1-O 3.1Å; H513-K589 VanDerWaalsContact CE1-O 3.28Å; H513-K589 PolarHBondContact NE2-O 3.02Å; H513-I590 HydrophobicContact CB-CG1 4.09Å; H513-I590 PolarHBondContact CD2-O 3.02Å; H513-I590 VanDerWaalsContact CD2-O 3.29Å; H513-I590 PolarHBondContact NE2-O 3.28Å; H513-Q593 PolarHBondContact NE2-O 3.37Å; H513-P594 PolarHBondContact CE1-O 3.22Å
514A90Very high89.2Confident14 Ų1451 Ų5112%0.11625%0.245CC..Hα-helixtrans-64.4-29177.700000113.6C510 A511 K518 P595C510-A514 WeakPolarHBondContact O-CB 3.33Å; C510-A514 PolarHBondContact O-N 2.93Å; A511-A514 PolarHBondContact O-N 3.07Å; A514-K518 WeakPolarHBondContact O-CG 3.49Å; A514-P595 HydrophobicContact CB-CB 4.32Å
515L91.5Very high89.8Confident0 Ų051.1 Ų51.10%024%0.243CC..Hα-helixtrans-79.6-33.3176.2-71.2168.7000112.9L492 D495 F496 A499 A511 V512 H513 H517 K518 L519 L601L492-L515 HydrophobicContact CD2-CD2 4.34Å; D495-L515 HydrophobicContact CB-CD1 4.02Å; D495-L515 HydrophobicContact CB-CD2 3.71Å; F496-L515 HydrophobicContact CD1-CB 3.82Å; F496-L515 HydrophobicContact CD1-CD1 3.86Å; F496-L515 HydrophobicContact CE1-CB 3.35Å; F496-L515 HydrophobicContact CE1-CD1 4.29Å; F496-L515 HydrophobicContact CE1-CG 4.46Å; F496-L515 HydrophobicContact CE2-CB 4.22Å; F496-L515 HydrophobicContact CG-CB 4.42Å; F496-L515 HydrophobicContact CG-CD1 4.11Å; F496-L515 HydrophobicContact CZ-CB 3.58Å; A499-L515 HydrophobicContact CB-CD1 3.93Å; A511-L515 WeakPolarHBondContact O-CB 3.32Å; A511-L515 VanDerWaalsContact O-CG 3.24Å; A511-L515 WeakPolarHBondContact O-CG 3.27Å; A511-L515 PolarHBondContact O-N 2.87Å; V512-L515 PolarHBondContact O-N 3.24Å; H513-L515 VanDerWaalsContact C-N 3.29Å; H513-L515 PolarHBondContact O-N 2.92Å; L515-H517 VanDerWaalsContact C-N 3.34Å; L515-K518 HydrophobicContact CD2-CD 4.39Å; L515-K518 WeakPolarHBondContact O-CB 3.15Å; L515-K518 PolarHBondContact O-N 2.69Å; L515-K518 VanDerWaalsContact O-N 3.08Å; L515-L519 PolarHBondContact O-N 2.93Å; L515-L601 HydrophobicContact CD2-CD2 4.2Å
516V92.5Very high90.3Very high0 Ų045.3 Ų45.30%022%0.215CC..Hα-helixtrans-62.8-40.7173168.40000111.5F496 V512 H513 K518 L519 R524 L527 L583 I590 F591F496-V516 HydrophobicContact CE1-CG2 4.17Å; F496-V516 HydrophobicContact CZ-CG2 4.31Å; V512-V516 HydrophobicContact CG1-CG2 4.44Å; V512-V516 WeakPolarHBondContact O-CG2 3.24Å; V512-V516 PolarHBondContact O-N 2.94Å; H513-V516 PolarHBondContact O-N 3.02Å; V516-K518 PolarHBondContact O-N 2.92Å; V516-L519 WeakPolarHBondContact O-CB 3.34Å; V516-L519 PolarHBondContact O-N 2.74Å; V516-L519 VanDerWaalsContact O-N 3.15Å; V516-R524 HydrophobicContact CG1-CG 4.24Å; V516-L527 HydrophobicContact CG2-CD2 4.34Å; V516-L583 HydrophobicContact CG2-CD2 3.64Å; V516-I590 HydrophobicContact CB-CG2 3.96Å; V516-I590 HydrophobicContact CG1-CG2 3.92Å; V516-I590 HydrophobicContact CG2-CG2 3.91Å; V516-F591 HydrophobicContact CG1-CD1 4.27Å; V516-F591 HydrophobicContact CG1-CE1 3.7Å; V516-F591 HydrophobicContact CG1-CZ 4.05Å
517H89.9Confident90.8Very high57 Ų5739.5 Ų39.526%0.26418%0.184SC..THydrogen-bonded Turntrans-72.8-0.8175.3-74.3-112.4000113.8H513 L515 I590 Q593 P595H513-H517 AromaticContact CD2-CD2 3.62Å; H513-H517 AromaticContact CD2-NE2 3.66Å; H513-H517 AromaticContact NE2-NE2 3.63Å; H513-H517 PolarHBondContact O-CD2 3.27Å; H513-H517 PolarHBondContact O-N 2.9Å; L515-H517 VanDerWaalsContact C-N 3.34Å; H517-I590 PolarHBondContact NE2-O 2.94Å; H517-Q593 PolarHBondContact NE2-O 3.16Å; H517-P595 HydrophobicContact CB-CG 4.04Å
518K90.5Very high91.1Very high108 Ų10839.5 Ų39.547%0.4719%0.186SC..THydrogen-bonded Turntrans-102.3-5.1170.3-74.5177.2168-166.70114.1L492 A514 L515 V516 L601L492-K518 HydrophobicContact CD1-CB 3.97Å; A514-K518 WeakPolarHBondContact O-CG 3.49Å; L515-K518 HydrophobicContact CD2-CD 4.39Å; L515-K518 WeakPolarHBondContact O-CB 3.15Å; L515-K518 PolarHBondContact O-N 2.69Å; L515-K518 VanDerWaalsContact O-N 3.08Å; V516-K518 PolarHBondContact O-N 2.92Å; K518-L601 HydrophobicContact CD-CD2 4.39Å; K518-L601 VanDerWaalsContact NZ-CD2 3.27Å
519L90.4Very high91.2Very high13 Ų1340.4 Ų40.47%0.06819%0.192CC..SBendtrans-65.4150.9172.9-70.9167.4000110.1M488 T489 L492 F496 L515 V516 N523 R524 L527M488-L519 WeakPolarHBondContact O-CD2 3.23Å; M488-L519 HydrophobicContact SD-CD1 4.2Å; T489-L519 HydrophobicContact CG2-CD2 3.92Å; L492-L519 HydrophobicContact CD1-CD2 4.01Å; L492-L519 HydrophobicContact CD1-CG 4.35Å; F496-L519 HydrophobicContact CE2-CD2 4.29Å; F496-L519 HydrophobicContact CZ-CD1 4.43Å; F496-L519 HydrophobicContact CZ-CG 4.47Å; L515-L519 PolarHBondContact O-N 2.93Å; V516-L519 WeakPolarHBondContact O-CB 3.34Å; V516-L519 PolarHBondContact O-N 2.74Å; V516-L519 VanDerWaalsContact O-N 3.15Å; L519-N523 HydrophobicContact CB-CB 4.37Å; L519-R524 HydrophobicContact CB-CB 4.29Å; L519-L527 HydrophobicContact CD1-CD2 3.66Å
520P90.7Very high91.5Very high63 Ų6340 Ų4041%0.40919%0.19SC..  trans-53.2143.8166.5-22.732.5000110.7T489 R522 N523 R524T489-P520 HydrophobicContact CG2-CG 4.11Å; P520-R522 PolarHBondContact O-N 3.12Å; P520-N523 HydrophobicContact CB-CB 4.27Å; P520-N523 HydrophobicContact CG-CB 4.48Å; P520-N523 WeakPolarHBondContact O-CA 3.37Å; P520-N523 VanDerWaalsContact O-CB 3.3Å; P520-N523 WeakPolarHBondContact O-CB 3.22Å; P520-N523 PolarHBondContact O-N 2.93Å; P520-R524 PolarHBondContact O-N 3.47Å
521E87.5Confident91.9Very high153 Ų15338.4 Ų38.472%0.71518%0.179SC*.Hα-helixtrans-56.7-47.7-168.5-162.4153.6-136.400112.7N523 R524 E525E521-N523 VanDerWaalsContact C-N 3.29Å; E521-N523 PolarHBondContact O-N 3.47Å; E521-R524 WeakPolarHBondContact O-CB 3.38Å; E521-R524 PolarHBondContact O-N 3.3Å; E521-R524 VanDerWaalsContact O-N 3.08Å; E521-E525 WeakPolarHBondContact O-CG 3.47Å; E521-E525 PolarHBondContact O-N 3.19Å
522R88.2Confident92.2Very high129 Ų12944 Ų4449%0.48720%0.203SC..Hα-helixtrans-61.5-31.3173.8-59-52.4-169.1110.4-3.5114E411 F414 P520 E525 M526E411-R522 IonicContact OE2-NH1 3.58Å; E411-R522 PolarHBondContact OE2-NH1 2.96Å; F414-R522 HydrophobicContact CE2-CB 4.28Å; F414-R522 HydrophobicContact CZ-CB 4.25Å; F414-R522 VanDerWaalsContact CZ-O 3.31Å; F414-R522 WeakPolarHBondContact CZ-O 3.44Å; P520-R522 PolarHBondContact O-N 3.12Å; R522-E525 WeakPolarHBondContact CD-OE2 3.46Å; R522-E525 IonicContact NE-OE2 2.86Å; R522-M526 PolarHBondContact O-N 2.91Å
523N91.1Very high92.4Very high17 Ų1744 Ų449%0.09120%0.204CC..Hα-helixtrans-71.1-40.6174.3-71.556.8000110.8L487 L519 P520 E521 L527L487-N523 HydrophobicContact CD1-CB 4.21Å; L487-N523 WeakPolarHBondContact O-CB 3.37Å; L487-N523 PolarHBondContact O-ND2 3.49Å; L519-N523 HydrophobicContact CB-CB 4.37Å; P520-N523 HydrophobicContact CB-CB 4.27Å; P520-N523 HydrophobicContact CG-CB 4.48Å; P520-N523 WeakPolarHBondContact O-CA 3.37Å; P520-N523 VanDerWaalsContact O-CB 3.3Å; P520-N523 WeakPolarHBondContact O-CB 3.22Å; P520-N523 PolarHBondContact O-N 2.93Å; E521-N523 VanDerWaalsContact C-N 3.29Å; E521-N523 PolarHBondContact O-N 3.47Å; N523-L527 VanDerWaalsContact O-CB 3.25Å; N523-L527 WeakPolarHBondContact O-CB 3.39Å; N523-L527 PolarHBondContact O-N 3.41Å
524R92.6Very high92.5Very high67 Ų6743.7 Ų43.725%0.25320%0.202SC..Hα-helixtrans-65.3-45.9176.2-178.3-177.9159.5-153.8-9.3111.4V516 L519 P520 E521 M526 L527 E528 F591V516-R524 HydrophobicContact CG1-CG 4.24Å; L519-R524 HydrophobicContact CB-CB 4.29Å; P520-R524 PolarHBondContact O-N 3.47Å; E521-R524 WeakPolarHBondContact O-CB 3.38Å; E521-R524 PolarHBondContact O-N 3.3Å; E521-R524 VanDerWaalsContact O-N 3.08Å; R524-M526 PolarHBondContact O-N 3.43Å; R524-L527 PolarHBondContact O-N 3.06Å; R524-E528 IonicContact NH2-OE2 2.74Å; R524-E528 WeakPolarHBondContact O-CB 3.49Å; R524-E528 PolarHBondContact O-N 2.97Å; R524-F591 HydrophobicContact CG-CE1 4.45Å; R524-F591 PolarHBondContact NH2-O 2.77Å; R524-F591 VanDerWaalsContact NH2-O 3.14Å
525E92Very high92.8Very high83 Ų8345.2 Ų45.239%0.38821%0.21SC..Hα-helixtrans-56.8-49.3177.6-70.6167.1175.600112.3F414 E521 R522 L527 E528 L529F414-E525 HydrophobicContact CE1-CB 3.81Å; F414-E525 HydrophobicContact CZ-CB 3.98Å; F414-E525 WeakPolarHBondContact CZ-OE2 3.22Å; E521-E525 WeakPolarHBondContact O-CG 3.47Å; E521-E525 PolarHBondContact O-N 3.19Å; R522-E525 WeakPolarHBondContact CD-OE2 3.46Å; R522-E525 IonicContact NE-OE2 2.86Å; E525-L527 VanDerWaalsContact C-N 3.33Å; E525-L527 PolarHBondContact O-N 2.93Å; E525-E528 PolarHBondContact O-N 3.24Å; E525-L529 WeakPolarHBondContact O-CB 3.34Å; E525-L529 PolarHBondContact O-N 3.13Å; E525-L529 VanDerWaalsContact O-N 3.09Å
526M93.3Very high92.9Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-70.1-30178.7179.6170.6-73.200112.3L409 F414 V417 Y479 L480 L487 R522 R524 L530L409-M526 HydrophobicContact CD2-CB 3.96Å; L409-M526 HydrophobicContact CD2-CE 4.08Å; L409-M526 HydrophobicContact CD2-CG 4.38Å; L409-M526 HydrophobicContact CD2-SD 3.65Å; L409-M526 HydrophobicContact CG-SD 4.44Å; F414-M526 HydrophobicContact CB-CE 4.37Å; F414-M526 HydrophobicContact CD1-CE 4.13Å; F414-M526 HydrophobicContact CD2-CE 3.76Å; F414-M526 HydrophobicContact CE1-CB 3.87Å; F414-M526 HydrophobicContact CE1-CE 4.43Å; F414-M526 HydrophobicContact CE2-CE 4.08Å; F414-M526 HydrophobicContact CG-CE 3.81Å; F414-M526 HydrophobicContact CZ-CB 3.9Å; F414-M526 HydrophobicContact CZ-CE 4.42Å; V417-M526 HydrophobicContact CB-CE 4.45Å; V417-M526 HydrophobicContact CG2-CE 4.08Å; V417-M526 HydrophobicContact CG2-SD 4.28Å; Y479-M526 HydrophobicContact CE1-CE 4.06Å; Y479-M526 HydrophobicContact CE1-SD 3.97Å; L480-M526 HydrophobicContact CD2-CG 4.49Å; L480-M526 HydrophobicContact CD2-SD 3.85Å; L487-M526 HydrophobicContact CD1-CB 4.07Å; L487-M526 HydrophobicContact CD1-CG 4.17Å; L487-M526 HydrophobicContact CD1-SD 4.34Å; L487-M526 HydrophobicContact CD2-CG 4.25Å; R522-M526 PolarHBondContact O-N 2.91Å; R524-M526 PolarHBondContact O-N 3.43Å; M526-L530 WeakPolarHBondContact O-CB 3.44Å; M526-L530 PolarHBondContact O-N 2.68Å; M526-L530 VanDerWaalsContact O-N 3.16Å
527L94.4Very high93Very high0 Ų048 Ų480%022%0.224CC..Hα-helixtrans-68.3-44.3172.5-175.470000111.2L487 M488 V516 L519 N523 R524 E525 L530 I531 L559 L583 F591L487-L527 HydrophobicContact CD2-CB 3.94Å; L487-L527 HydrophobicContact CD2-CD1 3.94Å; L487-L527 HydrophobicContact CG-CB 4.32Å; M488-L527 HydrophobicContact SD-CD1 4.1Å; M488-L527 HydrophobicContact SD-CD2 3.6Å; V516-L527 HydrophobicContact CG2-CD2 4.34Å; L519-L527 HydrophobicContact CD1-CD2 3.66Å; N523-L527 VanDerWaalsContact O-CB 3.25Å; N523-L527 WeakPolarHBondContact O-CB 3.39Å; N523-L527 PolarHBondContact O-N 3.41Å; R524-L527 PolarHBondContact O-N 3.06Å; E525-L527 VanDerWaalsContact C-N 3.33Å; E525-L527 PolarHBondContact O-N 2.93Å; L527-L530 PolarHBondContact O-N 2.99Å; L527-I531 HydrophobicContact CD1-CD1 4.26Å; L527-I531 HydrophobicContact CD1-CG1 3.96Å; L527-I531 HydrophobicContact CG-CG1 4.09Å; L527-I531 VanDerWaalsContact O-CG1 3.3Å; L527-I531 WeakPolarHBondContact O-CG1 3.46Å; L527-I531 PolarHBondContact O-N 2.81Å; L527-L559 HydrophobicContact CD1-CD1 4.1Å; L527-L583 HydrophobicContact CD1-CD1 4.46Å; L527-L583 HydrophobicContact CD2-CD1 4.46Å; L527-F591 HydrophobicContact CD2-CE1 4.35Å; L527-F591 HydrophobicContact CD2-CZ 4Å; L527-F591 HydrophobicContact CG-CE1 4.38Å; L527-F591 HydrophobicContact CG-CZ 4Å
528E94.6Very high93.2Very high56 Ų5646 Ų4626%0.26222%0.216SC..Hα-helixtrans-58.8-49178.4-172169.5138.100111.4R524 E525 L530 I531 K532 F587 F591R524-E528 IonicContact NH2-OE2 2.74Å; R524-E528 WeakPolarHBondContact O-CB 3.49Å; R524-E528 PolarHBondContact O-N 2.97Å; E525-E528 PolarHBondContact O-N 3.24Å; E528-L530 VanDerWaalsContact C-N 3.34Å; E528-L530 PolarHBondContact O-N 3.3Å; E528-I531 PolarHBondContact O-N 3.44Å; E528-K532 VanDerWaalsContact O-CB 3.26Å; E528-K532 WeakPolarHBondContact O-CB 3.36Å; E528-K532 PolarHBondContact O-N 2.86Å; E528-F587 HydrophobicContact CG-CE2 4.07Å; E528-F587 HydrophobicContact CG-CZ 4.3Å; E528-F591 HydrophobicContact CB-CD1 3.47Å; E528-F591 VanDerWaalsContact CB-CD1 3.47Å; E528-F591 HydrophobicContact CB-CE1 3.68Å; E528-F591 HydrophobicContact CB-CG 4.19Å; E528-F591 HydrophobicContact CG-CB 3.88Å; E528-F591 HydrophobicContact CG-CD1 3.49Å; E528-F591 VanDerWaalsContact CG-CD1 3.49Å; E528-F591 HydrophobicContact CG-CE1 4.19Å; E528-F591 HydrophobicContact CG-CG 3.75Å; E528-F591 WeakPolarHBondContact OE2-CD1 3.38Å
529L94.8Very high93.3Very high38 Ų3844.1 Ų44.120%0.19922%0.221CC..Hα-helixtrans-53.5-49.9173.8-170.3176.3000111.2V417 R418 V421 E525 H533V417-L529 HydrophobicContact CG1-CD1 4.43Å; V417-L529 HydrophobicContact CG1-CD2 3.82Å; R418-L529 HydrophobicContact CG-CD1 3.78Å; V421-L529 HydrophobicContact CB-CD2 4.42Å; V421-L529 HydrophobicContact CG2-CD2 3.86Å; E525-L529 WeakPolarHBondContact O-CB 3.34Å; E525-L529 PolarHBondContact O-N 3.13Å; E525-L529 VanDerWaalsContact O-N 3.09Å; L529-H533 PolarHBondContact O-N 3.5Å
530L95.8Very high93.3Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-68-47-178.1179.964.1000112.8L476 L480 M526 L527 E528 K532 H533 L534 F555 L559L476-L530 HydrophobicContact CD2-CD1 3.96Å; L480-L530 HydrophobicContact CD1-CD1 4.45Å; L480-L530 HydrophobicContact CD1-CD2 3.63Å; M526-L530 WeakPolarHBondContact O-CB 3.44Å; M526-L530 PolarHBondContact O-N 2.68Å; M526-L530 VanDerWaalsContact O-N 3.16Å; L527-L530 PolarHBondContact O-N 2.99Å; E528-L530 VanDerWaalsContact C-N 3.34Å; E528-L530 PolarHBondContact O-N 3.3Å; L530-K532 VanDerWaalsContact C-N 3.3Å; L530-K532 PolarHBondContact O-N 3.36Å; L530-H533 WeakPolarHBondContact O-CB 3.31Å; L530-H533 PolarHBondContact O-N 3.35Å; L530-H533 VanDerWaalsContact O-N 3.16Å; L530-L534 WeakPolarHBondContact O-CG 3.45Å; L530-L534 PolarHBondContact O-N 3.16Å; L530-F555 HydrophobicContact CD1-CE1 3.99Å; L530-F555 HydrophobicContact CD1-CZ 4.46Å; L530-F555 HydrophobicContact CD2-CD1 4.09Å; L530-F555 HydrophobicContact CD2-CE1 4.15Å; L530-L559 HydrophobicContact CD2-CD1 3.86Å; L530-L559 HydrophobicContact CD2-CD2 3.62Å; L530-L559 HydrophobicContact CD2-CG 4.28Å
531I96.5Very high93.2Very high0 Ų047.4 Ų47.40%023%0.233CC..Hα-helixtrans-65.8-37.4-178.5-61.6-60000110.2L527 E528 H533 L534 V535 L583 I584 F587 F591L527-I531 HydrophobicContact CD1-CD1 4.26Å; L527-I531 HydrophobicContact CD1-CG1 3.96Å; L527-I531 HydrophobicContact CG-CG1 4.09Å; L527-I531 VanDerWaalsContact O-CG1 3.3Å; L527-I531 WeakPolarHBondContact O-CG1 3.46Å; L527-I531 PolarHBondContact O-N 2.81Å; E528-I531 PolarHBondContact O-N 3.44Å; I531-H533 VanDerWaalsContact C-N 3.31Å; I531-H533 PolarHBondContact O-N 2.94Å; I531-L534 HydrophobicContact CD1-CD1 4.29Å; I531-L534 PolarHBondContact O-N 3.2Å; I531-L534 VanDerWaalsContact O-N 3.09Å; I531-V535 WeakPolarHBondContact O-CG2 3.47Å; I531-V535 PolarHBondContact O-N 3.11Å; I531-L583 HydrophobicContact CD1-CB 3.9Å; I531-L583 HydrophobicContact CD1-CD1 4.11Å; I531-L583 HydrophobicContact CG1-CB 4.13Å; I531-L583 HydrophobicContact CG1-CD1 4.42Å; I531-L583 HydrophobicContact CG2-CB 4.11Å; I531-L583 VanDerWaalsContact CG2-O 3.27Å; I531-L583 WeakPolarHBondContact CG2-O 3.49Å; I531-I584 HydrophobicContact CD1-CG1 4.49Å; I531-I584 HydrophobicContact CG2-CG1 4.18Å; I531-F587 HydrophobicContact CB-CD2 4.15Å; I531-F587 HydrophobicContact CG2-CB 4.38Å; I531-F587 HydrophobicContact CG2-CD2 3.7Å; I531-F587 HydrophobicContact CG2-CG 4.44Å; I531-F591 HydrophobicContact CB-CE2 4.2Å; I531-F591 HydrophobicContact CB-CZ 4.49Å; I531-F591 HydrophobicContact CG1-CE2 4.38Å; I531-F591 HydrophobicContact CG1-CZ 4.32Å; I531-F591 HydrophobicContact CG2-CE2 4.19Å
532K95.8Very high93.1Very high119 Ų11948.9 Ų48.952%0.51724%0.239SC..Hα-helixtrans-54.3-46.1171-174.5-176.3175.9-173.60111.9E528 L530 V535 I536 F587E528-K532 VanDerWaalsContact O-CB 3.26Å; E528-K532 WeakPolarHBondContact O-CB 3.36Å; E528-K532 PolarHBondContact O-N 2.86Å; L530-K532 VanDerWaalsContact C-N 3.3Å; L530-K532 PolarHBondContact O-N 3.36Å; K532-V535 WeakPolarHBondContact O-CB 3.29Å; K532-V535 PolarHBondContact O-N 3.37Å; K532-I536 HydrophobicContact CG-CD1 4.5Å; K532-I536 WeakPolarHBondContact O-CG1 3.27Å; K532-I536 PolarHBondContact O-N 2.68Å; K532-F587 HydrophobicContact CB-CE1 4.3Å; K532-F587 HydrophobicContact CB-CE2 3.84Å; K532-F587 HydrophobicContact CB-CZ 3.63Å; K532-F587 HydrophobicContact CD-CZ 4.46Å; K532-F587 HydrophobicContact CG-CE1 4.28Å; K532-F587 HydrophobicContact CG-CZ 4Å
533H95.7Very high93Very high1 Ų144.6 Ų44.61%0.00523%0.229CC..Hα-helixtrans-61.3-44.3174.6178.161000112.3V421 E425 Y435 L529 L530 I531 V535 I536 V537V421-H533 HydrophobicContact CG1-CB 3.97Å; V421-H533 HydrophobicContact CG2-CB 3.91Å; E425-H533 VanDerWaalsContact CG-ND1 3.34Å; E425-H533 WeakPolarHBondContact CG-ND1 3.36Å; E425-H533 IonicContact OE1-CE1 3.89Å; E425-H533 IonicContact OE1-CG 2.68Å; E425-H533 IonicContact OE1-ND1 2.6Å; E425-H533 PolarHBondContact OE1-ND1 2.96Å; Y435-H533 AromaticContact CE2-CD2 3.94Å; Y435-H533 AromaticContact CE2-NE2 3.4Å; Y435-H533 WeakPolarHBondContact CE2-NE2 3.43Å; Y435-H533 AromaticContact CZ-CD2 3.94Å; Y435-H533 AromaticContact CZ-NE2 3.52Å; Y435-H533 PolarHBondContact OH-CD2 3.13Å; Y435-H533 VanDerWaalsContact OH-CD2 3.25Å; Y435-H533 PolarHBondContact OH-NE2 2.98Å; L529-H533 PolarHBondContact O-N 3.5Å; L530-H533 WeakPolarHBondContact O-CB 3.31Å; L530-H533 PolarHBondContact O-N 3.35Å; L530-H533 VanDerWaalsContact O-N 3.16Å; I531-H533 VanDerWaalsContact C-N 3.31Å; I531-H533 PolarHBondContact O-N 2.94Å; H533-V535 VanDerWaalsContact C-N 3.31Å; H533-V535 PolarHBondContact O-N 3.4Å; H533-I536 PolarHBondContact O-N 2.87Å; H533-I536 VanDerWaalsContact O-N 3.13Å; H533-V537 WeakPolarHBondContact O-CG2 3.35Å; H533-V537 PolarHBondContact O-N 3.3Å
534L95.8Very high92.9Very high0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-65.5-31.8179.3-61.7-173.1000112.9Y435 L530 I531 V537 S538 L551 F555 V580 I584Y435-L534 HydrophobicContact CE2-CD2 4.5Å; L530-L534 WeakPolarHBondContact O-CG 3.45Å; L530-L534 PolarHBondContact O-N 3.16Å; I531-L534 HydrophobicContact CD1-CD1 4.29Å; I531-L534 PolarHBondContact O-N 3.2Å; I531-L534 VanDerWaalsContact O-N 3.09Å; L534-V537 PolarHBondContact O-N 3.47Å; L534-S538 WeakPolarHBondContact O-CB 3.25Å; L534-S538 PolarHBondContact O-N 3.41Å; L534-S538 PolarHBondContact O-OG 3.42Å; L534-L551 HydrophobicContact CB-CD1 4.28Å; L534-L551 HydrophobicContact CD2-CD2 4.35Å; L534-L551 WeakPolarHBondContact O-CD1 3.27Å; L534-F555 HydrophobicContact CD1-CB 4.13Å; L534-F555 HydrophobicContact CD1-CD1 4.25Å; L534-F555 HydrophobicContact CD1-CD2 3.7Å; L534-F555 HydrophobicContact CD1-CE2 4.14Å; L534-F555 HydrophobicContact CD1-CG 3.75Å; L534-F555 HydrophobicContact CD2-CD2 3.9Å; L534-F555 HydrophobicContact CD2-CE2 3.5Å; L534-F555 HydrophobicContact CD2-CZ 3.9Å; L534-F555 HydrophobicContact CG-CD2 4.48Å; L534-F555 HydrophobicContact CG-CE2 4.47Å; L534-V580 HydrophobicContact CD1-CG1 4.47Å; L534-I584 HydrophobicContact CB-CD1 3.79Å; L534-I584 HydrophobicContact CB-CG1 3.92Å; L534-I584 HydrophobicContact CD1-CD1 4.02Å
535V95.8Very high92.6Very high46 Ų4645.5 Ų45.528%0.27924%0.239SC..Hα-helixtrans-59.6-49.7169.4172.40000110.4I531 K532 H533 V537 S538 A539 I584 F587I531-V535 WeakPolarHBondContact O-CG2 3.47Å; I531-V535 PolarHBondContact O-N 3.11Å; K532-V535 WeakPolarHBondContact O-CB 3.29Å; K532-V535 PolarHBondContact O-N 3.37Å; H533-V535 VanDerWaalsContact C-N 3.31Å; H533-V535 PolarHBondContact O-N 3.4Å; V535-V537 VanDerWaalsContact C-N 3.35Å; V535-V537 PolarHBondContact O-N 3.29Å; V535-S538 PolarHBondContact O-N 3.26Å; V535-S538 VanDerWaalsContact O-N 3.15Å; V535-S538 PolarHBondContact O-OG 3.48Å; V535-A539 PolarHBondContact O-N 3.49Å; V535-I584 HydrophobicContact CG2-CG2 3.9Å; V535-I584 WeakPolarHBondContact CG2-O 3.44Å; V535-F587 HydrophobicContact CG2-CB 3.78Å; V535-F587 HydrophobicContact CG2-CG 4.12Å
536I94Very high92.5Very high58 Ų5841.6 Ų41.630%0.29722%0.221SC..Hα-helixtrans-62.1-40.9179.9-64.6165.5000111.3E425 I429 K532 H533E425-I536 HydrophobicContact CG-CG2 4.31Å; E425-I536 WeakPolarHBondContact OE1-CD1 3.45Å; I429-I536 HydrophobicContact CD1-CG2 4.1Å; K532-I536 HydrophobicContact CG-CD1 4.5Å; K532-I536 WeakPolarHBondContact O-CG1 3.27Å; K532-I536 PolarHBondContact O-N 2.68Å; H533-I536 PolarHBondContact O-N 2.87Å; H533-I536 VanDerWaalsContact O-N 3.13Å
537V93.5Very high92.3Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-61.3-47.2172.4175.10000111.6I429 L434 Y435 H533 L534 V535 A539 Q540 N544 M546 L551I429-V537 HydrophobicContact CD1-CB 4.33Å; I429-V537 HydrophobicContact CD1-CG2 3.82Å; L434-V537 HydrophobicContact CD2-CG1 3.9Å; L434-V537 HydrophobicContact CD2-CG2 3.85Å; Y435-V537 HydrophobicContact CE2-CG2 4.34Å; H533-V537 WeakPolarHBondContact O-CG2 3.35Å; H533-V537 PolarHBondContact O-N 3.3Å; L534-V537 PolarHBondContact O-N 3.47Å; V535-V537 VanDerWaalsContact C-N 3.35Å; V535-V537 PolarHBondContact O-N 3.29Å; V537-A539 VanDerWaalsContact C-N 3.33Å; V537-A539 PolarHBondContact O-N 3.08Å; V537-Q540 PolarHBondContact O-N 2.88Å; V537-Q540 VanDerWaalsContact O-N 3.16Å; V537-N544 PolarHBondContact O-ND2 3.26Å; V537-M546 HydrophobicContact CG1-CB 4.07Å; V537-L551 HydrophobicContact CB-CD1 4.2Å; V537-L551 HydrophobicContact CG1-CD1 3.98Å; V537-L551 HydrophobicContact CG1-CD2 4.03Å
538S94.3Very high92.1Very high15 Ų1546.1 Ų46.111%0.10525%0.248CC..Hα-helixtrans-67.9-29.5-177.5750000113.6L534 V535 Q540 N541L534-S538 WeakPolarHBondContact O-CB 3.25Å; L534-S538 PolarHBondContact O-N 3.41Å; L534-S538 PolarHBondContact O-OG 3.42Å; V535-S538 PolarHBondContact O-N 3.26Å; V535-S538 VanDerWaalsContact O-N 3.15Å; V535-S538 PolarHBondContact O-OG 3.48Å; S538-Q540 PolarHBondContact O-N 3.03Å; S538-N541 VanDerWaalsContact O-CB 3.32Å; S538-N541 WeakPolarHBondContact O-CB 3.49Å; S538-N541 PolarHBondContact O-N 3.36Å; S538-N541 PolarHBondContact O-ND2 3.18Å
539A93.3Very high91.7Very high69 Ų6944.9 Ų44.957%0.5725%0.246SC*.Hα-helixtrans-63.9-26.517400000112.4V535 V537V535-A539 PolarHBondContact O-N 3.49Å; V537-A539 VanDerWaalsContact C-N 3.33Å; V537-A539 PolarHBondContact O-N 3.08Å
540Q90.9Very high91.5Very high82 Ų8245.1 Ų45.138%0.38325%0.247SC..THydrogen-bonded Turntrans-95.517-180-64.8-63.5-26.900113.6I429 V537 S538 Q542 S543 N544I429-Q540 HydrophobicContact CG1-CB 4.18Å; I429-Q540 HydrophobicContact CG1-CG 3.85Å; V537-Q540 PolarHBondContact O-N 2.88Å; V537-Q540 VanDerWaalsContact O-N 3.16Å; S538-Q540 PolarHBondContact O-N 3.03Å; Q540-Q542 PolarHBondContact O-N 3.46Å; Q540-S543 PolarHBondContact O-N 3.44Å; Q540-S543 PolarHBondContact O-OG 3.02Å; Q540-N544 PolarHBondContact O-N 2.98Å; Q540-N544 PolarHBondContact O-OD1 2.9Å
541N88.4Confident91.2Very high63 Ų6345.1 Ų45.134%0.33725%0.247SC..Hα-helixtrans-53.4-30.1-174.567.677.5000114.9S538 S543 N544 L545S538-N541 VanDerWaalsContact O-CB 3.32Å; S538-N541 WeakPolarHBondContact O-CB 3.49Å; S538-N541 PolarHBondContact O-N 3.36Å; S538-N541 PolarHBondContact O-ND2 3.18Å; N541-S543 PolarHBondContact O-N 3.24Å; N541-N544 WeakPolarHBondContact CA-OD1 3.5Å; N541-L545 WeakPolarHBondContact O-CA 3.47Å; N541-L545 PolarHBondContact O-N 2.89Å
542Q85.8Confident90.8Very high183 Ų18345.1 Ų45.186%0.85525%0.247SC*.Hα-helixtrans-63.1-24.6176.7-64.9-179.1-5.100113.2Q540Q540-Q542 PolarHBondContact O-N 3.46Å
543S84.6Confident90.2Very high39 Ų3941 Ų4127%0.27323%0.232SC..Hα-helixtrans-103-38.9179.367.20000113.3H430 Q540 N541H430-S543 PolarHBondContact ND1-OG 3.28Å; Q540-S543 PolarHBondContact O-N 3.44Å; Q540-S543 PolarHBondContact O-OG 3.02Å; N541-S543 PolarHBondContact O-N 3.24Å
544N89.1Confident89.9Confident0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans-101.5-7.1-173.967.430.5000114.3I429 T431 M432 G433 V537 Q540 N541 M546I429-N544 WeakPolarHBondContact O-CB 3.42Å; I429-N544 PolarHBondContact O-ND2 3.23Å; T431-N544 WeakPolarHBondContact O-CB 3.43Å; M432-N544 WeakPolarHBondContact CA-O 3.45Å; G433-N544 PolarHBondContact N-O 2.89Å; V537-N544 PolarHBondContact O-ND2 3.26Å; Q540-N544 PolarHBondContact O-N 2.98Å; Q540-N544 PolarHBondContact O-OD1 2.9Å; N541-N544 WeakPolarHBondContact CA-OD1 3.5Å; N544-M546 PolarHBondContact O-N 3.35Å; N544-M546 WeakPolarHBondContact OD1-CB 3.2Å; N544-M546 PolarHBondContact OD1-N 2.97Å
545L86.3Confident89.7Confident104 Ų10442.3 Ų42.355%0.54524%0.239SC..  trans6120.3-179.4-50.9178.1000114.8M432 N541 N550M432-L545 HydrophobicContact SD-CD1 4.41Å; N541-L545 WeakPolarHBondContact O-CA 3.47Å; N541-L545 PolarHBondContact O-N 2.89Å; L545-N550 PolarHBondContact O-ND2 3.36Å
546M89.4Confident89.4Confident1 Ų140.1 Ų40.11%0.00523%0.225CC..  trans-102.287.1178.9-61.1-51.9-60.700111.3L434 R436 V537 N544 N550 L551 I554L434-M546 HydrophobicContact CB-CG 4.2Å; L434-M546 WeakPolarHBondContact O-CE 3.29Å; L434-M546 WeakPolarHBondContact O-CG 3.32Å; L434-M546 VanDerWaalsContact O-SD 3.38Å; R436-M546 HydrophobicContact CB-CE 4.27Å; R436-M546 HydrophobicContact CB-SD 4.13Å; V537-M546 HydrophobicContact CG1-CB 4.07Å; N544-M546 PolarHBondContact O-N 3.35Å; N544-M546 WeakPolarHBondContact OD1-CB 3.2Å; N544-M546 PolarHBondContact OD1-N 2.97Å; M546-N550 HydrophobicContact CE-CB 3.69Å; M546-N550 HydrophobicContact SD-CB 4.37Å; M546-L551 HydrophobicContact CB-CD2 4.04Å; M546-L551 HydrophobicContact CB-CG 4.21Å; M546-L551 HydrophobicContact CE-CD2 3.71Å; M546-L551 HydrophobicContact CE-CG 4.27Å; M546-L551 HydrophobicContact CG-CD2 4.47Å; M546-I554 HydrophobicContact CE-CD1 3.42Å; M546-I554 VanDerWaalsContact CE-CD1 3.42Å
547T89.9Confident88.8Confident62 Ų6239 Ų3938%0.3822%0.221SC..  trans-64.5164.7166.962.70000111.5S549 N550 L551T547-S549 VanDerWaalsContact C-N 3.29Å; T547-S549 PolarHBondContact O-N 3.42Å; T547-N550 WeakPolarHBondContact O-CB 3.39Å; T547-N550 PolarHBondContact O-N 2.92Å; T547-N550 VanDerWaalsContact O-N 3.12Å; T547-N550 WeakPolarHBondContact OG1-CB 3.46Å; T547-N550 VanDerWaalsContact OG1-CG 3.24Å; T547-N550 PolarHBondContact OG1-N 3.13Å; T547-N550 PolarHBondContact OG1-ND2 3.28Å; T547-L551 PolarHBondContact O-N 3.49Å
548V90.9Very high88.5Confident32 Ų3239 Ų3919%0.19422%0.221CC..Hα-helixtrans-54.6-44.7176.6179.80000111.6L551 G552 E581 I584 E585V548-L551 WeakPolarHBondContact O-CB 3.45Å; V548-L551 PolarHBondContact O-N 3.15Å; V548-G552 PolarHBondContact O-N 3.47Å; V548-E581 HydrophobicContact CG1-CB 4.15Å; V548-E581 HydrophobicContact CG1-CG 4.19Å; V548-I584 HydrophobicContact CB-CG2 4.42Å; V548-I584 HydrophobicContact CG1-CB 3.81Å; V548-I584 HydrophobicContact CG1-CD1 4.15Å; V548-I584 HydrophobicContact CG1-CG2 3.79Å; V548-I584 HydrophobicContact CG2-CG2 3.91Å; V548-E585 HydrophobicContact CG1-CG 4.13Å
549S85.9Confident88.2Confident31 Ų3138.3 Ų38.322%0.21722%0.217CC..Hα-helixtrans-68.4-36.9176.7-1720000113.5T547 L551 G552 V553 E581T547-S549 VanDerWaalsContact C-N 3.29Å; T547-S549 PolarHBondContact O-N 3.42Å; S549-L551 PolarHBondContact O-N 3.24Å; S549-G552 PolarHBondContact O-N 2.92Å; S549-G552 VanDerWaalsContact O-N 3.1Å; S549-V553 WeakPolarHBondContact O-CG2 3.35Å; S549-V553 PolarHBondContact O-N 3.19Å; S549-E581 VanDerWaalsContact CA-OE1 3.22Å; S549-E581 WeakPolarHBondContact CA-OE1 2.9Å; S549-E581 WeakPolarHBondContact CB-OE1 3.14Å; S549-E581 PolarHBondContact OG-OE1 3.25Å
550N89.2Confident87.9Confident43 Ų4335 Ų3523%0.2319%0.19CC..Hα-helixtrans-59.5-32.6172.1-75.4-11.4000112L545 M546 T547 I554L545-N550 PolarHBondContact O-ND2 3.36Å; M546-N550 HydrophobicContact CE-CB 3.69Å; M546-N550 HydrophobicContact SD-CB 4.37Å; T547-N550 WeakPolarHBondContact O-CB 3.39Å; T547-N550 PolarHBondContact O-N 2.92Å; T547-N550 VanDerWaalsContact O-N 3.12Å; T547-N550 WeakPolarHBondContact OG1-CB 3.46Å; T547-N550 VanDerWaalsContact OG1-CG 3.24Å; T547-N550 PolarHBondContact OG1-N 3.13Å; T547-N550 PolarHBondContact OG1-ND2 3.28Å; N550-I554 VanDerWaalsContact O-CD1 3.24Å; N550-I554 WeakPolarHBondContact O-CD1 3.46Å; N550-I554 WeakPolarHBondContact O-CG1 3.34Å
551L90.2Very high87.3Confident0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-77.7-39.6172.7-63.7171.9000112.1L534 V537 M546 T547 V548 S549 V553 I554 F555 I584L534-L551 HydrophobicContact CB-CD1 4.28Å; L534-L551 HydrophobicContact CD2-CD2 4.35Å; L534-L551 WeakPolarHBondContact O-CD1 3.27Å; V537-L551 HydrophobicContact CB-CD1 4.2Å; V537-L551 HydrophobicContact CG1-CD1 3.98Å; V537-L551 HydrophobicContact CG1-CD2 4.03Å; M546-L551 HydrophobicContact CB-CD2 4.04Å; M546-L551 HydrophobicContact CB-CG 4.21Å; M546-L551 HydrophobicContact CE-CD2 3.71Å; M546-L551 HydrophobicContact CE-CG 4.27Å; M546-L551 HydrophobicContact CG-CD2 4.47Å; T547-L551 PolarHBondContact O-N 3.49Å; V548-L551 WeakPolarHBondContact O-CB 3.45Å; V548-L551 PolarHBondContact O-N 3.15Å; S549-L551 PolarHBondContact O-N 3.24Å; L551-V553 PolarHBondContact O-N 3.39Å; L551-I554 PolarHBondContact O-N 2.64Å; L551-F555 PolarHBondContact O-N 3.05Å; L551-I584 HydrophobicContact CB-CD1 4.07Å; L551-I584 HydrophobicContact CD1-CD1 4.49Å
552G88.1Confident86.2Confident0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-52.4-50173.700000112.6V548 S549 I554 F555 G556 N577V548-G552 PolarHBondContact O-N 3.47Å; S549-G552 PolarHBondContact O-N 2.92Å; S549-G552 VanDerWaalsContact O-N 3.1Å; G552-I554 PolarHBondContact O-N 2.68Å; G552-F555 PolarHBondContact O-N 3.27Å; G552-G556 WeakPolarHBondContact O-CA 3.44Å; G552-G556 PolarHBondContact O-N 3.36Å; G552-N577 PolarHBondContact O-OD1 3.48Å
553V84.4Confident85.2Confident33 Ų3329.3 Ų29.320%0.216%0.163CC..Hα-helixtrans-58.2-30.7176.4173.90000113.3S549 L551 P557S549-V553 WeakPolarHBondContact O-CG2 3.35Å; S549-V553 PolarHBondContact O-N 3.19Å; L551-V553 PolarHBondContact O-N 3.39Å; V553-P557 WeakPolarHBondContact O-CD 3.41Å
554I89.1Confident83.9Confident28 Ų2830.7 Ų30.714%0.14417%0.165CC..Hα-helixtrans-86.7-41.5-178.8-64.4164.8000111.7R436 K477 M546 N550 L551 G552 T558R436-I554 HydrophobicContact CB-CD1 3.88Å; K477-I554 HydrophobicContact CD-CG2 3.78Å; M546-I554 HydrophobicContact CE-CD1 3.42Å; M546-I554 VanDerWaalsContact CE-CD1 3.42Å; N550-I554 VanDerWaalsContact O-CD1 3.24Å; N550-I554 WeakPolarHBondContact O-CD1 3.46Å; N550-I554 WeakPolarHBondContact O-CG1 3.34Å; L551-I554 PolarHBondContact O-N 2.64Å; G552-I554 PolarHBondContact O-N 2.68Å; I554-T558 PolarHBondContact O-OG1 3.42Å
555F91.5Very high82.2Confident0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-93-27.5-171.6-81-83.7000113.6Y435 L476 K477 L530 L534 L551 G552 T558 L559 V580Y435-F555 AromaticContact CD1-CE2 3.9Å; Y435-F555 HydrophobicContact CD1-CE2 3.9Å; Y435-F555 AromaticContact CD1-CZ 3.58Å; Y435-F555 HydrophobicContact CD1-CZ 3.58Å; Y435-F555 HydrophobicContact CD2-CE2 4.12Å; Y435-F555 HydrophobicContact CD2-CZ 4.38Å; Y435-F555 HydrophobicContact CE1-CE2 4.44Å; Y435-F555 AromaticContact CE1-CZ 3.79Å; Y435-F555 HydrophobicContact CE1-CZ 3.79Å; Y435-F555 AromaticContact CG-CE2 3.74Å; Y435-F555 HydrophobicContact CG-CE2 3.74Å; Y435-F555 AromaticContact CG-CZ 3.91Å; Y435-F555 HydrophobicContact CG-CZ 3.91Å; L476-F555 HydrophobicContact CD2-CE1 3.98Å; L476-F555 HydrophobicContact CD2-CZ 4.22Å; K477-F555 HydrophobicContact CG-CE1 4.21Å; K477-F555 HydrophobicContact CG-CZ 4.13Å; L530-F555 HydrophobicContact CD1-CE1 3.99Å; L530-F555 HydrophobicContact CD1-CZ 4.46Å; L530-F555 HydrophobicContact CD2-CD1 4.09Å; L530-F555 HydrophobicContact CD2-CE1 4.15Å; L534-F555 HydrophobicContact CD1-CB 4.13Å; L534-F555 HydrophobicContact CD1-CD1 4.25Å; L534-F555 HydrophobicContact CD1-CD2 3.7Å; L534-F555 HydrophobicContact CD1-CE2 4.14Å; L534-F555 HydrophobicContact CD1-CG 3.75Å; L534-F555 HydrophobicContact CD2-CD2 3.9Å; L534-F555 HydrophobicContact CD2-CE2 3.5Å; L534-F555 HydrophobicContact CD2-CZ 3.9Å; L534-F555 HydrophobicContact CG-CD2 4.48Å; L534-F555 HydrophobicContact CG-CE2 4.47Å; L551-F555 PolarHBondContact O-N 3.05Å; G552-F555 PolarHBondContact O-N 3.27Å; F555-T558 CarbonylContact O-C 3.49Å; F555-T558 WeakPolarHBondContact O-CA 3.36Å; F555-T558 PolarHBondContact O-N 3.46Å; F555-L559 HydrophobicContact CB-CD1 4.2Å; F555-L559 HydrophobicContact CB-CG 4.44Å; F555-L559 HydrophobicContact CD1-CD1 4.42Å; F555-L559 HydrophobicContact CD1-CG 4.39Å; F555-L559 WeakPolarHBondContact O-CB 3.39Å; F555-L559 VanDerWaalsContact O-CG 3.31Å; F555-L559 WeakPolarHBondContact O-CG 3.36Å; F555-L559 PolarHBondContact O-N 3.3Å; F555-V580 HydrophobicContact CB-CG1 3.98Å
556G88.6Confident80.6Confident0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-46.7-65.7172.500000113.1G552 T558 L559 M560G552-G556 WeakPolarHBondContact O-CA 3.44Å; G552-G556 PolarHBondContact O-N 3.36Å; G556-T558 PolarHBondContact O-N 3.17Å; G556-L559 PolarHBondContact O-N 2.98Å; G556-M560 WeakPolarHBondContact O-CB 3.3Å; G556-M560 PolarHBondContact O-N 2.88Å
557P82.4Confident78.2Confident33 Ų3334.9 Ų34.921%0.21419%0.191CC..Hα-helixtrans-67.7-13.6177.527.2-35.7000114.4V553 I573V553-P557 WeakPolarHBondContact O-CD 3.41Å; P557-I573 HydrophobicContact CB-CG2 4.25Å; P557-I573 HydrophobicContact CG-CG2 4.4Å
558T85.6Confident76.3Confident0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-83.1-38175.5-59.90000111.4K477 L480 R481 I554 F555 G556 R561K477-T558 HydrophobicContact CB-CG2 4.46Å; L480-T558 HydrophobicContact CB-CG2 4.11Å; R481-T558 PolarHBondContact NH2-OG1 3.38Å; I554-T558 PolarHBondContact O-OG1 3.42Å; F555-T558 CarbonylContact O-C 3.49Å; F555-T558 WeakPolarHBondContact O-CA 3.36Å; F555-T558 PolarHBondContact O-N 3.46Å; G556-T558 PolarHBondContact O-N 3.17Å; T558-R561 PolarHBondContact O-NH1 3.17Å
559L89.7Confident74.9Confident1 Ų133.1 Ų33.11%0.00519%0.186CC..Hα-helixtrans-95.9-25.5-175.2-61.3-178.8000114.3L480 P486 L487 M488 L527 L530 F555 G556 V580L480-L559 HydrophobicContact CD1-CD2 4.1Å; P486-L559 WeakPolarHBondContact CB-O 3.25Å; L487-L559 HydrophobicContact CB-CD2 4.18Å; L487-L559 HydrophobicContact CD2-CD2 3.95Å; M488-L559 HydrophobicContact CG-CB 4.24Å; M488-L559 PolarHBondContact N-O 3.45Å; L527-L559 HydrophobicContact CD1-CD1 4.1Å; L530-L559 HydrophobicContact CD2-CD1 3.86Å; L530-L559 HydrophobicContact CD2-CD2 3.62Å; L530-L559 HydrophobicContact CD2-CG 4.28Å; F555-L559 HydrophobicContact CB-CD1 4.2Å; F555-L559 HydrophobicContact CB-CG 4.44Å; F555-L559 HydrophobicContact CD1-CD1 4.42Å; F555-L559 HydrophobicContact CD1-CG 4.39Å; F555-L559 WeakPolarHBondContact O-CB 3.39Å; F555-L559 VanDerWaalsContact O-CG 3.31Å; F555-L559 WeakPolarHBondContact O-CG 3.36Å; F555-L559 PolarHBondContact O-N 3.3Å; G556-L559 PolarHBondContact O-N 2.98Å; L559-V580 HydrophobicContact CD1-CG2 4.23Å
560M86.2Confident73.5Confident0 Ų032.6 Ų32.60%018%0.18CC..  trans-122.250.5-172.6-64.6-172.170.300112.9M488 H493 F496 I497 G556 S562 Q576 V579M488-M560 HydrophobicContact CB-CG 3.84Å; M488-M560 HydrophobicContact CE-CE 4.43Å; M488-M560 HydrophobicContact CE-CG 4.21Å; M488-M560 HydrophobicContact CE-SD 3.97Å; M488-M560 HydrophobicContact CG-CG 3.66Å; H493-M560 PolarHBondContact CE1-O 3.21Å; H493-M560 PolarHBondContact ND1-O 3.23Å; F496-M560 HydrophobicContact CB-CE 3.45Å; F496-M560 VanDerWaalsContact CB-CE 3.45Å; F496-M560 HydrophobicContact CD2-CE 4.45Å; F496-M560 HydrophobicContact CG-CE 4.14Å; I497-M560 HydrophobicContact CD1-CE 4.04Å; I497-M560 HydrophobicContact CG1-CE 4.26Å; G556-M560 WeakPolarHBondContact O-CB 3.3Å; G556-M560 PolarHBondContact O-N 2.88Å; M560-S562 PolarHBondContact O-N 3.23Å; M560-Q576 HydrophobicContact CB-CB 4.09Å; M560-Q576 HydrophobicContact CB-CG 3.78Å; M560-Q576 VanDerWaalsContact O-CD 3.27Å; M560-Q576 PolarHBondContact O-NE2 3.02Å; M560-Q576 PolarHBondContact O-OE1 3.29Å; M560-Q576 HydrophobicContact SD-CB 4.13Å; M560-Q576 HydrophobicContact SD-CG 4.29Å; M560-V579 HydrophobicContact CE-CB 4.46Å; M560-V579 HydrophobicContact CE-CG1 4.41Å; M560-V579 HydrophobicContact CE-CG2 4.09Å; M560-V579 HydrophobicContact SD-CB 3.64Å; M560-V579 HydrophobicContact SD-CG1 3.66Å; M560-V579 HydrophobicContact SD-CG2 3.91Å
561R79.1Confident72Confident44 Ų4433.6 Ų33.617%0.16618%0.184CC..  trans-57.6130.6175.7-60.2-174.5-67-77.516.5110.9L480 R481 L483 P486 F490 T558L480-R561 PolarHBondContact O-NH1 2.8Å; L480-R561 PolarHBondContact O-NH2 2.87Å; R481-R561 PolarHBondContact O-NE 3.35Å; R481-R561 PolarHBondContact O-NH2 2.85Å; L483-R561 PolarHBondContact O-NH2 3.19Å; P486-R561 HydrophobicContact CB-CB 4.1Å; P486-R561 HydrophobicContact CB-CG 4.47Å; P486-R561 HydrophobicContact CG-CB 4.28Å; F490-R561 HydrophobicContact CE1-CB 4.47Å; F490-R561 WeakPolarHBondContact CE1-O 3.28Å; T558-R561 PolarHBondContact O-NH1 3.17Å
562S64.9Low71.1Confident37 Ų3735 Ų3526%0.25919%0.192SC..  trans-74.3147.6171.956.40000110.7M560 E564M560-S562 PolarHBondContact O-N 3.23Å; S562-E564 VanDerWaalsContact C-N 3.32Å; S562-E564 PolarHBondContact OG-O 3.42Å
563Q63.6Low70.6Confident128 Ų12835.8 Ų35.860%0.59820%0.196SC*.SBendtrans-78.9-21172.1-165.3175.7100112.2F490F490-Q563 HydrophobicContact CB-CB 4.47Å; F490-Q563 HydrophobicContact CD1-CB 3.69Å; F490-Q563 HydrophobicContact CD1-CG 4.32Å; F490-Q563 HydrophobicContact CE1-CB 4.05Å; F490-Q563 HydrophobicContact CG-CB 4.12Å; F490-Q563 HydrophobicContact CG-CG 4.4Å
564E57.9Low70.2Confident67 Ų6735.3 Ų35.331%0.31319%0.191SC..SBendtrans-99.1132.2177.8-69.6162.2-140.900110.1P263 K494 S562 T566 A569P263-E564 HydrophobicContact CG-CG 4.5Å; K494-E564 VanDerWaalsContact CE-OE1 3.25Å; K494-E564 WeakPolarHBondContact CE-OE1 3.38Å; K494-E564 IonicContact NZ-OE1 2.74Å; K494-E564 PolarHBondContact NZ-OE1 2.59Å; S562-E564 VanDerWaalsContact C-N 3.32Å; S562-E564 PolarHBondContact OG-O 3.42Å; E564-T566 HydrophobicContact CB-CG2 4.43Å; E564-T566 PolarHBondContact O-N 3.33Å; E564-A569 HydrophobicContact CB-CB 4.39Å; E564-A569 VanDerWaalsContact O-CB 3.26Å; E564-A569 WeakPolarHBondContact O-CB 3.43Å
565E53.9Low70Confident65 Ų6534.1 Ų34.130%0.30419%0.185SC..  trans-97.649.9179.4-56-138.8118.500111.9L249 R252 Y260L249-E565 HydrophobicContact CD1-CB 3.99Å; R252-E565 IonicContact CZ-OE1 3.73Å; R252-E565 IonicContact CZ-OE2 3.61Å; R252-E565 IonicContact NH1-OE1 2.83Å; R252-E565 PolarHBondContact NH1-OE1 3.25Å; R252-E565 IonicContact NH1-OE2 3.92Å; R252-E565 PolarHBondContact NH1-OE2 2.9Å; R252-E565 VanDerWaalsContact NH2-CD 3.31Å; R252-E565 IonicContact NH2-OE1 3.17Å; R252-E565 PolarHBondContact NH2-OE1 2.94Å; R252-E565 IonicContact NH2-OE2 2.62Å; R252-E565 PolarHBondContact NH2-OE2 2.93Å; Y260-E565 PolarHBondContact OH-OE2 3.04Å
566T52.4Low69.8Low53 Ų5334.3 Ų34.333%0.32519%0.186SC..SBendtrans-104.2158.3-17766.60000112.2E564 A568 A569 M570E564-T566 HydrophobicContact CB-CG2 4.43Å; E564-T566 PolarHBondContact O-N 3.33Å; T566-A568 PolarHBondContact O-N 2.88Å; T566-A569 WeakPolarHBondContact O-CB 3.45Å; T566-A569 PolarHBondContact O-N 3.29Å; T566-A569 VanDerWaalsContact O-N 3.1Å; T566-A569 WeakPolarHBondContact OG1-CB 3.34Å; T566-A569 PolarHBondContact OG1-N 2.83Å; T566-M570 PolarHBondContact O-N 3.47Å
567V39.2Very low69.8Low76 Ų7634.6 Ų34.646%0.46119%0.187SC..Hα-helixtrans-59.7-36.9173.4178.40000111M570 M571V567-M570 PolarHBondContact O-N 3.03Å; V567-M571 HydrophobicContact CG1-CE 3.86Å; V567-M571 HydrophobicContact CG1-SD 4.37Å; V567-M571 WeakPolarHBondContact O-CG 3.29Å; V567-M571 PolarHBondContact O-N 3Å
568A49.9Very low70.1Confident49 Ų4934 Ų3441%0.40518%0.182SC..Hα-helixtrans-64.4-38.8174.100000112.5T566 M570 M571 N572T566-A568 PolarHBondContact O-N 2.88Å; A568-M570 VanDerWaalsContact C-N 3.34Å; A568-M571 PolarHBondContact O-N 2.75Å; A568-N572 PolarHBondContact O-N 2.61Å; A568-N572 PolarHBondContact O-ND2 3Å
569A60.2Low70.4Confident7 Ų734 Ų346%0.05818%0.182CC..Hα-helixtrans-64.2-37.7171.800000112E564 T566 N572E564-A569 HydrophobicContact CB-CB 4.39Å; E564-A569 VanDerWaalsContact O-CB 3.26Å; E564-A569 WeakPolarHBondContact O-CB 3.43Å; T566-A569 WeakPolarHBondContact O-CB 3.45Å; T566-A569 PolarHBondContact O-N 3.29Å; T566-A569 VanDerWaalsContact O-N 3.1Å; T566-A569 WeakPolarHBondContact OG1-CB 3.34Å; T566-A569 PolarHBondContact OG1-N 2.83Å; A569-N572 WeakPolarHBondContact O-CB 3.3Å; A569-N572 PolarHBondContact O-N 3.15Å; A569-N572 VanDerWaalsContact O-N 3.12Å
570M58.4Low70.6Confident20 Ų2034 Ų3410%0.09918%0.182CC..Hα-helixtrans-69.3-34.6174.7-68.5-162.3153.800113.6E245 V246 L249 T566 V567 A568 N572 I573E245-M570 VanDerWaalsContact C-SD 3.59Å; E245-M570 HydrophobicContact CB-CE 3.94Å; E245-M570 HydrophobicContact CB-SD 4.13Å; E245-M570 WeakPolarHBondContact O-CE 3.32Å; V246-M570 HydrophobicContact CG2-CB 4.26Å; V246-M570 HydrophobicContact CG2-SD 3.95Å; L249-M570 HydrophobicContact CB-CE 3.74Å; L249-M570 HydrophobicContact CB-SD 3.77Å; L249-M570 HydrophobicContact CD2-CE 4.12Å; L249-M570 HydrophobicContact CD2-CG 4.3Å; L249-M570 HydrophobicContact CD2-SD 3.64Å; L249-M570 HydrophobicContact CG-CE 4.36Å; L249-M570 HydrophobicContact CG-SD 4.31Å; T566-M570 PolarHBondContact O-N 3.47Å; V567-M570 PolarHBondContact O-N 3.03Å; A568-M570 VanDerWaalsContact C-N 3.34Å; M570-N572 PolarHBondContact O-N 2.72Å; M570-N572 VanDerWaalsContact O-N 3.17Å; M570-I573 HydrophobicContact CB-CD1 4.09Å; M570-I573 HydrophobicContact CG-CD1 4.17Å; M570-I573 WeakPolarHBondContact O-CB 3.36Å; M570-I573 VanDerWaalsContact O-CG1 3.28Å; M570-I573 WeakPolarHBondContact O-CG1 3.31Å; M570-I573 PolarHBondContact O-N 2.8Å
571M57.4Low70.8Confident64 Ų6435.7 Ų35.732%0.31519%0.19SC..Hα-helixtrans-62.3-18169.9-72.6168.3172.900112.8I72 V567 A568I72-M571 HydrophobicContact CB-CE 4.39Å; I72-M571 HydrophobicContact CG2-CE 3.45Å; I72-M571 VanDerWaalsContact CG2-CE 3.45Å; I72-M571 HydrophobicContact CG2-SD 4.2Å; V567-M571 HydrophobicContact CG1-CE 3.86Å; V567-M571 HydrophobicContact CG1-SD 4.37Å; V567-M571 WeakPolarHBondContact O-CG 3.29Å; V567-M571 PolarHBondContact O-N 3Å; A568-M571 PolarHBondContact O-N 2.75Å
572N71.5Confident71.5Confident30 Ų3034.2 Ų34.216%0.1619%0.185CC..THydrogen-bonded Turntrans-83.5-5.3172.3-64.2-51.6000114.3I497 K501 A568 A569 M570 K574 F575 Q576I497-N572 HydrophobicContact CD1-CB 4.4Å; I497-N572 HydrophobicContact CG2-CB 4.06Å; K501-N572 VanDerWaalsContact CE-OD1 3.26Å; K501-N572 WeakPolarHBondContact CE-OD1 3.28Å; K501-N572 PolarHBondContact NZ-OD1 2.94Å; A568-N572 PolarHBondContact O-N 2.61Å; A568-N572 PolarHBondContact O-ND2 3Å; A569-N572 WeakPolarHBondContact O-CB 3.3Å; A569-N572 PolarHBondContact O-N 3.15Å; A569-N572 VanDerWaalsContact O-N 3.12Å; M570-N572 PolarHBondContact O-N 2.72Å; M570-N572 VanDerWaalsContact O-N 3.17Å; N572-K574 VanDerWaalsContact C-N 3.29Å; N572-K574 PolarHBondContact O-N 3.35Å; N572-F575 WeakPolarHBondContact O-CB 3.48Å; N572-F575 PolarHBondContact O-N 3.43Å; N572-Q576 PolarHBondContact O-N 2.72Å; N572-Q576 VanDerWaalsContact O-N 3.16Å
573I75.8Confident72.9Confident16 Ų1632.4 Ų32.48%0.08217%0.173CC..Hα-helixtrans-62.1-36.9178.4-64.4166.9000111.2E245 P557 M570 F575 Q576 N577E245-I573 HydrophobicContact CB-CD1 4.36Å; E245-I573 HydrophobicContact CG-CD1 4.49Å; P557-I573 HydrophobicContact CB-CG2 4.25Å; P557-I573 HydrophobicContact CG-CG2 4.4Å; M570-I573 HydrophobicContact CB-CD1 4.09Å; M570-I573 HydrophobicContact CG-CD1 4.17Å; M570-I573 WeakPolarHBondContact O-CB 3.36Å; M570-I573 VanDerWaalsContact O-CG1 3.28Å; M570-I573 WeakPolarHBondContact O-CG1 3.31Å; M570-I573 PolarHBondContact O-N 2.8Å; I573-F575 PolarHBondContact O-N 3.34Å; I573-Q576 WeakPolarHBondContact O-CA 3.47Å; I573-Q576 WeakPolarHBondContact O-CB 3.31Å; I573-Q576 PolarHBondContact O-N 3.35Å; I573-N577 PolarHBondContact O-N 3.01Å; I573-N577 VanDerWaalsContact O-N 3.13Å; I573-N577 PolarHBondContact O-OD1 2.97Å
574K77.4Confident74.4Confident23 Ų2326.7 Ų26.710%0.115%0.146CC..Hα-helixtrans-57.2-33.3173.969.6-172.7179.9169.70112.9A75 T77 E80 N572 I578A75-K574 PolarHBondContact O-NZ 3.35Å; T77-K574 HydrophobicContact CG2-CB 4.41Å; T77-K574 HydrophobicContact CG2-CD 3.69Å; T77-K574 HydrophobicContact CG2-CG 3.89Å; E80-K574 IonicContact OE1-NZ 2.62Å; E80-K574 PolarHBondContact OE1-NZ 2.81Å; E80-K574 IonicContact OE2-NZ 2.65Å; E80-K574 PolarHBondContact OE2-NZ 3.28Å; N572-K574 VanDerWaalsContact C-N 3.29Å; N572-K574 PolarHBondContact O-N 3.35Å; K574-I578 WeakPolarHBondContact O-CG1 3.4Å; K574-I578 PolarHBondContact O-N 3.33Å
575F84.1Confident76Confident4 Ų429.2 Ų29.22%0.01816%0.158CC..Hα-helixtrans-78.5-28.9175.1-62.8-67000112.7A75 T77 I497 V500 K501 N572 I573 N577 I578 V579A75-F575 HydrophobicContact CB-CE2 4.29Å; A75-F575 HydrophobicContact CB-CZ 3.82Å; T77-F575 HydrophobicContact CG2-CD1 4.43Å; T77-F575 HydrophobicContact CG2-CE1 3.85Å; T77-F575 HydrophobicContact CG2-CZ 4.13Å; I497-F575 HydrophobicContact CD1-CB 3.82Å; I497-F575 HydrophobicContact CG2-CB 4.33Å; V500-F575 HydrophobicContact CG2-CB 3.77Å; V500-F575 HydrophobicContact CG2-CD1 4.17Å; V500-F575 HydrophobicContact CG2-CG 4.38Å; K501-F575 HydrophobicContact CD-CD2 4.43Å; K501-F575 HydrophobicContact CD-CE2 4.32Å; K501-F575 HydrophobicContact CG-CD1 3.89Å; K501-F575 HydrophobicContact CG-CD2 4.15Å; K501-F575 HydrophobicContact CG-CE1 3.77Å; K501-F575 HydrophobicContact CG-CE2 4.07Å; K501-F575 HydrophobicContact CG-CG 4.09Å; K501-F575 HydrophobicContact CG-CZ 3.88Å; N572-F575 WeakPolarHBondContact O-CB 3.48Å; N572-F575 PolarHBondContact O-N 3.43Å; I573-F575 PolarHBondContact O-N 3.34Å; F575-N577 VanDerWaalsContact C-N 3.27Å; F575-N577 PolarHBondContact O-N 3.49Å; F575-I578 HydrophobicContact CD1-CD1 4.12Å; F575-I578 PolarHBondContact O-N 2.92Å; F575-V579 WeakPolarHBondContact O-CG2 3.08Å; F575-V579 PolarHBondContact O-N 3.3Å
576Q87.9Confident77.9Confident4 Ų428 Ų282%0.01915%0.154CC..Hα-helixtrans-63-36.5171.4-59.716617.300111.4I497 M560 N572 I573 V579 V580I497-Q576 HydrophobicContact CD1-CG 3.72Å; M560-Q576 HydrophobicContact CB-CB 4.09Å; M560-Q576 HydrophobicContact CB-CG 3.78Å; M560-Q576 VanDerWaalsContact O-CD 3.27Å; M560-Q576 PolarHBondContact O-NE2 3.02Å; M560-Q576 PolarHBondContact O-OE1 3.29Å; M560-Q576 HydrophobicContact SD-CB 4.13Å; M560-Q576 HydrophobicContact SD-CG 4.29Å; N572-Q576 PolarHBondContact O-N 2.72Å; N572-Q576 VanDerWaalsContact O-N 3.16Å; I573-Q576 WeakPolarHBondContact O-CA 3.47Å; I573-Q576 WeakPolarHBondContact O-CB 3.31Å; I573-Q576 PolarHBondContact O-N 3.35Å; Q576-V579 PolarHBondContact O-N 3.24Å; Q576-V580 PolarHBondContact O-N 2.98Å
577N88.7Confident79.8Confident5 Ų526.3 Ų26.33%0.02714%0.142CC..Hα-helixtrans-62-49.6174.8-55.6-11.6000110.4N238 G552 I573 F575 V579 V580 E581N238-N577 PolarHBondContact OD1-ND2 3.5Å; N238-N577 VanDerWaalsContact OD1-ND2 3.16Å; G552-N577 PolarHBondContact O-OD1 3.48Å; I573-N577 PolarHBondContact O-N 3.01Å; I573-N577 VanDerWaalsContact O-N 3.13Å; I573-N577 PolarHBondContact O-OD1 2.97Å; F575-N577 VanDerWaalsContact C-N 3.27Å; F575-N577 PolarHBondContact O-N 3.49Å; N577-V579 VanDerWaalsContact C-N 3.32Å; N577-V579 PolarHBondContact O-N 2.98Å; N577-V580 PolarHBondContact O-N 3.38Å; N577-E581 WeakPolarHBondContact O-CG 3.3Å; N577-E581 PolarHBondContact O-N 2.94Å
578I87.6Confident82.2Confident22 Ų2227.7 Ų27.711%0.11315%0.147CC..Hα-helixtrans-59.9-37.4178.5-64.5168.6000112.2T77 V500 K574 F575 V580 E581 I582T77-I578 HydrophobicContact CG2-CD1 3.85Å; V500-I578 HydrophobicContact CB-CG2 4.03Å; V500-I578 HydrophobicContact CG1-CG2 4.28Å; K574-I578 WeakPolarHBondContact O-CG1 3.4Å; K574-I578 PolarHBondContact O-N 3.33Å; F575-I578 HydrophobicContact CD1-CD1 4.12Å; F575-I578 PolarHBondContact O-N 2.92Å; I578-V580 VanDerWaalsContact C-N 3.34Å; I578-V580 PolarHBondContact O-N 3.36Å; I578-E581 PolarHBondContact O-N 3.13Å; I578-I582 HydrophobicContact CG2-CD1 3.91Å; I578-I582 HydrophobicContact CG2-CG1 4.49Å; I578-I582 WeakPolarHBondContact O-CB 3.45Å; I578-I582 WeakPolarHBondContact O-CG1 3.43Å; I578-I582 PolarHBondContact O-N 3.16Å
579V92.6Very high84.1Confident0 Ų028.5 Ų28.50%014%0.141CC..Hα-helixtrans-60.7-43.9173.4175.20000110.9M488 F496 V500 V512 M560 F575 Q576 N577 I582 L583M488-V579 HydrophobicContact CE-CG1 3.49Å; M488-V579 VanDerWaalsContact CE-CG1 3.49Å; F496-V579 HydrophobicContact CB-CG2 4.34Å; F496-V579 HydrophobicContact CD1-CG1 4.17Å; V500-V579 HydrophobicContact CB-CG2 4.25Å; V500-V579 HydrophobicContact CG1-CB 4.41Å; V500-V579 HydrophobicContact CG1-CG2 3.47Å; V500-V579 VanDerWaalsContact CG1-CG2 3.47Å; V500-V579 HydrophobicContact CG2-CG2 3.78Å; V512-V579 HydrophobicContact CG1-CG1 4.48Å; M560-V579 HydrophobicContact CE-CB 4.46Å; M560-V579 HydrophobicContact CE-CG1 4.41Å; M560-V579 HydrophobicContact CE-CG2 4.09Å; M560-V579 HydrophobicContact SD-CB 3.64Å; M560-V579 HydrophobicContact SD-CG1 3.66Å; M560-V579 HydrophobicContact SD-CG2 3.91Å; F575-V579 WeakPolarHBondContact O-CG2 3.08Å; F575-V579 PolarHBondContact O-N 3.3Å; Q576-V579 PolarHBondContact O-N 3.24Å; N577-V579 VanDerWaalsContact C-N 3.32Å; N577-V579 PolarHBondContact O-N 2.98Å; V579-I582 PolarHBondContact O-N 3.46Å; V579-L583 HydrophobicContact CG1-CD1 4.13Å; V579-L583 VanDerWaalsContact O-CG 3.23Å; V579-L583 WeakPolarHBondContact O-CG 3.42Å; V579-L583 PolarHBondContact O-N 3.2Å
580V93.3Very high85.5Confident1 Ų128.2 Ų28.21%0.00614%0.138CC..Hα-helixtrans-71.7-35179.4175.20000112L534 F555 L559 Q576 N577 I578 L583 I584L534-V580 HydrophobicContact CD1-CG1 4.47Å; F555-V580 HydrophobicContact CB-CG1 3.98Å; L559-V580 HydrophobicContact CD1-CG2 4.23Å; Q576-V580 PolarHBondContact O-N 2.98Å; N577-V580 PolarHBondContact O-N 3.38Å; I578-V580 VanDerWaalsContact C-N 3.34Å; I578-V580 PolarHBondContact O-N 3.36Å; V580-L583 PolarHBondContact O-N 2.94Å; V580-I584 HydrophobicContact CG1-CD1 3.89Å; V580-I584 HydrophobicContact CG1-CG1 4.48Å; V580-I584 VanDerWaalsContact O-CG1 3.3Å; V580-I584 WeakPolarHBondContact O-CG1 3.48Å; V580-I584 PolarHBondContact O-N 2.97Å
581E91.9Very high87Confident35 Ų3527.5 Ų27.516%0.16414%0.135CC..Hα-helixtrans-59-51.9171.4-70.6161.4-173.200110.7V548 S549 N577 I578 L583 I584 E585V548-E581 HydrophobicContact CG1-CB 4.15Å; V548-E581 HydrophobicContact CG1-CG 4.19Å; S549-E581 VanDerWaalsContact CA-OE1 3.22Å; S549-E581 WeakPolarHBondContact CA-OE1 2.9Å; S549-E581 WeakPolarHBondContact CB-OE1 3.14Å; S549-E581 PolarHBondContact OG-OE1 3.25Å; N577-E581 WeakPolarHBondContact O-CG 3.3Å; N577-E581 PolarHBondContact O-N 2.94Å; I578-E581 PolarHBondContact O-N 3.13Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 3.2Å; E581-I584 PolarHBondContact O-N 3.22Å; E581-I584 VanDerWaalsContact O-N 3.14Å; E581-E585 WeakPolarHBondContact O-CG 3.48Å; E581-E585 PolarHBondContact O-N 3.12Å
582I92.5Very high88.5Confident12 Ų1230 Ų306%0.06215%0.145CC..Hα-helixtrans-56.4-42.8175.7-73.4166.9000111.8V500 R508 V509 V512 I578 V579 I584 N586 I590V500-I582 HydrophobicContact CG1-CD1 3.74Å; R508-I582 HydrophobicContact CB-CD1 4.03Å; V509-I582 HydrophobicContact CG2-CG2 4.16Å; V512-I582 HydrophobicContact CB-CG2 4.12Å; V512-I582 HydrophobicContact CG1-CG2 4.03Å; V512-I582 HydrophobicContact CG2-CG2 4.33Å; I578-I582 HydrophobicContact CG2-CD1 3.91Å; I578-I582 HydrophobicContact CG2-CG1 4.49Å; I578-I582 WeakPolarHBondContact O-CB 3.45Å; I578-I582 WeakPolarHBondContact O-CG1 3.43Å; I578-I582 PolarHBondContact O-N 3.16Å; V579-I582 PolarHBondContact O-N 3.46Å; I582-I584 PolarHBondContact O-N 3.08Å; I582-N586 VanDerWaalsContact O-CB 3.28Å; I582-N586 WeakPolarHBondContact O-CB 3.13Å; I582-N586 PolarHBondContact O-N 2.67Å; I582-N586 PolarHBondContact O-ND2 3.07Å; I582-I590 HydrophobicContact CG2-CD1 4.16Å
583L94.7Very high89.2Confident0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-60.9-42.1178.2-75169.7000112.4M488 V512 V516 L527 I531 V579 V580 E581 F587 I590 F591M488-L583 HydrophobicContact CE-CD1 4.1Å; M488-L583 HydrophobicContact SD-CD1 4.37Å; V512-L583 HydrophobicContact CG1-CD2 4.05Å; V512-L583 HydrophobicContact CG1-CG 4.33Å; V516-L583 HydrophobicContact CG2-CD2 3.64Å; L527-L583 HydrophobicContact CD1-CD1 4.46Å; L527-L583 HydrophobicContact CD2-CD1 4.46Å; I531-L583 HydrophobicContact CD1-CB 3.9Å; I531-L583 HydrophobicContact CD1-CD1 4.11Å; I531-L583 HydrophobicContact CG1-CB 4.13Å; I531-L583 HydrophobicContact CG1-CD1 4.42Å; I531-L583 HydrophobicContact CG2-CB 4.11Å; I531-L583 VanDerWaalsContact CG2-O 3.27Å; I531-L583 WeakPolarHBondContact CG2-O 3.49Å; V579-L583 HydrophobicContact CG1-CD1 4.13Å; V579-L583 VanDerWaalsContact O-CG 3.23Å; V579-L583 WeakPolarHBondContact O-CG 3.42Å; V579-L583 PolarHBondContact O-N 3.2Å; V580-L583 PolarHBondContact O-N 2.94Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 3.2Å; L583-F587 WeakPolarHBondContact O-CA 3.4Å; L583-F587 PolarHBondContact O-N 2.66Å; L583-F587 VanDerWaalsContact O-N 3.16Å; L583-I590 HydrophobicContact CD2-CD1 4.11Å; L583-I590 HydrophobicContact CD2-CG2 4.11Å; L583-F591 HydrophobicContact CD2-CE2 4.14Å; L583-F591 HydrophobicContact CD2-CZ 4.18Å
584I94.4Very high89.5Confident7 Ų738.1 Ų38.14%0.03619%0.191CC..Hα-helixtrans-71.3-50.8179.3-65.6164.9000110.2I531 L534 V535 V548 L551 V580 E581 I582 N586 F587I531-I584 HydrophobicContact CD1-CG1 4.49Å; I531-I584 HydrophobicContact CG2-CG1 4.18Å; L534-I584 HydrophobicContact CB-CD1 3.79Å; L534-I584 HydrophobicContact CB-CG1 3.92Å; L534-I584 HydrophobicContact CD1-CD1 4.02Å; V535-I584 HydrophobicContact CG2-CG2 3.9Å; V535-I584 WeakPolarHBondContact CG2-O 3.44Å; V548-I584 HydrophobicContact CB-CG2 4.42Å; V548-I584 HydrophobicContact CG1-CB 3.81Å; V548-I584 HydrophobicContact CG1-CD1 4.15Å; V548-I584 HydrophobicContact CG1-CG2 3.79Å; V548-I584 HydrophobicContact CG2-CG2 3.91Å; L551-I584 HydrophobicContact CB-CD1 4.07Å; L551-I584 HydrophobicContact CD1-CD1 4.49Å; V580-I584 HydrophobicContact CG1-CD1 3.89Å; V580-I584 HydrophobicContact CG1-CG1 4.48Å; V580-I584 VanDerWaalsContact O-CG1 3.3Å; V580-I584 WeakPolarHBondContact O-CG1 3.48Å; V580-I584 PolarHBondContact O-N 2.97Å; E581-I584 PolarHBondContact O-N 3.22Å; E581-I584 VanDerWaalsContact O-N 3.14Å; I582-I584 PolarHBondContact O-N 3.08Å; I584-N586 VanDerWaalsContact C-N 3.3Å; I584-N586 PolarHBondContact O-N 3.19Å; I584-F587 PolarHBondContact O-N 2.99Å
585E92.6Very high89.8Confident121 Ų12139 Ų3957%0.56520%0.199SC*.Hα-helixtrans-61-37.4-179.2-69.3-178165.800113V548 E581V548-E585 HydrophobicContact CG1-CG 4.13Å; E581-E585 WeakPolarHBondContact O-CG 3.48Å; E581-E585 PolarHBondContact O-N 3.12Å
586N92.6Very high89.5Confident40 Ų4043 Ų4321%0.21422%0.221CC..THydrogen-bonded Turntrans-107.316.9-172.4-61.7-97000113V509 I582 I584 N588 K589 I590V509-N586 HydrophobicContact CG1-CB 4.09Å; V509-N586 WeakPolarHBondContact CG1-OD1 3.08Å; I582-N586 VanDerWaalsContact O-CB 3.28Å; I582-N586 WeakPolarHBondContact O-CB 3.13Å; I582-N586 PolarHBondContact O-N 2.67Å; I582-N586 PolarHBondContact O-ND2 3.07Å; I584-N586 VanDerWaalsContact C-N 3.3Å; I584-N586 PolarHBondContact O-N 3.19Å; N586-N588 PolarHBondContact O-N 3.27Å; N586-K589 WeakPolarHBondContact O-CA 3.41Å; N586-K589 WeakPolarHBondContact O-CB 3.41Å; N586-K589 PolarHBondContact O-N 3.07Å; N586-I590 HydrophobicContact CB-CD1 3.74Å; N586-I590 HydrophobicContact CB-CG1 4.04Å; N586-I590 PolarHBondContact O-N 3.34Å
587F93.4Very high88.5Confident16 Ų1648.7 Ų48.77%0.0726%0.259CS..Hα-helixtrans-44.4-53.5-173.1173.1-102.7000113.7E528 I531 K532 V535 L583 I584 K589 I590 F591 H592E528-F587 HydrophobicContact CG-CE2 4.07Å; E528-F587 HydrophobicContact CG-CZ 4.3Å; I531-F587 HydrophobicContact CB-CD2 4.15Å; I531-F587 HydrophobicContact CG2-CB 4.38Å; I531-F587 HydrophobicContact CG2-CD2 3.7Å; I531-F587 HydrophobicContact CG2-CG 4.44Å; K532-F587 HydrophobicContact CB-CE1 4.3Å; K532-F587 HydrophobicContact CB-CE2 3.84Å; K532-F587 HydrophobicContact CB-CZ 3.63Å; K532-F587 HydrophobicContact CD-CZ 4.46Å; K532-F587 HydrophobicContact CG-CE1 4.28Å; K532-F587 HydrophobicContact CG-CZ 4Å; V535-F587 HydrophobicContact CG2-CB 3.78Å; V535-F587 HydrophobicContact CG2-CG 4.12Å; L583-F587 WeakPolarHBondContact O-CA 3.4Å; L583-F587 PolarHBondContact O-N 2.66Å; L583-F587 VanDerWaalsContact O-N 3.16Å; I584-F587 PolarHBondContact O-N 2.99Å; F587-K589 VanDerWaalsContact C-N 3.29Å; F587-K589 PolarHBondContact O-N 3.28Å; F587-I590 PolarHBondContact O-N 3.45Å; F587-F591 AromaticContact CD2-CD2 3.37Å; F587-F591 HydrophobicContact CD2-CD2 3.37Å; F587-F591 AromaticContact CD2-CE2 3.85Å; F587-F591 HydrophobicContact CD2-CE2 3.85Å; F587-F591 HydrophobicContact CD2-CG 4.19Å; F587-F591 HydrophobicContact CE2-CB 4.18Å; F587-F591 AromaticContact CE2-CD2 3.6Å; F587-F591 HydrophobicContact CE2-CD2 3.6Å; F587-F591 HydrophobicContact CE2-CE2 4.22Å; F587-F591 AromaticContact CE2-CG 3.98Å; F587-F591 HydrophobicContact CE2-CG 3.98Å; F587-F591 HydrophobicContact CG-CD2 4.29Å; F587-F591 WeakPolarHBondContact O-CD2 3.32Å; F587-F591 PolarHBondContact O-N 3.17Å; F587-H592 AromaticContact CE1-CE1 3.64Å; F587-H592 AromaticContact CE1-NE2 3.95Å
588N89.7Confident87.5Confident106 Ų10654.6 Ų54.657%0.56729%0.29SS*.Hα-helixtrans-62.4-32.3-178.8-73.9-54000113.7N586 H592N586-N588 PolarHBondContact O-N 3.27Å; N588-H592 WeakPolarHBondContact O-CB 3.39Å; N588-H592 PolarHBondContact O-N 2.86Å; N588-H592 PolarHBondContact OD1-CE1 2.99Å; N588-H592 PolarHBondContact OD1-ND1 2.68Å
589K88.4Confident86.7Confident66 Ų6654.7 Ų54.729%0.28729%0.291SS..Hα-helixtrans-74.7-46.3174.8178.5-179174.8-175.50110.5V509 C510 H513 N586 F587 Q593V509-K589 HydrophobicContact CG1-CD 4.05Å; C510-K589 PolarHBondContact SG-NZ 2.86Å; H513-K589 PolarHBondContact CE1-O 3.1Å; H513-K589 VanDerWaalsContact CE1-O 3.28Å; H513-K589 PolarHBondContact NE2-O 3.02Å; N586-K589 WeakPolarHBondContact O-CA 3.41Å; N586-K589 WeakPolarHBondContact O-CB 3.41Å; N586-K589 PolarHBondContact O-N 3.07Å; F587-K589 VanDerWaalsContact C-N 3.29Å; F587-K589 PolarHBondContact O-N 3.28Å; K589-Q593 WeakPolarHBondContact O-CB 3.35Å; K589-Q593 PolarHBondContact O-N 3.03Å
590I91.4Very high85.6Confident0 Ų059 Ų590%032%0.32CS..Hα-helixtrans-70.9-42-171.1-69.3174.9000112V512 H513 V516 H517 I582 L583 N586 F587V512-I590 HydrophobicContact CG1-CD1 4.26Å; H513-I590 HydrophobicContact CB-CG1 4.09Å; H513-I590 PolarHBondContact CD2-O 3.02Å; H513-I590 VanDerWaalsContact CD2-O 3.29Å; H513-I590 PolarHBondContact NE2-O 3.28Å; V516-I590 HydrophobicContact CB-CG2 3.96Å; V516-I590 HydrophobicContact CG1-CG2 3.92Å; V516-I590 HydrophobicContact CG2-CG2 3.91Å; H517-I590 PolarHBondContact NE2-O 2.94Å; I582-I590 HydrophobicContact CG2-CD1 4.16Å; L583-I590 HydrophobicContact CD2-CD1 4.11Å; L583-I590 HydrophobicContact CD2-CG2 4.11Å; N586-I590 HydrophobicContact CB-CD1 3.74Å; N586-I590 HydrophobicContact CB-CG1 4.04Å; N586-I590 PolarHBondContact O-N 3.34Å; F587-I590 PolarHBondContact O-N 3.45Å
591F90.2Very high84.4Confident6 Ų662.4 Ų62.43%0.02634%0.338CS..Hα-helixtrans-96.6-38.7-172.8-67.9-82.6000113.7V516 R524 L527 E528 I531 L583 F587V516-F591 HydrophobicContact CG1-CD1 4.27Å; V516-F591 HydrophobicContact CG1-CE1 3.7Å; V516-F591 HydrophobicContact CG1-CZ 4.05Å; R524-F591 HydrophobicContact CG-CE1 4.45Å; R524-F591 PolarHBondContact NH2-O 2.77Å; R524-F591 VanDerWaalsContact NH2-O 3.14Å; L527-F591 HydrophobicContact CD2-CE1 4.35Å; L527-F591 HydrophobicContact CD2-CZ 4Å; L527-F591 HydrophobicContact CG-CE1 4.38Å; L527-F591 HydrophobicContact CG-CZ 4Å; E528-F591 HydrophobicContact CB-CD1 3.47Å; E528-F591 VanDerWaalsContact CB-CD1 3.47Å; E528-F591 HydrophobicContact CB-CE1 3.68Å; E528-F591 HydrophobicContact CB-CG 4.19Å; E528-F591 HydrophobicContact CG-CB 3.88Å; E528-F591 HydrophobicContact CG-CD1 3.49Å; E528-F591 VanDerWaalsContact CG-CD1 3.49Å; E528-F591 HydrophobicContact CG-CE1 4.19Å; E528-F591 HydrophobicContact CG-CG 3.75Å; E528-F591 WeakPolarHBondContact OE2-CD1 3.38Å; I531-F591 HydrophobicContact CB-CE2 4.2Å; I531-F591 HydrophobicContact CB-CZ 4.49Å; I531-F591 HydrophobicContact CG1-CE2 4.38Å; I531-F591 HydrophobicContact CG1-CZ 4.32Å; I531-F591 HydrophobicContact CG2-CE2 4.19Å; L583-F591 HydrophobicContact CD2-CE2 4.14Å; L583-F591 HydrophobicContact CD2-CZ 4.18Å; F587-F591 AromaticContact CD2-CD2 3.37Å; F587-F591 HydrophobicContact CD2-CD2 3.37Å; F587-F591 AromaticContact CD2-CE2 3.85Å; F587-F591 HydrophobicContact CD2-CE2 3.85Å; F587-F591 HydrophobicContact CD2-CG 4.19Å; F587-F591 HydrophobicContact CE2-CB 4.18Å; F587-F591 AromaticContact CE2-CD2 3.6Å; F587-F591 HydrophobicContact CE2-CD2 3.6Å; F587-F591 HydrophobicContact CE2-CE2 4.22Å; F587-F591 AromaticContact CE2-CG 3.98Å; F587-F591 HydrophobicContact CE2-CG 3.98Å; F587-F591 HydrophobicContact CG-CD2 4.29Å; F587-F591 WeakPolarHBondContact O-CD2 3.32Å; F587-F591 PolarHBondContact O-N 3.17Å
592H87.4Confident82.8Confident116 Ų11661.9 Ų61.954%0.53734%0.337SS..Hα-helixtrans-94.7-1.5-176.5-49.7148.1000115.1F587 N588F587-H592 AromaticContact CE1-CE1 3.64Å; F587-H592 AromaticContact CE1-NE2 3.95Å; N588-H592 WeakPolarHBondContact O-CB 3.39Å; N588-H592 PolarHBondContact O-N 2.86Å; N588-H592 PolarHBondContact OD1-CE1 2.99Å; N588-H592 PolarHBondContact OD1-ND1 2.68Å
593Q87.3Confident80.8Confident106 Ų10667.9 Ų67.950%0.49537%0.365SS..SBendtrans-123.2147.4177.1-52.7179.6-5.800111.4H513 H517 K589H513-Q593 PolarHBondContact NE2-O 3.37Å; H517-Q593 PolarHBondContact NE2-O 3.16Å; K589-Q593 WeakPolarHBondContact O-CB 3.35Å; K589-Q593 PolarHBondContact O-N 3.03Å
594P81.9Confident78.2Confident110 Ų11074 Ų7471%0.71440%0.404SS*.PPolyproline II helixtrans-69147.1172.730-34.8000110.9H513H513-P594 PolarHBondContact CE1-O 3.22Å
595P82.9Confident75.5Confident41 Ų4181 Ų8127%0.26644%0.437SS..PPolyproline II helixtrans-71.9148.5173.631.2-35.7000111.4A514 H517A514-P595 HydrophobicContact CB-CB 4.32Å; H517-P595 HydrophobicContact CB-CG 4.04Å
596D77.6Confident72.6Confident89 Ų8980.4 Ų80.448%0.47645%0.446SS..PPolyproline II helixtrans-68.6121.4172.9175.6-3000110N598 V599D596-N598 PolarHBondContact O-N 3.3Å; D596-N598 VanDerWaalsContact O-N 3.14Å; D596-N598 WeakPolarHBondContact OD1-CB 3.37Å; D596-N598 PolarHBondContact OD1-N 3.41Å; D596-N598 PolarHBondContact OD1-ND2 3.39Å; D596-V599 HydrophobicContact CB-CG2 3.94Å; D596-V599 WeakPolarHBondContact O-CG2 3.43Å; D596-V599 PolarHBondContact O-N 3.18Å
597P67.8Low69.8Low124 Ų12489.2 Ų89.281%0.80548%0.476SS*.THydrogen-bonded Turntrans-67.2-11-177.728.5-36.4000114.3
598N67.1Low66.7Low128 Ų12894.9 Ų94.968%0.68451%0.512SS*.THydrogen-bonded Turntrans-90.1-5.4-178.3-56.3-83.2000113.7D596 P600D596-N598 PolarHBondContact O-N 3.3Å; D596-N598 VanDerWaalsContact O-N 3.14Å; D596-N598 WeakPolarHBondContact OD1-CB 3.37Å; D596-N598 PolarHBondContact OD1-N 3.41Å; D596-N598 PolarHBondContact OD1-ND2 3.39Å; N598-P600 VanDerWaalsContact O-CD 3.24Å; N598-P600 WeakPolarHBondContact O-CD 3.44Å
599V72.1Confident64.1Low24 Ų2493.3 Ų93.315%0.14552%0.521CS..PPolyproline II helixtrans-66.8118-1781780000110.5Y507 C510 D596 L601Y507-V599 HydrophobicContact CE2-CG1 4.45Å; C510-V599 HydrophobicContact CB-CG1 4.32Å; C510-V599 HydrophobicContact CB-CG2 3.97Å; D596-V599 HydrophobicContact CB-CG2 3.94Å; D596-V599 WeakPolarHBondContact O-CG2 3.43Å; D596-V599 PolarHBondContact O-N 3.18Å; V599-L601 PolarHBondContact O-N 3.26Å
600P68.4Low61.5Low92 Ų9295.4 Ų95.460%0.59755%0.545SS*.PPolyproline II helixtrans-66.2121.3175.6-19.433.1000110.3Y507 N598Y507-P600 VanDerWaalsContact CE2-O 3.25Å; Y507-P600 WeakPolarHBondContact CE2-O 3.4Å; Y507-P600 PolarHBondContact OH-O 3.11Å; N598-P600 VanDerWaalsContact O-CD 3.24Å; N598-P600 WeakPolarHBondContact O-CD 3.44Å
601L68.6Low59Low72 Ų72106 Ų10638%0.37759%0.585SS.*PPolyproline II helixtrans-70.1149.5174.8-70.3147.1000110.5L515 K518 V599 Q603L515-L601 HydrophobicContact CD2-CD2 4.2Å; K518-L601 HydrophobicContact CD-CD2 4.39Å; K518-L601 VanDerWaalsContact NZ-CD2 3.27Å; V599-L601 PolarHBondContact O-N 3.26Å; L601-Q603 PolarHBondContact O-N 2.69Å; L601-Q603 VanDerWaalsContact O-N 3.15Å
602P58.7Low56.4Low24 Ų24117.3 Ų117.316%0.15663%0.627CS.*PPolyproline II helixtrans-53.5120.9178.4-27.635.5000112.4M498 A499M498-P602 HydrophobicContact CB-CB 3.75Å; M498-P602 HydrophobicContact CB-CG 4.31Å; M498-P602 HydrophobicContact CE-CB 4.08Å; A499-P602 HydrophobicContact CB-CG 4.11Å
603Q50.3Low53.8Low138 Ų138115.7 Ų115.765%0.64563%0.628SS**  trans-113.7145.3170-71.1-173.5-6.400109.4L601 Q605L601-Q603 PolarHBondContact O-N 2.69Å; L601-Q603 VanDerWaalsContact O-N 3.15Å; Q603-Q605 VanDerWaalsContact C-N 3.33Å; Q603-Q605 HydrophobicContact CB-CG 4.21Å; Q603-Q605 PolarHBondContact O-N 2.65Å
604P39.4Very low51.4Low127 Ų127122.1 Ų122.183%0.82565%0.648SS**  trans-71.986.6176.430.2-34.9000110.5
605Q36.9Very low49.1Very low155 Ų155118.9 Ų118.972%0.72463%0.631SS**  trans-99.8142.7178.9-64.9-1700.200112Q603Q603-Q605 VanDerWaalsContact C-N 3.33Å; Q603-Q605 HydrophobicContact CB-CG 4.21Å; Q603-Q605 PolarHBondContact O-N 2.65Å
606S32.1Very low47.2Very low108 Ų108124.1 Ų124.176%0.75566%0.655SS**  trans-70.8130.2177.152.20000111.7T608S606-T608 PolarHBondContact O-N 2.82Å
607R33.5Very low45.4Very low225 Ų225123.8 Ų123.885%0.84966%0.659SS**  trans-39.3122.3-178-64.7178.2174.6-179.1-3.9114.3
608T29.6Very low44.2Very low135 Ų135122.4 Ų122.483%0.82864%0.644SS**  trans-139.9126.8163.245.50000111.7S606S606-T608 PolarHBondContact O-N 2.82Å
609G34.9Very low42.6Very low73 Ų73121.8 Ų121.875%0.75365%0.65SS**  trans56.195.8157.900000118.9R611G609-R611 PolarHBondContact O-N 2.8Å
610S33.6Very low41.2Very low111 Ų111129.5 Ų129.578%0.77668%0.681SS**  trans-52.6122.7164.9174.40000111.5
611R37.8Very low39.5Very low223 Ų223127.7 Ų127.784%0.84268%0.679SS**  trans-98.4118.8163.3-92-174.1168.3-174.4-2.2108.2G609 S613G609-R611 PolarHBondContact O-N 2.8Å; R611-S613 PolarHBondContact O-N 3.2Å; R611-S613 VanDerWaalsContact O-N 3.11Å
612R37.2Very low37.8Very low243 Ų243130.1 Ų130.192%0.91770%0.699SS**  trans-52.9115.5-178.1-66.5176.3177.1165.2-2.2111.5
613S32.5Very low36.9Very low81 Ų81136 Ų13657%0.56672%0.718SS**  trans-62.4150.5161.8-173.90000110.2R611 A615R611-S613 PolarHBondContact O-N 3.2Å; R611-S613 VanDerWaalsContact O-N 3.11Å; S613-A615 PolarHBondContact O-N 2.7Å; S613-A615 VanDerWaalsContact O-N 3.17Å
614R37.3Very low36Very low242 Ų242138.7 Ų138.791%0.91373%0.728SS**  trans-83.485.3172.9-84.3-177167.5176.6-4.1109.3
615A33.3Very low35.5Very low42 Ų42138.9 Ų138.935%0.34773%0.729SS.*  trans-55.2155.7155.600000109.9S613 C617S613-A615 PolarHBondContact O-N 2.7Å; S613-A615 VanDerWaalsContact O-N 3.17Å; A615-C617 PolarHBondContact O-N 2.84Å
616I41.5Very low35.4Very low151 Ų151143.1 Ų143.177%0.77474%0.738SS**  trans-75.572.4174.5-51.5178.4000108.5
617C39.9Very low35.3Very low82 Ų82143.3 Ų143.355%0.55474%0.74SS**PPolyproline II helixtrans-62.8138.1169.9-58.10000109.1A615 S619A615-C617 PolarHBondContact O-N 2.84Å; C617-S619 PolarHBondContact O-N 2.75Å
618L42.7Very low35.2Very low94 Ų94140.2 Ų140.249%0.49274%0.739SS.*PPolyproline II helixtrans-49.6119.2165.8-71.9168000108.8F221 K620F221-L618 HydrophobicContact CD2-CD1 4.49Å; L618-K620 PolarHBondContact O-N 2.89Å; L618-K620 VanDerWaalsContact O-N 3.11Å
619S33.5Very low35.2Very low116 Ų116144.9 Ų144.981%0.81174%0.743SS**PPolyproline II helixtrans-65.6116.5-166.956.20000110.2C617 G621C617-S619 PolarHBondContact O-N 2.75Å; S619-G621 PolarHBondContact O-N 2.67Å
620K43.1Very low34.9Very low186 Ų186144.9 Ų144.981%0.80974%0.736SS**  trans-71.266.3175.7-67.7-169.1177.7-175.70111.7L618L618-K620 PolarHBondContact O-N 2.89Å; L618-K620 VanDerWaalsContact O-N 3.11Å
621G33.9Very low34.9Very low53 Ų53145.8 Ų145.855%0.54674%0.739SS.*  trans-65.6131.8161.300000108.8S619 R623S619-G621 PolarHBondContact O-N 2.67Å; G621-R623 PolarHBondContact O-N 3.42Å
622P32.8Very low34.5Very low123 Ų123140.5 Ų140.580%0.79973%0.732SS**  trans-65.3110.1171.926.5-31.9000108.3K624P622-K624 PolarHBondContact O-N 3.35Å
623R38.2Very low34.2Very low149 Ų149137 Ų13756%0.56273%0.731SS**  trans-57108.3172.3-76.1-175.9171.8158.21.3107.5E220 G621E220-R623 VanDerWaalsContact CD-NH2 3.34Å; E220-R623 IonicContact OE1-NH2 2.59Å; E220-R623 PolarHBondContact OE1-NH2 3.05Å; E220-R623 IonicContact OE2-NH2 3.66Å; E220-R623 PolarHBondContact OE2-NH2 3.01Å; G621-R623 PolarHBondContact O-N 3.42Å
624K32.4Very low34.1Very low193 Ų193138.4 Ų138.484%0.83974%0.739SS**  trans-56.1137.5172.7-71.4-177.2177.8179.90107.7P622 R626P622-K624 PolarHBondContact O-N 3.35Å; K624-R626 PolarHBondContact O-N 3.12Å
625P28.7Very low33.8Very low131 Ų131135.1 Ų135.185%0.85174%0.739SS**  trans-62.1104.4173.826-33000108.7
626R34.5Very low33.6Very low244 Ų244137.7 Ų137.792%0.92176%0.76SS**PPolyproline II helixtrans-67.9134.7166.5-110.5177.1173.4156.9-2.3106.9K624 L628K624-R626 PolarHBondContact O-N 3.12Å; R626-L628 PolarHBondContact O-N 3.44Å
627S29.4Very low32.9Very low112 Ų112138.8 Ų138.878%0.78377%0.768SS**PPolyproline II helixtrans-52.9140.6-175.3-173.50000111.2Y629S627-Y629 PolarHBondContact O-N 3.46Å
628L32.7Very low32.5Very low160 Ų160139 Ų13984%0.83878%0.775SS**PPolyproline II helixtrans-52.1134.2165.7-66.7166.7000109R626 A630R626-L628 PolarHBondContact O-N 3.44Å; L628-A630 PolarHBondContact O-N 2.97Å; L628-A630 VanDerWaalsContact O-N 3.16Å
629Y29.1Very low31.8Very low233 Ų233143.9 Ų143.991%0.91480%0.795SS**  trans-73.6100.4167.4-113.2-92.2000107.9S627 P631S627-Y629 PolarHBondContact O-N 3.46Å; Y629-P631 WeakPolarHBondContact O-CD 3.47Å
630A29.4Very low31.4Very low73 Ų73143.8 Ų143.860%0.60380%0.795SS**  trans-80.6120.5170.500000109.3L628 T632L628-A630 PolarHBondContact O-N 2.97Å; L628-A630 VanDerWaalsContact O-N 3.16Å; A630-T632 VanDerWaalsContact C-N 3.3Å; A630-T632 PolarHBondContact O-N 2.73Å
631P32.1Very low31.2Very low130 Ų130139.8 Ų139.884%0.84479%0.788SS**  trans-81.575.1178.133.3-34.3000110.6Y629 L633Y629-P631 WeakPolarHBondContact O-CD 3.47Å; P631-L633 PolarHBondContact O-N 3.23Å; P631-L633 VanDerWaalsContact O-N 3.11Å
632T30.8Very low30.8Very low112 Ų112143 Ų14369%0.68780%0.801SS**  trans-79.491.8174.9-51.10000110.6A630 C634A630-T632 VanDerWaalsContact C-N 3.3Å; A630-T632 PolarHBondContact O-N 2.73Å; T632-C634 PolarHBondContact O-N 2.85Å
633L30.7Very low30.7Very low171 Ų171145.2 Ų145.290%0.89580%0.804SS**  trans-73.2100.3161.2-86.8164.8000109P631 L635P631-L633 PolarHBondContact O-N 3.23Å; P631-L633 VanDerWaalsContact O-N 3.11Å; L633-L635 PolarHBondContact O-N 2.86Å
634C30.1Very low30.1Very low110 Ų110141.3 Ų141.374%0.74381%0.81SS**PPolyproline II helixtrans-73.9118.3170-64.40000110T632T632-C634 PolarHBondContact O-N 2.85Å
635L31.4Very low29.9Very low173 Ų173139.2 Ų139.291%0.90681%0.808SS**PPolyproline II helixtrans-65.2147.4150.8-75.8165000108.6L633L633-L635 PolarHBondContact O-N 2.86Å
636A29.4Very low29.9Very low96 Ų96138.7 Ų138.779%0.79380%0.803SS**PPolyproline II helixtrans-94139.7173.700000109.9
637D26.9Very low29.6Very low174 Ų174134.2 Ų134.293%0.9380%0.796SS**  trans-140.7163160.5-112-40000108.9
638A30.6Very low29.5Very low86 Ų86133.8 Ų133.871%0.71179%0.793SS**  trans-116.8-177.3-160.500000114.9
639E27.3Very low29.2Very low196 Ų196131.4 Ų131.492%0.91679%0.79SS**  trans83.4172169.9-47.7-155.2147.200117.6
640S25.5Very low29.1Very low114 Ų114125.8 Ų125.880%0.79779%0.785SS**  trans-161.8-170-145.1-132.60000110.4
641P39.3Very low29.8Very low102 Ų102128.4 Ų128.466%0.66280%0.795SS**  cis-137.6-178.5-16.940.9-24000115.1
642C26.4Very low29.6Very low122 Ų122127.4 Ų127.482%0.82479%0.792SS**  trans66.2161.8158.3-61.90000117.8
643I29.3Very low29.6Very low169 Ų169127.9 Ų127.987%0.86780%0.799SS**  cis-128.3166.516.7-69.9172.1000110.8
644G27.3Very low29.5Very low67 Ų67126.1 Ų126.169%0.69180%0.796SS**  trans-76-155.1-175.300000117.8
645D26.8Very low30.4Very low149 Ų149126 Ų12680%0.79779%0.794SS**  cis-165.1158.618.2-148.9-13.9000114.8
646T28.3Very low30.2Very low119 Ų119124.5 Ų124.573%0.7379%0.792SS**  trans61.6155166.727.40000120.1
647L29.6Very low30.1Very low150 Ų150123 Ų12379%0.78579%0.786SS**  cis-152.3157.116.5-117.6177.8000112.2
648S26.6Very low30.1Very low104 Ų104120.5 Ų120.573%0.72778%0.782SS**  trans17.8154.3150.6-78.40000124.5
649S26.2Very low30Very low110 Ų110124.2 Ų124.277%0.76979%0.787SS**  cis-171.1163.5-3.644.60000112.5
650S26.9Very low30.1Very low114 Ų114123.1 Ų123.180%0.79778%0.782SS**  trans-100.3-165.8170.8-33.20000111.1
651P45Very low30.3Very low128 Ų128122.8 Ų122.883%0.83178%0.779SS**  cis-140.7-151.219.244.9-22.3000116.2
652S28.1Very low29.6Very low110 Ų110126 Ų12677%0.76979%0.79SS**  trans-109.2168-161.853.50000116.6
653S29.9Very low29.6Very low121 Ų121125.5 Ų125.585%0.84679%0.788SS**  trans-173.7168.214234.50000114.1
654T28.2Very low29.5Very low135 Ų135122 Ų12283%0.82878%0.779SS**  trans-133.9-172.5-169.540.10000110
655P48.8Very low29.3Very low106 Ų106127.3 Ų127.369%0.68879%0.785SS**  cis-132-148.2-3735.2-13.5000112.4
656T28Very low29.2Very low143 Ų143124.6 Ų124.688%0.87778%0.778SS**  trans71.7148.7163.231.90000118.9
657G26.4Very low29.2Very low64 Ų64124 Ų12466%0.6678%0.778SS**  cis176.7170.7-3.800000113.3
658S27.5Very low28.9Very low122 Ų122124.3 Ų124.385%0.85378%0.775SS**  trans61.8140.5-175.8-74.30000116.9
659M29.2Very low28.8Very low163 Ų163126.1 Ų126.180%0.80377%0.773SS**  cis94142.835.3-87.1-16663.600115.4
660E29.3Very low28.8Very low174 Ų174126.9 Ų126.981%0.81377%0.768SS**  trans67.3159.9177.5-61.5-177.815600116.9
661S30.1Very low28.7Very low107 Ų107127.6 Ų127.675%0.74877%0.768SS**  cis-166.7146.1-45.5-100.50000109.6
662L24.1Very low27.7Very low170 Ų170126.5 Ų126.589%0.8976%0.763SS**  trans-9.7125.4167.8-56.2169.8000119.4
663S26Very low27.6Very low110 Ų110126.5 Ų126.577%0.76976%0.763SS**  trans176.4125.6130.252.50000111
664S26.6Very low27.5Very low97 Ų97129.4 Ų129.468%0.67876%0.761SS**  83.9119.1102.2-640000114.5
665H23.7Very low27.4Very low178 Ų178128.8 Ų128.882%0.82476%0.756SS**  57.411881.6-63.8-64000112.1
666S25.6Very low26.2Very low92 Ų92128.3 Ų128.364%0.64376%0.761SS**  cis-160.9-177.57.1-73.30000110.1
667S26.7Very low26.1Very low105 Ų105126.3 Ų126.373%0.73475%0.753SS**  trans46139.5138.461.80000120.9
668E24.1Very low26.1Very low157 Ų157128.9 Ų128.973%0.73476%0.761SS**  cis-173.5-176.64-126.8-176.8-151.700109.5
669Q25.3Very low26Very low143 Ų143126.7 Ų126.767%0.66876%0.758SS**  trans69.9124.5143.3-87.5-179.766.800123.2
670N24.6Very low25.9Very low126 Ų126124.4 Ų124.467%0.67477%0.765SS**  107.7148126.3-70.7-21.1000122.6
671T24.8Very low25.7Very low129 Ų129120 Ų12079%0.79177%0.767SS**  trans63.3118.3176.761.20000116.3
672S23.8Very low25.4Very low104 Ų104126.7 Ų126.773%0.72778%0.776SS**  cis108.1147.81387.20000115.6
673S27.9Very low25.4Very low111 Ų111124.2 Ų124.278%0.77677%0.771SS**  trans72.9146.6-172.187.90000115.1
674K27.1Very low25.3Very low182 Ų182126 Ų12679%0.79177%0.771SS**  cis-155.4136.60.2-139.3172.3-177177.90113.3
675T25.4Very low25.1Very low121 Ų121126.4 Ų126.474%0.74277%0.774SS**  trans51.9128.314746.30000124
676A24.8Very low25.1Very low96 Ų96129.1 Ų129.179%0.79378%0.777SS**  trans79.1143.8135.200000119.5
677S26Very low25.2Very low101 Ų101128.9 Ų128.971%0.70678%0.776SS**  cis-163.9157.6-8.3440000111.6
678S25.8Very low25.1Very low118 Ų118130.1 Ų130.183%0.82577%0.774SS**  trans38.5134.6151.359.40000121
679G26.2Very low25.2Very low76 Ų76128.7 Ų128.778%0.78477%0.77SS**  cis174.4-167.410.400000112.8
680A25.4Very low25.3Very low116 Ų116129.6 Ų129.696%0.95978%0.779SS**  trans-70.4155.1-168.300000116
681G25.8Very low25.4Very low82 Ų82132.3 Ų132.385%0.84578%0.78SS**  trans-169.1113.4169.500000113.9
682R24.7Very low25.6Very low247 Ų247134.7 Ų134.793%0.93278%0.775SS**  trans-93132.5-179.7-77.8175167.9174.9-4.5112.7
683C22.2Very low25.7Very low117 Ų117134.5 Ų134.579%0.79177%0.769SS**  trans64.4165.6132.2-149.90000121.4
684L24.6Very low26.9Very low148 Ų148135 Ų13578%0.77577%0.769SS**  trans82.796.8163.5-59.1175.5000121.1
685S23Very low27.1Very low106 Ų106130.6 Ų130.674%0.74176%0.762SS**  60.9112.3110.9-57.60000123.4
686R24.1Very low27.4Very low234 Ų234132.8 Ų132.888%0.88376%0.763SS**  93.9120.5116.2-164.7179.775.3171.84.5121.1
687S26Very low27.5Very low88 Ų88135 Ų13562%0.61576%0.761SS**  trans97.6139.8139.5-96.20000123.6
688D25.6Very low27.8Very low130 Ų130134.3 Ų134.370%0.69576%0.756SS**  trans74.5151.6136-67.924.6000119.4
689L27Very low28Very low127 Ų127136.6 Ų136.667%0.66576%0.759SS**  cis-162.5160.4-2-123.1169.3000111.5R691L689-R691 HydrophobicContact CD2-CG 4.37Å
690L26.6Very low27.9Very low162 Ų162136.1 Ų136.185%0.84875%0.754SS**  trans163121.3143.8-88.5165.1000108.2
691R27.2Very low29.1Very low184 Ų184136.3 Ų136.369%0.69475%0.746SS**  cis84.713443.9-84.3-157.9171.2-1662.7115.2L689L689-R691 HydrophobicContact CD2-CG 4.37Å
692R28.1Very low29.3Very low179 Ų179143.7 Ų143.768%0.67575%0.748SS**  cis-173.9146.4-8.3-149.9-165.5-177.8-167.31.3114.9
693T26.6Very low29.5Very low100 Ų100137.8 Ų137.861%0.61375%0.745SS**  trans63.5163.7146.735.20000120
694P52.2Low29.9Very low120 Ų120137.2 Ų137.278%0.77975%0.748SS**  cis-118.2-178.514.1169.5000115.6
695S32.6Very low29.9Very low90 Ų90134.9 Ų134.963%0.62975%0.751SS**  cis-173.3-169.7-34.663.80000110.1
696Q30.4Very low30.1Very low167 Ų167135.6 Ų135.678%0.7875%0.754SS**  trans75.3152.4172-53.5-159.335.800117.5
697L27.6Very low30.3Very low144 Ų144131 Ų13175%0.75475%0.752SS**  cis-138.2-96.9-17.8-124.7-177.1000115.1
698S32.5Very low30.3Very low85 Ų85132.4 Ų132.459%0.59476%0.761SS**  trans-167.9159.1-153.961.40000113.8
699N29.5Very low30.5Very low166 Ų166131.6 Ų131.689%0.88877%0.766SS**  cis-156.51704.9-121.9-15.3000112.4
700G24.5Very low31.3Very low66 Ų66130.8 Ų130.868%0.6877%0.769SS**  trans-95.1-150.6178.500000115.4
701P50.4Low31.3Very low121 Ų121131.9 Ų131.979%0.78677%0.769SS**  cis-146.5171.524.844.1-24.4000120
702R30.1Very low31.4Very low236 Ų236128.1 Ų128.189%0.89177%0.771SS**  trans18.3161135.2-52.4-179.7177.8175.4-1121.6
703S28Very low31.6Very low124 Ų124124.4 Ų124.487%0.86777%0.773SS**  cis-161.8-178.714.43.50000112.2
704A31Very low31.8Very low104 Ų104124.9 Ų124.986%0.8678%0.78SS**  trans-115158.4-17800000115.5
705A25.5Very low30.8Very low100 Ų100128.8 Ų128.883%0.82678%0.779SS**  trans-162.4177.7165.800000110.9
706C25.8Very low30.9Very low121 Ų121131.3 Ų131.382%0.81878%0.781SS**  trans-140.5159.8-166.7-54.80000116.5
707V28.7Very low30.7Very low138 Ų138132.8 Ų132.884%0.83679%0.788SS**  trans78.7137.7158.2-155.30000120
708S26.3Very low30.7Very low116 Ų116129.6 Ų129.681%0.81179%0.79SS**  trans110.7146.5151.187.50000120.2
709S29.1Very low30.5Very low114 Ų114129 Ų12980%0.79780%0.797SS**  trans-119.2179.5177.5-31.50000108.4
710P45.6Very low30.8Very low110 Ų110132.7 Ų132.771%0.71480%0.799SS**  cis-148-162.130.243.3-20.2000116.9
711E25.7Very low31.2Very low185 Ų185134.8 Ų134.886%0.86480%0.799SS**  trans65.2165.4161.7-68.9-178.2161.600118.9
712S28.8Very low30.2Very low105 Ų105136.5 Ų136.573%0.73480%0.801SS**  cis-166.2175.3-41.785.60000107.8
713S32.4Very low30Very low101 Ų101128.5 Ų128.571%0.70679%0.792SS**  cis-163.1-140.8-6.753.50000109.4
714S31Very low29.9Very low109 Ų109131.9 Ų131.976%0.76279%0.794SS**  trans7414317476.50000118.4
715R32.1Very low29.8Very low203 Ų203131.6 Ų131.677%0.76679%0.786SS**  cis-171.6168.1-3.6-112.7-171.4141-159.7-17.6108.4
716E33.7Very low29.9Very low143 Ų143135.3 Ų135.367%0.66879%0.786SS**  cis-162.3-156.1-22.8-145.3163.575.200110.3
717E27Very low29.9Very low197 Ų197136.8 Ų136.892%0.92179%0.786SS**  trans66.4136-179.8-58.7-155.7141.200118.3
718G27.3Very low29.8Very low78 Ų78134.2 Ų134.280%0.80477%0.771SS**  cis-163176.4-2.100000113.4
719G29Very low29.8Very low72 Ų72137.3 Ų137.374%0.74277%0.77SS**  trans-73.2165.7-173.600000116.5
720R34.6Very low29.8Very low244 Ų244136.1 Ų136.192%0.92176%0.762SS**  cis67.1132.346.5-67.1-166.3-177.9-173.52113.6
721T33.3Very low29.1Very low110 Ų110138.5 Ų138.568%0.67577%0.767SS**  cis-160.4179.64.312.90000112.1
722D28.8Very low29Very low156 Ų156135.1 Ų135.183%0.83476%0.764SS**  trans88.7135.5153.4-54.3-44.4000122.9
723G27.3Very low29.1Very low68 Ų68133.9 Ų133.970%0.70176%0.755SS**  97.4100.1126.400000122
724E25.7Very low28.8Very low196 Ų196136.1 Ų136.192%0.91677%0.765SS**  trans56.4167.5143.7-65.2-176.1123.700119.6
725S28.3Very low28.7Very low97 Ų97137.1 Ų137.168%0.67876%0.761SS**  cis-154.2160.7-39.353.80000109.7
726E27.3Very low28.4Very low179 Ų179134.2 Ų134.284%0.83677%0.766SS**  trans27.2128.9164.1-56.5-167.2126.900122.3
727D26.4Very low28Very low151 Ų151133.5 Ų133.581%0.80777%0.772SS**  -152.4162103-142.5-25.3000112.1
728T27Very low29.1Very low85 Ų85129.4 Ų129.452%0.52176%0.762SS.*  trans-121169.6-172.5-15.30000110.5
729F25.3Very low29.1Very low180 Ų180136.1 Ų136.179%0.78976%0.763SS**  -158.514355.1-77.7-94.1000107.9
730S29Very low28.9Very low90 Ų90139.3 Ų139.363%0.62976%0.763SS**  cis72.9117.449.9-66.50000115.3
731L31.2Very low28.4Very low160 Ų160132.9 Ų132.984%0.83876%0.755SS**  trans161.9157.3136.7-86165.6000109.9
732S24.4Very low29.1Very low114 Ų114133.3 Ų133.380%0.79776%0.76SS**  cis-124.2138.919.758.80000115.8
733S30.3Very low28.9Very low78 Ų78130.3 Ų130.355%0.54576%0.756SS.*  trans-95.1176.715958.20000111.3
734V25.7Very low30.2Very low149 Ų149132.3 Ų132.390%0.90376%0.757SS**  trans-124.9134.6158.5178.70000108.1
735N28.1Very low30.3Very low130 Ų130132 Ų13270%0.69575%0.753SS**  trans-97.5150.9-170.8-70.3-25.3000113.1
736T26Very low30.3Very low141 Ų141137.4 Ų137.487%0.86576%0.764SS**  -173.1160.1112.621.40000112.9
737T25.1Very low30.2Very low128 Ų128133.1 Ų133.179%0.78576%0.76SS**  trans-140.9-171.1-176.164.80000108.3
738P51.7Low31.3Very low112 Ų112131.3 Ų131.373%0.72776%0.756SS**  cis-135.2-173.1-13.331.1-8.6000115
739R26.1Very low31.4Very low218 Ų218135.6 Ų135.682%0.82377%0.77SS**  113.3121.2128.7-157.9170.7-163.8-128.52.9121.6
740L25.8Very low31.3Very low140 Ų140132.3 Ų132.373%0.73377%0.768SS**  trans77153.4152.5-78.6169.6000122.9
741S24.5Very low31.1Very low108 Ų108138.3 Ų138.376%0.75578%0.777SS**  trans-114-165-173-33.50000110.5
742P46.7Very low30.9Very low120 Ų120134.4 Ų134.478%0.77976%0.762SS**  cis-138.9-165.5-10.840.2-20000115.1
743A24Very low30.9Very low92 Ų92135.4 Ų135.476%0.7676%0.759SS**  trans81.1165.9148.200000120.4
744P55.5Low31.1Very low110 Ų110139 Ų13971%0.71477%0.771SS**  trans-138.4-178.9-145.746.7-31.4000119.7
745K28.7Very low31Very low190 Ų190141.7 Ų141.783%0.82677%0.771SS**  trans88.6143.1154.8-69.8176.2178.7172.30121.5
746K26.7Very low32.2Very low210 Ų210140.8 Ų140.891%0.91377%0.772SS**  trans83.2151.6155.1-76.6-179.8175.9-175.80120.9
747A26.4Very low33.2Very low90 Ų90139.4 Ų139.474%0.74477%0.766SS**  trans-107.9178.1170.800000110
748P48.7Very low33.5Very low112 Ų112141.1 Ų141.173%0.72777%0.769SS**  -158.3173.773.541.2-19000119.8
749H29Very low33Very low176 Ų176140.9 Ų140.982%0.81577%0.767SS**  trans16149.7149.9-57.4-61.9000127.3
750C24.3Very low32.9Very low111 Ų111136 Ų13675%0.7577%0.767SS**  trans74.8117.3148.4-76.40000119.4
751R25Very low33Very low216 Ų216140.7 Ų140.782%0.81578%0.775SS**  92.814675.3-110.2-173.1169.6-85.210.3112.6
752S26.3Very low33.1Very low77 Ų77140.6 Ų140.654%0.53877%0.774SS.*  cis-131.2-1321.3-57.90000109.9
753D25.2Very low32.1Very low136 Ų136141.2 Ų141.273%0.72778%0.775SS**  cis-155.9-146.5-5.6-144.5-89.8000113.3
754L33.9Very low32.7Very low152 Ų152142.3 Ų142.380%0.79678%0.778SS**  trans-116.9133.4-160.6-66.5163.2000118.4
755K24.2Very low31.5Very low206 Ų206143.3 Ų143.390%0.89678%0.784SS**  179.6168.4121-100.8-160.2172.4-1790114.3
756P53.4Low31.4Very low112 Ų112139.2 Ų139.273%0.72778%0.779SS**  trans-104.5-170.8-161.245.4-40.9000113.7
757P46.5Very low31.5Very low112 Ų112136.2 Ų136.273%0.72777%0.773SS**  cis-138.6173.78.143.7-25.3000119.4
758L30.8Very low31.5Very low164 Ų164141.2 Ų141.286%0.85978%0.778SS**  trans26155.7148-72.7172.2000123
759P41.1Very low30.3Very low106 Ų106140.3 Ų140.369%0.68877%0.774SS**  cis-134-168.83.939.9-20.6000116
760S25Very low30.1Very low116 Ų116139.4 Ų139.481%0.81177%0.774SS**  trans80.3114.2168.376.60000119
761R27.2Very low30Very low238 Ų238141.6 Ų141.690%0.89878%0.778SS**  trans-170.1-180169-136.3-175.1179-161.8-0.3112.6
762S26.3Very low30Very low106 Ų106134.5 Ų134.574%0.74177%0.771SS**  trans81.7124.8-174.574.90000113.5
763V26.8Very low29.9Very low133 Ų133135.8 Ų135.881%0.80678%0.781SS**  cis66.11133.3-170.70000116.2
764S34.8Very low29.9Very low116 Ų116136.7 Ų136.781%0.81179%0.785SS**  trans-65.9144.3-179.6-350000114.4
765P32.2Very low29.6Very low130 Ų130133.3 Ų133.384%0.84479%0.787SS**  trans-116.4-178.2154.237.9-27.8000111.9
766S26.5Very low29.8Very low105 Ų105131.9 Ų131.973%0.73478%0.783SS**  trans-124.2158.7-169.5-1740000113
767L28.5Very low28.5Very low147 Ų147137 Ų13777%0.7779%0.788SS**  trans73.7147.8157-83.8162.7000120.6
768K25.6Very low27.5Very low195 Ų195136.4 Ų136.485%0.84879%0.787SS**  trans76143.6164.1-69.8169.1-173.3179.20115.3
769S24.1Very low27.2Very low92 Ų92134 Ų13464%0.64378%0.782SS**  cis-161.8167.56.4570000113.7
770L23.3Very low26.6Very low157 Ų157135.1 Ų135.182%0.82279%0.793SS**  trans69.8165.3159.5-59.2166.7000117.2
771L23.2Very low26.6Very low158 Ų158133.1 Ų133.183%0.82779%0.791SS**  cis-171.8135.4-42.5-174.8134.4000109.5
772G24Very low26.7Very low66 Ų66127 Ų12768%0.6879%0.785SS**  trans104.3143.2152.100000119.7
773S25.3Very low26.7Very low105 Ų105128.5 Ų128.573%0.73479%0.789SS**  trans53.7119.1152.8-76.80000124.3
774D25.9Very low26.8Very low155 Ų155130 Ų13083%0.82979%0.787SS**  54.2121.8116.5-49.8-55.7000121.4
775G26.1Very low26.4Very low80 Ų80129.7 Ų129.783%0.82579%0.785SS**  trans-172.8115.4164.500000112.5
776Q28.9Very low26Very low177 Ų177131.2 Ų131.283%0.82779%0.785SS**  trans-88.5165.7171-70.3-172.2-17.800111.7
777R26.7Very low26Very low218 Ų218130.5 Ų130.582%0.82378%0.78SS**  trans74.6103.5153.2-80.3-179.5-179.8179.50.2120.1
778S25.8Very low26Very low100 Ų100129.4 Ų129.470%0.69978%0.78SS**  71.2150.6112.572.30000123
779C24.2Very low26Very low114 Ų114128 Ų12877%0.7778%0.78SS**  trans83.5100.8154.3-63.40000119.9
780S27.8Very low26Very low129 Ų129131.7 Ų131.790%0.90279%0.788SS**  26.5128.6124.9-48.70000122.1
781G25.2Very low26.2Very low75 Ų75129.7 Ų129.777%0.77378%0.782SS**  trans163.9101.9161.900000109.2
782S29.4Very low26.3Very low110 Ų110129.6 Ų129.677%0.76978%0.775SS**  cis80.5106.243-163.40000114.4
783V26.5Very low26.4Very low136 Ų136133.4 Ų133.482%0.82478%0.775SS**  trans-143.895.2161.2-171.60000105.2
784Q29Very low26.4Very low164 Ų164133.5 Ų133.577%0.76678%0.776SS**  66108.279.9-71.4-164.8-15.200115.7
785S25.3Very low26.4Very low111 Ų111133.9 Ų133.978%0.77678%0.777SS**  -158115.8122.1-81.90000111.4
786L25.3Very low26.5Very low162 Ų162139.4 Ų139.485%0.84878%0.778SS**  41.7137.9121.4-57.2168.5000119.7
787S26.9Very low27.2Very low89 Ų89137.1 Ų137.162%0.62278%0.779SS**  cis-173.3143.6-4.346.80000113.1
788T27.9Very low27Very low124 Ų124129.6 Ų129.676%0.76177%0.769SS**  trans44.6129.9144.859.40000120.4
789L25.2Very low27Very low165 Ų165132.8 Ų132.886%0.86478%0.779SS**  -154.9173.672.8-137.696.6000113.6
790E25.3Very low27.3Very low171 Ų171136.2 Ų136.280%0.79978%0.783SS**  trans-115.1-178.5-174.6-61.8-171.511000114.7
791T25.9Very low28.2Very low114 Ų114135.1 Ų135.170%0.69977%0.773SS**  trans95.5117.3141.427.40000123.6
792K26.7Very low28.3Very low157 Ų157138.3 Ų138.368%0.68378%0.777SS**  86.1128.5125.7-95.7174.3162.1-1100124.5
793E25.5Very low28.2Very low145 Ų145140.7 Ų140.768%0.67878%0.78SS**  trans74.7106.4130-81.6163.817800125
794S25.2Very low29.1Very low107 Ų107139.3 Ų139.375%0.74878%0.775SS**  93.7160.3110.8-149.80000122.5
795L26.3Very low29.9Very low164 Ų164135.9 Ų135.986%0.85977%0.766SS**  trans82.5146.6164.8-57.5175.7000121.7
796K26.6Very low30Very low195 Ų195139.1 Ų139.185%0.84877%0.766SS**  trans-125.9-168.6164.8-50.2179.4176.6179.90106.6
797P43.7Very low30.1Very low129 Ų129139 Ų13984%0.83876%0.762SS**  cis-133-166-13.241.6-22.9000113.9
798G24.2Very low30.1Very low61 Ų61140.7 Ų140.763%0.62977%0.768SS**  trans110.5142.6166.300000114.5
799D25.3Very low30Very low167 Ų167142.9 Ų142.989%0.89377%0.773SS**  cis-150.1165.6-3.4-89.6-37.1000112.9
800H30Very low30.1Very low185 Ų185146.1 Ų146.186%0.85677%0.774SS**  trans-123.8167171.2-90.7-39.9000107.9
801P47.4Very low30.2Very low107 Ų107150.1 Ų150.170%0.69578%0.782SS**  cis-152.3179.935.443.8-23.2000118.3
802T26.8Very low30.3Very low141 Ų141155 Ų15587%0.86579%0.787SS**  -168.2153.3129.512.50000112.2
803L27.6Very low30.3Very low160 Ų160152.1 Ų152.184%0.83879%0.793SS**  trans-158.7177.8-169.8-77.3173.8000108.7
804P45.1Very low30.4Very low108 Ų108152 Ų15270%0.70180%0.797SS**  -130.1-123.9-51.839.2-20.3000109
805P45.2Very low30.5Very low91 Ų91152 Ų15259%0.59180%0.803SS**  cis-131.1177.7-48.440.2-24.8000116
806K27.9Very low30.5Very low179 Ų179149.9 Ų149.978%0.77880%0.802SS**  trans68.6164.1150.7-74.1162.7-1751760117.8
807Q27.3Very low30.6Very low160 Ų160148 Ų14875%0.74881%0.806SS**  cis-154.1140-0.3-133.1162.8-12.700115
808V26.8Very low29.8Very low125 Ų125148.6 Ų148.676%0.75880%0.803SS**  trans10138.7137.4-174.20000121.6
809I26.2Very low30Very low170 Ų170153 Ų15387%0.87281%0.812SS**  -170.5153128.6-101.9161.7000114.5
810R28.1Very low30Very low233 Ų233148 Ų14888%0.87980%0.799SS**  trans-83.5162177.2-69.1170.6163.9168-6.7113.4
811R26.1Very low29.9Very low254 Ų254150.5 Ų150.596%0.95880%0.803SS**  -153.7156.8128.9-111.9170.9-164.8-153.82.1113.1
812R28.8Very low29Very low218 Ų218154.8 Ų154.882%0.82381%0.814SS**  trans-136.2142.3172.6-178.2-153.1-76.2-173.5-4.7106.4
813A27.3Very low29.3Very low96 Ų96159.1 Ų159.179%0.79381%0.814SS**  trans-152.5149.6163.600000109
814D26.3Very low29.6Very low143 Ų143157.7 Ų157.777%0.76582%0.815SS**  trans-106.2153.9-167.3-49.5-88.2000112.2
815A27.3Very low28.9Very low107 Ų107156 Ų15688%0.88482%0.817SS**  trans-152.1120.9162.800000109.9
816S27.1Very low28.4Very low119 Ų119155.3 Ų155.383%0.83281%0.814SS**  trans-118.1124.8179.858.60000111.3
817V28.1Very low29Very low155 Ų155152.2 Ų152.294%0.93981%0.81SS**  trans-133.9143.6161-1760000107.5
818N28Very low29.6Very low142 Ų142149.9 Ų149.976%0.75981%0.806SS**  trans-111.2178.2-167.4-162.410.3000112.1
819N27.3Very low30Very low153 Ų153146.6 Ų146.682%0.81879%0.792SS**  trans81.8136.7-179.6-48.1-20.2000113.9
820G26.2Very low30.4Very low61 Ų61141.7 Ų141.763%0.62978%0.777SS**  cis-179.4178.5-3.600000112.3
821Y26.7Very low30.9Very low238 Ų238139.5 Ų139.593%0.93377%0.769SS**  trans67.787.1178.1-58.2-76.8000117.3
822Q28.8Very low31.2Very low197 Ų197130.6 Ų130.692%0.92175%0.75SS**PPolyproline II helixtrans-65.9140.3155.4-67.5165.6-85.300110.2
823R32.7Very low31.4Very low232 Ų232126.5 Ų126.588%0.87574%0.743SS**PPolyproline II helixtrans-88.2148.7161.6-74.7-179.2173.2168.3-2.5109.9G825R823-G825 PolarHBondContact O-N 2.81Å
824P33.7Very low31.8Very low131 Ų131128.3 Ų128.385%0.85174%0.739SS**PPolyproline II helixtrans-57.6125.1168.2-22.733.9000110.8
825G30.7Very low32.2Very low72 Ų72130.5 Ų130.574%0.74274%0.742SS**PPolyproline II helixtrans-71134.2176.400000111.1R823 V827R823-G825 PolarHBondContact O-N 2.81Å; G825-V827 PolarHBondContact O-N 3.04Å
826S35.9Very low32.5Very low76 Ų76133.9 Ų133.953%0.53174%0.739SS.*PPolyproline II helixtrans-60.7131176.8175.50000111.3V828 A829S826-V828 PolarHBondContact O-N 3.4Å; S826-V828 VanDerWaalsContact O-N 3.08Å; S826-V828 PolarHBondContact OG-N 3.34Å; S826-A829 WeakPolarHBondContact O-CB 3.5Å; S826-A829 PolarHBondContact O-N 3.06Å
827V39.6Very low32.4Very low114 Ų114137.1 Ų137.169%0.69174%0.739SS**Hα-helixtrans-58.8-21.9175.9-177.70000111.9G825G825-V827 PolarHBondContact O-N 3.04Å
828V39.4Very low32.5Very low111 Ų111135.8 Ų135.867%0.67373%0.731SS**Hα-helixtrans-68.2-40.3174-173.10000111.5S826 A830 R831 A832S826-V828 PolarHBondContact O-N 3.4Å; S826-V828 VanDerWaalsContact O-N 3.08Å; S826-V828 PolarHBondContact OG-N 3.34Å; V828-A830 VanDerWaalsContact C-N 3.31Å; V828-A830 PolarHBondContact O-N 2.93Å; V828-R831 PolarHBondContact O-N 3.38Å; V828-R831 VanDerWaalsContact O-N 3.15Å; V828-A832 PolarHBondContact O-N 3.48Å; V828-A832 VanDerWaalsContact O-N 3.1Å
829A36.6Very low32.6Very low56 Ų56134.3 Ų134.346%0.46373%0.729SS.*Hα-helixtrans-66.1-34.4178.600000112S826 R831 A832 L833S826-A829 WeakPolarHBondContact O-CB 3.5Å; S826-A829 PolarHBondContact O-N 3.06Å; A829-R831 PolarHBondContact O-N 3.09Å; A829-A832 PolarHBondContact O-N 2.91Å; A829-L833 PolarHBondContact O-N 3.01Å
830A33.9Very low33Very low68 Ų68131.9 Ų131.956%0.56272%0.724SS**Hα-helixtrans-66.3-20175.400000113.8V828V828-A830 VanDerWaalsContact C-N 3.31Å; V828-A830 PolarHBondContact O-N 2.93Å
831R37.4Very low33.8Very low187 Ų187134.8 Ų134.871%0.70674%0.735SS**Hα-helixtrans-96.5-26.7174.4-80.9-178.7165.3163-4.3113.9V828 A829 L833 L834V828-R831 PolarHBondContact O-N 3.38Å; V828-R831 VanDerWaalsContact O-N 3.15Å; A829-R831 PolarHBondContact O-N 3.09Å; R831-L833 VanDerWaalsContact C-N 3.27Å; R831-L833 PolarHBondContact O-N 3.32Å; R831-L834 PolarHBondContact O-N 3.18Å
832A34.4Very low34.2Very low67 Ų67131.7 Ų131.755%0.55473%0.729SS**Hα-helixtrans-61.7-36.4171.900000112.3V828 A829 L834 F835V828-A832 PolarHBondContact O-N 3.48Å; V828-A832 VanDerWaalsContact O-N 3.1Å; A829-A832 PolarHBondContact O-N 2.91Å; A832-L834 PolarHBondContact O-N 2.93Å; A832-F835 PolarHBondContact O-N 3.17Å; A832-F835 VanDerWaalsContact O-N 3.14Å
833L32.7Very low34.6Very low132 Ų132127.5 Ų127.569%0.69172%0.721SS**THydrogen-bonded Turntrans-67.65.7177.8-70.8169.4000115.4A829 R831A829-L833 PolarHBondContact O-N 3.01Å; R831-L833 VanDerWaalsContact C-N 3.27Å; R831-L833 PolarHBondContact O-N 3.32Å
834L34.1Very low34.7Very low133 Ų133122.3 Ų122.370%0.69672%0.715SS**THydrogen-bonded Turntrans-92.8-12.9170.5-71.7169000113.7R831 A832R831-L834 PolarHBondContact O-N 3.18Å; A832-L834 PolarHBondContact O-N 2.93Å
835F35.7Very low35.4Very low190 Ų190120.2 Ų120.283%0.83370%0.702SS**THydrogen-bonded Turntrans-111.7-10.5-175.7-77.1-79.4000115.5A832A832-F835 PolarHBondContact O-N 3.17Å; A832-F835 VanDerWaalsContact O-N 3.14Å
836E33.4Very low36.7Very low177 Ų177124.6 Ų124.683%0.82771%0.706SS**  trans-11795.3165.6-73.7-165.5130.500110.5
837K24.3Very low38Very low188 Ų188121.6 Ų121.682%0.81769%0.688SS**  trans-129.779172.4-146.4-179.8-168.9-177.50111.1P839K837-P839 WeakPolarHBondContact O-CD 3.41Å
838T30.5Very low40.1Very low127 Ų127123.7 Ų123.778%0.77968%0.683SS**  trans-59.8124.4164.3-41.60000108.6S840T838-S840 PolarHBondContact O-N 3.49Å
839P31.3Very low42.6Very low111 Ų111121.7 Ų121.772%0.72167%0.668SS**  trans-74.795.9-177.128.7-33.7000110.8K837 S841K837-P839 WeakPolarHBondContact O-CD 3.41Å; P839-S841 PolarHBondContact O-N 3.39Å
840S35.6Very low45.2Very low102 Ų102119 Ų11971%0.71365%0.646SS**  trans-73.7113169.840.20000110.8T838 Q842T838-S840 PolarHBondContact O-N 3.49Å; S840-Q842 PolarHBondContact O-N 2.91Å
841S41.9Very low48.1Very low121 Ų121120.3 Ų120.385%0.84664%0.64SS**SBendtrans45.558.7166.562.60000116P839P839-S841 PolarHBondContact O-N 3.39Å
842Q34.7Very low50.8Low173 Ų173111.6 Ų111.681%0.80861%0.607SS**PPolyproline II helixtrans-95.5156145.9-69.9-171.5-24.300108.8S840 V844S840-Q842 PolarHBondContact O-N 2.91Å; Q842-V844 PolarHBondContact O-N 3.26Å
843S37.3Very low53.4Low109 Ų109112.5 Ų112.576%0.76260%0.601SS**PPolyproline II helixtrans-51.6137-176.749.30000111.4P845S843-P845 WeakPolarHBondContact O-CD 3.49Å
844V36.5Very low56Low124 Ų124111.7 Ų111.775%0.75259%0.59SS**PPolyproline II helixtrans-46.9117172.6178.10000108Q842 I846Q842-V844 PolarHBondContact O-N 3.26Å; V844-I846 PolarHBondContact O-N 3.38Å; V844-I846 VanDerWaalsContact O-N 3.14Å
845P47Very low58.8Low87 Ų87109.1 Ų109.157%0.56558%0.583SS**PPolyproline II helixtrans-62.3122.6176.126-32.2000106.5S843 G847 Y876S843-P845 WeakPolarHBondContact O-CD 3.49Å; P845-G847 VanDerWaalsContact C-N 3.28Å; P845-G847 PolarHBondContact O-N 3.03Å; P845-Y876 HydrophobicContact CB-CE1 4.37Å; P845-Y876 HydrophobicContact CG-CE1 4.12Å
846I58.8Low61.4Low163 Ų163101 Ų10184%0.83655%0.549SS*.  trans-66.297.4175.4-59.4174.9000105.9V844 R848V844-I846 PolarHBondContact O-N 3.38Å; V844-I846 VanDerWaalsContact O-N 3.14Å; I846-R848 PolarHBondContact O-N 3.17Å
847G62.8Low64.2Low14 Ų14100.8 Ų100.814%0.14455%0.548CS..PPolyproline II helixtrans-56127.5176.100000108.4P845 Y876P845-G847 VanDerWaalsContact C-N 3.28Å; P845-G847 PolarHBondContact O-N 3.03Å; G847-Y876 VanDerWaalsContact CA-CE1 3.4Å; G847-Y876 WeakPolarHBondContact CA-OH 3.44Å
848R83.7Confident67.2Low157 Ų15793.4 Ų93.459%0.59252%0.523SS*.EExtended strand (participates in β ladder)trans-70.3147.3-176.3-64-179.7-177.7169.20.7108.8I846 V875 Y902I846-R848 PolarHBondContact O-N 3.17Å; R848-V875 VanDerWaalsContact O-CB 3.24Å; R848-V875 WeakPolarHBondContact O-CB 3.02Å; R848-V875 VanDerWaalsContact O-CG2 3.28Å; R848-V875 WeakPolarHBondContact O-CG2 3.29Å; R848-V875 PolarHBondContact O-N 2.73Å; R848-Y902 HydrophobicContact CB-CD1 3.54Å; R848-Y902 HydrophobicContact CB-CE1 3.84Å; R848-Y902 HydrophobicContact CG-CD1 4.23Å; R848-Y902 HydrophobicContact CG-CE1 4.43Å
849D91.1Very high69.6Low69 Ų6995.6 Ų95.637%0.36952%0.524SS..EExtended strand (participates in β ladder)trans-81.2150.5163.2-71.5-22.4000108.8H871 F872 S873 L903D849-H871 IonicContact OD2-CE1 2.69Å; D849-F872 WeakPolarHBondContact CA-O 3.47Å; D849-S873 VanDerWaalsContact OD1-CA 3.28Å; D849-S873 WeakPolarHBondContact OD1-CA 3.34Å; D849-S873 WeakPolarHBondContact OD1-CB 3.24Å; D849-L903 HydrophobicContact CB-CB 4.37Å; D849-L903 HydrophobicContact CB-CD1 4.27Å; D849-L903 PolarHBondContact O-N 2.64Å
850A92.6Very high72.1Confident0 Ų095.3 Ų95.30%051%0.513CS..EExtended strand (participates in β ladder)trans-146.7162.5178.300000110.8F872 V875 V900 V901 Y902A850-F872 HydrophobicContact CB-CB 4.4Å; A850-F872 HydrophobicContact CB-CD2 4.43Å; A850-F872 PolarHBondContact N-O 3.45Å; A850-F872 VanDerWaalsContact N-O 3.09Å; A850-F872 PolarHBondContact O-N 2.93Å; A850-V875 HydrophobicContact CB-CG2 3.89Å; A850-V900 HydrophobicContact CB-CB 4.22Å; A850-V900 HydrophobicContact CB-CG2 4.34Å; A850-V901 CarbonylContact C-O 3.19Å; A850-V901 VanDerWaalsContact CA-O 3.23Å; A850-V901 WeakPolarHBondContact CA-O 3.12Å; A850-V901 WeakPolarHBondContact CB-O 3.39Å; A850-Y902 HydrophobicContact CB-CD1 4.21Å
851K94.1Very high74.3Confident96 Ų9696.9 Ų96.942%0.41752%0.524SS..EExtended strand (participates in β ladder)trans-126.8135-178.7-170.9169.3-177.1172.70112M853 G869 A870 V900 V901 L903K851-M853 PolarHBondContact O-N 2.84Å; K851-G869 WeakPolarHBondContact CE-O 3.27Å; K851-A870 CarbonylContact C-O 3.55Å; K851-A870 WeakPolarHBondContact CA-O 3.33Å; K851-V900 CarbonylContact O-C 3.57Å; K851-V900 VanDerWaalsContact O-CA 3.25Å; K851-V900 WeakPolarHBondContact O-CA 3.44Å; K851-V901 HydrophobicContact CB-CG1 4.33Å; K851-V901 PolarHBondContact N-O 2.91Å; K851-V901 PolarHBondContact O-N 3.42Å; K851-L903 HydrophobicContact CB-CD1 4.18Å; K851-L903 HydrophobicContact CB-CD2 4Å; K851-L903 HydrophobicContact CB-CG 4.17Å; K851-L903 HydrophobicContact CD-CD2 4.47Å
852A94.8Very high76.5Confident3 Ų394.8 Ų94.83%0.02550%0.503CS..EExtended strand (participates in β ladder)trans-63.5116.5175.200000111.3F866 P867 G869 A870 F872A852-F866 HydrophobicContact CB-CD2 3.6Å; A852-F866 HydrophobicContact CB-CE2 3.74Å; A852-P867 WeakPolarHBondContact CB-O 3.36Å; A852-G869 WeakPolarHBondContact O-CA 3.46Å; A852-G869 PolarHBondContact O-N 2.78Å; A852-A870 HydrophobicContact CB-CB 3.86Å; A852-A870 PolarHBondContact N-O 3.3Å; A852-F872 HydrophobicContact CB-CE2 3.77Å; A852-F872 HydrophobicContact CB-CZ 4.2Å
853M89.5Confident79.2Confident87 Ų8787.9 Ų87.943%0.42947%0.471SS..SBendtrans-80.1-22.3172.6-68-61.9-7000112.1K851 Q868 Y899 V901K851-M853 PolarHBondContact O-N 2.84Å; M853-Q868 PolarHBondContact O-NE2 3.02Å; M853-Y899 PolarHBondContact N-O 3.09Å; M853-V901 HydrophobicContact CG-CB 4.04Å; M853-V901 HydrophobicContact CG-CG1 4.04Å; M853-V901 HydrophobicContact SD-CB 4.11Å; M853-V901 HydrophobicContact SD-CG1 3.62Å
854Y87.1Confident81.8Confident115 Ų11583.4 Ų83.445%0.45144%0.438SS..SBendtrans-138.8164.2175.9-51.7-70.7000110.2F866 Y899Y854-F866 WeakPolarHBondContact O-CE2 3.43Å; Y854-Y899 HydrophobicContact CD2-CD2 4.27Å; Y854-Y899 HydrophobicContact CD2-CG 4.24Å
855S91.7Very high84.5Confident78 Ų7880.7 Ų80.755%0.54543%0.425SS..  trans-81.1145.6168.250.80000111.2F866S855-F866 CarbonylContact C-O 3.59Å; S855-F866 VanDerWaalsContact CA-O 3.27Å; S855-F866 WeakPolarHBondContact CA-O 3.5Å
856C90.4Very high86.7Confident20 Ų2077 Ų7714%0.13540%0.4CS..BIsolated β-bridgetrans-127.2140.3172.8-163.30000109.8S865 F866 Y899C856-S865 CarbonylContact O-C 3.55Å; C856-S865 VanDerWaalsContact O-CA 3.31Å; C856-S865 WeakPolarHBondContact O-CA 3.23Å; C856-F866 HydrophobicContact CB-CD1 4.01Å; C856-F866 HydrophobicContact CB-CD2 4.14Å; C856-F866 HydrophobicContact CB-CE1 3.51Å; C856-F866 HydrophobicContact CB-CE2 3.68Å; C856-F866 HydrophobicContact CB-CG 4.31Å; C856-F866 HydrophobicContact CB-CZ 3.34Å; C856-F866 PolarHBondContact N-O 3.46Å; C856-F866 PolarHBondContact O-N 2.81Å; C856-Y899 HydrophobicContact CB-CD1 4.15Å; C856-Y899 HydrophobicContact CB-CE1 4.33Å
857E91.8Very high88.3Confident172 Ų17272.6 Ų72.680%0.80438%0.382SS*.  trans-110.3128.9160.8-67.2-174.4159.100106.5
858A87.5Confident89.7Confident34 Ų3478.4 Ų78.428%0.28141%0.405SS..  trans-67.1128.4-18000000111.1E863 S865A858-E863 WeakPolarHBondContact CA-OE2 3.31Å; A858-E863 HydrophobicContact CB-CB 3.66Å; A858-S865 WeakPolarHBondContact CB-OG 3.45Å; A858-S865 PolarHBondContact N-OG 3.46Å
859E81.4Confident89.9Confident172 Ų17272.6 Ų72.680%0.80439%0.394SS*.SBendtrans-84.6-26.3170.2-63.2-169.2172.200110.9E863E859-E863 PolarHBondContact N-OE2 3.41Å
860H83.3Confident90Very high106 Ų10669.8 Ų69.849%0.49138%0.38SS..SBendtrans-124.3155-178.7-52.794.9000113.6N862 E863H860-N862 WeakPolarHBondContact CB-OD1 3.22Å; H860-N862 PolarHBondContact O-N 3.2Å; H860-N862 VanDerWaalsContact O-N 3.16Å; H860-E863 HydrophobicContact CB-CG 4.28Å; H860-E863 IonicContact CE1-OE1 3.27Å; H860-E863 IonicContact CG-OE1 3.43Å; H860-E863 PolarHBondContact N-OE2 3.28Å; H860-E863 VanDerWaalsContact N-OE2 3.14Å; H860-E863 IonicContact ND1-OE1 2.65Å; H860-E863 PolarHBondContact ND1-OE1 2.9Å; H860-E863 IonicContact ND1-OE2 3.38Å; H860-E863 WeakPolarHBondContact O-CB 3.19Å; H860-E863 PolarHBondContact O-N 3.49Å; H860-E863 VanDerWaalsContact O-N 3.08Å
861S82.2Confident90.1Very high134 Ų13474.6 Ų74.694%0.93740%0.402SS*.THydrogen-bonded Turntrans-70.8-8.9-173.954.70000115.6
862N87.4Confident90.2Very high77 Ų7770 Ų7041%0.41238%0.383SS..THydrogen-bonded Turntrans-95.5-8.2173.156.9-55.6000113.4H860 G893 L894H860-N862 WeakPolarHBondContact CB-OD1 3.22Å; H860-N862 PolarHBondContact O-N 3.2Å; H860-N862 VanDerWaalsContact O-N 3.16Å; N862-G893 CarbonylContact O-C 3.58Å; N862-G893 VanDerWaalsContact O-CA 3.31Å; N862-G893 WeakPolarHBondContact O-CA 3.25Å; N862-L894 PolarHBondContact O-N 2.93Å
863E92.9Very high90.1Very high29 Ų2971.7 Ų71.714%0.13639%0.394CS..BIsolated β-bridgetrans-91.4162.1175.8-62.9163.9-169.900111A858 E859 H860 W883 L894A858-E863 WeakPolarHBondContact CA-OE2 3.31Å; A858-E863 HydrophobicContact CB-CB 3.66Å; E859-E863 PolarHBondContact N-OE2 3.41Å; H860-E863 HydrophobicContact CB-CG 4.28Å; H860-E863 IonicContact CE1-OE1 3.27Å; H860-E863 IonicContact CG-OE1 3.43Å; H860-E863 PolarHBondContact N-OE2 3.28Å; H860-E863 VanDerWaalsContact N-OE2 3.14Å; H860-E863 IonicContact ND1-OE1 2.65Å; H860-E863 PolarHBondContact ND1-OE1 2.9Å; H860-E863 IonicContact ND1-OE2 3.38Å; H860-E863 WeakPolarHBondContact O-CB 3.19Å; H860-E863 PolarHBondContact O-N 3.49Å; H860-E863 VanDerWaalsContact O-N 3.08Å; E863-W883 HydrophobicContact CG-CH2 3.95Å; E863-W883 HydrophobicContact CG-CZ3 3.92Å; E863-L894 WeakPolarHBondContact CA-O 3.4Å
864L90.8Very high90.2Very high15 Ų1571.2 Ų71.28%0.07939%0.394CS..  trans-108.6128.4174.6-61.3172.7000111.2F866 A886 K891 L894 I895L864-F866 HydrophobicContact CB-CD1 4.27Å; L864-F866 WeakPolarHBondContact O-CD1 3.42Å; L864-F866 VanDerWaalsContact O-CE1 3.3Å; L864-F866 WeakPolarHBondContact O-CE1 3.22Å; L864-A886 WeakPolarHBondContact CD1-O 3.38Å; L864-K891 HydrophobicContact CD2-CB 3.86Å; L864-L894 PolarHBondContact N-O 3.1Å; L864-I895 HydrophobicContact CB-CG2 3.97Å; L864-I895 HydrophobicContact CD1-CG2 3.97Å; L864-I895 HydrophobicContact CG-CG2 4.36Å
865S93.8Very high90.4Very high67 Ų6766 Ų6647%0.46937%0.373SS..  trans-78.1135.4162.7-560000110.2C856 A858C856-S865 CarbonylContact O-C 3.55Å; C856-S865 VanDerWaalsContact O-CA 3.31Å; C856-S865 WeakPolarHBondContact O-CA 3.23Å; A858-S865 WeakPolarHBondContact CB-OG 3.45Å; A858-S865 PolarHBondContact N-OG 3.46Å
866F94.4Very high90.4Very high8 Ų865.8 Ų65.84%0.03536%0.361CS..BIsolated β-bridgetrans-155.6146.6179.952.5-96.4000113A852 Y854 S855 C856 L864 A870 F872 Y888 I895 Y899A852-F866 HydrophobicContact CB-CD2 3.6Å; A852-F866 HydrophobicContact CB-CE2 3.74Å; Y854-F866 WeakPolarHBondContact O-CE2 3.43Å; S855-F866 CarbonylContact C-O 3.59Å; S855-F866 VanDerWaalsContact CA-O 3.27Å; S855-F866 WeakPolarHBondContact CA-O 3.5Å; C856-F866 HydrophobicContact CB-CD1 4.01Å; C856-F866 HydrophobicContact CB-CD2 4.14Å; C856-F866 HydrophobicContact CB-CE1 3.51Å; C856-F866 HydrophobicContact CB-CE2 3.68Å; C856-F866 HydrophobicContact CB-CG 4.31Å; C856-F866 HydrophobicContact CB-CZ 3.34Å; C856-F866 PolarHBondContact N-O 3.46Å; C856-F866 PolarHBondContact O-N 2.81Å; L864-F866 HydrophobicContact CB-CD1 4.27Å; L864-F866 WeakPolarHBondContact O-CD1 3.42Å; L864-F866 VanDerWaalsContact O-CE1 3.3Å; L864-F866 WeakPolarHBondContact O-CE1 3.22Å; F866-A870 HydrophobicContact CB-CB 3.9Å; F866-A870 HydrophobicContact CD2-CB 4.5Å; F866-F872 HydrophobicContact CB-CE1 4.4Å; F866-F872 HydrophobicContact CB-CZ 4.15Å; F866-F872 AromaticContact CD1-CE1 3.88Å; F866-F872 HydrophobicContact CD1-CE1 3.88Å; F866-F872 AromaticContact CD1-CZ 3.61Å; F866-F872 HydrophobicContact CD1-CZ 3.61Å; F866-F872 HydrophobicContact CD2-CE2 4.45Å; F866-F872 AromaticContact CD2-CZ 3.69Å; F866-F872 HydrophobicContact CD2-CZ 3.69Å; F866-F872 HydrophobicContact CE1-CE1 4.29Å; F866-F872 AromaticContact CE1-CZ 3.82Å; F866-F872 HydrophobicContact CE1-CZ 3.82Å; F866-F872 HydrophobicContact CE2-CE2 4.44Å; F866-F872 AromaticContact CE2-CZ 3.87Å; F866-F872 HydrophobicContact CE2-CZ 3.87Å; F866-F872 HydrophobicContact CG-CE1 4.08Å; F866-F872 AromaticContact CG-CZ 3.55Å; F866-F872 HydrophobicContact CG-CZ 3.55Å; F866-F872 AromaticContact CZ-CZ 3.93Å; F866-F872 HydrophobicContact CZ-CZ 3.93Å; F866-Y888 HydrophobicContact CB-CD1 4.26Å; F866-Y888 HydrophobicContact CB-CE1 4.22Å; F866-I895 HydrophobicContact CD1-CG2 4.08Å; F866-I895 HydrophobicContact CE1-CB 3.83Å; F866-I895 HydrophobicContact CE1-CG2 3.52Å; F866-I895 HydrophobicContact CZ-CB 4.22Å; F866-I895 HydrophobicContact CZ-CG2 4.35Å; F866-Y899 HydrophobicContact CZ-CD1 4.43Å
867P92.1Very high90.3Very high71 Ų7169.9 Ų69.946%0.46139%0.387SS..  trans-75.2160.7172.731.9-35.7000112.4A852 G869 A870A852-P867 WeakPolarHBondContact CB-O 3.36Å; P867-G869 PolarHBondContact O-N 3.12Å; P867-A870 HydrophobicContact CG-CB 4.24Å; P867-A870 WeakPolarHBondContact O-CB 3.04Å; P867-A870 PolarHBondContact O-N 3.36Å; P867-A870 VanDerWaalsContact O-N 3.17Å
868Q91.6Very high90.2Very high137 Ų13763.1 Ų63.164%0.6436%0.359SS*.THydrogen-bonded Turntrans-58.8134169.1-176.1178.141.500109.9M853M853-Q868 PolarHBondContact O-NE2 3.02Å
869G88.1Confident90Very high35 Ų3568.5 Ų68.536%0.36139%0.388SS..THydrogen-bonded Turntrans85.8-1.9-17700000115.5K851 A852 P867K851-G869 WeakPolarHBondContact CE-O 3.27Å; A852-G869 WeakPolarHBondContact O-CA 3.46Å; A852-G869 PolarHBondContact O-N 2.78Å; P867-G869 PolarHBondContact O-N 3.12Å
870A92.8Very high90Very high9 Ų964.9 Ų64.97%0.07437%0.371CS..  trans-50.9144.9169.800000112.6K851 A852 F866 P867 F872 Y888K851-A870 CarbonylContact C-O 3.55Å; K851-A870 WeakPolarHBondContact CA-O 3.33Å; A852-A870 HydrophobicContact CB-CB 3.86Å; A852-A870 PolarHBondContact N-O 3.3Å; F866-A870 HydrophobicContact CB-CB 3.9Å; F866-A870 HydrophobicContact CD2-CB 4.5Å; P867-A870 HydrophobicContact CG-CB 4.24Å; P867-A870 WeakPolarHBondContact O-CB 3.04Å; P867-A870 PolarHBondContact O-N 3.36Å; P867-A870 VanDerWaalsContact O-N 3.17Å; A870-F872 HydrophobicContact CB-CZ 4.43Å; A870-Y888 HydrophobicContact CB-CD2 4.09Å; A870-Y888 HydrophobicContact CB-CE2 3.48Å; A870-Y888 VanDerWaalsContact CB-CE2 3.48Å
871H95.1Very high90Very high101 Ų10166 Ų6647%0.46839%0.388SS..EExtended strand (participates in β ladder)trans-107.2120.9-178.7-169.3-68.8000110.4D849 Y888 L903D849-H871 IonicContact OD2-CE1 2.69Å; H871-Y888 WeakPolarHBondContact O-CD2 3.46Å; H871-L903 WeakPolarHBondContact NE2-CD1 3.38Å
872F95.8Very high90.1Very high0 Ų061.3 Ų61.30%036%0.361CS..EExtended strand (participates in β ladder)trans-98.2144.9176.2-56.7-75.5000110.3D849 A850 A852 F866 A870 V875 A886 Y888 I895 V900D849-F872 WeakPolarHBondContact CA-O 3.47Å; A850-F872 HydrophobicContact CB-CB 4.4Å; A850-F872 HydrophobicContact CB-CD2 4.43Å; A850-F872 PolarHBondContact N-O 3.45Å; A850-F872 VanDerWaalsContact N-O 3.09Å; A850-F872 PolarHBondContact O-N 2.93Å; A852-F872 HydrophobicContact CB-CE2 3.77Å; A852-F872 HydrophobicContact CB-CZ 4.2Å; F866-F872 HydrophobicContact CB-CE1 4.4Å; F866-F872 HydrophobicContact CB-CZ 4.15Å; F866-F872 AromaticContact CD1-CE1 3.88Å; F866-F872 HydrophobicContact CD1-CE1 3.88Å; F866-F872 AromaticContact CD1-CZ 3.61Å; F866-F872 HydrophobicContact CD1-CZ 3.61Å; F866-F872 HydrophobicContact CD2-CE2 4.45Å; F866-F872 AromaticContact CD2-CZ 3.69Å; F866-F872 HydrophobicContact CD2-CZ 3.69Å; F866-F872 HydrophobicContact CE1-CE1 4.29Å; F866-F872 AromaticContact CE1-CZ 3.82Å; F866-F872 HydrophobicContact CE1-CZ 3.82Å; F866-F872 HydrophobicContact CE2-CE2 4.44Å; F866-F872 AromaticContact CE2-CZ 3.87Å; F866-F872 HydrophobicContact CE2-CZ 3.87Å; F866-F872 HydrophobicContact CG-CE1 4.08Å; F866-F872 AromaticContact CG-CZ 3.55Å; F866-F872 HydrophobicContact CG-CZ 3.55Å; F866-F872 AromaticContact CZ-CZ 3.93Å; F866-F872 HydrophobicContact CZ-CZ 3.93Å; A870-F872 HydrophobicContact CB-CZ 4.43Å; F872-V875 HydrophobicContact CB-CG2 3.58Å; F872-A886 HydrophobicContact CB-CB 4.23Å; F872-A886 HydrophobicContact CD1-CB 4.07Å; F872-A886 HydrophobicContact CG-CB 4.33Å; F872-Y888 HydrophobicContact CD1-CD2 4.3Å; F872-Y888 HydrophobicContact CD1-CG 4.4Å; F872-Y888 HydrophobicContact CE1-CD2 4.21Å; F872-Y888 HydrophobicContact CE1-CG 4.15Å; F872-I895 HydrophobicContact CD1-CD1 3.79Å; F872-I895 HydrophobicContact CD1-CG2 4.42Å; F872-I895 HydrophobicContact CD2-CD1 3.76Å; F872-I895 HydrophobicContact CE1-CD1 3.85Å; F872-I895 HydrophobicContact CE1-CG2 3.83Å; F872-I895 HydrophobicContact CE2-CD1 3.8Å; F872-I895 HydrophobicContact CG-CD1 3.75Å; F872-I895 HydrophobicContact CZ-CD1 3.84Å; F872-I895 HydrophobicContact CZ-CG2 4.21Å; F872-V900 HydrophobicContact CD2-CG1 3.75Å; F872-V900 HydrophobicContact CE2-CG1 3.4Å; F872-V900 VanDerWaalsContact CE2-CG1 3.4Å; F872-V900 HydrophobicContact CZ-CG1 4.31Å
873S92.9Very high90.4Very high39 Ų3960.8 Ų60.827%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-120.7163.2167.763.70000110D849 V875 T887D849-S873 VanDerWaalsContact OD1-CA 3.28Å; D849-S873 WeakPolarHBondContact OD1-CA 3.34Å; D849-S873 WeakPolarHBondContact OD1-CB 3.24Å; S873-V875 VanDerWaalsContact C-N 3.34Å; S873-V875 PolarHBondContact O-N 2.97Å; S873-T887 PolarHBondContact N-O 2.9Å; S873-T887 WeakPolarHBondContact O-CB 3.37Å; S873-T887 PolarHBondContact O-N 3.16Å
874N90.8Very high90.4Very high77 Ų7759.5 Ų59.541%0.41235%0.347SS..EExtended strand (participates in β ladder)trans55.148.5178.2-67.2-78000112.2Y876N874-Y876 HydrophobicContact CB-CE2 3.86Å; N874-Y876 WeakPolarHBondContact O-CD2 3.44Å; N874-Y876 WeakPolarHBondContact O-CE2 3.29Å; N874-Y876 PolarHBondContact OD1-OH 3.09Å
875V92.4Very high90.6Very high4 Ų463.2 Ų63.22%0.02437%0.365CS..EExtended strand (participates in β ladder)trans-86.2124.9-179.5-172.80000110.6R848 A850 F872 S873 L884 Q885 A886 Y902R848-V875 VanDerWaalsContact O-CB 3.24Å; R848-V875 WeakPolarHBondContact O-CB 3.02Å; R848-V875 VanDerWaalsContact O-CG2 3.28Å; R848-V875 WeakPolarHBondContact O-CG2 3.29Å; R848-V875 PolarHBondContact O-N 2.73Å; A850-V875 HydrophobicContact CB-CG2 3.89Å; F872-V875 HydrophobicContact CB-CG2 3.58Å; S873-V875 VanDerWaalsContact C-N 3.34Å; S873-V875 PolarHBondContact O-N 2.97Å; V875-L884 HydrophobicContact CG1-CB 3.96Å; V875-L884 HydrophobicContact CG1-CD1 3.69Å; V875-L884 HydrophobicContact CG1-CG 4.36Å; V875-Q885 WeakPolarHBondContact CA-O 3.39Å; V875-A886 HydrophobicContact CG1-CB 4.46Å; V875-A886 HydrophobicContact CG2-CB 3.9Å; V875-Y902 HydrophobicContact CB-CE1 4.23Å; V875-Y902 HydrophobicContact CG1-CE1 3.84Å
876Y91.4Very high90.6Very high75 Ų7560 Ų6029%0.29434%0.342SS..EExtended strand (participates in β ladder)trans-135.3154.2179.4-50.6-75.2000110.7P845 G847 N874 L884 Q885P845-Y876 HydrophobicContact CB-CE1 4.37Å; P845-Y876 HydrophobicContact CG-CE1 4.12Å; G847-Y876 VanDerWaalsContact CA-CE1 3.4Å; G847-Y876 WeakPolarHBondContact CA-OH 3.44Å; N874-Y876 HydrophobicContact CB-CE2 3.86Å; N874-Y876 WeakPolarHBondContact O-CD2 3.44Å; N874-Y876 WeakPolarHBondContact O-CE2 3.29Å; N874-Y876 PolarHBondContact OD1-OH 3.09Å; Y876-L884 CarbonylContact O-C 3.48Å; Y876-L884 WeakPolarHBondContact O-CA 3.24Å; Y876-Q885 PolarHBondContact N-O 2.78Å; Y876-Q885 PolarHBondContact O-N 3.33Å
877P87.9Confident90.6Very high105 Ų10560.9 Ų60.968%0.68235%0.348SS*.EExtended strand (participates in β ladder)trans-57.9137.3170.5-2334.3000112
878S89.9Confident90.6Very high31 Ų3159.3 Ų59.322%0.21733%0.333CS..  trans-77.6167.1171.3-170.30000111.5E880 W883 L894S878-E880 PolarHBondContact OG-N 2.75Å; S878-W883 WeakPolarHBondContact CB-O 3.41Å; S878-W883 PolarHBondContact N-O 3.13Å; S878-L894 WeakPolarHBondContact OG-CD2 3.31Å
879V83.1Confident90.5Very high147 Ų14759.6 Ų59.689%0.89133%0.334SS*.SBendtrans-71.5-23.4163.5-174.70000110.6
880E80.8Confident90.4Very high95 Ų9563.8 Ų63.844%0.44436%0.359SS..SBendtrans-87118.5175.8-68.1178.5-148.600110.9S878 G882 W883S878-E880 PolarHBondContact OG-N 2.75Å; E880-G882 PolarHBondContact O-N 2.99Å; E880-W883 HydrophobicContact CB-CB 4.35Å; E880-W883 HydrophobicContact CB-CG 4.45Å; E880-W883 PolarHBondContact O-N 3.15Å
881P83.6Confident90.2Very high129 Ų12970.4 Ų70.484%0.83839%0.385SS*.THydrogen-bonded Turntrans-60.4134.3-178-25.435.2000113W883P881-W883 VanDerWaalsContact C-N 3.32Å
882G84.8Confident90.1Very high37 Ų3769.6 Ų69.638%0.38139%0.388SS..THydrogen-bonded Turntrans82.14.9-17700000114.8E880 E897E880-G882 PolarHBondContact O-N 2.99Å; G882-E897 VanDerWaalsContact O-CB 3.32Å; G882-E897 WeakPolarHBondContact O-CB 3.41Å; G882-E897 PolarHBondContact O-N 3.25Å
883W93Very high89.9Confident66 Ų6670 Ų7025%0.2539%0.392CS..EExtended strand (participates in β ladder)trans-117.7150.7172.2-65.788.6000111.5E863 S878 E880 P881 L894 P896E863-W883 HydrophobicContact CG-CH2 3.95Å; E863-W883 HydrophobicContact CG-CZ3 3.92Å; S878-W883 WeakPolarHBondContact CB-O 3.41Å; S878-W883 PolarHBondContact N-O 3.13Å; E880-W883 HydrophobicContact CB-CB 4.35Å; E880-W883 HydrophobicContact CB-CG 4.45Å; E880-W883 PolarHBondContact O-N 3.15Å; P881-W883 VanDerWaalsContact C-N 3.32Å; W883-L894 HydrophobicContact CD2-CB 4.43Å; W883-L894 HydrophobicContact CE3-CB 3.74Å; W883-L894 HydrophobicContact CZ3-CB 4.24Å; W883-P896 HydrophobicContact CE3-CG 4.16Å; W883-P896 HydrophobicContact CH2-CG 4.08Å; W883-P896 HydrophobicContact CZ3-CG 3.73Å
884L93Very high90Very high1 Ų168.9 Ų68.91%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-117.2143.7171.1-56.3176000108.9V875 Y876 L894 I895 E897 V900V875-L884 HydrophobicContact CG1-CB 3.96Å; V875-L884 HydrophobicContact CG1-CD1 3.69Å; V875-L884 HydrophobicContact CG1-CG 4.36Å; Y876-L884 CarbonylContact O-C 3.48Å; Y876-L884 WeakPolarHBondContact O-CA 3.24Å; L884-L894 CarbonylContact O-C 3.57Å; L884-L894 WeakPolarHBondContact O-CA 3.26Å; L884-I895 HydrophobicContact CB-CG1 4.05Å; L884-I895 PolarHBondContact N-O 3.24Å; L884-I895 PolarHBondContact O-N 3.49Å; L884-E897 HydrophobicContact CD1-CB 4.28Å; L884-E897 HydrophobicContact CD1-CG 4.14Å; L884-E897 HydrophobicContact CD2-CB 4.23Å; L884-E897 HydrophobicContact CD2-CG 4.02Å; L884-E897 HydrophobicContact CG-CB 3.88Å; L884-E897 HydrophobicContact CG-CG 4.04Å; L884-V900 HydrophobicContact CD1-CG2 3.63Å
885Q94.6Very high90.2Very high94 Ų9465.2 Ų65.244%0.43936%0.363SS..EExtended strand (participates in β ladder)trans-88.5128166-172.2175.23.600108.5V875 Y876 T892 L894V875-Q885 WeakPolarHBondContact CA-O 3.39Å; Y876-Q885 PolarHBondContact N-O 2.78Å; Y876-Q885 PolarHBondContact O-N 3.33Å; Q885-T892 HydrophobicContact CG-CG2 3.91Å; Q885-L894 HydrophobicContact CB-CD2 4.32Å
886A94.5Very high90.2Very high0 Ų065.7 Ų65.70%037%0.366CS..EExtended strand (participates in β ladder)trans-144.8163.4-172.700000111.6L864 F872 V875 T892 G893 I895L864-A886 WeakPolarHBondContact CD1-O 3.38Å; F872-A886 HydrophobicContact CB-CB 4.23Å; F872-A886 HydrophobicContact CD1-CB 4.07Å; F872-A886 HydrophobicContact CG-CB 4.33Å; V875-A886 HydrophobicContact CG1-CB 4.46Å; V875-A886 HydrophobicContact CG2-CB 3.9Å; A886-T892 VanDerWaalsContact O-CA 3.28Å; A886-T892 WeakPolarHBondContact O-CA 3.49Å; A886-T892 WeakPolarHBondContact O-CG2 3.27Å; A886-G893 PolarHBondContact N-O 2.97Å; A886-G893 PolarHBondContact O-N 2.77Å; A886-I895 HydrophobicContact CB-CD1 3.48Å; A886-I895 VanDerWaalsContact CB-CD1 3.48Å; A886-I895 HydrophobicContact CB-CG1 3.92Å; A886-I895 HydrophobicContact CB-CG2 4.35Å
887T93.9Very high90.3Very high25 Ų2566.6 Ų66.615%0.15337%0.373CS..EExtended strand (participates in β ladder)trans-116.3121.9174.5-55.60000111.5S873 K891 T892S873-T887 PolarHBondContact N-O 2.9Å; S873-T887 WeakPolarHBondContact O-CB 3.37Å; S873-T887 PolarHBondContact O-N 3.16Å; T887-K891 CarbonylContact C-O 3.57Å; T887-K891 VanDerWaalsContact CA-O 3.31Å; T887-K891 WeakPolarHBondContact CA-O 3.35Å; T887-T892 PolarHBondContact OG1-OG1 3.28Å
888Y92.9Very high90.5Very high38 Ų3867.2 Ų67.215%0.14937%0.371CS..EExtended strand (participates in β ladder)trans-128.2133.8176.9-175.8-109.6000109.7F866 A870 H871 F872 S890 K891F866-Y888 HydrophobicContact CB-CD1 4.26Å; F866-Y888 HydrophobicContact CB-CE1 4.22Å; A870-Y888 HydrophobicContact CB-CD2 4.09Å; A870-Y888 HydrophobicContact CB-CE2 3.48Å; A870-Y888 VanDerWaalsContact CB-CE2 3.48Å; H871-Y888 WeakPolarHBondContact O-CD2 3.46Å; F872-Y888 HydrophobicContact CD1-CD2 4.3Å; F872-Y888 HydrophobicContact CD1-CG 4.4Å; F872-Y888 HydrophobicContact CE1-CD2 4.21Å; F872-Y888 HydrophobicContact CE1-CG 4.15Å; Y888-S890 PolarHBondContact O-N 3.01Å; Y888-S890 VanDerWaalsContact O-N 3.08Å; Y888-K891 PolarHBondContact N-O 3.01Å; Y888-K891 PolarHBondContact O-N 3.23Å; Y888-K891 VanDerWaalsContact O-O 3.09Å
889E88.9Confident90.6Very high143 Ų14369.6 Ų69.667%0.66838%0.376SS*.THydrogen-bonded Turntrans4739.9180-69.6177.6-162.400114.2K891E889-K891 PolarHBondContact O-N 3.41Å
890S86.8Confident91Very high124 Ų12463.5 Ų63.587%0.86734%0.339SS*.THydrogen-bonded Turntrans64.412.4-175.1-43.60000116.4Y888Y888-S890 PolarHBondContact O-N 3.01Å; Y888-S890 VanDerWaalsContact O-N 3.08Å
891K87.3Confident91.5Very high147 Ų14762.2 Ų62.264%0.63934%0.337SS*.EExtended strand (participates in β ladder)trans-105134.3168.6-64.1176.8-177.4171.80110L864 T887 Y888 E889L864-K891 HydrophobicContact CD2-CB 3.86Å; T887-K891 CarbonylContact C-O 3.57Å; T887-K891 VanDerWaalsContact CA-O 3.31Å; T887-K891 WeakPolarHBondContact CA-O 3.35Å; Y888-K891 PolarHBondContact N-O 3.01Å; Y888-K891 PolarHBondContact O-N 3.23Å; Y888-K891 VanDerWaalsContact O-O 3.09Å; E889-K891 PolarHBondContact O-N 3.41Å
892T92.9Very high91.9Very high84 Ų8459.8 Ų59.852%0.51531%0.312SS..EExtended strand (participates in β ladder)trans-103.2133.6173.6-51.30000109.8Q885 A886 T887Q885-T892 HydrophobicContact CG-CG2 3.91Å; A886-T892 VanDerWaalsContact O-CA 3.28Å; A886-T892 WeakPolarHBondContact O-CA 3.49Å; A886-T892 WeakPolarHBondContact O-CG2 3.27Å; T887-T892 PolarHBondContact OG1-OG1 3.28Å
893G93Very high91.7Very high8 Ų865 Ų658%0.08233%0.33CS..EExtended strand (participates in β ladder)trans-170.8-173-179.300000111.7N862 A886N862-G893 CarbonylContact O-C 3.58Å; N862-G893 VanDerWaalsContact O-CA 3.31Å; N862-G893 WeakPolarHBondContact O-CA 3.25Å; A886-G893 PolarHBondContact N-O 2.97Å; A886-G893 PolarHBondContact O-N 2.77Å
894L94.8Very high91.6Very high17 Ų1764.9 Ų64.99%0.08933%0.334CS..EExtended strand (participates in β ladder)trans-85141179.9-60.7-175.7000112N862 E863 L864 S878 W883 L884 Q885N862-L894 PolarHBondContact O-N 2.93Å; E863-L894 WeakPolarHBondContact CA-O 3.4Å; L864-L894 PolarHBondContact N-O 3.1Å; S878-L894 WeakPolarHBondContact OG-CD2 3.31Å; W883-L894 HydrophobicContact CD2-CB 4.43Å; W883-L894 HydrophobicContact CE3-CB 3.74Å; W883-L894 HydrophobicContact CZ3-CB 4.24Å; L884-L894 CarbonylContact O-C 3.57Å; L884-L894 WeakPolarHBondContact O-CA 3.26Å; Q885-L894 HydrophobicContact CB-CD2 4.32Å
895I94.4Very high91.6Very high0 Ų068.3 Ų68.30%035%0.351CS..EExtended strand (participates in β ladder)trans-133.1145.3170.367.9177.6000109.7L864 F866 F872 L884 A886 E897 V900L864-I895 HydrophobicContact CB-CG2 3.97Å; L864-I895 HydrophobicContact CD1-CG2 3.97Å; L864-I895 HydrophobicContact CG-CG2 4.36Å; F866-I895 HydrophobicContact CD1-CG2 4.08Å; F866-I895 HydrophobicContact CE1-CB 3.83Å; F866-I895 HydrophobicContact CE1-CG2 3.52Å; F866-I895 HydrophobicContact CZ-CB 4.22Å; F866-I895 HydrophobicContact CZ-CG2 4.35Å; F872-I895 HydrophobicContact CD1-CD1 3.79Å; F872-I895 HydrophobicContact CD1-CG2 4.42Å; F872-I895 HydrophobicContact CD2-CD1 3.76Å; F872-I895 HydrophobicContact CE1-CD1 3.85Å; F872-I895 HydrophobicContact CE1-CG2 3.83Å; F872-I895 HydrophobicContact CE2-CD1 3.8Å; F872-I895 HydrophobicContact CG-CD1 3.75Å; F872-I895 HydrophobicContact CZ-CD1 3.84Å; F872-I895 HydrophobicContact CZ-CG2 4.21Å; L884-I895 HydrophobicContact CB-CG1 4.05Å; L884-I895 PolarHBondContact N-O 3.24Å; L884-I895 PolarHBondContact O-N 3.49Å; A886-I895 HydrophobicContact CB-CD1 3.48Å; A886-I895 VanDerWaalsContact CB-CD1 3.48Å; A886-I895 HydrophobicContact CB-CG1 3.92Å; A886-I895 HydrophobicContact CB-CG2 4.35Å; I895-E897 PolarHBondContact O-N 3.3Å; I895-V900 HydrophobicContact CD1-CG1 3.57Å; I895-V900 HydrophobicContact CD1-CG2 4.46Å; I895-V900 HydrophobicContact CG1-CG1 4.43Å
896P93.5Very high91.4Very high14 Ų1466.8 Ų66.89%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-66.5133.2179.6-18.130.3000111.1W883 N898 Y899W883-P896 HydrophobicContact CE3-CG 4.16Å; W883-P896 HydrophobicContact CH2-CG 4.08Å; W883-P896 HydrophobicContact CZ3-CG 3.73Å; P896-N898 VanDerWaalsContact C-N 3.26Å; P896-N898 VanDerWaalsContact CB-OD1 3.26Å; P896-N898 WeakPolarHBondContact CB-OD1 3.47Å; P896-N898 PolarHBondContact O-N 3.1Å; P896-Y899 HydrophobicContact CB-CD2 3.84Å; P896-Y899 HydrophobicContact CB-CG 3.95Å; P896-Y899 HydrophobicContact CG-CD1 4.34Å; P896-Y899 HydrophobicContact CG-CD2 4.19Å; P896-Y899 HydrophobicContact CG-CG 4Å; P896-Y899 WeakPolarHBondContact O-CB 3.41Å; P896-Y899 PolarHBondContact O-N 2.98Å
897E92.3Very high91.2Very high93 Ų9370.8 Ų70.844%0.43537%0.367SS..G310 helixtrans-60.7-38.2-178.4-178.7169.6-149.300111.6G882 L884 I895 Y899 V900G882-E897 VanDerWaalsContact O-CB 3.32Å; G882-E897 WeakPolarHBondContact O-CB 3.41Å; G882-E897 PolarHBondContact O-N 3.25Å; L884-E897 HydrophobicContact CD1-CB 4.28Å; L884-E897 HydrophobicContact CD1-CG 4.14Å; L884-E897 HydrophobicContact CD2-CB 4.23Å; L884-E897 HydrophobicContact CD2-CG 4.02Å; L884-E897 HydrophobicContact CG-CB 3.88Å; L884-E897 HydrophobicContact CG-CG 4.04Å; I895-E897 PolarHBondContact O-N 3.3Å; E897-Y899 PolarHBondContact O-N 2.94Å; E897-V900 PolarHBondContact O-N 3.23Å
898N92.4Very high91.1Very high119 Ų11973.6 Ų73.664%0.63638%0.38SS*.G310 helixtrans-75.6-317666.4-25.8000114.5P896P896-N898 VanDerWaalsContact C-N 3.26Å; P896-N898 VanDerWaalsContact CB-OD1 3.26Å; P896-N898 WeakPolarHBondContact CB-OD1 3.47Å; P896-N898 PolarHBondContact O-N 3.1Å
899Y92.6Very high90.9Very high81 Ų8176 Ų7632%0.31840%0.396SS..G310 helixtrans-96.6-3.8176.8-86.9-135.6000113.2M853 Y854 C856 F866 P896 E897M853-Y899 PolarHBondContact N-O 3.09Å; Y854-Y899 HydrophobicContact CD2-CD2 4.27Å; Y854-Y899 HydrophobicContact CD2-CG 4.24Å; C856-Y899 HydrophobicContact CB-CD1 4.15Å; C856-Y899 HydrophobicContact CB-CE1 4.33Å; F866-Y899 HydrophobicContact CZ-CD1 4.43Å; P896-Y899 HydrophobicContact CB-CD2 3.84Å; P896-Y899 HydrophobicContact CB-CG 3.95Å; P896-Y899 HydrophobicContact CG-CD1 4.34Å; P896-Y899 HydrophobicContact CG-CD2 4.19Å; P896-Y899 HydrophobicContact CG-CG 4Å; P896-Y899 WeakPolarHBondContact O-CB 3.41Å; P896-Y899 PolarHBondContact O-N 2.98Å; E897-Y899 PolarHBondContact O-N 2.94Å
900V91.1Very high91.1Very high18 Ų1871.2 Ų71.211%0.10938%0.376CS..EExtended strand (participates in β ladder)trans-127.1162-179.3-59.70000113.7A850 K851 F872 L884 I895 E897A850-V900 HydrophobicContact CB-CB 4.22Å; A850-V900 HydrophobicContact CB-CG2 4.34Å; K851-V900 CarbonylContact O-C 3.57Å; K851-V900 VanDerWaalsContact O-CA 3.25Å; K851-V900 WeakPolarHBondContact O-CA 3.44Å; F872-V900 HydrophobicContact CD2-CG1 3.75Å; F872-V900 HydrophobicContact CE2-CG1 3.4Å; F872-V900 VanDerWaalsContact CE2-CG1 3.4Å; F872-V900 HydrophobicContact CZ-CG1 4.31Å; L884-V900 HydrophobicContact CD1-CG2 3.63Å; I895-V900 HydrophobicContact CD1-CG1 3.57Å; I895-V900 HydrophobicContact CD1-CG2 4.46Å; I895-V900 HydrophobicContact CG1-CG1 4.43Å; E897-V900 PolarHBondContact O-N 3.23Å
901V92.3Very high91.4Very high69 Ų6967.2 Ų67.242%0.41834%0.338SS..EExtended strand (participates in β ladder)trans-123.4135.8164.168.10000108.6A850 K851 M853A850-V901 CarbonylContact C-O 3.19Å; A850-V901 VanDerWaalsContact CA-O 3.23Å; A850-V901 WeakPolarHBondContact CA-O 3.12Å; A850-V901 WeakPolarHBondContact CB-O 3.39Å; K851-V901 HydrophobicContact CB-CG1 4.33Å; K851-V901 PolarHBondContact N-O 2.91Å; K851-V901 PolarHBondContact O-N 3.42Å; M853-V901 HydrophobicContact CG-CB 4.04Å; M853-V901 HydrophobicContact CG-CG1 4.04Å; M853-V901 HydrophobicContact SD-CB 4.11Å; M853-V901 HydrophobicContact SD-CG1 3.62Å
902Y90.8Very high91.8Very high78 Ų7860.5 Ų60.531%0.30631%0.313SS..EExtended strand (participates in β ladder)trans-65.1146.3171.4-68-72.4000110.4R848 A850 V875R848-Y902 HydrophobicContact CB-CD1 3.54Å; R848-Y902 HydrophobicContact CB-CE1 3.84Å; R848-Y902 HydrophobicContact CG-CD1 4.23Å; R848-Y902 HydrophobicContact CG-CE1 4.43Å; A850-Y902 HydrophobicContact CB-CD1 4.21Å; V875-Y902 HydrophobicContact CB-CE1 4.23Å; V875-Y902 HydrophobicContact CG1-CE1 3.84Å
903L81.2Confident91.7Very high145 Ų14558.4 Ų58.476%0.75930%0.295SS*.  trans-97.40179-68.3172.9000112.5D849 K851 H871D849-L903 HydrophobicContact CB-CB 4.37Å; D849-L903 HydrophobicContact CB-CD1 4.27Å; D849-L903 PolarHBondContact O-N 2.64Å; K851-L903 HydrophobicContact CB-CD1 4.18Å; K851-L903 HydrophobicContact CB-CD2 4Å; K851-L903 HydrophobicContact CB-CG 4.17Å; K851-L903 HydrophobicContact CD-CD2 4.47Å; H871-L903 WeakPolarHBondContact NE2-CD1 3.38Å

Retrieved 903 of 903 residues in 471.3 ms (Link to these results)

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