A0A087YM54_POEFO Loading...

Scaffolding anchor of CK1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YM54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 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
1M39.8Very low39.4Very low226 Ų226134.2 Ų134.2100%1.11379%0.788SS**  01160-72158.3175.200107.1
2D36.7Very low39.5Very low159 Ų159141.1 Ų141.185%0.8579%0.793SS**  cis-145.6162.7-3.8-72.7-50.4000107.7
3G36.1Very low39.8Very low58 Ų58147.8 Ų147.860%0.59880%0.798SS**  cis151.284.69.400000106.9N5G3-N5 PolarHBondContact O-N 3.34Å
4S42.3Very low40.3Very low125 Ų125153.7 Ų153.787%0.87480%0.804SS**  trans-61.9118.2-159.6-53.50000114.3
5N36.4Very low41.5Very low141 Ų141157.3 Ų157.375%0.75481%0.811SS**  trans-12369.5170.1-93.8-37.8000111.2G3G3-N5 PolarHBondContact O-N 3.34Å
6N36.6Very low43.3Very low156 Ų156157.5 Ų157.583%0.83481%0.807SS**  trans-108.674.9164.4-123.5-28000107.9S8N6-S8 VanDerWaalsContact C-N 3.27Å; N6-S8 PolarHBondContact O-N 3.48Å
7I40.1Very low45.3Very low138 Ų138152.1 Ų152.171%0.70878%0.784SS**  trans-75.387.4176.5-59.2178.7000107.5V9I7-V9 PolarHBondContact O-N 3.12Å
8S42.3Very low47.4Very low97 Ų97146.1 Ų146.168%0.67876%0.756SS**  trans-56.4105168.6-63.40000108.9N6 L10N6-S8 VanDerWaalsContact C-N 3.27Å; N6-S8 PolarHBondContact O-N 3.48Å; S8-L10 VanDerWaalsContact C-N 3.28Å; S8-L10 PolarHBondContact O-N 2.99Å
9V39.1Very low49.2Very low128 Ų128138.6 Ų138.678%0.77672%0.718SS**  trans-65.993.9172.7179.20000107.4I7 S11I7-V9 PolarHBondContact O-N 3.12Å; V9-S11 PolarHBondContact O-N 3Å
10L41.6Very low51Low144 Ų144133 Ų13375%0.75469%0.687SS**  trans-6292166.7-77.8170.2000107.2S8 Y12S8-L10 VanDerWaalsContact C-N 3.28Å; S8-L10 PolarHBondContact O-N 2.99Å; L10-Y12 PolarHBondContact O-N 3.5Å
11S42.9Very low52.7Low104 Ų104126.8 Ų126.873%0.72766%0.656SS**  trans-61.5101.8171.850.90000107.4V9 R13V9-S11 PolarHBondContact O-N 3Å; S11-R13 PolarHBondContact O-N 3.15Å
12Y39.8Very low55Low217 Ų217119.8 Ų119.885%0.85162%0.617SS**  trans-58.894.6169.5-81.8-91.5000107.4L10 R14L10-Y12 PolarHBondContact O-N 3.5Å; Y12-R14 PolarHBondContact O-N 3.19Å
13R44.5Very low57.4Low228 Ų228119.1 Ų119.186%0.8660%0.602SS**  trans-64.389.7175.3-169.9-175.7-158.5178.57.8106.1S11 F15S11-R13 PolarHBondContact O-N 3.15Å; R13-F15 PolarHBondContact O-N 3.07Å
14R46.6Very low59.8Low231 Ų231118.7 Ų118.787%0.87258%0.583SS**  trans-45.6113.8178.1-86.7-174173.7173.8-2107Y12 Q16Y12-R14 PolarHBondContact O-N 3.19Å; R14-Q16 VanDerWaalsContact C-N 3.33Å; R14-Q16 PolarHBondContact O-N 3.23Å
15F58.6Low61.9Low207 Ų207112.8 Ų112.891%0.90854%0.541SS*.  trans-62.7104.1169.5-79.2-92.9000105.6R13R13-F15 PolarHBondContact O-N 3.07Å
16Q69.6Low64.3Low161 Ų161109.7 Ų109.775%0.75252%0.522SS*.  trans-59.5129.8167.6-72.2-179.8-36.600106.4R14R14-Q16 VanDerWaalsContact C-N 3.33Å; R14-Q16 PolarHBondContact O-N 3.23Å
17P77.3Confident66.5Low65 Ų65104.1 Ų104.142%0.42250%0.502SS..  trans-58.3151.4170.427.8-34.7000109A75 E76P17-A75 WeakPolarHBondContact CD-O 3.33Å; P17-A75 WeakPolarHBondContact CG-O 3.35Å; P17-E76 CarbonylContact C-O 3.57Å
18V82.8Confident68.5Low45 Ų4598 Ų9827%0.27347%0.471SS..  trans-125.9107.7176-178.50000106.2R22 R23V18-R22 HydrophobicContact CG1-CB 4.14Å; V18-R22 HydrophobicContact CG1-CG 4.28Å; V18-R23 HydrophobicContact CG1-CB 4.08Å; V18-R23 PolarHBondContact O-NE 3.27Å; V18-R23 PolarHBondContact O-NH2 2.7Å
19G81.6Confident70.4Confident3 Ų397 Ų973%0.03145%0.452CS..  trans-52.8156.8-178.200000113.2V21 R22 R23 E76 G77 E78G19-V21 VanDerWaalsContact C-N 3.31Å; G19-V21 PolarHBondContact O-N 2.98Å; G19-R22 PolarHBondContact O-N 3.24Å; G19-R23 WeakPolarHBondContact O-CB 3.44Å; G19-R23 PolarHBondContact O-N 2.85Å; G19-E76 PolarHBondContact N-O 2.92Å; G19-G77 PolarHBondContact N-O 2.93Å; G19-E78 VanDerWaalsContact C-OE2 3.28Å
20K85.6Confident72.1Confident26 Ų2696.2 Ų96.211%0.11344%0.442CS..Hα-helixtrans-54-46-174.7175169.4169.5162.20111.7R24 D47 S49 E78K20-R24 PolarHBondContact O-N 2.96Å; K20-D47 WeakPolarHBondContact CE-OD2 3.44Å; K20-D47 PolarHBondContact NZ-O 3.35Å; K20-D47 IonicContact NZ-OD1 3.05Å; K20-D47 PolarHBondContact NZ-OD1 2.85Å; K20-D47 IonicContact NZ-OD2 2.72Å; K20-D47 PolarHBondContact NZ-OD2 2.66Å; K20-S49 PolarHBondContact NZ-O 3.32Å; K20-S49 PolarHBondContact NZ-OG 3.27Å; K20-E78 PolarHBondContact N-OE2 2.82Å
21V86.1Confident72.7Confident4 Ų493.3 Ų93.32%0.02443%0.432CS..Hα-helixtrans-73.2-47.8179.5-1660000110.5G19 R23 R24 V25 E78 V79 P182 E183G19-V21 VanDerWaalsContact C-N 3.31Å; G19-V21 PolarHBondContact O-N 2.98Å; V21-R23 PolarHBondContact O-N 2.98Å; V21-R23 VanDerWaalsContact O-N 3.14Å; V21-R24 WeakPolarHBondContact O-CB 3.36Å; V21-R24 PolarHBondContact O-N 2.86Å; V21-V25 HydrophobicContact CG1-CG2 4.1Å; V21-V25 VanDerWaalsContact O-CG2 3.24Å; V21-V25 WeakPolarHBondContact O-CG2 3.42Å; V21-V25 PolarHBondContact O-N 2.82Å; V21-E78 WeakPolarHBondContact CA-OE1 3.2Å; V21-E78 WeakPolarHBondContact CB-OE1 3.48Å; V21-E78 PolarHBondContact N-OE1 2.95Å; V21-E78 PolarHBondContact N-OE2 2.8Å; V21-V79 HydrophobicContact CB-CG2 4.27Å; V21-V79 HydrophobicContact CG1-CG2 4.26Å; V21-P182 HydrophobicContact CG1-CB 3.93Å; V21-P182 HydrophobicContact CG1-CG 4.07Å; V21-E183 HydrophobicContact CG1-CG 4.46Å; V21-E183 HydrophobicContact CG2-CG 3.62Å
22R88.1Confident73.3Confident78 Ų7893.1 Ų93.129%0.29443%0.431SS..Hα-helixtrans-56.1-36.7-179.4-164.3-175.5-73.4-176.40.1111.5V18 G19 V25 Q26 L73 G77 E78 V79V18-R22 HydrophobicContact CG1-CB 4.14Å; V18-R22 HydrophobicContact CG1-CG 4.28Å; G19-R22 PolarHBondContact O-N 3.24Å; R22-V25 PolarHBondContact O-N 2.82Å; R22-Q26 WeakPolarHBondContact O-CB 3.37Å; R22-Q26 VanDerWaalsContact O-CG 3.24Å; R22-Q26 WeakPolarHBondContact O-CG 3.49Å; R22-Q26 PolarHBondContact O-N 2.84Å; R22-L73 PolarHBondContact NH2-O 2.9Å; R22-G77 WeakPolarHBondContact CB-O 3.32Å; R22-G77 WeakPolarHBondContact CD-O 3.29Å; R22-G77 VanDerWaalsContact CZ-O 3.27Å; R22-G77 PolarHBondContact NE-O 2.85Å; R22-E78 VanDerWaalsContact CZ-O 3.32Å; R22-E78 PolarHBondContact N-OE1 2.98Å; R22-E78 PolarHBondContact NE-O 2.82Å; R22-E78 PolarHBondContact NH2-O 3.24Å; R22-V79 HydrophobicContact CB-CG2 3.74Å; R22-V79 HydrophobicContact CG-CG2 4.17Å
23R86.9Confident73.4Confident145 Ų14588.3 Ų88.355%0.54743%0.429SS..Hα-helixtrans-64.7-45.9175.3-160-176.7-52.31577112.5V18 G19 V21 Q26 G27V18-R23 HydrophobicContact CG1-CB 4.08Å; V18-R23 PolarHBondContact O-NE 3.27Å; V18-R23 PolarHBondContact O-NH2 2.7Å; G19-R23 WeakPolarHBondContact O-CB 3.44Å; G19-R23 PolarHBondContact O-N 2.85Å; V21-R23 PolarHBondContact O-N 2.98Å; V21-R23 VanDerWaalsContact O-N 3.14Å; R23-Q26 PolarHBondContact O-N 2.81Å; R23-G27 PolarHBondContact O-N 3.32Å
24R87.6Confident73.2Confident49 Ų4981.2 Ų81.219%0.18541%0.414CS..Hα-helixtrans-61.2-45.8174.5-66.5-178.273.4-158.74.6111.2K20 V21 Q26 G27 L28 R162 E183 C186 D187 E190K20-R24 PolarHBondContact O-N 2.96Å; V21-R24 WeakPolarHBondContact O-CB 3.36Å; V21-R24 PolarHBondContact O-N 2.86Å; R24-Q26 PolarHBondContact O-N 2.79Å; R24-G27 PolarHBondContact O-N 2.92Å; R24-L28 WeakPolarHBondContact O-CG 3.43Å; R24-L28 PolarHBondContact O-N 3.02Å; R24-R162 VanDerWaalsContact NH1-NH2 3.19Å; R24-E183 PolarHBondContact NH1-O 3.44Å; R24-C186 HydrophobicContact CB-CB 4.43Å; R24-D187 IonicContact CZ-OD1 2.6Å; R24-D187 IonicContact CZ-OD2 2.9Å; R24-D187 IonicContact NH1-OD1 3.36Å; R24-D187 IonicContact NH1-OD2 3.48Å; R24-D187 PolarHBondContact NH1-OD2 2.81Å; R24-D187 VanDerWaalsContact NH1-OD2 3.12Å; R24-D187 VanDerWaalsContact NH2-CG 3.26Å; R24-D187 IonicContact NH2-OD1 2.82Å; R24-D187 PolarHBondContact NH2-OD1 3.44Å; R24-D187 IonicContact NH2-OD2 3.19Å; R24-E190 IonicContact CZ-OE2 2.94Å; R24-E190 IonicContact NE-OE2 3.21Å; R24-E190 IonicContact NH2-OE2 2.76Å; R24-E190 PolarHBondContact NH2-OE2 2.9Å
25V86.8Confident73Confident1 Ų177.9 Ų77.91%0.00641%0.414CS..Hα-helixtrans-61.6-42.4179.6176.20000111.6V21 R22 G27 L28 R29 V79 C186 L218V21-V25 HydrophobicContact CG1-CG2 4.1Å; V21-V25 VanDerWaalsContact O-CG2 3.24Å; V21-V25 WeakPolarHBondContact O-CG2 3.42Å; V21-V25 PolarHBondContact O-N 2.82Å; R22-V25 PolarHBondContact O-N 2.82Å; V25-G27 PolarHBondContact O-N 2.68Å; V25-L28 PolarHBondContact O-N 3.45Å; V25-L28 VanDerWaalsContact O-N 3.16Å; V25-R29 WeakPolarHBondContact O-CG 3.28Å; V25-R29 PolarHBondContact O-N 2.67Å; V25-V79 HydrophobicContact CG2-CG2 4.37Å; V25-C186 WeakPolarHBondContact CG2-SG 3.23Å; V25-L218 HydrophobicContact CB-CD2 4.26Å; V25-L218 HydrophobicContact CG1-CB 4.34Å; V25-L218 HydrophobicContact CG1-CD2 3.79Å; V25-L218 HydrophobicContact CG2-CD2 3.47Å; V25-L218 VanDerWaalsContact CG2-CD2 3.47Å
26Q86.5Confident72.1Confident76 Ų7677.8 Ų77.836%0.35541%0.409SS..Hα-helixtrans-59.7-44.4175-76.2170.96.400112R22 R23 R24 L28 R29 I30R22-Q26 WeakPolarHBondContact O-CB 3.37Å; R22-Q26 VanDerWaalsContact O-CG 3.24Å; R22-Q26 WeakPolarHBondContact O-CG 3.49Å; R22-Q26 PolarHBondContact O-N 2.84Å; R23-Q26 PolarHBondContact O-N 2.81Å; R24-Q26 PolarHBondContact O-N 2.79Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 3.48Å; Q26-R29 PolarHBondContact O-N 2.83Å; Q26-I30 WeakPolarHBondContact O-CG1 3.27Å; Q26-I30 PolarHBondContact O-N 2.88Å
27G81.5Confident70.6Confident39 Ų3974.1 Ų74.140%0.40240%0.4SS..Hα-helixtrans-60.7-37.5173.300000113.3R23 R24 V25 R193R23-G27 PolarHBondContact O-N 3.32Å; R24-G27 PolarHBondContact O-N 2.92Å; V25-G27 PolarHBondContact O-N 2.68Å; G27-R193 PolarHBondContact O-NH1 2.74Å
28L82.9Confident68.7Low11 Ų1176.5 Ų76.56%0.05842%0.415CS..Hα-helixtrans-70.6-27.5176-71.8171.8000113.6R24 V25 Q26 C186 L189 R193 F225R24-L28 WeakPolarHBondContact O-CG 3.43Å; R24-L28 PolarHBondContact O-N 3.02Å; V25-L28 PolarHBondContact O-N 3.45Å; V25-L28 VanDerWaalsContact O-N 3.16Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 3.48Å; L28-C186 HydrophobicContact CD1-CB 4.04Å; L28-L189 HydrophobicContact CD1-CB 3.9Å; L28-L189 HydrophobicContact CD1-CD1 4.37Å; L28-L189 HydrophobicContact CD2-CB 4.14Å; L28-R193 VanDerWaalsContact C-NH1 3.3Å; L28-R193 PolarHBondContact O-NH1 3.35Å; L28-F225 HydrophobicContact CB-CZ 4.27Å; L28-F225 HydrophobicContact CD2-CE1 4.36Å
29R83.2Confident66.5Low76 Ų7678.8 Ų78.829%0.28743%0.432SS..Hα-helixtrans-73.9-42.9175.8-71.2176.2-168.7154.74113.7V25 Q26 P31 L218 L220 N224V25-R29 WeakPolarHBondContact O-CG 3.28Å; V25-R29 PolarHBondContact O-N 2.67Å; Q26-R29 PolarHBondContact O-N 2.83Å; R29-P31 WeakPolarHBondContact O-CD 3.38Å; R29-L218 PolarHBondContact NE-O 3.17Å; R29-L218 PolarHBondContact NH2-O 3.48Å; R29-L220 HydrophobicContact CG-CD2 4.44Å; R29-N224 PolarHBondContact O-ND2 2.86Å
30I73.4Confident64.8Low110 Ų11083.1 Ų83.156%0.56446%0.458SS*.SBendtrans-73.9119.5-173.9-61.8165.7000110Q26 R193Q26-I30 WeakPolarHBondContact O-CG1 3.27Å; Q26-I30 PolarHBondContact O-N 2.88Å; I30-R193 PolarHBondContact O-NH1 3.29Å; I30-R193 PolarHBondContact O-NH2 3.41Å
31P55.5Low62.4Low84 Ų8486.3 Ų86.355%0.54549%0.489SS..  trans-61.3149174.1-21.934.6000112.2R29 S33R29-P31 WeakPolarHBondContact O-CD 3.38Å; P31-S33 VanDerWaalsContact C-N 3.29Å; P31-S33 PolarHBondContact O-N 2.82Å
32S53.7Low60.1Low99 Ų9991 Ų9169%0.69252%0.523SS*.SBendtrans-74.668.4-172.1-57.50000113.8R193S32-R193 PolarHBondContact OG-NH2 3.36Å
33S41.8Very low57.9Low116 Ų11690 Ų9081%0.81154%0.536SS*.  trans-114.65.9174.470.60000114.3P31P31-S33 VanDerWaalsContact C-N 3.29Å; P31-S33 PolarHBondContact O-N 2.82Å
34S41.6Very low56.2Low79 Ų7990 Ų9055%0.55255%0.552SS**  trans-133.5118.7169.2178.20000109.7Y36S34-Y36 PolarHBondContact O-N 3Å; S34-Y36 PolarHBondContact OG-N 2.92Å
35N41.8Very low54.5Low161 Ų16196.1 Ų96.186%0.86158%0.58SS**SBendtrans-82.610.9174.9-76.3-17.4000113.2
36Y39.8Very low53.1Low206 Ų20698.2 Ų98.281%0.80859%0.594SS**  trans-113.389.8174-80.9-86.5000111.3S34S34-Y36 PolarHBondContact O-N 3Å; S34-Y36 PolarHBondContact OG-N 2.92Å
37C38.7Very low52.1Low83 Ų8398.8 Ų98.856%0.56160%0.599SS**  trans-130.993.6163.1-169.80000108.4C39C37-C39 PolarHBondContact O-N 3.5Å
38P36.5Very low51.3Low116 Ų116100.5 Ų100.575%0.75360%0.599SS**THydrogen-bonded Turntrans-66.814-166.6-24.835.9000117.7
39C38Very low50.6Low93 Ų93103 Ų10363%0.62862%0.618SS**THydrogen-bonded Turntrans-124.59.4-168.9-56.20000114.8C37C37-C39 PolarHBondContact O-N 3.5Å
40T45Very low50.1Low93 Ų93106 Ų10657%0.57164%0.635SS**SBendtrans-123.927.2170.866.70000112.8
41A35.1Very low50.6Low93 Ų93101.9 Ų101.977%0.76961%0.614SS**  trans-90.81.8179.700000113.8G43A41-G43 PolarHBondContact O-N 3.23Å
42S38.6Very low52.1Low104 Ų104101.5 Ų101.573%0.72761%0.605SS**SBendtrans-71.8109.3164.641.90000109.5
43G41.3Very low53.8Low56 Ų5697.5 Ų97.558%0.57758%0.577SS**  trans-66.9133.1-174.800000113.6A41 K45A41-G43 PolarHBondContact O-N 3.23Å; G43-K45 PolarHBondContact O-N 3.01Å
44T51.4Low56Low144 Ų14492.3 Ų92.388%0.88354%0.541SS*.SBendtrans52.2-30.8159.955.50000120.9
45K50.7Low58.3Low178 Ų17896.4 Ų96.477%0.77454%0.544SS*.  trans-70.3140.8-179.6-66.3-172.1177.2-174.70111.1G43G43-K45 PolarHBondContact O-N 3.01Å
46P58.9Low60.7Low46 Ų4692 Ų9230%0.29952%0.52SS..  trans-66.3140.4165.928.8-32.9000110.7L48 R166P46-L48 VanDerWaalsContact C-N 3.31Å; P46-L48 HydrophobicContact CB-CD2 3.48Å; P46-L48 VanDerWaalsContact CB-CD2 3.48Å; P46-L48 HydrophobicContact CB-CG 3.93Å; P46-L48 HydrophobicContact CG-CD1 4.07Å; P46-L48 HydrophobicContact CG-CD2 3.6Å; P46-L48 HydrophobicContact CG-CG 3.74Å; P46-L48 PolarHBondContact O-N 3.47Å; P46-L48 VanDerWaalsContact O-N 3.13Å; P46-R166 VanDerWaalsContact CA-NH1 3.29Å
47D65.1Low63.3Low87 Ų8782.2 Ų82.247%0.46548%0.482SS..  trans-81.583.2166.617519.9000108.6K20 S49K20-D47 WeakPolarHBondContact CE-OD2 3.44Å; K20-D47 PolarHBondContact NZ-O 3.35Å; K20-D47 IonicContact NZ-OD1 3.05Å; K20-D47 PolarHBondContact NZ-OD1 2.85Å; K20-D47 IonicContact NZ-OD2 2.72Å; K20-D47 PolarHBondContact NZ-OD2 2.66Å; D47-S49 PolarHBondContact O-N 3.41Å; D47-S49 WeakPolarHBondContact OD1-CB 3.11Å; D47-S49 PolarHBondContact OD1-N 3.43Å; D47-S49 PolarHBondContact OD1-OG 3.14Å
48L64.1Low65.8Low75 Ų7578.9 Ų78.939%0.39346%0.46SS..  trans-77.35.4179.3-52.7177.9000113.2P46 D159P46-L48 VanDerWaalsContact C-N 3.31Å; P46-L48 HydrophobicContact CB-CD2 3.48Å; P46-L48 VanDerWaalsContact CB-CD2 3.48Å; P46-L48 HydrophobicContact CB-CG 3.93Å; P46-L48 HydrophobicContact CG-CD1 4.07Å; P46-L48 HydrophobicContact CG-CD2 3.6Å; P46-L48 HydrophobicContact CG-CG 3.74Å; P46-L48 PolarHBondContact O-N 3.47Å; P46-L48 VanDerWaalsContact O-N 3.13Å; L48-D159 HydrophobicContact CD1-CB 4.4Å; L48-D159 HydrophobicContact CD2-CB 4.03Å; L48-D159 WeakPolarHBondContact CD2-OD1 3.46Å
49S67.9Low68.5Low65 Ų6577.9 Ų77.946%0.45545%0.449SS..  trans-60.8142.1177610000111.7K20 D47 N51K20-S49 PolarHBondContact NZ-O 3.32Å; K20-S49 PolarHBondContact NZ-OG 3.27Å; D47-S49 PolarHBondContact O-N 3.41Å; D47-S49 WeakPolarHBondContact OD1-CB 3.11Å; D47-S49 PolarHBondContact OD1-N 3.43Å; D47-S49 PolarHBondContact OD1-OG 3.14Å; S49-N51 PolarHBondContact O-N 2.9Å
50H72.6Confident71.1Confident139 Ų13974.4 Ų74.464%0.64443%0.425SS*.  trans-58139.7174.5-57.8-73.5000110.7E52H50-E52 PolarHBondContact O-N 3.28Å; H50-E52 VanDerWaalsContact O-N 3.15Å
51N84.1Confident73.4Confident22 Ų2270 Ų7012%0.11840%0.398CS..  trans-82.393.4176.8-171.32.3000110.3S49 S53 A54 R55 E78S49-N51 PolarHBondContact O-N 2.9Å; N51-S53 VanDerWaalsContact C-N 3.33Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 PolarHBondContact OD1-N 3.18Å; N51-A54 HydrophobicContact CB-CB 3.94Å; N51-A54 WeakPolarHBondContact O-CB 3.38Å; N51-A54 PolarHBondContact O-N 3.39Å; N51-R55 PolarHBondContact O-N 3.29Å; N51-E78 PolarHBondContact ND2-OE2 2.85Å
52E86.8Confident76.1Confident77 Ų7769.9 Ų69.936%0.3638%0.384SS..Hα-helixtrans-57.5-43-177.8-17057.3-150.700112.7H50 A54 R55 L56H50-E52 PolarHBondContact O-N 3.28Å; H50-E52 VanDerWaalsContact O-N 3.15Å; E52-A54 PolarHBondContact O-N 3.01Å; E52-R55 WeakPolarHBondContact O-CA 3.5Å; E52-R55 WeakPolarHBondContact O-CB 3.22Å; E52-R55 PolarHBondContact O-N 3.35Å; E52-R55 IonicContact OE1-CZ 2.76Å; E52-R55 VanDerWaalsContact OE1-CZ 3.29Å; E52-R55 IonicContact OE1-NE 2.73Å; E52-R55 PolarHBondContact OE1-NE 2.69Å; E52-R55 IonicContact OE1-NH2 3.67Å; E52-R55 PolarHBondContact OE1-NH2 3.09Å; E52-R55 IonicContact OE2-CZ 2.74Å; E52-R55 VanDerWaalsContact OE2-CZ 3.23Å; E52-R55 IonicContact OE2-NE 3.74Å; E52-R55 PolarHBondContact OE2-NE 3.28Å; E52-R55 IonicContact OE2-NH2 2.92Å; E52-R55 PolarHBondContact OE2-NH2 3.12Å; E52-L56 HydrophobicContact CG-CD1 4.22Å; E52-L56 HydrophobicContact CG-CG 4.4Å; E52-L56 WeakPolarHBondContact O-CG 3.35Å; E52-L56 PolarHBondContact O-N 3.15Å
53S89.3Confident78.6Confident15 Ų1568.3 Ų68.311%0.10537%0.373CS..Hα-helixtrans-61-28.8177.2-51.40000112.7N51 A57 E76N51-S53 VanDerWaalsContact C-N 3.33Å; N51-S53 PolarHBondContact O-N 2.99Å; N51-S53 PolarHBondContact OD1-N 3.18Å; S53-A57 WeakPolarHBondContact O-CB 3.32Å; S53-A57 PolarHBondContact O-N 3.48Å; S53-E76 WeakPolarHBondContact CB-OE2 3.26Å; S53-E76 PolarHBondContact OG-OE2 3.43Å
54A89.4Confident80.9Confident7 Ų771.1 Ų71.16%0.05837%0.371CS..Hα-helixtrans-78.4-35.4172.800000112.3N51 E52 A57 A58 F81N51-A54 HydrophobicContact CB-CB 3.94Å; N51-A54 WeakPolarHBondContact O-CB 3.38Å; N51-A54 PolarHBondContact O-N 3.39Å; E52-A54 PolarHBondContact O-N 3.01Å; A54-A57 PolarHBondContact O-N 3.17Å; A54-A58 WeakPolarHBondContact O-CB 3.33Å; A54-A58 PolarHBondContact O-N 2.94Å; A54-F81 HydrophobicContact CB-CD1 4.06Å; A54-F81 HydrophobicContact CB-CD2 4.48Å; A54-F81 HydrophobicContact CB-CE1 3.65Å; A54-F81 HydrophobicContact CB-CE2 4.1Å; A54-F81 HydrophobicContact CB-CG 4.47Å; A54-F81 HydrophobicContact CB-CZ 3.68Å; A54-F81 VanDerWaalsContact O-CZ 3.28Å; A54-F81 WeakPolarHBondContact O-CZ 3.39Å
55R90.4Very high82.8Confident165 Ų16565.1 Ų65.162%0.62334%0.338SS*.Hα-helixtrans-62.8-48.7173.3-173.7172.572.91564111.3N51 E52 A57 A58 D59N51-R55 PolarHBondContact O-N 3.29Å; E52-R55 WeakPolarHBondContact O-CA 3.5Å; E52-R55 WeakPolarHBondContact O-CB 3.22Å; E52-R55 PolarHBondContact O-N 3.35Å; E52-R55 IonicContact OE1-CZ 2.76Å; E52-R55 VanDerWaalsContact OE1-CZ 3.29Å; E52-R55 IonicContact OE1-NE 2.73Å; E52-R55 PolarHBondContact OE1-NE 2.69Å; E52-R55 IonicContact OE1-NH2 3.67Å; E52-R55 PolarHBondContact OE1-NH2 3.09Å; E52-R55 IonicContact OE2-CZ 2.74Å; E52-R55 VanDerWaalsContact OE2-CZ 3.23Å; E52-R55 IonicContact OE2-NE 3.74Å; E52-R55 PolarHBondContact OE2-NE 3.28Å; E52-R55 IonicContact OE2-NH2 2.92Å; E52-R55 PolarHBondContact OE2-NH2 3.12Å; R55-A57 VanDerWaalsContact C-N 3.3Å; R55-A57 PolarHBondContact O-N 3.19Å; R55-A58 PolarHBondContact O-N 2.89Å; R55-D59 PolarHBondContact O-N 2.78Å
56L92Very high84.8Confident69 Ų6959.4 Ų59.436%0.36132%0.316SS..Hα-helixtrans-60.6-38.1175.8-66.2172.5000112.2E52 C60 V72E52-L56 HydrophobicContact CG-CD1 4.22Å; E52-L56 HydrophobicContact CG-CG 4.4Å; E52-L56 WeakPolarHBondContact O-CG 3.35Å; E52-L56 PolarHBondContact O-N 3.15Å; L56-C60 PolarHBondContact O-N 3.06Å; L56-V72 HydrophobicContact CB-CG1 4.06Å
57A93.4Very high86.4Confident0 Ų062.6 Ų62.60%033%0.33CS..Hα-helixtrans-66.3-44.2174.900000111.6S53 A54 R55 C60 L61 Y69 V72 L73 F81S53-A57 WeakPolarHBondContact O-CB 3.32Å; S53-A57 PolarHBondContact O-N 3.48Å; A54-A57 PolarHBondContact O-N 3.17Å; R55-A57 VanDerWaalsContact C-N 3.3Å; R55-A57 PolarHBondContact O-N 3.19Å; A57-C60 CarbonylContact O-C 3.56Å; A57-C60 PolarHBondContact O-N 2.79Å; A57-L61 PolarHBondContact O-N 2.82Å; A57-Y69 HydrophobicContact CB-CD2 3.86Å; A57-Y69 HydrophobicContact CB-CE2 3.78Å; A57-Y69 WeakPolarHBondContact O-CD2 3.31Å; A57-V72 HydrophobicContact CB-CB 4.33Å; A57-V72 HydrophobicContact CB-CG1 4.03Å; A57-L73 HydrophobicContact CB-CD2 4.08Å; A57-L73 HydrophobicContact CB-CG 4.37Å; A57-F81 HydrophobicContact CB-CE1 3.82Å; A57-F81 HydrophobicContact CB-CZ 4.11Å
58A91.5Very high87.7Confident12 Ų1258.7 Ų58.710%0.09931%0.31CS..Hα-helixtrans-63.7-39.2177.400000112.8A54 R55 L61 L62 W271A54-A58 WeakPolarHBondContact O-CB 3.33Å; A54-A58 PolarHBondContact O-N 2.94Å; R55-A58 PolarHBondContact O-N 2.89Å; A58-L61 WeakPolarHBondContact O-CB 3.31Å; A58-L61 PolarHBondContact O-N 2.79Å; A58-L62 PolarHBondContact O-N 3.09Å; A58-W271 HydrophobicContact CB-CH2 4.04Å; A58-W271 HydrophobicContact CB-CZ2 4.09Å
59D92.6Very high89.1Confident96 Ų9655.1 Ų55.151%0.51329%0.292SS..Hα-helixtrans-60.7-43.7172.5177.482.1000112.3R55 L61 L62 S63R55-D59 PolarHBondContact O-N 2.78Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 2.85Å; D59-L62 PolarHBondContact O-N 3.02Å; D59-S63 PolarHBondContact O-N 3.07Å; D59-S63 PolarHBondContact O-OG 3.25Å
60C92.7Very high90.4Very high19 Ų1957.2 Ų57.213%0.12829%0.289CS..Hα-helixtrans-73.3-20.2173.5-730000114L56 A57 Q64 G65 V72L56-C60 PolarHBondContact O-N 3.06Å; A57-C60 CarbonylContact O-C 3.56Å; A57-C60 PolarHBondContact O-N 2.79Å; C60-Q64 CarbonylContact O-C 3.44Å; C60-Q64 WeakPolarHBondContact O-CA 3.47Å; C60-Q64 WeakPolarHBondContact O-CB 3.26Å; C60-Q64 PolarHBondContact O-N 2.81Å; C60-Q64 PolarHBondContact SG-NE2 2.75Å; C60-G65 PolarHBondContact O-N 3.08Å; C60-V72 HydrophobicContact CB-CG2 3.64Å; C60-V72 VanDerWaalsContact SG-CG2 3.55Å
61L92.9Very high91.3Very high0 Ų056.8 Ų56.80%029%0.288CS..Hα-helixtrans-71.3-40.9169.7-179.659.3000111.1A57 A58 D59 G65 L66 Y69 L82 K87 V90 L91A57-L61 PolarHBondContact O-N 2.82Å; A58-L61 WeakPolarHBondContact O-CB 3.31Å; A58-L61 PolarHBondContact O-N 2.79Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 2.85Å; L61-G65 VanDerWaalsContact O-CA 3.23Å; L61-G65 WeakPolarHBondContact O-CA 3.29Å; L61-G65 PolarHBondContact O-N 3.03Å; L61-G65 VanDerWaalsContact O-N 3.12Å; L61-L66 HydrophobicContact CD1-CD2 3.95Å; L61-Y69 HydrophobicContact CB-CD2 3.87Å; L61-Y69 HydrophobicContact CB-CG 4.27Å; L61-Y69 HydrophobicContact CD1-CG 4.32Å; L61-Y69 HydrophobicContact CD2-CD2 4.27Å; L61-Y69 HydrophobicContact CG-CD2 4.49Å; L61-L82 HydrophobicContact CD2-CD1 3.47Å; L61-L82 VanDerWaalsContact CD2-CD1 3.47Å; L61-K87 HydrophobicContact CD2-CG 4.36Å; L61-V90 HydrophobicContact CD2-CB 3.97Å; L61-V90 HydrophobicContact CD2-CG1 3.78Å; L61-V90 HydrophobicContact CG-CG1 4.03Å; L61-L91 HydrophobicContact CD1-CD1 4.15Å; L61-L91 HydrophobicContact CD1-CD2 3.9Å; L61-L91 HydrophobicContact CD1-CG 4.04Å; L61-L91 HydrophobicContact CG-CD2 4.3Å; L61-L91 HydrophobicContact CG-CG 4.46Å; L61-L91 WeakPolarHBondContact O-CD2 3.46Å
62L91.9Very high91.8Very high92 Ų9256.8 Ų56.848%0.48229%0.289SS..Hα-helixtrans-66.8-50.2175.7-71.3165.5000111.3A58 D59 V90A58-L62 PolarHBondContact O-N 3.09Å; D59-L62 PolarHBondContact O-N 3.02Å; L62-V90 HydrophobicContact CD2-CG1 3.66Å; L62-V90 HydrophobicContact CG-CG1 3.99Å
63S91.1Very high92Very high70 Ų7053.7 Ų53.749%0.4927%0.274SS..Hα-helixtrans-84-27.5-172.958.30000115.6D59D59-S63 PolarHBondContact O-N 3.07Å; D59-S63 PolarHBondContact O-OG 3.25Å
64Q90.1Very high92.2Very high115 Ų11559.8 Ų59.854%0.53730%0.301SS..Hα-helixtrans-132.86.2-172.3-67.8165.573.600113.5C60C60-Q64 CarbonylContact O-C 3.44Å; C60-Q64 WeakPolarHBondContact O-CA 3.47Å; C60-Q64 WeakPolarHBondContact O-CB 3.26Å; C60-Q64 PolarHBondContact O-N 2.81Å; C60-Q64 PolarHBondContact SG-NE2 2.75Å
65G91.6Very high92.2Very high19 Ų1962.4 Ų62.420%0.19632%0.323CS..Hα-helixtrans67.5-161.8176.900000114.9C60 L61 D67 G68 Y69C60-G65 PolarHBondContact O-N 3.08Å; L61-G65 VanDerWaalsContact O-CA 3.23Å; L61-G65 WeakPolarHBondContact O-CA 3.29Å; L61-G65 PolarHBondContact O-N 3.03Å; L61-G65 VanDerWaalsContact O-N 3.12Å; G65-D67 VanDerWaalsContact C-N 3.25Å; G65-D67 PolarHBondContact O-N 2.96Å; G65-G68 PolarHBondContact O-N 2.8Å; G65-Y69 PolarHBondContact O-N 3.2Å
66L92.9Very high92.2Very high58 Ų5857.2 Ų57.230%0.30431%0.306SS..Hα-helixtrans-59.8-31.2-172.8-65.5174.1000114L61 R70 K87 L91L61-L66 HydrophobicContact CD1-CD2 3.95Å; L66-R70 WeakPolarHBondContact O-CB 3.23Å; L66-R70 WeakPolarHBondContact O-CD 3.32Å; L66-R70 WeakPolarHBondContact O-CG 3.47Å; L66-R70 PolarHBondContact O-N 3.42Å; L66-R70 VanDerWaalsContact O-N 3.1Å; L66-K87 HydrophobicContact CD2-CB 4.01Å; L66-K87 HydrophobicContact CD2-CD 4.29Å; L66-K87 HydrophobicContact CD2-CG 4.24Å; L66-L91 HydrophobicContact CD2-CD1 3.85Å; L66-L91 HydrophobicContact CG-CD1 3.89Å
67D92.9Very high92Very high112 Ų11254 Ų5460%0.59929%0.29SS*.Hα-helixtrans-84-34.3-176.6-65.2-34.1000112G65 R70 Q71G65-D67 VanDerWaalsContact C-N 3.25Å; G65-D67 PolarHBondContact O-N 2.96Å; D67-R70 PolarHBondContact O-N 3.04Å; D67-R70 IonicContact OD1-NH1 2.7Å; D67-R70 PolarHBondContact OD1-NH1 2.73Å; D67-Q71 WeakPolarHBondContact O-CB 3.31Å; D67-Q71 PolarHBondContact O-N 2.97Å
68G92.2Very high91.9Very high5 Ų554.1 Ų54.15%0.05229%0.29CS..Hα-helixtrans-61.2-46.4166.500000112.1G65 R70 Q71 V72G65-G68 PolarHBondContact O-N 2.8Å; G68-R70 PolarHBondContact O-N 3.49Å; G68-Q71 PolarHBondContact O-N 3.25Å; G68-Q71 VanDerWaalsContact O-N 3.12Å; G68-V72 PolarHBondContact O-N 2.81Å
69Y93.8Very high91.9Very high1 Ų154.2 Ų54.20%0.00429%0.289CS..Hα-helixtrans-51.7-52172.3179.9-105.4000112.1A57 L61 G65 Q71 V72 L73 D80 F81 L82A57-Y69 HydrophobicContact CB-CD2 3.86Å; A57-Y69 HydrophobicContact CB-CE2 3.78Å; A57-Y69 WeakPolarHBondContact O-CD2 3.31Å; L61-Y69 HydrophobicContact CB-CD2 3.87Å; L61-Y69 HydrophobicContact CB-CG 4.27Å; L61-Y69 HydrophobicContact CD1-CG 4.32Å; L61-Y69 HydrophobicContact CD2-CD2 4.27Å; L61-Y69 HydrophobicContact CG-CD2 4.49Å; G65-Y69 PolarHBondContact O-N 3.2Å; Y69-Q71 VanDerWaalsContact C-N 3.31Å; Y69-Q71 PolarHBondContact O-N 3.26Å; Y69-V72 PolarHBondContact O-N 2.89Å; Y69-L73 HydrophobicContact CD1-CD1 3.93Å; Y69-L73 HydrophobicContact CE1-CD1 3.38Å; Y69-L73 HydrophobicContact CE1-CG 4.31Å; Y69-L73 HydrophobicContact CE2-CD1 4.38Å; Y69-L73 WeakPolarHBondContact O-CG 3.48Å; Y69-L73 PolarHBondContact O-N 3.08Å; Y69-L73 VanDerWaalsContact O-N 3.07Å; Y69-D80 PolarHBondContact OH-OD1 2.94Å; Y69-D80 VanDerWaalsContact OH-OD1 3.09Å; Y69-F81 AromaticContact CE2-CE1 3.78Å; Y69-F81 HydrophobicContact CE2-CE1 3.78Å; Y69-F81 AromaticContact CE2-CZ 3.77Å; Y69-F81 HydrophobicContact CE2-CZ 3.77Å; Y69-F81 AromaticContact CZ-CE1 3.97Å; Y69-F81 WeakPolarHBondContact OH-CD1 3.43Å; Y69-F81 VanDerWaalsContact OH-CE1 3.32Å; Y69-F81 WeakPolarHBondContact OH-CE1 3.47Å; Y69-F81 PolarHBondContact OH-N 2.91Å; Y69-L82 HydrophobicContact CD2-CD1 4.48Å; Y69-L82 HydrophobicContact CE2-CD1 3.7Å; Y69-L82 HydrophobicContact CE2-CG 4.3Å
70R93.3Very high91.8Very high108 Ų10851.4 Ų51.441%0.40827%0.274SS..Hα-helixtrans-63.7-32.8178.1-73.9165.1179.21560.2113.2L66 D67 G68 Q74L66-R70 WeakPolarHBondContact O-CB 3.23Å; L66-R70 WeakPolarHBondContact O-CD 3.32Å; L66-R70 WeakPolarHBondContact O-CG 3.47Å; L66-R70 PolarHBondContact O-N 3.42Å; L66-R70 VanDerWaalsContact O-N 3.1Å; D67-R70 PolarHBondContact O-N 3.04Å; D67-R70 IonicContact OD1-NH1 2.7Å; D67-R70 PolarHBondContact OD1-NH1 2.73Å; G68-R70 PolarHBondContact O-N 3.49Å; R70-Q74 VanDerWaalsContact O-CG 3.31Å; R70-Q74 WeakPolarHBondContact O-CG 3.41Å; R70-Q74 PolarHBondContact O-N 3.22Å; R70-Q74 PolarHBondContact O-NE2 3.21Å; R70-Q74 VanDerWaalsContact O-NE2 3.1Å
71Q93.4Very high91.7Very high130 Ų13051 Ų5161%0.60727%0.271SS*.Hα-helixtrans-69.4-44.6177.2-172.3173.93.800111.2D67 G68 Y69 Q74 A75D67-Q71 WeakPolarHBondContact O-CB 3.31Å; D67-Q71 PolarHBondContact O-N 2.97Å; G68-Q71 PolarHBondContact O-N 3.25Å; G68-Q71 VanDerWaalsContact O-N 3.12Å; Y69-Q71 VanDerWaalsContact C-N 3.31Å; Y69-Q71 PolarHBondContact O-N 3.26Å; Q71-Q74 PolarHBondContact O-N 3.23Å; Q71-A75 WeakPolarHBondContact O-CB 3.43Å; Q71-A75 PolarHBondContact O-N 2.99Å
72V93.3Very high91.7Very high23 Ų2351.3 Ų51.314%0.13927%0.272CS..Hα-helixtrans-63.9-45.5176.5177.40000111.4L56 A57 C60 G68 Y69 Q74 A75 E76L56-V72 HydrophobicContact CB-CG1 4.06Å; A57-V72 HydrophobicContact CB-CB 4.33Å; A57-V72 HydrophobicContact CB-CG1 4.03Å; C60-V72 HydrophobicContact CB-CG2 3.64Å; C60-V72 VanDerWaalsContact SG-CG2 3.55Å; G68-V72 PolarHBondContact O-N 2.81Å; Y69-V72 PolarHBondContact O-N 2.89Å; V72-Q74 PolarHBondContact O-N 2.76Å; V72-Q74 VanDerWaalsContact O-N 3.16Å; V72-A75 PolarHBondContact O-N 2.82Å; V72-A75 VanDerWaalsContact O-N 3.08Å; V72-E76 HydrophobicContact CG1-CG 3.94Å; V72-E76 WeakPolarHBondContact O-CB 3.25Å; V72-E76 PolarHBondContact O-N 2.82Å
73L92.4Very high91.6Very high11 Ų1148.2 Ų48.26%0.05826%0.258CS..Hα-helixtrans-58.4-29.4175.7-71.5-178.2000113.7R22 A57 Y69 G77 E78 V79 D80 F81R22-L73 PolarHBondContact NH2-O 2.9Å; A57-L73 HydrophobicContact CB-CD2 4.08Å; A57-L73 HydrophobicContact CB-CG 4.37Å; Y69-L73 HydrophobicContact CD1-CD1 3.93Å; Y69-L73 HydrophobicContact CE1-CD1 3.38Å; Y69-L73 HydrophobicContact CE1-CG 4.31Å; Y69-L73 HydrophobicContact CE2-CD1 4.38Å; Y69-L73 WeakPolarHBondContact O-CG 3.48Å; Y69-L73 PolarHBondContact O-N 3.08Å; Y69-L73 VanDerWaalsContact O-N 3.07Å; L73-G77 CarbonylContact O-C 3.54Å; L73-G77 VanDerWaalsContact O-CA 3.3Å; L73-G77 WeakPolarHBondContact O-CA 3.26Å; L73-G77 PolarHBondContact O-N 3.35Å; L73-G77 VanDerWaalsContact O-N 3.16Å; L73-E78 HydrophobicContact CD2-CB 4.03Å; L73-E78 HydrophobicContact CD2-CG 4.41Å; L73-E78 PolarHBondContact O-N 3.45Å; L73-E78 VanDerWaalsContact O-N 3.07Å; L73-V79 WeakPolarHBondContact CD2-O 3.34Å; L73-D80 HydrophobicContact CD1-CB 4Å; L73-F81 HydrophobicContact CD2-CD1 4.11Å; L73-F81 HydrophobicContact CD2-CE1 3.99Å
74Q91.4Very high91.6Very high143 Ų14349.8 Ų49.867%0.66826%0.258SS*.Hα-helixtrans-80.8-38.9174.2-74.2175.16700112.6R70 Q71 V72R70-Q74 VanDerWaalsContact O-CG 3.31Å; R70-Q74 WeakPolarHBondContact O-CG 3.41Å; R70-Q74 PolarHBondContact O-N 3.22Å; R70-Q74 PolarHBondContact O-NE2 3.21Å; R70-Q74 VanDerWaalsContact O-NE2 3.1Å; Q71-Q74 PolarHBondContact O-N 3.23Å; V72-Q74 PolarHBondContact O-N 2.76Å; V72-Q74 VanDerWaalsContact O-N 3.16Å
75A91.3Very high91.6Very high62 Ų6250.2 Ų50.251%0.51226%0.263SS..Hα-helixtrans-67.9-49.1178.900000112.3P17 Q71 V72 G77P17-A75 WeakPolarHBondContact CD-O 3.33Å; P17-A75 WeakPolarHBondContact CG-O 3.35Å; Q71-A75 WeakPolarHBondContact O-CB 3.43Å; Q71-A75 PolarHBondContact O-N 2.99Å; V72-A75 PolarHBondContact O-N 2.82Å; V72-A75 VanDerWaalsContact O-N 3.08Å; A75-G77 VanDerWaalsContact C-N 3.29Å
76E90.3Very high91.6Very high57 Ų5749.6 Ų49.627%0.26626%0.255SS..THydrogen-bonded Turntrans-76.5-16.7175.9-71.7-65.4103.600113.2P17 G19 S53 V72 E78P17-E76 CarbonylContact C-O 3.57Å; G19-E76 PolarHBondContact N-O 2.92Å; S53-E76 WeakPolarHBondContact CB-OE2 3.26Å; S53-E76 PolarHBondContact OG-OE2 3.43Å; V72-E76 HydrophobicContact CG1-CG 3.94Å; V72-E76 WeakPolarHBondContact O-CB 3.25Å; V72-E76 PolarHBondContact O-N 2.82Å; E76-E78 PolarHBondContact O-N 2.74Å
77G87.6Confident91.6Very high2 Ų247.1 Ų47.12%0.02124%0.242CC..THydrogen-bonded Turntrans61.741.3-177.400000113G19 R22 L73 A75G19-G77 PolarHBondContact N-O 2.93Å; R22-G77 WeakPolarHBondContact CB-O 3.32Å; R22-G77 WeakPolarHBondContact CD-O 3.29Å; R22-G77 VanDerWaalsContact CZ-O 3.27Å; R22-G77 PolarHBondContact NE-O 2.85Å; L73-G77 CarbonylContact O-C 3.54Å; L73-G77 VanDerWaalsContact O-CA 3.3Å; L73-G77 WeakPolarHBondContact O-CA 3.26Å; L73-G77 PolarHBondContact O-N 3.35Å; L73-G77 VanDerWaalsContact O-N 3.16Å; A75-G77 VanDerWaalsContact C-N 3.29Å
78E90.9Very high91.5Very high1 Ų147 Ų471%0.00524%0.241CC..PPolyproline II helixtrans-97.1161.9176.3-171.454.1-65.600111.5G19 K20 V21 R22 N51 L73 E76G19-E78 VanDerWaalsContact C-OE2 3.28Å; K20-E78 PolarHBondContact N-OE2 2.82Å; V21-E78 WeakPolarHBondContact CA-OE1 3.2Å; V21-E78 WeakPolarHBondContact CB-OE1 3.48Å; V21-E78 PolarHBondContact N-OE1 2.95Å; V21-E78 PolarHBondContact N-OE2 2.8Å; R22-E78 VanDerWaalsContact CZ-O 3.32Å; R22-E78 PolarHBondContact N-OE1 2.98Å; R22-E78 PolarHBondContact NE-O 2.82Å; R22-E78 PolarHBondContact NH2-O 3.24Å; N51-E78 PolarHBondContact ND2-OE2 2.85Å; L73-E78 HydrophobicContact CD2-CB 4.03Å; L73-E78 HydrophobicContact CD2-CG 4.41Å; L73-E78 PolarHBondContact O-N 3.45Å; L73-E78 VanDerWaalsContact O-N 3.07Å; E76-E78 PolarHBondContact O-N 2.74Å
79V91.3Very high91.5Very high15 Ų1550.8 Ų50.89%0.09125%0.254CS..PPolyproline II helixtrans-74.2150.7171.1-157.90000110V21 R22 V25 L73 F81 L218V21-V79 HydrophobicContact CB-CG2 4.27Å; V21-V79 HydrophobicContact CG1-CG2 4.26Å; R22-V79 HydrophobicContact CB-CG2 3.74Å; R22-V79 HydrophobicContact CG-CG2 4.17Å; V25-V79 HydrophobicContact CG2-CG2 4.37Å; L73-V79 WeakPolarHBondContact CD2-O 3.34Å; V79-F81 PolarHBondContact O-N 2.79Å; V79-L218 HydrophobicContact CB-CD2 4.4Å; V79-L218 HydrophobicContact CG1-CD2 3.66Å; V79-L218 HydrophobicContact CG1-CG 4.46Å; V79-L218 HydrophobicContact CG2-CD2 4.08Å
80D91.4Very high91.4Very high37 Ų3751.5 Ų51.520%0.19826%0.259CS..PPolyproline II helixtrans-53.6136.7155.8-155.4-38.5000109.7Y69 L73 L82 K87Y69-D80 PolarHBondContact OH-OD1 2.94Å; Y69-D80 VanDerWaalsContact OH-OD1 3.09Å; L73-D80 HydrophobicContact CD1-CB 4Å; D80-L82 PolarHBondContact OD1-N 3.08Å; D80-K87 VanDerWaalsContact OD1-CE 3.32Å; D80-K87 WeakPolarHBondContact OD1-CE 3.38Å; D80-K87 IonicContact OD1-NZ 2.64Å; D80-K87 PolarHBondContact OD1-NZ 2.63Å; D80-K87 WeakPolarHBondContact OD2-CE 3.43Å; D80-K87 IonicContact OD2-NZ 2.7Å; D80-K87 PolarHBondContact OD2-NZ 2.7Å
81F90.4Very high91.3Very high11 Ų1149.9 Ų49.95%0.04826%0.258CS..  trans-136.83.7-171.465.3-93.5000112.8A54 A57 Y69 L73 V79 P182 W271A54-F81 HydrophobicContact CB-CD1 4.06Å; A54-F81 HydrophobicContact CB-CD2 4.48Å; A54-F81 HydrophobicContact CB-CE1 3.65Å; A54-F81 HydrophobicContact CB-CE2 4.1Å; A54-F81 HydrophobicContact CB-CG 4.47Å; A54-F81 HydrophobicContact CB-CZ 3.68Å; A54-F81 VanDerWaalsContact O-CZ 3.28Å; A54-F81 WeakPolarHBondContact O-CZ 3.39Å; A57-F81 HydrophobicContact CB-CE1 3.82Å; A57-F81 HydrophobicContact CB-CZ 4.11Å; Y69-F81 AromaticContact CE2-CE1 3.78Å; Y69-F81 HydrophobicContact CE2-CE1 3.78Å; Y69-F81 AromaticContact CE2-CZ 3.77Å; Y69-F81 HydrophobicContact CE2-CZ 3.77Å; Y69-F81 AromaticContact CZ-CE1 3.97Å; Y69-F81 WeakPolarHBondContact OH-CD1 3.43Å; Y69-F81 VanDerWaalsContact OH-CE1 3.32Å; Y69-F81 WeakPolarHBondContact OH-CE1 3.47Å; Y69-F81 PolarHBondContact OH-N 2.91Å; L73-F81 HydrophobicContact CD2-CD1 4.11Å; L73-F81 HydrophobicContact CD2-CE1 3.99Å; V79-F81 PolarHBondContact O-N 2.79Å; F81-P182 HydrophobicContact CB-CG 3.79Å; F81-W271 HydrophobicContact CD2-CB 4.42Å; F81-W271 AromaticContact CD2-CD1 3.46Å; F81-W271 VanDerWaalsContact CD2-CD1 3.46Å; F81-W271 HydrophobicContact CD2-CD2 4.37Å; F81-W271 AromaticContact CD2-CG 3.86Å; F81-W271 HydrophobicContact CD2-CG 3.86Å; F81-W271 AromaticContact CD2-NE1 3.73Å; F81-W271 AromaticContact CE2-CD1 3.69Å; F81-W271 HydrophobicContact CE2-CD2 4.08Å; F81-W271 AromaticContact CE2-CE2 3.72Å; F81-W271 HydrophobicContact CE2-CG 4.05Å; F81-W271 HydrophobicContact CE2-CZ2 4.31Å; F81-W271 AromaticContact CE2-NE1 3.46Å
82L91.4Very high91.2Very high6 Ų651.5 Ų51.53%0.03127%0.265CS..SBendtrans-117.2127.5176-60.5177.3000108.3L61 Y69 D80 E86 K87 W271L61-L82 HydrophobicContact CD2-CD1 3.47Å; L61-L82 VanDerWaalsContact CD2-CD1 3.47Å; Y69-L82 HydrophobicContact CD2-CD1 4.48Å; Y69-L82 HydrophobicContact CE2-CD1 3.7Å; Y69-L82 HydrophobicContact CE2-CG 4.3Å; D80-L82 PolarHBondContact OD1-N 3.08Å; L82-E86 HydrophobicContact CB-CB 4.2Å; L82-E86 HydrophobicContact CD2-CB 4.25Å; L82-K87 HydrophobicContact CB-CD 4.32Å; L82-K87 HydrophobicContact CB-CG 3.75Å; L82-K87 HydrophobicContact CD1-CG 4.15Å; L82-K87 VanDerWaalsContact O-CE 3.23Å; L82-K87 WeakPolarHBondContact O-CE 3.5Å; L82-K87 PolarHBondContact O-NZ 2.91Å; L82-W271 HydrophobicContact CD2-CB 3.72Å; L82-W271 HydrophobicContact CD2-CD2 3.51Å; L82-W271 HydrophobicContact CD2-CE3 3.43Å; L82-W271 VanDerWaalsContact CD2-CE3 3.43Å; L82-W271 HydrophobicContact CD2-CG 3.65Å; L82-W271 HydrophobicContact CD2-CZ3 4.2Å
83S91.1Very high91Very high27 Ų2754.6 Ų54.619%0.18928%0.281CS..  trans-63.3160.3165.464.70000110.9L85 E86 K87S83-L85 PolarHBondContact O-N 2.83Å; S83-E86 VanDerWaalsContact CB-OE2 3.27Å; S83-E86 WeakPolarHBondContact CB-OE2 3.39Å; S83-E86 PolarHBondContact N-OE2 2.89Å; S83-E86 PolarHBondContact O-N 2.82Å; S83-E86 WeakPolarHBondContact OG-CG 3.35Å; S83-E86 PolarHBondContact OG-N 3.15Å; S83-E86 PolarHBondContact OG-OE2 2.79Å; S83-K87 PolarHBondContact O-N 2.79Å
84E90.3Very high90.5Very high102 Ų10255.8 Ų55.848%0.47730%0.296SS..Hα-helixtrans-58.3-30177-61.3-60.1109.500112.4K87 L88E84-K87 WeakPolarHBondContact OE1-CD 3.23Å; E84-K87 WeakPolarHBondContact OE1-CE 3.38Å; E84-K87 IonicContact OE1-NZ 2.7Å; E84-K87 PolarHBondContact OE1-NZ 2.91Å; E84-L88 WeakPolarHBondContact O-CB 3.37Å; E84-L88 VanDerWaalsContact O-CG 3.23Å; E84-L88 WeakPolarHBondContact O-CG 3.48Å; E84-L88 PolarHBondContact O-N 2.89Å
85L89.2Confident89.9Confident124 Ų12458.3 Ų58.365%0.64930%0.299SS*.Hα-helixtrans-67.6-40.7173.3-62.2178.7000112.2S83 L88 Y89S83-L85 PolarHBondContact O-N 2.83Å; L85-L88 PolarHBondContact O-N 3.17Å; L85-Y89 WeakPolarHBondContact O-CB 3.41Å; L85-Y89 PolarHBondContact O-N 3.31Å
86E91.9Very high88.9Confident6 Ų660.6 Ų60.63%0.02830%0.303CS..Hα-helixtrans-69.8-39.5177-67.3165.696.800111.5L82 S83 Y89 V90 S180 T270 W271 L272L82-E86 HydrophobicContact CB-CB 4.2Å; L82-E86 HydrophobicContact CD2-CB 4.25Å; S83-E86 VanDerWaalsContact CB-OE2 3.27Å; S83-E86 WeakPolarHBondContact CB-OE2 3.39Å; S83-E86 PolarHBondContact N-OE2 2.89Å; S83-E86 PolarHBondContact O-N 2.82Å; S83-E86 WeakPolarHBondContact OG-CG 3.35Å; S83-E86 PolarHBondContact OG-N 3.15Å; S83-E86 PolarHBondContact OG-OE2 2.79Å; E86-Y89 PolarHBondContact O-N 3.4Å; E86-V90 WeakPolarHBondContact O-CG2 3.27Å; E86-V90 PolarHBondContact O-N 3.24Å; E86-S180 VanDerWaalsContact OE2-CB 3.25Å; E86-S180 WeakPolarHBondContact OE2-CB 3.4Å; E86-S180 PolarHBondContact OE2-OG 2.64Å; E86-T270 WeakPolarHBondContact OE1-CB 3.32Å; E86-W271 WeakPolarHBondContact OE1-CA 3.37Å; E86-W271 WeakPolarHBondContact OE1-CB 3.49Å; E86-W271 PolarHBondContact OE1-N 3.48Å; E86-L272 HydrophobicContact CB-CD1 4.04Å; E86-L272 HydrophobicContact CB-CG 4.17Å; E86-L272 HydrophobicContact CG-CD1 3.78Å; E86-L272 HydrophobicContact CG-CG 3.92Å; E86-L272 PolarHBondContact OE1-N 3.25Å
87K92.8Very high87.6Confident6 Ų663.1 Ų63.13%0.02633%0.333CS..Hα-helixtrans-58.7-47.2172.3-74155.1174.3147.80111.4L61 L66 D80 L82 S83 E84 V90 L91L61-K87 HydrophobicContact CD2-CG 4.36Å; L66-K87 HydrophobicContact CD2-CB 4.01Å; L66-K87 HydrophobicContact CD2-CD 4.29Å; L66-K87 HydrophobicContact CD2-CG 4.24Å; D80-K87 VanDerWaalsContact OD1-CE 3.32Å; D80-K87 WeakPolarHBondContact OD1-CE 3.38Å; D80-K87 IonicContact OD1-NZ 2.64Å; D80-K87 PolarHBondContact OD1-NZ 2.63Å; D80-K87 WeakPolarHBondContact OD2-CE 3.43Å; D80-K87 IonicContact OD2-NZ 2.7Å; D80-K87 PolarHBondContact OD2-NZ 2.7Å; L82-K87 HydrophobicContact CB-CD 4.32Å; L82-K87 HydrophobicContact CB-CG 3.75Å; L82-K87 HydrophobicContact CD1-CG 4.15Å; L82-K87 VanDerWaalsContact O-CE 3.23Å; L82-K87 WeakPolarHBondContact O-CE 3.5Å; L82-K87 PolarHBondContact O-NZ 2.91Å; S83-K87 PolarHBondContact O-N 2.79Å; E84-K87 WeakPolarHBondContact OE1-CD 3.23Å; E84-K87 WeakPolarHBondContact OE1-CE 3.38Å; E84-K87 IonicContact OE1-NZ 2.7Å; E84-K87 PolarHBondContact OE1-NZ 2.91Å; K87-V90 PolarHBondContact O-N 2.9Å; K87-L91 WeakPolarHBondContact O-CB 3.41Å; K87-L91 WeakPolarHBondContact O-CD1 3.34Å; K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.47Å; K87-L91 PolarHBondContact O-N 2.83Å
88L92.3Very high86.2Confident110 Ų11070.4 Ų70.458%0.57637%0.372SS*.Hα-helixtrans-62.4-41.6176.3-73.6169.4000112E84 L85 L91 Q92E84-L88 WeakPolarHBondContact O-CB 3.37Å; E84-L88 VanDerWaalsContact O-CG 3.23Å; E84-L88 WeakPolarHBondContact O-CG 3.48Å; E84-L88 PolarHBondContact O-N 2.89Å; L85-L88 PolarHBondContact O-N 3.17Å; L88-L91 PolarHBondContact O-N 3.47Å; L88-Q92 VanDerWaalsContact O-CB 3.26Å; L88-Q92 WeakPolarHBondContact O-CB 3.3Å; L88-Q92 PolarHBondContact O-N 2.88Å
89Y92.3Very high84.5Confident84 Ų8474.3 Ų74.333%0.32940%0.396SS..Hα-helixtrans-61.8-48.2175.6-178.3-89.4000112.1L85 E86 L91 Q92 N93 L272 V276 H277L85-Y89 WeakPolarHBondContact O-CB 3.41Å; L85-Y89 PolarHBondContact O-N 3.31Å; E86-Y89 PolarHBondContact O-N 3.4Å; Y89-L91 VanDerWaalsContact C-N 3.29Å; Y89-L91 PolarHBondContact O-N 3.18Å; Y89-Q92 PolarHBondContact O-N 3.04Å; Y89-Q92 VanDerWaalsContact O-N 3.15Å; Y89-N93 HydrophobicContact CD1-CB 4.46Å; Y89-N93 HydrophobicContact CE1-CB 4.16Å; Y89-N93 WeakPolarHBondContact O-CB 3.41Å; Y89-N93 PolarHBondContact O-N 3.19Å; Y89-L272 HydrophobicContact CD1-CD1 3.45Å; Y89-L272 VanDerWaalsContact CD1-CD1 3.45Å; Y89-L272 HydrophobicContact CD1-CD2 3.87Å; Y89-L272 HydrophobicContact CD1-CG 4.35Å; Y89-L272 HydrophobicContact CE1-CD1 4.12Å; Y89-L272 HydrophobicContact CE1-CD2 4.21Å; Y89-L272 HydrophobicContact CG-CD1 3.76Å; Y89-V276 HydrophobicContact CE1-CG1 4.45Å; Y89-H277 AromaticContact CE1-CE1 3.9Å; Y89-H277 AromaticContact CZ-CE1 3.74Å
90V91.9Very high82.6Confident17 Ų1780.3 Ų80.310%0.10343%0.428CS..Hα-helixtrans-60.1-39.7178.3173.20000111.3L61 L62 E86 K87 G94 W271 L272L61-V90 HydrophobicContact CD2-CB 3.97Å; L61-V90 HydrophobicContact CD2-CG1 3.78Å; L61-V90 HydrophobicContact CG-CG1 4.03Å; L62-V90 HydrophobicContact CD2-CG1 3.66Å; L62-V90 HydrophobicContact CG-CG1 3.99Å; E86-V90 WeakPolarHBondContact O-CG2 3.27Å; E86-V90 PolarHBondContact O-N 3.24Å; K87-V90 PolarHBondContact O-N 2.9Å; V90-G94 WeakPolarHBondContact O-CA 3.46Å; V90-G94 PolarHBondContact O-N 3.42Å; V90-W271 HydrophobicContact CG2-CZ3 4.38Å; V90-L272 HydrophobicContact CG2-CD2 4.05Å
91L90.6Very high80.7Confident74 Ų7483.6 Ų83.639%0.38745%0.445SS..Hα-helixtrans-73.9-24.8177.4-67.1168.1000114.1L61 L66 K87 L88 Y89L61-L91 HydrophobicContact CD1-CD1 4.15Å; L61-L91 HydrophobicContact CD1-CD2 3.9Å; L61-L91 HydrophobicContact CD1-CG 4.04Å; L61-L91 HydrophobicContact CG-CD2 4.3Å; L61-L91 HydrophobicContact CG-CG 4.46Å; L61-L91 WeakPolarHBondContact O-CD2 3.46Å; L66-L91 HydrophobicContact CD2-CD1 3.85Å; L66-L91 HydrophobicContact CG-CD1 3.89Å; K87-L91 WeakPolarHBondContact O-CB 3.41Å; K87-L91 WeakPolarHBondContact O-CD1 3.34Å; K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.47Å; K87-L91 PolarHBondContact O-N 2.83Å; L88-L91 PolarHBondContact O-N 3.47Å; Y89-L91 VanDerWaalsContact C-N 3.29Å; Y89-L91 PolarHBondContact O-N 3.18Å
92Q90.4Very high78.9Confident163 Ų16387.5 Ų87.576%0.76248%0.48SS*.Hα-helixtrans-88.9-29.4178.7-177.2169.713.500113L88 Y89L88-Q92 VanDerWaalsContact O-CB 3.26Å; L88-Q92 WeakPolarHBondContact O-CB 3.3Å; L88-Q92 PolarHBondContact O-N 2.88Å; Y89-Q92 PolarHBondContact O-N 3.04Å; Y89-Q92 VanDerWaalsContact O-N 3.15Å
93N89Confident77.1Confident88 Ų8895.1 Ų95.147%0.47152%0.52SS..Hα-helixtrans-108.2-12.1-174.7-74.468000113.7Y89Y89-N93 HydrophobicContact CD1-CB 4.46Å; Y89-N93 HydrophobicContact CE1-CB 4.16Å; Y89-N93 WeakPolarHBondContact O-CB 3.41Å; Y89-N93 PolarHBondContact O-N 3.19Å
94G83.6Confident75.4Confident37 Ų37102.6 Ų102.638%0.38155%0.552SS.*  trans-60.8137.1169.800000111.6V90V90-G94 WeakPolarHBondContact O-CA 3.46Å; V90-G94 PolarHBondContact O-N 3.42Å
95R78.4Confident73.5Confident195 Ų195102.1 Ų102.174%0.73655%0.552SS**  trans-125.1142.9168.4-62-174.1-174.5-177.32.1108.3D101R95-D101 IonicContact NH1-OD2 3.11Å
96D70.6Confident71.7Confident111 Ų111101.9 Ų101.959%0.59455%0.552SS**  trans-70.5138.9165-69.4-48.9000109.4N98 T99D96-N98 PolarHBondContact O-N 3.25Å; D96-T99 PolarHBondContact O-N 3.48Å; D96-T99 PolarHBondContact O-OG1 3.47Å
97A61.8Low69.8Low109 Ų109108.8 Ų108.890%0.90159%0.589SS**THydrogen-bonded Turntrans-66.93.3178.100000114.2
98N57.6Low67.7Low155 Ų155115.8 Ų115.883%0.82962%0.623SS**THydrogen-bonded Turntrans-114.97.5-175.9-64.6-34.1000113.3D96D96-N98 PolarHBondContact O-N 3.25Å
99T55.2Low65.8Low83 Ų83114.6 Ų114.651%0.50962%0.618SS.*SBendtrans-112.193.5173.656.30000111D96D96-T99 PolarHBondContact O-N 3.48Å; D96-T99 PolarHBondContact O-OG1 3.47Å
100D52.5Low63.9Low142 Ų142116.8 Ų116.876%0.75963%0.629SS**SBendtrans51.3101.4155-50.6-25.5000119.2
101D51.3Low61.8Low105 Ų105123.9 Ų123.956%0.56166%0.661SS**  trans-151.939.2146.5-96.3-41.9000109.7R95 I105R95-D101 IonicContact NH1-OD2 3.11Å; D101-I105 HydrophobicContact CB-CD1 4.04Å
102A53.3Low59.8Low94 Ų94127.2 Ų127.278%0.77767%0.672SS**SBendtrans-85.9-16.5-174.200000115.2
103D53.8Low57.7Low165 Ų165123.9 Ų123.988%0.88266%0.663SS**SBendtrans-115.6-4.2-166.7-74.1-52.6000115.6
104E54.1Low55.5Low184 Ų184124 Ų12486%0.8666%0.664SS**SBendtrans-121.8-1.6-179.6-72.4-156141.800116.4
105I51.1Low53.7Low92 Ų92128.6 Ų128.647%0.47268%0.679SS.*  trans-117.153.4-172.6-38178.8000113.7D101D101-I105 HydrophobicContact CB-CD1 4.04Å
106D52.2Low52.1Low120 Ų120126 Ų12664%0.64267%0.673SS**SBendtrans-117.36.3175.7-162.534.8000114.8K110D106-K110 VanDerWaalsContact CG-NZ 3.29Å; D106-K110 PolarHBondContact O-NZ 3.49Å; D106-K110 WeakPolarHBondContact OD1-CE 3.44Å; D106-K110 IonicContact OD1-NZ 2.64Å; D106-K110 PolarHBondContact OD1-NZ 2.93Å; D106-K110 IonicContact OD2-NZ 3.57Å
107N50.5Low50.6Low150 Ų150123.5 Ų123.580%0.80267%0.668SS**SBendtrans-135.25.2-169.7-136.18.8000117.6
108M49.9Very low49.3Very low154 Ų154125.6 Ų125.676%0.75966%0.658SS**SBendtrans-122.8-34.9176.7-68.9-58.7-55.600113.9K110M108-K110 PolarHBondContact O-N 3.18Å
109D52.2Low48.3Very low85 Ų85123.4 Ų123.446%0.45565%0.654SS.*Hα-helixtrans-69.4-19.5-169.4-68.228.7000114.4E111 F112 V113D109-E111 VanDerWaalsContact C-N 3.25Å; D109-E111 PolarHBondContact O-N 3.45Å; D109-F112 PolarHBondContact O-N 3Å; D109-V113 WeakPolarHBondContact O-CG2 3.4Å; D109-V113 PolarHBondContact O-N 2.91Å; D109-V113 VanDerWaalsContact O-N 3.1Å
110K51.4Low47.4Very low129 Ų129128.2 Ų128.256%0.56167%0.671SS**Hα-helixtrans-69.1-17-174.4-69.2162-174.1161.30113.9D106 M108D106-K110 VanDerWaalsContact CG-NZ 3.29Å; D106-K110 PolarHBondContact O-NZ 3.49Å; D106-K110 WeakPolarHBondContact OD1-CE 3.44Å; D106-K110 IonicContact OD1-NZ 2.64Å; D106-K110 PolarHBondContact OD1-NZ 2.93Å; D106-K110 IonicContact OD2-NZ 3.57Å; M108-K110 PolarHBondContact O-N 3.18Å
111E48.3Very low46.5Very low167 Ų167126.3 Ų126.378%0.7867%0.669SS**Hα-helixtrans-95.4-41.9169-67.1-165.1149.500112.6D109 N114 L115D109-E111 VanDerWaalsContact C-N 3.25Å; D109-E111 PolarHBondContact O-N 3.45Å; E111-N114 WeakPolarHBondContact O-CB 3.26Å; E111-N114 PolarHBondContact O-N 3.43Å; E111-L115 PolarHBondContact O-N 3.33Å
112F47.8Very low45.5Very low143 Ų143130.3 Ų130.363%0.62768%0.684SS**Hα-helixtrans-66.6-43.3-174.4-166.5-96.1000112.8D109 N114 L115 F116D109-F112 PolarHBondContact O-N 3Å; F112-N114 VanDerWaalsContact C-N 3.26Å; F112-N114 PolarHBondContact O-N 3.2Å; F112-L115 PolarHBondContact O-N 3.08Å; F112-F116 HydrophobicContact CD1-CE2 4.48Å; F112-F116 HydrophobicContact CE1-CD2 4.2Å; F112-F116 AromaticContact CE1-CE2 3.75Å; F112-F116 HydrophobicContact CE1-CE2 3.75Å; F112-F116 AromaticContact CZ-CE2 3.83Å; F112-F116 HydrophobicContact CZ-CE2 3.83Å
113V48Very low44.6Very low94 Ų94132.5 Ų132.557%0.5769%0.688SS**Hα-helixtrans-64.5-33.9175.9177.70000111.3D109 L115 F116 A117D109-V113 WeakPolarHBondContact O-CG2 3.4Å; D109-V113 PolarHBondContact O-N 2.91Å; D109-V113 VanDerWaalsContact O-N 3.1Å; V113-L115 VanDerWaalsContact C-N 3.29Å; V113-L115 PolarHBondContact O-N 2.97Å; V113-F116 PolarHBondContact O-N 2.82Å; V113-A117 PolarHBondContact O-N 3.2Å; V113-A117 VanDerWaalsContact O-N 3.08Å
114N41.8Very low43.7Very low90 Ų90129.5 Ų129.548%0.48168%0.68SS.*Hα-helixtrans-68.7-29.1-178.6-154.510.8000112.1E111 F112 H118E111-N114 WeakPolarHBondContact O-CB 3.26Å; E111-N114 PolarHBondContact O-N 3.43Å; F112-N114 VanDerWaalsContact C-N 3.26Å; F112-N114 PolarHBondContact O-N 3.2Å; N114-H118 PolarHBondContact O-ND1 2.96Å; N114-H118 PolarHBondContact OD1-CE1 2.67Å
115L46.6Very low42.4Very low133 Ų133126.1 Ų126.170%0.69668%0.677SS**Hα-helixtrans-69.9-35.7176.5-157.274.8000112.6E111 F112 V113E111-L115 PolarHBondContact O-N 3.33Å; F112-L115 PolarHBondContact O-N 3.08Å; V113-L115 VanDerWaalsContact C-N 3.29Å; V113-L115 PolarHBondContact O-N 2.97Å
116F44.1Very low41.8Very low142 Ų142129.4 Ų129.462%0.62370%0.695SS**Hα-helixtrans-76.6-38174.9-83.3-91.5000112.6F112 V113 H118 C119F112-F116 HydrophobicContact CD1-CE2 4.48Å; F112-F116 HydrophobicContact CE1-CD2 4.2Å; F112-F116 AromaticContact CE1-CE2 3.75Å; F112-F116 HydrophobicContact CE1-CE2 3.75Å; F112-F116 AromaticContact CZ-CE2 3.83Å; F112-F116 HydrophobicContact CZ-CE2 3.83Å; V113-F116 PolarHBondContact O-N 2.82Å; F116-H118 PolarHBondContact O-N 2.76Å; F116-C119 PolarHBondContact O-N 2.86Å; F116-C119 VanDerWaalsContact O-N 3.11Å
117A38.5Very low40.7Very low58 Ų58127.7 Ų127.748%0.47969%0.693SS.*Hα-helixtrans-60.3-27-179.300000113.8V113 C119V113-A117 PolarHBondContact O-N 3.2Å; V113-A117 VanDerWaalsContact O-N 3.08Å; A117-C119 PolarHBondContact O-N 3.16Å
118H34.5Very low39.8Very low152 Ų152126.4 Ų126.470%0.70469%0.69SS**THydrogen-bonded Turntrans-74.4-5178.2-79.178.3000114.6N114 F116N114-H118 PolarHBondContact O-ND1 2.96Å; N114-H118 PolarHBondContact OD1-CE1 2.67Å; F116-H118 PolarHBondContact O-N 2.76Å
119C37.7Very low39Very low110 Ų110125.4 Ų125.474%0.74369%0.693SS**THydrogen-bonded Turntrans-97-12.8-179.8-68.60000115.1F116 A117F116-C119 PolarHBondContact O-N 2.86Å; F116-C119 VanDerWaalsContact O-N 3.11Å; A117-C119 PolarHBondContact O-N 3.16Å
120E36.7Very low38Very low184 Ų184129.2 Ų129.286%0.8671%0.708SS**SBendtrans-112.523.1-173.2-64.4-149131.700115
121S31.8Very low37.2Very low101 Ų101129.1 Ų129.171%0.70672%0.722SS**  trans-141.959.5-175.5-175.50000116.4
122E30.3Very low36.5Very low189 Ų189127.4 Ų127.488%0.88372%0.717SS**  trans-142.292.9143.4-78.6-151.5162.100111.2
123T36.2Very low36.1Very low141 Ų141128.5 Ų128.587%0.86573%0.73SS**  trans-95.484.5174.954.20000111.9
124S33.5Very low35.7Very low101 Ų101130.4 Ų130.471%0.70673%0.732SS**  trans-16095.4161.760.50000115.1
125S27.8Very low35.5Very low114 Ų114133.6 Ų133.680%0.79774%0.742SS**  -178.4150.4125.436.50000111.9S127S125-S127 PolarHBondContact O-N 2.78Å
126D37.5Very low35.3Very low160 Ų160133.3 Ų133.386%0.85674%0.74SS**  trans-68.8117.6171.4179.319.7000110.1
127S29.3Very low35.3Very low85 Ų85132.4 Ų132.459%0.59474%0.741SS**  trans-151.2127.4162.758.20000110.8S125 V129S125-S127 PolarHBondContact O-N 2.78Å; S127-V129 PolarHBondContact O-N 2.93Å
128T31.3Very low35.4Very low123 Ų123138.2 Ų138.276%0.75576%0.756SS**  trans-69.998.2168.347.20000108.8E130T128-E130 PolarHBondContact O-N 3.06Å
129V34Very low35.9Very low133 Ų133135.7 Ų135.781%0.80676%0.762SS**  trans-71.187169.9-1710000108.1S127 C131S127-V129 PolarHBondContact O-N 2.93Å; V129-C131 PolarHBondContact O-N 2.93Å
130E31.2Very low36.6Very low164 Ų164138 Ų13877%0.76677%0.765SS**  trans-54.3134.6170.9-64.6-173.1125.700109.1T128 L132T128-E130 PolarHBondContact O-N 3.06Å; E130-L132 PolarHBondContact O-N 3.13Å
131C35.3Very low37.1Very low127 Ų127136 Ų13686%0.85876%0.761SS**  trans-57.9131.6176.3-171.50000108.7V129 D133V129-C131 PolarHBondContact O-N 2.93Å; C131-D133 VanDerWaalsContact C-N 3.29Å; C131-D133 PolarHBondContact O-N 3.15Å
132L32Very low38.2Very low131 Ų131133.2 Ų133.269%0.68674%0.74SS**  trans-70.777-162.2-166.475.5000113.2E130 Q134E130-L132 PolarHBondContact O-N 3.13Å; L132-Q134 HydrophobicContact CD1-CG 3.73Å; L132-Q134 HydrophobicContact CD2-CG 4.44Å; L132-Q134 HydrophobicContact CG-CB 4.08Å; L132-Q134 HydrophobicContact CG-CG 3.85Å; L132-Q134 PolarHBondContact O-N 3.28Å
133D40.6Very low39.7Very low167 Ų167128.5 Ų128.589%0.89373%0.728SS**  trans-73.647.6169.1-110.5-8.8000110.9C131 K135C131-D133 VanDerWaalsContact C-N 3.29Å; C131-D133 PolarHBondContact O-N 3.15Å; D133-K135 VanDerWaalsContact C-N 3.33Å; D133-K135 PolarHBondContact O-N 2.7Å
134Q38.6Very low41.5Very low133 Ų133125.3 Ų125.362%0.62171%0.71SS**  trans-72.993.3167.7-80-1705.600109.2L132 I136L132-Q134 HydrophobicContact CD1-CG 3.73Å; L132-Q134 HydrophobicContact CD2-CG 4.44Å; L132-Q134 HydrophobicContact CG-CB 4.08Å; L132-Q134 HydrophobicContact CG-CG 3.85Å; L132-Q134 PolarHBondContact O-N 3.28Å; Q134-I136 PolarHBondContact O-N 3.17Å
135K38.7Very low43.6Very low157 Ų157124.2 Ų124.268%0.68369%0.694SS**  trans-61.380.8166.4-173.4176.1-176-66.40110.2D133 D137D133-K135 VanDerWaalsContact C-N 3.33Å; D133-K135 PolarHBondContact O-N 2.7Å; K135-D137 VanDerWaalsContact C-N 3.29Å; K135-D137 IonicContact NZ-OD1 3.68Å; K135-D137 PolarHBondContact NZ-OD1 3.11Å; K135-D137 IonicContact NZ-OD2 2.67Å; K135-D137 PolarHBondContact NZ-OD2 2.94Å; K135-D137 PolarHBondContact O-N 2.64Å
136I41.4Very low46Very low127 Ų127122.9 Ų122.965%0.65168%0.68SS**  trans-71.888.4172.2-59.9176.8000107.8Q134 K138Q134-I136 PolarHBondContact O-N 3.17Å; I136-K138 HydrophobicContact CG2-CB 4.12Å; I136-K138 HydrophobicContact CG2-CG 4.25Å; I136-K138 PolarHBondContact O-N 2.98Å
137D44.7Very low47.7Very low123 Ų123118.1 Ų118.166%0.65865%0.652SS**  trans-7071.5169.1-74.6-40000110.4K135K135-D137 VanDerWaalsContact C-N 3.29Å; K135-D137 IonicContact NZ-OD1 3.68Å; K135-D137 PolarHBondContact NZ-OD1 3.11Å; K135-D137 IonicContact NZ-OD2 2.67Å; K135-D137 PolarHBondContact NZ-OD2 2.94Å; K135-D137 PolarHBondContact O-N 2.64Å
138K40.7Very low49.8Very low181 Ų181118.2 Ų118.279%0.78765%0.645SS**  trans-135125.4166.5-69.3-170.8176.9179.60109.5I136I136-K138 HydrophobicContact CG2-CB 4.12Å; I136-K138 HydrophobicContact CG2-CG 4.25Å; I136-K138 PolarHBondContact O-N 2.98Å
139A43.7Very low51.3Low99 Ų99113 Ų11382%0.81861%0.613SS**  trans-77.5148.3179.700000111.7
140L52.6Low52.2Low157 Ų157111.3 Ų111.382%0.82261%0.606SS**  trans62.781.1157.6-163.471.7000116.8
141D47.9Very low53.2Low144 Ų144109.7 Ų109.777%0.7760%0.603SS**  -160.2140120.5-103.3-26.5000111.5S143D141-S143 PolarHBondContact O-N 2.76Å
142P55.8Low53.9Low42 Ų42113 Ų11327%0.27360%0.597SS.*  trans-81.978.9176.433.5-33.6000111K285P142-K285 VanDerWaalsContact CB-O 3.26Å; P142-K285 WeakPolarHBondContact CB-O 3.36Å
143S60.8Low54.8Low89 Ų89112.3 Ų112.362%0.62260%0.599SS**  trans-59.6126.1173.359.90000110.9D141D141-S143 PolarHBondContact O-N 2.76Å
144P74.5Confident55.2Low75 Ų75105.7 Ų105.749%0.48757%0.568SS.*  trans-74.1131.617629.5-34.4000111.6V282 I284P144-V282 HydrophobicContact CB-CG1 3.95Å; P144-I284 HydrophobicContact CB-CG1 4.23Å
145E77.2Confident56.2Low78 Ų78100.1 Ų100.136%0.36455%0.545SS..EExtended strand (participates in β ladder)trans-82.3113.5173-80.6154.8-134.400109.2F147 V282 L283 K285E145-F147 HydrophobicContact CB-CE2 3.95Å; E145-F147 HydrophobicContact CB-CZ 4.19Å; E145-V282 CarbonylContact O-C 3.57Å; E145-V282 WeakPolarHBondContact O-CA 3.42Å; E145-L283 HydrophobicContact CB-CB 4.13Å; E145-L283 PolarHBondContact N-O 3.35Å; E145-L283 PolarHBondContact O-N 3.4Å; E145-L283 WeakPolarHBondContact OE2-CD2 3.03Å; E145-K285 IonicContact OE1-NZ 2.63Å; E145-K285 PolarHBondContact OE1-NZ 2.99Å; E145-K285 IonicContact OE2-NZ 2.66Å; E145-K285 PolarHBondContact OE2-NZ 2.62Å
146V77.5Confident57.8Low85 Ų8593.7 Ų93.752%0.51552%0.521SS..EExtended strand (participates in β ladder)trans-97.8127.2179.8179.60000109.9L148 L280 V282V146-L148 HydrophobicContact CG1-CD2 4.46Å; V146-L148 HydrophobicContact CG1-CG 4.38Å; V146-L280 HydrophobicContact CG1-CD1 3.9Å; V146-V282 HydrophobicContact CG1-CG2 4.41Å; V146-V282 HydrophobicContact CG2-CG1 4.14Å; V146-V282 HydrophobicContact CG2-CG2 4.27Å
147F73.1Confident59.7Low60 Ų6088 Ų8826%0.26349%0.491SS..EExtended strand (participates in β ladder)trans-112.9115.4177.7-62.6-78.6000110.1E145 M157 L160 L281 L283E145-F147 HydrophobicContact CB-CE2 3.95Å; E145-F147 HydrophobicContact CB-CZ 4.19Å; F147-M157 HydrophobicContact CB-CE 4.41Å; F147-L160 HydrophobicContact CB-CD1 4.1Å; F147-L160 HydrophobicContact CD1-CD1 3.73Å; F147-L160 HydrophobicContact CE1-CD1 4.31Å; F147-L160 HydrophobicContact CE1-CD2 4.33Å; F147-L160 HydrophobicContact CG-CD1 3.88Å; F147-L281 HydrophobicContact CB-CB 4.14Å; F147-L281 PolarHBondContact N-O 3.21Å; F147-L281 PolarHBondContact O-N 3.33Å; F147-L281 VanDerWaalsContact O-N 3.11Å; F147-L281 VanDerWaalsContact O-O 3.12Å; F147-L283 HydrophobicContact CD2-CB 4.45Å; F147-L283 HydrophobicContact CE2-CB 3.8Å; F147-L283 HydrophobicContact CE2-CD2 4.33Å
148L74Confident61.8Low87 Ų8782.5 Ų82.546%0.45546%0.461SS..EExtended strand (participates in β ladder)trans-101.6132.7175.4-64.5172.6000109.8V146 S150 D151 L280V146-L148 HydrophobicContact CG1-CD2 4.46Å; V146-L148 HydrophobicContact CG1-CG 4.38Å; L148-S150 PolarHBondContact O-N 2.79Å; L148-D151 PolarHBondContact O-N 2.9Å; L148-L280 HydrophobicContact CD2-CD1 3.73Å
149Q62.5Low64Low15 Ų1575.3 Ų75.37%0.0743%0.432CS..THydrogen-bonded Turntrans-64.5-8.5175.2-174.2170.9-38.400113.6R152 M157 H277 Q278 S279Q149-R152 VanDerWaalsContact O-O 3.06Å; Q149-M157 HydrophobicContact CB-CG 3.69Å; Q149-M157 HydrophobicContact CB-SD 4.15Å; Q149-M157 HydrophobicContact CG-CG 3.77Å; Q149-H277 PolarHBondContact NE2-O 3.48Å; Q149-H277 PolarHBondContact OE1-O 2.9Å; Q149-Q278 HydrophobicContact CB-CG 4.45Å; Q149-Q278 VanDerWaalsContact CG-OE1 3.31Å; Q149-Q278 VanDerWaalsContact NE2-OE1 3.08Å; Q149-S279 WeakPolarHBondContact CB-O 3.49Å
150S53.3Low66.1Low96 Ų9672.9 Ų72.967%0.67141%0.405SS*.THydrogen-bonded Turntrans-73.5-25.4175.9-51.40000113.6L148 Q278L148-S150 PolarHBondContact O-N 2.79Å; S150-Q278 PolarHBondContact OG-NE2 3.36Å; S150-Q278 VanDerWaalsContact OG-NE2 3.15Å
151D51.5Low68Low131 Ų13165.5 Ų65.570%0.70137%0.366SS*.SBendtrans-83.3-22.6-173.4-71.6-42.8000113.8L148L148-D151 PolarHBondContact O-N 2.9Å
152R50.4Low70.1Confident195 Ų19559 Ų5974%0.73633%0.331SS*.SBendtrans-149.1150.9178.5-66.9-167.2174.4-177.6-2.6111.9Q149 A156Q149-R152 VanDerWaalsContact O-O 3.06Å; R152-A156 HydrophobicContact CB-CB 3.75Å
153T51.5Low71.8Confident117 Ų11763.2 Ų63.272%0.71835%0.347SS*.  trans-44.5144.6179.749.30000113.4A155 A156T153-A155 PolarHBondContact O-N 2.81Å; T153-A156 WeakPolarHBondContact O-CB 3.32Å; T153-A156 PolarHBondContact O-N 2.95Å
154A49.3Very low73.3Confident29 Ų2959.6 Ų59.624%0.2432%0.32CS..THydrogen-bonded Turntrans-48.8-33.5-167.800000115.9A156 M157A154-A156 PolarHBondContact O-N 2.6Å; A154-A156 VanDerWaalsContact O-N 3.14Å; A154-M157 PolarHBondContact O-N 2.79Å
155A59.3Low74.2Confident16 Ų1656 Ų5613%0.13230%0.297CS..Hα-helixtrans-52.5-33.2173.100000113.3T153 M157 K158 D159T153-A155 PolarHBondContact O-N 2.81Å; A155-M157 VanDerWaalsContact C-N 3.31Å; A155-M157 PolarHBondContact O-N 2.93Å; A155-K158 WeakPolarHBondContact O-CB 3.26Å; A155-K158 PolarHBondContact O-N 3.19Å; A155-K158 VanDerWaalsContact O-N 3.15Å; A155-D159 WeakPolarHBondContact O-CB 3.34Å; A155-D159 PolarHBondContact O-N 3.28Å
156A71.1Confident74.7Confident22 Ų2255.2 Ų55.218%0.18229%0.29CS..Hα-helixtrans-57.3-37.2179.500000113.4R152 T153 A154 D159 L160R152-A156 HydrophobicContact CB-CB 3.75Å; T153-A156 WeakPolarHBondContact O-CB 3.32Å; T153-A156 PolarHBondContact O-N 2.95Å; A154-A156 PolarHBondContact O-N 2.6Å; A154-A156 VanDerWaalsContact O-N 3.14Å; A156-D159 PolarHBondContact O-N 3.19Å; A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.39Å; A156-L160 PolarHBondContact O-N 2.81Å
157M83.3Confident75.3Confident6 Ų656.4 Ų56.43%0.0329%0.289CS..Hα-helixtrans-68.3-43.6177.6-65.9-58.6104.700111.2F147 Q149 A154 A155 D159 L160 V161 Y267 L281F147-M157 HydrophobicContact CB-CE 4.41Å; Q149-M157 HydrophobicContact CB-CG 3.69Å; Q149-M157 HydrophobicContact CB-SD 4.15Å; Q149-M157 HydrophobicContact CG-CG 3.77Å; A154-M157 PolarHBondContact O-N 2.79Å; A155-M157 VanDerWaalsContact C-N 3.31Å; A155-M157 PolarHBondContact O-N 2.93Å; M157-D159 VanDerWaalsContact C-N 3.31Å; M157-D159 PolarHBondContact O-N 3.49Å; M157-L160 HydrophobicContact CE-CD1 3.73Å; M157-L160 HydrophobicContact SD-CD1 4.47Å; M157-V161 WeakPolarHBondContact O-CG2 3.25Å; M157-V161 PolarHBondContact O-N 2.9Å; M157-Y267 HydrophobicContact CB-CD2 4.31Å; M157-Y267 HydrophobicContact CB-CE2 4.25Å; M157-L281 HydrophobicContact CB-CD1 4.37Å; M157-L281 HydrophobicContact SD-CD1 4.04Å
158K87.4Confident76.2Confident8 Ų853.7 Ų53.74%0.03528%0.277CS..Hα-helixtrans-60.1-44.8173.3-164.4-178.5-161.7164.90110.7A155 V161 R162 D181 E183A155-K158 WeakPolarHBondContact O-CB 3.26Å; A155-K158 PolarHBondContact O-N 3.19Å; A155-K158 VanDerWaalsContact O-N 3.15Å; K158-V161 PolarHBondContact O-N 3.26Å; K158-R162 WeakPolarHBondContact O-CG 3.25Å; K158-R162 PolarHBondContact O-N 2.81Å; K158-D181 WeakPolarHBondContact CE-OD2 3.46Å; K158-D181 IonicContact NZ-OD1 2.69Å; K158-D181 IonicContact NZ-OD2 3.23Å; K158-D181 PolarHBondContact NZ-OD2 2.96Å; K158-E183 IonicContact NZ-OE2 2.96Å; K158-E183 PolarHBondContact NZ-OE2 3.2Å
159D87.1Confident77Confident31 Ų3157 Ų5717%0.16629%0.288CS..Hα-helixtrans-70.1-35.7-175.2-69-13.8000112.5L48 A155 A156 M157 R162 Q163L48-D159 HydrophobicContact CD1-CB 4.4Å; L48-D159 HydrophobicContact CD2-CB 4.03Å; L48-D159 WeakPolarHBondContact CD2-OD1 3.46Å; A155-D159 WeakPolarHBondContact O-CB 3.34Å; A155-D159 PolarHBondContact O-N 3.28Å; A156-D159 PolarHBondContact O-N 3.19Å; M157-D159 VanDerWaalsContact C-N 3.31Å; M157-D159 PolarHBondContact O-N 3.49Å; D159-R162 PolarHBondContact O-N 3.17Å; D159-Q163 VanDerWaalsContact O-CB 3.3Å; D159-Q163 WeakPolarHBondContact O-CB 3.4Å; D159-Q163 PolarHBondContact O-N 3.21Å
160L88.9Confident78.4Confident48 Ų4861.9 Ų61.925%0.25131%0.314SS..Hα-helixtrans-60.5-48.5169.3-76.3170.5000111.6F147 A156 M157 R162 Q163 F164F147-L160 HydrophobicContact CB-CD1 4.1Å; F147-L160 HydrophobicContact CD1-CD1 3.73Å; F147-L160 HydrophobicContact CE1-CD1 4.31Å; F147-L160 HydrophobicContact CE1-CD2 4.33Å; F147-L160 HydrophobicContact CG-CD1 3.88Å; A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 VanDerWaalsContact O-CG 3.24Å; A156-L160 WeakPolarHBondContact O-CG 3.39Å; A156-L160 PolarHBondContact O-N 2.81Å; M157-L160 HydrophobicContact CE-CD1 3.73Å; M157-L160 HydrophobicContact SD-CD1 4.47Å; L160-R162 VanDerWaalsContact C-N 3.33Å; L160-R162 PolarHBondContact O-N 2.84Å; L160-Q163 PolarHBondContact O-N 2.96Å; L160-F164 WeakPolarHBondContact O-CB 3.41Å; L160-F164 PolarHBondContact O-N 2.71Å
161V92.1Very high80.3Confident1 Ų158.1 Ų58.11%0.00629%0.287CS..Hα-helixtrans-59.4-44.6175.4172.50000110.6M157 K158 Q163 F164 L165 L184 I255 L263 Y267 F269 L281M157-V161 WeakPolarHBondContact O-CG2 3.25Å; M157-V161 PolarHBondContact O-N 2.9Å; K158-V161 PolarHBondContact O-N 3.26Å; V161-Q163 PolarHBondContact O-N 2.84Å; V161-F164 PolarHBondContact O-N 2.74Å; V161-L165 HydrophobicContact CG1-CD1 4.09Å; V161-L165 HydrophobicContact CG1-CG 4.4Å; V161-L165 VanDerWaalsContact O-CG 3.3Å; V161-L165 WeakPolarHBondContact O-CG 3.43Å; V161-L165 PolarHBondContact O-N 2.93Å; V161-L184 HydrophobicContact CG1-CD2 4.11Å; V161-I255 HydrophobicContact CG1-CD1 4.1Å; V161-L263 HydrophobicContact CG2-CD2 3.99Å; V161-Y267 HydrophobicContact CG1-CE1 4.49Å; V161-Y267 HydrophobicContact CG2-CD1 3.94Å; V161-Y267 HydrophobicContact CG2-CE1 4.03Å; V161-Y267 HydrophobicContact CG2-CG 4.46Å; V161-F269 HydrophobicContact CG1-CE1 3.77Å; V161-F269 HydrophobicContact CG1-CZ 4.07Å; V161-L281 HydrophobicContact CG2-CD1 3.73Å; V161-L281 HydrophobicContact CG2-CD2 4.37Å
162R92.1Very high82.4Confident9 Ų951.9 Ų51.93%0.03425%0.253CS..Hα-helixtrans-63.9-40.3177.4-68.8174.591.9155.818.9112.4R24 K158 D159 L160 R166 E183 L184 D187R24-R162 VanDerWaalsContact NH1-NH2 3.19Å; K158-R162 WeakPolarHBondContact O-CG 3.25Å; K158-R162 PolarHBondContact O-N 2.81Å; D159-R162 PolarHBondContact O-N 3.17Å; L160-R162 VanDerWaalsContact C-N 3.33Å; L160-R162 PolarHBondContact O-N 2.84Å; R162-R166 VanDerWaalsContact O-CB 3.3Å; R162-R166 WeakPolarHBondContact O-CB 3.26Å; R162-R166 VanDerWaalsContact O-CD 3.28Å; R162-R166 WeakPolarHBondContact O-CD 3.36Å; R162-R166 WeakPolarHBondContact O-CG 3.31Å; R162-R166 PolarHBondContact O-N 2.96Å; R162-E183 IonicContact CZ-OE1 3.69Å; R162-E183 IonicContact NH1-OE1 3Å; R162-E183 PolarHBondContact NH1-OE1 2.97Å; R162-E183 IonicContact NH1-OE2 2.6Å; R162-E183 IonicContact NH2-OE1 3.3Å; R162-E183 PolarHBondContact NH2-OE1 2.89Å; R162-L184 HydrophobicContact CG-CD2 3.65Å; R162-D187 IonicContact CZ-OD2 2.82Å; R162-D187 IonicContact NE-OD2 3.7Å; R162-D187 PolarHBondContact NE-OD2 3.25Å; R162-D187 IonicContact NH2-OD2 2.91Å; R162-D187 PolarHBondContact NH2-OD2 3.03Å
163Q90.3Very high84.5Confident130 Ų13042.6 Ų42.661%0.60722%0.218SC*.Hα-helixtrans-63.5-42.8175.3-175.8175.4-1.400111D159 L160 V161 R166 K167D159-Q163 VanDerWaalsContact O-CB 3.3Å; D159-Q163 WeakPolarHBondContact O-CB 3.4Å; D159-Q163 PolarHBondContact O-N 3.21Å; L160-Q163 PolarHBondContact O-N 2.96Å; V161-Q163 PolarHBondContact O-N 2.84Å; Q163-R166 CarbonylContact O-C 3.42Å; Q163-R166 WeakPolarHBondContact O-CB 3.43Å; Q163-R166 PolarHBondContact O-N 3.39Å; Q163-R166 VanDerWaalsContact O-N 3.15Å; Q163-K167 PolarHBondContact O-N 3.04Å
164F92.1Very high86.6Confident12 Ų1237 Ų375%0.05318%0.184CC..Hα-helixtrans-61.6-50.4176-168.6-109.4000112L160 V161 R166 K167 I255 A257 E261 L263 L283L160-F164 WeakPolarHBondContact O-CB 3.41Å; L160-F164 PolarHBondContact O-N 2.71Å; V161-F164 PolarHBondContact O-N 2.74Å; F164-R166 PolarHBondContact O-N 3.2Å; F164-R166 VanDerWaalsContact O-N 3.13Å; F164-K167 WeakPolarHBondContact O-CB 3.21Å; F164-K167 PolarHBondContact O-N 3.34Å; F164-I255 HydrophobicContact CD1-CB 4.25Å; F164-I255 HydrophobicContact CD1-CG2 3.96Å; F164-I255 HydrophobicContact CE1-CB 3.92Å; F164-I255 HydrophobicContact CE1-CG2 3.72Å; F164-I255 WeakPolarHBondContact CE1-O 2.99Å; F164-A257 HydrophobicContact CE1-CB 3.78Å; F164-A257 HydrophobicContact CE2-CB 4.04Å; F164-A257 HydrophobicContact CZ-CB 3.5Å; F164-A257 VanDerWaalsContact CZ-CB 3.5Å; F164-E261 HydrophobicContact CE2-CB 3.72Å; F164-E261 HydrophobicContact CZ-CB 3.92Å; F164-L263 HydrophobicContact CB-CD2 3.95Å; F164-L263 HydrophobicContact CD1-CB 3.7Å; F164-L263 HydrophobicContact CD1-CD2 3.92Å; F164-L263 HydrophobicContact CD1-CG 4.48Å; F164-L263 HydrophobicContact CD2-CB 4.43Å; F164-L263 HydrophobicContact CE1-CB 3.56Å; F164-L263 HydrophobicContact CE2-CB 4.32Å; F164-L263 HydrophobicContact CG-CB 4.14Å; F164-L263 HydrophobicContact CG-CD2 3.94Å; F164-L263 HydrophobicContact CZ-CB 3.89Å; F164-L283 HydrophobicContact CD2-CD1 4.19Å; F164-L283 HydrophobicContact CE2-CD1 3.59Å; F164-L283 HydrophobicContact CZ-CD1 4.25Å
165L93.3Very high88.9Confident0 Ų035.7 Ų35.70%017%0.173CC..Hα-helixtrans-60.1-23.6174.2-66.3178.2000113.2V161 L172 L184 L188 R195 I255 F269V161-L165 HydrophobicContact CG1-CD1 4.09Å; V161-L165 HydrophobicContact CG1-CG 4.4Å; V161-L165 VanDerWaalsContact O-CG 3.3Å; V161-L165 WeakPolarHBondContact O-CG 3.43Å; V161-L165 PolarHBondContact O-N 2.93Å; L165-L172 HydrophobicContact CD2-CD1 4.16Å; L165-L172 HydrophobicContact CD2-CD2 3.9Å; L165-L184 HydrophobicContact CD1-CD2 4.37Å; L165-L188 HydrophobicContact CD1-CD2 4.29Å; L165-L188 HydrophobicContact CD1-CG 4.24Å; L165-L188 HydrophobicContact CD2-CD2 3.77Å; L165-R195 VanDerWaalsContact O-CZ 3.31Å; L165-R195 PolarHBondContact O-NH1 3.16Å; L165-R195 PolarHBondContact O-NH2 2.93Å; L165-I255 HydrophobicContact CD2-CD1 4.46Å; L165-I255 HydrophobicContact CD2-CG2 3.98Å; L165-F269 HydrophobicContact CD1-CZ 4.4Å
166R89.6Confident90.6Very high62 Ų6235.1 Ų35.123%0.23417%0.167CC..Hα-helixtrans-86.8-24.5176.2-75.6166.4173.5-104.9-2.6114.1P46 R162 Q163 F164 D187 R195P46-R166 VanDerWaalsContact CA-NH1 3.29Å; R162-R166 VanDerWaalsContact O-CB 3.3Å; R162-R166 WeakPolarHBondContact O-CB 3.26Å; R162-R166 VanDerWaalsContact O-CD 3.28Å; R162-R166 WeakPolarHBondContact O-CD 3.36Å; R162-R166 WeakPolarHBondContact O-CG 3.31Å; R162-R166 PolarHBondContact O-N 2.96Å; Q163-R166 CarbonylContact O-C 3.42Å; Q163-R166 WeakPolarHBondContact O-CB 3.43Å; Q163-R166 PolarHBondContact O-N 3.39Å; Q163-R166 VanDerWaalsContact O-N 3.15Å; F164-R166 PolarHBondContact O-N 3.2Å; F164-R166 VanDerWaalsContact O-N 3.13Å; R166-D187 IonicContact CZ-OD1 2.9Å; R166-D187 VanDerWaalsContact CZ-OD1 3.3Å; R166-D187 IonicContact NE-OD1 3.12Å; R166-D187 PolarHBondContact NE-OD1 3.32Å; R166-D187 VanDerWaalsContact NE-OD1 3.11Å; R166-D187 IonicContact NH2-OD1 3.6Å; R166-D187 PolarHBondContact NH2-OD1 3.48Å; R166-R195 PolarHBondContact O-NH1 3.47Å
167K89.9Confident91.7Very high110 Ų11035.5 Ų35.548%0.47817%0.167SC..Hα-helixtrans-71.5-36.8178.9-173.5178.4174.6-174.50112.9Q163 F164 E261Q163-K167 PolarHBondContact O-N 3.04Å; F164-K167 WeakPolarHBondContact O-CB 3.21Å; F164-K167 PolarHBondContact O-N 3.34Å; K167-E261 WeakPolarHBondContact CD-OE2 3.24Å; K167-E261 VanDerWaalsContact CE-OE2 3.25Å; K167-E261 WeakPolarHBondContact CE-OE2 3.38Å; K167-E261 IonicContact NZ-OE1 3.14Å; K167-E261 PolarHBondContact NZ-OE1 3.26Å; K167-E261 IonicContact NZ-OE2 3.5Å; K167-E261 PolarHBondContact NZ-OE2 3.32Å
168A91.6Very high92.1Very high2 Ų236.3 Ų36.32%0.01717%0.174CC..  trans-59.8143.1-17800000113.8L172 R195 A257 D258A168-L172 HydrophobicContact CB-CD1 4.21Å; A168-L172 HydrophobicContact CB-CD2 3.52Å; A168-L172 HydrophobicContact CB-CG 3.68Å; A168-R195 PolarHBondContact O-NH1 3.48Å; A168-A257 HydrophobicContact CB-CB 4.02Å; A168-D258 WeakPolarHBondContact CA-OD2 3.43Å
169K91.1Very high92.4Very high156 Ų15636.2 Ų36.268%0.67817%0.174SC*.SBendtrans-122.2-26.3-171-60.8172.1-173.1166.60113.6D258K169-D258 VanDerWaalsContact N-CG 3.35Å; K169-D258 PolarHBondContact N-OD1 2.91Å; K169-D258 VanDerWaalsContact N-OD1 3.08Å; K169-D258 PolarHBondContact N-OD2 3.19Å
170L91.2Very high92.8Very high119 Ų11935.2 Ų35.262%0.62317%0.169SC*.SBendtrans-122.3-55-171.3-57.6177.3000111.5S198 D258L170-S198 PolarHBondContact O-N 2.76Å; L170-D258 WeakPolarHBondContact CA-OD1 3.43Å; L170-D258 WeakPolarHBondContact CB-OD1 3.22Å; L170-D258 PolarHBondContact N-OD1 2.96Å
171V92.8Very high93Very high17 Ų1733 Ų3310%0.10316%0.157CC..EExtended strand (participates in β ladder)trans-140.5139-171.4-173.90000111.4S198 D258 W259V171-S198 WeakPolarHBondContact CA-O 3.5Å; V171-D258 PolarHBondContact N-OD1 3.03Å; V171-D258 PolarHBondContact O-N 2.82Å; V171-W259 HydrophobicContact CG1-CZ2 3.77Å
172L95.6Very high92.9Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-123.3118.1164.8-77.4167.3000108.5L165 A168 L188 A191 V197 S198 V199 H200 I255 I256 A257L165-L172 HydrophobicContact CD2-CD1 4.16Å; L165-L172 HydrophobicContact CD2-CD2 3.9Å; A168-L172 HydrophobicContact CB-CD1 4.21Å; A168-L172 HydrophobicContact CB-CD2 3.52Å; A168-L172 HydrophobicContact CB-CG 3.68Å; L172-L188 HydrophobicContact CD1-CD2 4.1Å; L172-A191 HydrophobicContact CD1-CB 3.98Å; L172-V197 HydrophobicContact CB-CG1 4.32Å; L172-V197 HydrophobicContact CD1-CG1 4.11Å; L172-V197 HydrophobicContact CG-CG1 4.06Å; L172-S198 PolarHBondContact N-O 2.92Å; L172-V199 HydrophobicContact CB-CG2 4.41Å; L172-V199 CarbonylContact O-C 3.59Å; L172-V199 WeakPolarHBondContact O-CA 3.35Å; L172-H200 PolarHBondContact O-N 3.49Å; L172-I255 HydrophobicContact CD2-CG2 4.29Å; L172-I256 WeakPolarHBondContact CA-O 3.3Å; L172-A257 HydrophobicContact CD2-CB 4.27Å
173A95.3Very high92.9Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-113.2106.6174.800000108.9I255 I256 W259 F296A173-I255 CarbonylContact O-C 3.59Å; A173-I255 WeakPolarHBondContact O-CA 3.45Å; A173-I256 HydrophobicContact CB-CB 4.21Å; A173-I256 HydrophobicContact CB-CG1 4.46Å; A173-I256 PolarHBondContact N-O 3.06Å; A173-I256 PolarHBondContact O-N 2.9Å; A173-W259 HydrophobicContact CB-CH2 3.86Å; A173-W259 HydrophobicContact CB-CZ3 4.15Å; A173-F296 HydrophobicContact CB-CD1 4.49Å; A173-F296 HydrophobicContact CB-CD2 3.86Å; A173-F296 HydrophobicContact CB-CE1 4.3Å; A173-F296 HydrophobicContact CB-CE2 3.63Å; A173-F296 HydrophobicContact CB-CG 4.3Å; A173-F296 HydrophobicContact CB-CZ 3.87Å
174V96.3Very high93Very high0 Ų027.2 Ų27.20%013%0.131CC..EExtended strand (participates in β ladder)trans-104.1129.4-178.1-175.60000108.9M176 L188 H200 L201 L202 I255 F269V174-M176 HydrophobicContact CG1-CB 4.18Å; V174-M176 HydrophobicContact CG1-CE 3.91Å; V174-L188 HydrophobicContact CG2-CD2 4.22Å; V174-H200 PolarHBondContact N-O 3.09Å; V174-L201 HydrophobicContact CB-CD2 3.68Å; V174-L201 HydrophobicContact CG1-CD2 4.39Å; V174-L201 HydrophobicContact CG2-CD2 3.65Å; V174-L202 PolarHBondContact O-N 3.26Å; V174-I255 HydrophobicContact CG1-CG1 4.42Å; V174-I255 HydrophobicContact CG2-CG2 4.19Å; V174-F269 HydrophobicContact CG1-CE2 3.96Å; V174-F269 HydrophobicContact CG1-CZ 4.33Å
175V95.8Very high93Very high1 Ų126.8 Ų26.81%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-113.3127.6162.3-170.70000107L202 I250 E252 S253 F254 F296 L299V175-L202 WeakPolarHBondContact CA-O 3.4Å; V175-L202 HydrophobicContact CG1-CB 4.43Å; V175-L202 HydrophobicContact CG2-CB 4.26Å; V175-L202 HydrophobicContact CG2-CD1 4.2Å; V175-I250 HydrophobicContact CG1-CG2 4.42Å; V175-E252 WeakPolarHBondContact CG1-O 3.44Å; V175-S253 WeakPolarHBondContact O-CA 3.48Å; V175-F254 HydrophobicContact CB-CD1 4.05Å; V175-F254 HydrophobicContact CB-CD2 4.45Å; V175-F254 HydrophobicContact CB-CE1 3.88Å; V175-F254 HydrophobicContact CB-CE2 4.29Å; V175-F254 HydrophobicContact CB-CG 4.35Å; V175-F254 HydrophobicContact CB-CZ 4.02Å; V175-F254 HydrophobicContact CG1-CE1 4.2Å; V175-F254 HydrophobicContact CG2-CD1 4.34Å; V175-F254 HydrophobicContact CG2-CD2 4.16Å; V175-F254 HydrophobicContact CG2-CE1 3.82Å; V175-F254 HydrophobicContact CG2-CE2 3.6Å; V175-F254 HydrophobicContact CG2-CZ 3.42Å; V175-F254 VanDerWaalsContact CG2-CZ 3.42Å; V175-F254 PolarHBondContact N-O 3.28Å; V175-F254 PolarHBondContact O-N 3Å; V175-F254 VanDerWaalsContact O-O 3.08Å; V175-F296 HydrophobicContact CG2-CD2 3.87Å; V175-L299 HydrophobicContact CG1-CD1 3.6Å; V175-L299 HydrophobicContact CG2-CD1 4.15Å
176M95.3Very high93Very high3 Ų326.9 Ų26.92%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-146.4137.3-174.4-160.46252.100112.3V174 A178 L202 L203 D204 I255 F269V174-M176 HydrophobicContact CG1-CB 4.18Å; V174-M176 HydrophobicContact CG1-CE 3.91Å; M176-A178 WeakPolarHBondContact CG-O 3.44Å; M176-L202 PolarHBondContact N-O 3.11Å; M176-L203 HydrophobicContact CB-CD2 3.98Å; M176-L203 WeakPolarHBondContact O-CA 3.13Å; M176-D204 PolarHBondContact O-N 2.73Å; M176-I255 HydrophobicContact CE-CG1 4.47Å; M176-F269 HydrophobicContact CE-CD1 3.47Å; M176-F269 VanDerWaalsContact CE-CD1 3.47Å; M176-F269 HydrophobicContact CE-CD2 4.15Å; M176-F269 HydrophobicContact CE-CE1 3.4Å; M176-F269 HydrophobicContact CE-CE2 4.07Å; M176-F269 HydrophobicContact CE-CG 3.88Å; M176-F269 HydrophobicContact CE-CZ 3.72Å; M176-F269 HydrophobicContact CG-CB 4.14Å; M176-F269 HydrophobicContact CG-CD1 4.49Å; M176-F269 HydrophobicContact CG-CD2 4.46Å; M176-F269 HydrophobicContact CG-CG 4.11Å; M176-F269 HydrophobicContact SD-CB 4.42Å; M176-F269 HydrophobicContact SD-CD1 3.85Å; M176-F269 HydrophobicContact SD-CE1 4.37Å; M176-F269 HydrophobicContact SD-CG 4.07Å
177D94Very high93.1Very high31 Ų3124 Ų2417%0.16612%0.119CC..SBendtrans-67-47.3173.266.2-42000112.7D204 N207 S253 S268D177-D204 WeakPolarHBondContact O-CB 3.29Å; D177-N207 VanDerWaalsContact O-CB 3.25Å; D177-N207 WeakPolarHBondContact O-CB 3.3Å; D177-N207 PolarHBondContact O-ND2 3.16Å; D177-S253 PolarHBondContact N-OG 3.49Å; D177-S253 PolarHBondContact OD1-OG 3.36Å; D177-S268 VanDerWaalsContact CG-OG 3.3Å; D177-S268 WeakPolarHBondContact OD1-CA 3.05Å; D177-S268 WeakPolarHBondContact OD1-CB 3.44Å; D177-S268 PolarHBondContact OD1-OG 3.45Å; D177-S268 WeakPolarHBondContact OD2-CB 3.34Å; D177-S268 PolarHBondContact OD2-OG 2.85Å
178A92.4Very high93.3Very high22 Ų2218.8 Ų18.818%0.18210%0.097CC..  trans-143.4139.3-178.600000111.6M176 N207 F269 T270M176-A178 WeakPolarHBondContact CG-O 3.44Å; A178-N207 HydrophobicContact CB-CB 4.33Å; A178-F269 PolarHBondContact O-N 3.18Å; A178-T270 HydrophobicContact CB-CG2 3.97Å
179F94.6Very high93.3Very high7 Ų718.8 Ų18.83%0.03110%0.096CC..BIsolated β-bridgetrans-141.6102.3-178.6-169.6-177.6000112D181 L184 L185 L188 L201 L203 F211 M214 F269F179-D181 WeakPolarHBondContact CE2-O 3.25Å; F179-L184 HydrophobicContact CE2-CB 4.3Å; F179-L185 HydrophobicContact CE1-CD1 4.35Å; F179-L185 HydrophobicContact CE2-CB 4.01Å; F179-L185 HydrophobicContact CZ-CB 3.74Å; F179-L185 HydrophobicContact CZ-CD1 4.04Å; F179-L185 HydrophobicContact CZ-CG 4.43Å; F179-L188 HydrophobicContact CE1-CD1 3.86Å; F179-L188 HydrophobicContact CZ-CD1 3.71Å; F179-L201 HydrophobicContact CE1-CD1 4.02Å; F179-L203 HydrophobicContact CB-CD2 4.12Å; F179-L203 HydrophobicContact CD1-CD1 4.37Å; F179-L203 HydrophobicContact CD1-CD2 3.98Å; F179-F211 HydrophobicContact CB-CD2 4.1Å; F179-F211 AromaticContact CD1-CD2 3.49Å; F179-F211 HydrophobicContact CD1-CD2 3.49Å; F179-F211 VanDerWaalsContact CD1-CD2 3.49Å; F179-F211 AromaticContact CD1-CE2 3.58Å; F179-F211 HydrophobicContact CD1-CE2 3.58Å; F179-F211 HydrophobicContact CE1-CD2 4.01Å; F179-F211 AromaticContact CE1-CE2 3.63Å; F179-F211 HydrophobicContact CE1-CE2 3.63Å; F179-F211 AromaticContact CG-CD2 3.78Å; F179-F211 HydrophobicContact CG-CD2 3.78Å; F179-F211 HydrophobicContact CG-CE2 4.27Å; F179-F211 HydrophobicContact CZ-CE2 4.33Å; F179-F211 WeakPolarHBondContact O-CA 3.23Å; F179-F211 WeakPolarHBondContact O-CB 3.43Å; F179-F211 PolarHBondContact O-N 2.76Å; F179-M214 HydrophobicContact CD2-CE 3.98Å; F179-M214 HydrophobicContact CE2-CE 4.15Å; F179-M214 HydrophobicContact CG-CE 4.4Å; F179-M214 WeakPolarHBondContact O-CE 3.42Å; F179-F269 CarbonylContact C-O 3.57Å; F179-F269 WeakPolarHBondContact CA-O 3.25Å; F179-F269 HydrophobicContact CB-CB 4.15Å; F179-F269 HydrophobicContact CD1-CD2 4.2Å; F179-F269 HydrophobicContact CD2-CB 3.45Å; F179-F269 VanDerWaalsContact CD2-CB 3.45Å; F179-F269 AromaticContact CD2-CD2 3.91Å; F179-F269 HydrophobicContact CD2-CD2 3.91Å; F179-F269 HydrophobicContact CD2-CG 4.21Å; F179-F269 HydrophobicContact CE1-CD2 4.13Å; F179-F269 HydrophobicContact CE2-CB 4.02Å; F179-F269 AromaticContact CE2-CD2 3.83Å; F179-F269 HydrophobicContact CE2-CD2 3.83Å; F179-F269 HydrophobicContact CE2-CG 4.41Å; F179-F269 HydrophobicContact CG-CB 3.9Å; F179-F269 HydrophobicContact CG-CD2 4.1Å; F179-F269 AromaticContact CZ-CD2 3.95Å; F179-F269 HydrophobicContact CZ-CD2 3.95Å
180S93.7Very high93.3Very high9 Ų913.3 Ų13.36%0.0637%0.073CC..  trans-126.8-9.9176.9560000114.4E86 P182 M214 F269 T270E86-S180 VanDerWaalsContact OE2-CB 3.25Å; E86-S180 WeakPolarHBondContact OE2-CB 3.4Å; E86-S180 PolarHBondContact OE2-OG 2.64Å; S180-P182 VanDerWaalsContact O-CD 3.28Å; S180-P182 WeakPolarHBondContact O-CD 3.49Å; S180-M214 VanDerWaalsContact C-SD 3.54Å; S180-F269 PolarHBondContact N-O 3.41Å; S180-T270 WeakPolarHBondContact OG-CA 3.38Å
181D93.3Very high93.3Very high1 Ų17.6 Ų7.61%0.0054%0.043CC..  trans-75114.4-176.9-174-50.5000113K158 F179 E183 L184 L185 F269K158-D181 WeakPolarHBondContact CE-OD2 3.46Å; K158-D181 IonicContact NZ-OD1 2.69Å; K158-D181 IonicContact NZ-OD2 3.23Å; K158-D181 PolarHBondContact NZ-OD2 2.96Å; F179-D181 WeakPolarHBondContact CE2-O 3.25Å; D181-E183 PolarHBondContact O-N 2.61Å; D181-E183 VanDerWaalsContact OD1-CA 3.3Å; D181-E183 WeakPolarHBondContact OD1-CA 3.36Å; D181-E183 VanDerWaalsContact OD1-CB 3.25Å; D181-E183 WeakPolarHBondContact OD1-CB 3.33Å; D181-E183 PolarHBondContact OD1-N 2.88Å; D181-L184 HydrophobicContact CB-CB 4.22Å; D181-L184 HydrophobicContact CB-CD1 4.02Å; D181-L184 HydrophobicContact CB-CG 4.14Å; D181-L184 PolarHBondContact OD1-N 2.92Å; D181-L185 PolarHBondContact O-N 2.84Å; D181-F269 WeakPolarHBondContact CB-O 3.33Å; D181-F269 PolarHBondContact N-O 3.5Å
182P91.6Very high93.2Very high4 Ų47.1 Ų7.13%0.0264%0.041CC..Hα-helixtrans-76.9-17.5-177.533.1-37.4000113.7V21 F81 S180 C186 M214 L218V21-P182 HydrophobicContact CG1-CB 3.93Å; V21-P182 HydrophobicContact CG1-CG 4.07Å; F81-P182 HydrophobicContact CB-CG 3.79Å; S180-P182 VanDerWaalsContact O-CD 3.28Å; S180-P182 WeakPolarHBondContact O-CD 3.49Å; P182-C186 WeakPolarHBondContact O-CB 3.13Å; P182-C186 PolarHBondContact O-N 3.11Å; P182-C186 PolarHBondContact O-SG 2.92Å; P182-M214 HydrophobicContact CB-SD 4.16Å; P182-L218 HydrophobicContact CB-CD1 4.2Å; P182-L218 HydrophobicContact CB-CD2 4.3Å
183E90.6Very high92.8Very high16 Ų1610.5 Ų10.58%0.0755%0.053CC..Hα-helixtrans-74.3-44.6173.8-72.3-16288.800112.1V21 R24 K158 R162 D181 L185 C186 D187V21-E183 HydrophobicContact CG1-CG 4.46Å; V21-E183 HydrophobicContact CG2-CG 3.62Å; R24-E183 PolarHBondContact NH1-O 3.44Å; K158-E183 IonicContact NZ-OE2 2.96Å; K158-E183 PolarHBondContact NZ-OE2 3.2Å; R162-E183 IonicContact CZ-OE1 3.69Å; R162-E183 IonicContact NH1-OE1 3Å; R162-E183 PolarHBondContact NH1-OE1 2.97Å; R162-E183 IonicContact NH1-OE2 2.6Å; R162-E183 IonicContact NH2-OE1 3.3Å; R162-E183 PolarHBondContact NH2-OE1 2.89Å; D181-E183 PolarHBondContact O-N 2.61Å; D181-E183 VanDerWaalsContact OD1-CA 3.3Å; D181-E183 WeakPolarHBondContact OD1-CA 3.36Å; D181-E183 VanDerWaalsContact OD1-CB 3.25Å; D181-E183 WeakPolarHBondContact OD1-CB 3.33Å; D181-E183 PolarHBondContact OD1-N 2.88Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-C186 WeakPolarHBondContact O-CB 3.22Å; E183-C186 PolarHBondContact O-N 2.98Å; E183-C186 VanDerWaalsContact O-N 3.16Å; E183-D187 PolarHBondContact O-N 3.2Å; E183-D187 VanDerWaalsContact O-OD2 3.09Å
184L92.9Very high92.4Very high0 Ų016.6 Ų16.60%08%0.08CC..Hα-helixtrans-64.6-40175.8-65.7-179.8000110.3V161 R162 L165 F179 D181 C186 D187 L188 Y267 F269V161-L184 HydrophobicContact CG1-CD2 4.11Å; R162-L184 HydrophobicContact CG-CD2 3.65Å; L165-L184 HydrophobicContact CD1-CD2 4.37Å; F179-L184 HydrophobicContact CE2-CB 4.3Å; D181-L184 HydrophobicContact CB-CB 4.22Å; D181-L184 HydrophobicContact CB-CD1 4.02Å; D181-L184 HydrophobicContact CB-CG 4.14Å; D181-L184 PolarHBondContact OD1-N 2.92Å; L184-C186 PolarHBondContact O-N 2.82Å; L184-D187 PolarHBondContact O-N 3.23Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.89Å; L184-Y267 HydrophobicContact CD1-CE1 4.08Å; L184-F269 HydrophobicContact CD1-CB 4.07Å; L184-F269 HydrophobicContact CD1-CD1 3.7Å; L184-F269 HydrophobicContact CD1-CD2 4.28Å; L184-F269 HydrophobicContact CD1-CE1 4.13Å; L184-F269 HydrophobicContact CD1-CG 3.77Å
185L93.3Very high92.1Very high2 Ų220.3 Ų20.31%0.019%0.094CC..Hα-helixtrans-60.5-43170.1-176.755.6000111.9F179 D181 E183 D187 L188 L189 F211 M214 W215 L218 L220F179-L185 HydrophobicContact CE1-CD1 4.35Å; F179-L185 HydrophobicContact CE2-CB 4.01Å; F179-L185 HydrophobicContact CZ-CB 3.74Å; F179-L185 HydrophobicContact CZ-CD1 4.04Å; F179-L185 HydrophobicContact CZ-CG 4.43Å; D181-L185 PolarHBondContact O-N 2.84Å; E183-L185 VanDerWaalsContact C-N 3.32Å; L185-D187 VanDerWaalsContact C-N 3.34Å; L185-D187 PolarHBondContact O-N 2.77Å; L185-L188 PolarHBondContact O-N 2.7Å; L185-L189 HydrophobicContact CD1-CD1 4.04Å; L185-L189 HydrophobicContact CD1-CD2 4.46Å; L185-L189 HydrophobicContact CD1-CG 3.99Å; L185-L189 HydrophobicContact CG-CD1 3.99Å; L185-L189 HydrophobicContact CG-CG 4.35Å; L185-L189 WeakPolarHBondContact O-CB 3.49Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.29Å; L185-F211 HydrophobicContact CD1-CE2 4.12Å; L185-F211 HydrophobicContact CD1-CZ 4.48Å; L185-F211 HydrophobicContact CD2-CE2 4.35Å; L185-M214 HydrophobicContact CB-SD 4.38Å; L185-M214 HydrophobicContact CD2-CE 3.86Å; L185-M214 HydrophobicContact CD2-CG 4.24Å; L185-M214 HydrophobicContact CD2-SD 3.84Å; L185-W215 HydrophobicContact CD1-CE3 4.46Å; L185-W215 HydrophobicContact CD1-CZ3 4.23Å; L185-W215 HydrophobicContact CD2-CE3 4.15Å; L185-L218 HydrophobicContact CD2-CD1 3.59Å; L185-L220 HydrophobicContact CD2-CD1 4.14Å
186C91.6Very high91.8Very high2 Ų225.2 Ų25.21%0.01412%0.12CC..Hα-helixtrans-61-40.5173.4-74.60000112.6R24 V25 L28 P182 E183 L184 L189 E190R24-C186 HydrophobicContact CB-CB 4.43Å; V25-C186 WeakPolarHBondContact CG2-SG 3.23Å; L28-C186 HydrophobicContact CD1-CB 4.04Å; P182-C186 WeakPolarHBondContact O-CB 3.13Å; P182-C186 PolarHBondContact O-N 3.11Å; P182-C186 PolarHBondContact O-SG 2.92Å; E183-C186 WeakPolarHBondContact O-CB 3.22Å; E183-C186 PolarHBondContact O-N 2.98Å; E183-C186 VanDerWaalsContact O-N 3.16Å; L184-C186 PolarHBondContact O-N 2.82Å; C186-L189 PolarHBondContact O-N 3.15Å; C186-E190 WeakPolarHBondContact O-CB 3.44Å; C186-E190 PolarHBondContact O-N 3.17Å
187D92.9Very high91.6Very high1 Ų125.1 Ų25.11%0.00512%0.119CC..Hα-helixtrans-66.3-36.3178.2-78.8-56.5000112.7R24 R162 R166 E183 L184 L185 A191R24-D187 IonicContact CZ-OD1 2.6Å; R24-D187 IonicContact CZ-OD2 2.9Å; R24-D187 IonicContact NH1-OD1 3.36Å; R24-D187 IonicContact NH1-OD2 3.48Å; R24-D187 PolarHBondContact NH1-OD2 2.81Å; R24-D187 VanDerWaalsContact NH1-OD2 3.12Å; R24-D187 VanDerWaalsContact NH2-CG 3.26Å; R24-D187 IonicContact NH2-OD1 2.82Å; R24-D187 PolarHBondContact NH2-OD1 3.44Å; R24-D187 IonicContact NH2-OD2 3.19Å; R162-D187 IonicContact CZ-OD2 2.82Å; R162-D187 IonicContact NE-OD2 3.7Å; R162-D187 PolarHBondContact NE-OD2 3.25Å; R162-D187 IonicContact NH2-OD2 2.91Å; R162-D187 PolarHBondContact NH2-OD2 3.03Å; R166-D187 IonicContact CZ-OD1 2.9Å; R166-D187 VanDerWaalsContact CZ-OD1 3.3Å; R166-D187 IonicContact NE-OD1 3.12Å; R166-D187 PolarHBondContact NE-OD1 3.32Å; R166-D187 VanDerWaalsContact NE-OD1 3.11Å; R166-D187 IonicContact NH2-OD1 3.6Å; R166-D187 PolarHBondContact NH2-OD1 3.48Å; E183-D187 PolarHBondContact O-N 3.2Å; E183-D187 VanDerWaalsContact O-OD2 3.09Å; L184-D187 PolarHBondContact O-N 3.23Å; L185-D187 VanDerWaalsContact C-N 3.34Å; L185-D187 PolarHBondContact O-N 2.77Å; D187-A191 PolarHBondContact O-N 3.3Å
188L93.6Very high91.6Very high2 Ų224.6 Ų24.61%0.0112%0.119CC..Hα-helixtrans-69.1-45.8172.7-72.7164.4000112.9L165 L172 V174 F179 L184 L185 E190 A191 S192 V199 L201 F269L165-L188 HydrophobicContact CD1-CD2 4.29Å; L165-L188 HydrophobicContact CD1-CG 4.24Å; L165-L188 HydrophobicContact CD2-CD2 3.77Å; L172-L188 HydrophobicContact CD1-CD2 4.1Å; V174-L188 HydrophobicContact CG2-CD2 4.22Å; F179-L188 HydrophobicContact CE1-CD1 3.86Å; F179-L188 HydrophobicContact CZ-CD1 3.71Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.89Å; L185-L188 PolarHBondContact O-N 2.7Å; L188-E190 VanDerWaalsContact C-N 3.28Å; L188-E190 PolarHBondContact O-N 3.35Å; L188-A191 VanDerWaalsContact O-CB 3.26Å; L188-A191 WeakPolarHBondContact O-CB 3.49Å; L188-A191 PolarHBondContact O-N 3.43Å; L188-S192 PolarHBondContact O-N 2.89Å; L188-V199 HydrophobicContact CD2-CG1 3.98Å; L188-L201 HydrophobicContact CD1-CD2 4.07Å; L188-F269 HydrophobicContact CD1-CE2 4.22Å
189L91.8Very high91.7Very high2 Ų223.6 Ų23.61%0.0111%0.11CC..Hα-helixtrans-67.4-32.3177.1-66178.6000111.7L28 L185 C186 S192 R193 W215 L220 F225 V228L28-L189 HydrophobicContact CD1-CB 3.9Å; L28-L189 HydrophobicContact CD1-CD1 4.37Å; L28-L189 HydrophobicContact CD2-CB 4.14Å; L185-L189 HydrophobicContact CD1-CD1 4.04Å; L185-L189 HydrophobicContact CD1-CD2 4.46Å; L185-L189 HydrophobicContact CD1-CG 3.99Å; L185-L189 HydrophobicContact CG-CD1 3.99Å; L185-L189 HydrophobicContact CG-CG 4.35Å; L185-L189 WeakPolarHBondContact O-CB 3.49Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 3.29Å; C186-L189 PolarHBondContact O-N 3.15Å; L189-S192 PolarHBondContact O-N 3.46Å; L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.31Å; L189-R193 PolarHBondContact O-N 2.84Å; L189-W215 HydrophobicContact CD1-CH2 4.44Å; L189-W215 HydrophobicContact CD1-CZ3 4.14Å; L189-W215 HydrophobicContact CD2-CH2 4.09Å; L189-W215 HydrophobicContact CD2-CZ3 4.04Å; L189-L220 HydrophobicContact CD1-CD1 3.64Å; L189-L220 HydrophobicContact CD1-CD2 4.16Å; L189-F225 HydrophobicContact CB-CD1 4.38Å; L189-F225 HydrophobicContact CB-CE1 3.94Å; L189-F225 HydrophobicContact CB-CZ 4.35Å; L189-F225 HydrophobicContact CD1-CE2 4.31Å; L189-F225 HydrophobicContact CD1-CZ 4.14Å; L189-F225 HydrophobicContact CD2-CB 4.42Å; L189-F225 HydrophobicContact CD2-CD1 3.81Å; L189-F225 HydrophobicContact CD2-CD2 4.1Å; L189-F225 HydrophobicContact CD2-CE1 4.05Å; L189-F225 HydrophobicContact CD2-CE2 4.32Å; L189-F225 HydrophobicContact CD2-CG 3.85Å; L189-F225 HydrophobicContact CD2-CZ 4.3Å; L189-F225 HydrophobicContact CG-CE1 4.38Å; L189-F225 HydrophobicContact CG-CZ 4.5Å; L189-V228 HydrophobicContact CD2-CG2 3.95Å
190E90.6Very high91.7Very high40 Ų4023.4 Ų23.419%0.18711%0.109CC..Hα-helixtrans-68.9-36.1171.2-174.3162.4-169.400111.9R24 C186 L188 K194R24-E190 IonicContact CZ-OE2 2.94Å; R24-E190 IonicContact NE-OE2 3.21Å; R24-E190 IonicContact NH2-OE2 2.76Å; R24-E190 PolarHBondContact NH2-OE2 2.9Å; C186-E190 WeakPolarHBondContact O-CB 3.44Å; C186-E190 PolarHBondContact O-N 3.17Å; L188-E190 VanDerWaalsContact C-N 3.28Å; L188-E190 PolarHBondContact O-N 3.35Å; E190-K194 HydrophobicContact CG-CB 4.47Å; E190-K194 HydrophobicContact CG-CD 3.73Å; E190-K194 HydrophobicContact CG-CG 4.07Å; E190-K194 VanDerWaalsContact O-CB 3.31Å; E190-K194 WeakPolarHBondContact O-CB 3.35Å; E190-K194 PolarHBondContact O-N 2.94Å; E190-K194 WeakPolarHBondContact OE1-CD 3.27Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.46Å; E190-K194 IonicContact OE1-NZ 2.77Å; E190-K194 PolarHBondContact OE1-NZ 3.45Å
191A91.4Very high91.7Very high0 Ų023.1 Ų23.10%011%0.107CC..Hα-helixtrans-58.5-52.6168.700000111.6L172 D187 L188 R195 N196 V197L172-A191 HydrophobicContact CD1-CB 3.98Å; D187-A191 PolarHBondContact O-N 3.3Å; L188-A191 VanDerWaalsContact O-CB 3.26Å; L188-A191 WeakPolarHBondContact O-CB 3.49Å; L188-A191 PolarHBondContact O-N 3.43Å; A191-R195 CarbonylContact O-C 3.52Å; A191-R195 WeakPolarHBondContact O-CA 3.08Å; A191-R195 VanDerWaalsContact O-CB 3.31Å; A191-R195 WeakPolarHBondContact O-CB 3.49Å; A191-R195 PolarHBondContact O-N 3.46Å; A191-R195 VanDerWaalsContact O-N 3.08Å; A191-N196 PolarHBondContact O-N 3.02Å; A191-V197 HydrophobicContact CB-CB 4.17Å; A191-V197 HydrophobicContact CB-CG2 4.36Å; A191-V197 PolarHBondContact O-N 2.74Å
192S90.8Very high91.8Very high7 Ų723.1 Ų23.15%0.04911%0.107CC..Hα-helixtrans-66.4-44.1-176.9-164.10000112.4L188 L189 N196 V197 K227L188-S192 PolarHBondContact O-N 2.89Å; L189-S192 PolarHBondContact O-N 3.46Å; S192-N196 VanDerWaalsContact O-CA 3.27Å; S192-N196 WeakPolarHBondContact O-CA 3.28Å; S192-N196 PolarHBondContact O-N 3.21Å; S192-V197 WeakPolarHBondContact CA-O 3.25Å; S192-V197 PolarHBondContact OG-O 3.42Å; S192-K227 VanDerWaalsContact OG-C 3.25Å; S192-K227 WeakPolarHBondContact OG-CB 3.44Å; S192-K227 PolarHBondContact OG-O 3.06Å; S192-K227 VanDerWaalsContact OG-O 3.08Å
193R87.2Confident92Very high71 Ų7123.2 Ų23.227%0.26811%0.107SC..Hα-helixtrans-85.4-35.4-174-174173.9165.7-157-13.3114.9G27 L28 I30 S32 L189 F225G27-R193 PolarHBondContact O-NH1 2.74Å; L28-R193 VanDerWaalsContact C-NH1 3.3Å; L28-R193 PolarHBondContact O-NH1 3.35Å; I30-R193 PolarHBondContact O-NH1 3.29Å; I30-R193 PolarHBondContact O-NH2 3.41Å; S32-R193 PolarHBondContact OG-NH2 3.36Å; L189-R193 VanDerWaalsContact O-CB 3.26Å; L189-R193 WeakPolarHBondContact O-CB 3.31Å; L189-R193 PolarHBondContact O-N 2.84Å; R193-F225 HydrophobicContact CB-CD1 4.32Å; R193-F225 HydrophobicContact CB-CE1 4.13Å
194K87.6Confident92.2Very high127 Ų12722.5 Ų22.555%0.55210%0.104SC*.Hα-helixtrans-95.4-40.4179.4-61.1-168.8-172.6172.70113.2E190E190-K194 HydrophobicContact CG-CB 4.47Å; E190-K194 HydrophobicContact CG-CD 3.73Å; E190-K194 HydrophobicContact CG-CG 4.07Å; E190-K194 VanDerWaalsContact O-CB 3.31Å; E190-K194 WeakPolarHBondContact O-CB 3.35Å; E190-K194 PolarHBondContact O-N 2.94Å; E190-K194 WeakPolarHBondContact OE1-CD 3.27Å; E190-K194 VanDerWaalsContact OE1-CE 3.27Å; E190-K194 WeakPolarHBondContact OE1-CE 3.46Å; E190-K194 IonicContact OE1-NZ 2.77Å; E190-K194 PolarHBondContact OE1-NZ 3.45Å
195R88.3Confident92.1Very high78 Ų7827.2 Ų27.229%0.29413%0.126SC..SBendtrans-94-3-179.8-70.1178.1-80.9146.4-7.7113.7L165 R166 A168 A191 V197L165-R195 VanDerWaalsContact O-CZ 3.31Å; L165-R195 PolarHBondContact O-NH1 3.16Å; L165-R195 PolarHBondContact O-NH2 2.93Å; R166-R195 PolarHBondContact O-NH1 3.47Å; A168-R195 PolarHBondContact O-NH1 3.48Å; A191-R195 CarbonylContact O-C 3.52Å; A191-R195 WeakPolarHBondContact O-CA 3.08Å; A191-R195 VanDerWaalsContact O-CB 3.31Å; A191-R195 WeakPolarHBondContact O-CB 3.49Å; A191-R195 PolarHBondContact O-N 3.46Å; A191-R195 VanDerWaalsContact O-N 3.08Å; R195-V197 HydrophobicContact CB-CG2 3.72Å; R195-V197 PolarHBondContact O-N 2.8Å
196N89.9Confident91.8Very high105 Ų10531.4 Ų31.456%0.56115%0.151SC*.  trans62.522.8180-160.116.9000113.6A191 S192 K227A191-N196 PolarHBondContact O-N 3.02Å; S192-N196 VanDerWaalsContact O-CA 3.27Å; S192-N196 WeakPolarHBondContact O-CA 3.28Å; S192-N196 PolarHBondContact O-N 3.21Å; N196-K227 VanDerWaalsContact CG-NZ 3.29Å; N196-K227 WeakPolarHBondContact O-CD 3.39Å; N196-K227 PolarHBondContact O-NZ 3.43Å; N196-K227 WeakPolarHBondContact OD1-CD 3.49Å; N196-K227 WeakPolarHBondContact OD1-CE 3.27Å; N196-K227 PolarHBondContact OD1-NZ 3.24Å
197V92.5Very high91.7Very high0 Ų033.5 Ų33.50%016%0.162CC..  trans-72.1138.6-178176.20000110.9L172 A191 S192 R195 V199L172-V197 HydrophobicContact CB-CG1 4.32Å; L172-V197 HydrophobicContact CD1-CG1 4.11Å; L172-V197 HydrophobicContact CG-CG1 4.06Å; A191-V197 HydrophobicContact CB-CB 4.17Å; A191-V197 HydrophobicContact CB-CG2 4.36Å; A191-V197 PolarHBondContact O-N 2.74Å; S192-V197 WeakPolarHBondContact CA-O 3.25Å; S192-V197 PolarHBondContact OG-O 3.42Å; R195-V197 HydrophobicContact CB-CG2 3.72Å; R195-V197 PolarHBondContact O-N 2.8Å; V197-V199 HydrophobicContact CG1-CG2 4.28Å; V197-V199 PolarHBondContact O-N 3.35Å
198S92.9Very high91.6Very high21 Ų2134.6 Ų34.615%0.14717%0.168CC..EExtended strand (participates in β ladder)trans-80.4114.5170.7-66.10000109.8L170 V171 L172L170-S198 PolarHBondContact O-N 2.76Å; V171-S198 WeakPolarHBondContact CA-O 3.5Å; L172-S198 PolarHBondContact N-O 2.92Å
199V94.5Very high91.5Very high0 Ų041.8 Ų41.80%020%0.202CC..EExtended strand (participates in β ladder)trans-106.5121.7-178.3-176.80000109.7L172 L188 V197 L201 K227 V228 S229 I313L172-V199 HydrophobicContact CB-CG2 4.41Å; L172-V199 CarbonylContact O-C 3.59Å; L172-V199 WeakPolarHBondContact O-CA 3.35Å; L188-V199 HydrophobicContact CD2-CG1 3.98Å; V197-V199 HydrophobicContact CG1-CG2 4.28Å; V197-V199 PolarHBondContact O-N 3.35Å; V199-L201 HydrophobicContact CG1-CD2 3.66Å; V199-L201 HydrophobicContact CG1-CG 4.06Å; V199-K227 PolarHBondContact N-O 3.27Å; V199-V228 HydrophobicContact CB-CG2 4.26Å; V199-V228 CarbonylContact O-C 3.42Å; V199-V228 WeakPolarHBondContact O-CA 3.23Å; V199-S229 PolarHBondContact O-N 2.6Å; V199-I313 WeakPolarHBondContact O-CD1 3.02Å
200H93.9Very high91.4Very high4 Ų443 Ų432%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-112.5121.4172.8-58.4-105.1000108.8L172 V174 F296L172-H200 PolarHBondContact O-N 3.49Å; V174-H200 PolarHBondContact N-O 3.09Å; H200-F296 HydrophobicContact CB-CE2 4.27Å; H200-F296 HydrophobicContact CB-CZ 3.73Å
201L95.1Very high91.5Very high2 Ų241.1 Ų41.11%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-112.5114.5177.3-53.4-176.4000108.9V174 F179 L188 V199 F211 S229 V230 R231V174-L201 HydrophobicContact CB-CD2 3.68Å; V174-L201 HydrophobicContact CG1-CD2 4.39Å; V174-L201 HydrophobicContact CG2-CD2 3.65Å; F179-L201 HydrophobicContact CE1-CD1 4.02Å; L188-L201 HydrophobicContact CD1-CD2 4.07Å; V199-L201 HydrophobicContact CG1-CD2 3.66Å; V199-L201 HydrophobicContact CG1-CG 4.06Å; L201-F211 HydrophobicContact CD1-CE2 4.38Å; L201-F211 HydrophobicContact CD1-CZ 4.26Å; L201-S229 PolarHBondContact N-O 2.96Å; L201-V230 HydrophobicContact CB-CG1 4.37Å; L201-V230 HydrophobicContact CD1-CG2 4.19Å; L201-R231 PolarHBondContact O-N 2.67Å
202L95.3Very high91.5Very high1 Ų143 Ų431%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-101.8112.4167.2-60.3-170.2000107.9V174 V175 M176 R231 V233 F296 L299 H300V174-L202 PolarHBondContact O-N 3.26Å; V175-L202 WeakPolarHBondContact CA-O 3.4Å; V175-L202 HydrophobicContact CG1-CB 4.43Å; V175-L202 HydrophobicContact CG2-CB 4.26Å; V175-L202 HydrophobicContact CG2-CD1 4.2Å; M176-L202 PolarHBondContact N-O 3.11Å; L202-R231 WeakPolarHBondContact CA-O 3.44Å; L202-R231 HydrophobicContact CD2-CB 3.8Å; L202-R231 HydrophobicContact CD2-CG 4.41Å; L202-V233 HydrophobicContact CB-CG2 3.78Å; L202-V233 HydrophobicContact CD1-CG2 4.38Å; L202-V233 HydrophobicContact CD2-CG2 4.4Å; L202-V233 HydrophobicContact CG-CG2 4.4Å; L202-F296 HydrophobicContact CD1-CD2 3.73Å; L202-F296 HydrophobicContact CD1-CE2 3.58Å; L202-F296 HydrophobicContact CD1-CZ 4.27Å; L202-F296 HydrophobicContact CG-CD2 4.29Å; L202-F296 HydrophobicContact CG-CE2 3.7Å; L202-F296 HydrophobicContact CG-CZ 4.37Å; L202-L299 HydrophobicContact CD1-CB 3.68Å; L202-H300 HydrophobicContact CD1-CB 4.11Å; L202-H300 HydrophobicContact CD2-CB 4.4Å
203L95.1Very high91.6Very high7 Ų744.9 Ų44.94%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-113.8147.1-178.3-54.2179.9000110.1M176 F179 L208 F211 V230 R231 S232 V233M176-L203 HydrophobicContact CB-CD2 3.98Å; M176-L203 WeakPolarHBondContact O-CA 3.13Å; F179-L203 HydrophobicContact CB-CD2 4.12Å; F179-L203 HydrophobicContact CD1-CD1 4.37Å; F179-L203 HydrophobicContact CD1-CD2 3.98Å; L203-L208 HydrophobicContact CB-CD1 4.42Å; L203-L208 HydrophobicContact CD1-CD1 4.32Å; L203-F211 HydrophobicContact CD1-CB 3.93Å; L203-F211 HydrophobicContact CD1-CD1 3.71Å; L203-F211 HydrophobicContact CD1-CD2 3.79Å; L203-F211 HydrophobicContact CD1-CE1 4.18Å; L203-F211 HydrophobicContact CD1-CE2 4.24Å; L203-F211 HydrophobicContact CD1-CG 3.5Å; L203-F211 HydrophobicContact CD1-CZ 4.43Å; L203-V230 HydrophobicContact CD1-CG1 4.06Å; L203-R231 PolarHBondContact N-O 3.28Å; L203-S232 CarbonylContact O-C 3.58Å; L203-S232 VanDerWaalsContact O-CA 3.31Å; L203-S232 WeakPolarHBondContact O-CA 3.3Å; L203-V233 PolarHBondContact O-N 3.14Å
204D94.4Very high91.8Very high1 Ų142.2 Ų42.21%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-55.5153.3172178.759.6000112.5M176 D177 V206 N207 L208 Q249 I250M176-D204 PolarHBondContact O-N 2.73Å; D177-D204 WeakPolarHBondContact O-CB 3.29Å; D204-V206 WeakPolarHBondContact OD2-CA 3.28Å; D204-V206 VanDerWaalsContact OD2-CB 3.23Å; D204-V206 WeakPolarHBondContact OD2-CB 3.14Å; D204-V206 PolarHBondContact OD2-N 3.01Å; D204-N207 PolarHBondContact OD2-N 3.46Å; D204-L208 WeakPolarHBondContact O-CB 3.49Å; D204-L208 PolarHBondContact O-N 2.93Å; D204-Q249 VanDerWaalsContact OD1-CA 3.23Å; D204-Q249 WeakPolarHBondContact OD1-CA 3.36Å; D204-I250 HydrophobicContact CB-CB 4.33Å; D204-I250 PolarHBondContact OD1-N 2.83Å
205H90.9Very high92Very high98 Ų9836.9 Ų36.945%0.45420%0.198SC..SBendtrans-75.5-34.4-179.8-175.730.7000114.4S232 V233 P234H205-S232 VanDerWaalsContact CA-OG 3.31Å; H205-S232 WeakPolarHBondContact CA-OG 3.47Å; H205-V233 PolarHBondContact N-O 2.67Å; H205-P234 HydrophobicContact CB-CB 4.47Å
206V88.5Confident92.1Very high90 Ų9039.4 Ų39.455%0.54521%0.213SC..SBendtrans-74.6-46.9-178.2-170.70000110D204 L208 Q249D204-V206 WeakPolarHBondContact OD2-CA 3.28Å; D204-V206 VanDerWaalsContact OD2-CB 3.23Å; D204-V206 WeakPolarHBondContact OD2-CB 3.14Å; D204-V206 PolarHBondContact OD2-N 3.01Å; V206-L208 VanDerWaalsContact C-N 3.28Å; V206-L208 PolarHBondContact O-N 2.99Å; V206-Q249 HydrophobicContact CG2-CB 4.42Å
207N88.6Confident92Very high46 Ų4638.6 Ų38.625%0.24621%0.206CC..THydrogen-bonded Turntrans-81.9-1.6-176.3-63-28.7000114.3D177 A178 D204 E209 G210D177-N207 VanDerWaalsContact O-CB 3.25Å; D177-N207 WeakPolarHBondContact O-CB 3.3Å; D177-N207 PolarHBondContact O-ND2 3.16Å; A178-N207 HydrophobicContact CB-CB 4.33Å; D204-N207 PolarHBondContact OD2-N 3.46Å; N207-E209 PolarHBondContact O-N 2.75Å; N207-G210 PolarHBondContact O-N 3.12Å
208L91.4Very high91.8Very high25 Ų2538.7 Ų38.713%0.13121%0.206CC..Hα-helixtrans-56.7-32-178.4-176.965.6000113.6L203 D204 V206 G210 F211 V212 V306L203-L208 HydrophobicContact CB-CD1 4.42Å; L203-L208 HydrophobicContact CD1-CD1 4.32Å; D204-L208 WeakPolarHBondContact O-CB 3.49Å; D204-L208 PolarHBondContact O-N 2.93Å; V206-L208 VanDerWaalsContact C-N 3.28Å; V206-L208 PolarHBondContact O-N 2.99Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.94Å; L208-F211 PolarHBondContact O-N 2.72Å; L208-V212 HydrophobicContact CD1-CG2 4.29Å; L208-V212 HydrophobicContact CG-CG2 4.1Å; L208-V212 WeakPolarHBondContact O-CG2 3.4Å; L208-V212 PolarHBondContact O-N 2.95Å; L208-V306 HydrophobicContact CD1-CG1 4.34Å; L208-V306 HydrophobicContact CD1-CG2 3.84Å; L208-V306 HydrophobicContact CD2-CG1 4.31Å; L208-V306 HydrophobicContact CD2-CG2 4.2Å
209E90.4Very high91.4Very high152 Ų15244.9 Ų44.971%0.7123%0.23SC*.Hα-helixtrans-60.4-40.7-177.2-173167-172.100112.1N207 F211 V212 S213N207-E209 PolarHBondContact O-N 2.75Å; E209-F211 PolarHBondContact O-N 2.82Å; E209-V212 PolarHBondContact O-N 2.9Å; E209-S213 PolarHBondContact O-N 2.93Å; E209-S213 PolarHBondContact O-OG 2.91Å
210G89.5Confident91Very high28 Ų2845.6 Ų45.629%0.28923%0.234SC..Hα-helixtrans-60.4-43.2176.800000112.9N207 L208 M214N207-G210 PolarHBondContact O-N 3.12Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.94Å; G210-M214 WeakPolarHBondContact O-CB 3.39Å; G210-M214 PolarHBondContact O-N 3.25Å
211F92.9Very high90.5Very high1 Ų150.1 Ų50.10%0.00426%0.258CS..Hα-helixtrans-64.3-41.4175.5177.6-95.1000112.1F179 L185 L201 L203 L208 E209 M214 W215 V230 F309F179-F211 HydrophobicContact CB-CD2 4.1Å; F179-F211 AromaticContact CD1-CD2 3.49Å; F179-F211 HydrophobicContact CD1-CD2 3.49Å; F179-F211 VanDerWaalsContact CD1-CD2 3.49Å; F179-F211 AromaticContact CD1-CE2 3.58Å; F179-F211 HydrophobicContact CD1-CE2 3.58Å; F179-F211 HydrophobicContact CE1-CD2 4.01Å; F179-F211 AromaticContact CE1-CE2 3.63Å; F179-F211 HydrophobicContact CE1-CE2 3.63Å; F179-F211 AromaticContact CG-CD2 3.78Å; F179-F211 HydrophobicContact CG-CD2 3.78Å; F179-F211 HydrophobicContact CG-CE2 4.27Å; F179-F211 HydrophobicContact CZ-CE2 4.33Å; F179-F211 WeakPolarHBondContact O-CA 3.23Å; F179-F211 WeakPolarHBondContact O-CB 3.43Å; F179-F211 PolarHBondContact O-N 2.76Å; L185-F211 HydrophobicContact CD1-CE2 4.12Å; L185-F211 HydrophobicContact CD1-CZ 4.48Å; L185-F211 HydrophobicContact CD2-CE2 4.35Å; L201-F211 HydrophobicContact CD1-CE2 4.38Å; L201-F211 HydrophobicContact CD1-CZ 4.26Å; L203-F211 HydrophobicContact CD1-CB 3.93Å; L203-F211 HydrophobicContact CD1-CD1 3.71Å; L203-F211 HydrophobicContact CD1-CD2 3.79Å; L203-F211 HydrophobicContact CD1-CE1 4.18Å; L203-F211 HydrophobicContact CD1-CE2 4.24Å; L203-F211 HydrophobicContact CD1-CG 3.5Å; L203-F211 HydrophobicContact CD1-CZ 4.43Å; L208-F211 PolarHBondContact O-N 2.72Å; E209-F211 PolarHBondContact O-N 2.82Å; F211-M214 HydrophobicContact CD2-CE 3.56Å; F211-M214 HydrophobicContact CE2-CE 4.07Å; F211-M214 HydrophobicContact CG-CE 4.39Å; F211-W215 HydrophobicContact CE1-CE3 4.45Å; F211-W215 HydrophobicContact CZ-CE3 4.01Å; F211-W215 WeakPolarHBondContact O-CB 3.5Å; F211-W215 PolarHBondContact O-N 3.45Å; F211-V230 HydrophobicContact CD1-CG1 4.35Å; F211-V230 HydrophobicContact CE1-CG1 3.73Å; F211-V230 HydrophobicContact CE1-CG2 4.34Å; F211-V230 HydrophobicContact CZ-CG1 4.25Å; F211-V230 HydrophobicContact CZ-CG2 4.35Å; F211-F309 HydrophobicContact CE1-CE1 4.21Å; F211-F309 HydrophobicContact CE1-CE2 4.36Å; F211-F309 AromaticContact CE1-CZ 3.69Å; F211-F309 HydrophobicContact CE1-CZ 3.69Å; F211-F309 HydrophobicContact CZ-CZ 4.48Å
212V92.3Very high89.9Confident38 Ų3851 Ų5123%0.2326%0.264CS..Hα-helixtrans-69.1-38.3-179.2169.10000111.6L208 E209 W215 Q216 V306L208-V212 HydrophobicContact CD1-CG2 4.29Å; L208-V212 HydrophobicContact CG-CG2 4.1Å; L208-V212 WeakPolarHBondContact O-CG2 3.4Å; L208-V212 PolarHBondContact O-N 2.95Å; E209-V212 PolarHBondContact O-N 2.9Å; V212-W215 PolarHBondContact O-N 3.29Å; V212-Q216 VanDerWaalsContact CG1-NE2 3.29Å; V212-Q216 WeakPolarHBondContact O-CG 3.45Å; V212-Q216 PolarHBondContact O-N 3.4Å; V212-V306 HydrophobicContact CG2-CG1 4.28Å
213S91.8Very high89.2Confident47 Ų4760.9 Ų60.933%0.32930%0.301SS..Hα-helixtrans-65.3-50.6173.7-64.50000111.5E209 W215 Q216 E217E209-S213 PolarHBondContact O-N 2.93Å; E209-S213 PolarHBondContact O-OG 2.91Å; S213-W215 VanDerWaalsContact C-N 3.28Å; S213-W215 PolarHBondContact O-N 3.15Å; S213-Q216 PolarHBondContact O-N 2.97Å; S213-E217 WeakPolarHBondContact O-CG 3.3Å; S213-E217 PolarHBondContact O-N 2.93Å
214M92.6Very high88.7Confident15 Ų1562.8 Ų62.87%0.07431%0.311CS..Hα-helixtrans-51-47.7172.8168.4-178.548.100111.3F179 S180 P182 L185 G210 F211 Q216 E217 L218F179-M214 HydrophobicContact CD2-CE 3.98Å; F179-M214 HydrophobicContact CE2-CE 4.15Å; F179-M214 HydrophobicContact CG-CE 4.4Å; F179-M214 WeakPolarHBondContact O-CE 3.42Å; S180-M214 VanDerWaalsContact C-SD 3.54Å; P182-M214 HydrophobicContact CB-SD 4.16Å; L185-M214 HydrophobicContact CB-SD 4.38Å; L185-M214 HydrophobicContact CD2-CE 3.86Å; L185-M214 HydrophobicContact CD2-CG 4.24Å; L185-M214 HydrophobicContact CD2-SD 3.84Å; G210-M214 WeakPolarHBondContact O-CB 3.39Å; G210-M214 PolarHBondContact O-N 3.25Å; F211-M214 HydrophobicContact CD2-CE 3.56Å; F211-M214 HydrophobicContact CE2-CE 4.07Å; F211-M214 HydrophobicContact CG-CE 4.39Å; M214-Q216 VanDerWaalsContact C-N 3.3Å; M214-Q216 PolarHBondContact O-N 2.75Å; M214-E217 PolarHBondContact O-N 2.85Å; M214-L218 HydrophobicContact CG-CD1 3.5Å; M214-L218 HydrophobicContact CG-CG 4.19Å; M214-L218 VanDerWaalsContact O-CB 3.22Å; M214-L218 WeakPolarHBondContact O-CB 3.23Å; M214-L218 WeakPolarHBondContact O-CD1 3.32Å; M214-L218 WeakPolarHBondContact O-CG 3.41Å; M214-L218 PolarHBondContact O-N 3.3Å; M214-L218 HydrophobicContact SD-CD1 4.18Å
215W90.6Very high88.3Confident16 Ų1662.9 Ų62.96%0.06131%0.312CS..Hα-helixtrans-61-37.4-179.7-175-81.7000113.1L185 L189 F211 V212 S213 K219 L220 F225 F309L185-W215 HydrophobicContact CD1-CE3 4.46Å; L185-W215 HydrophobicContact CD1-CZ3 4.23Å; L185-W215 HydrophobicContact CD2-CE3 4.15Å; L189-W215 HydrophobicContact CD1-CH2 4.44Å; L189-W215 HydrophobicContact CD1-CZ3 4.14Å; L189-W215 HydrophobicContact CD2-CH2 4.09Å; L189-W215 HydrophobicContact CD2-CZ3 4.04Å; F211-W215 HydrophobicContact CE1-CE3 4.45Å; F211-W215 HydrophobicContact CZ-CE3 4.01Å; F211-W215 WeakPolarHBondContact O-CB 3.5Å; F211-W215 PolarHBondContact O-N 3.45Å; V212-W215 PolarHBondContact O-N 3.29Å; S213-W215 VanDerWaalsContact C-N 3.28Å; S213-W215 PolarHBondContact O-N 3.15Å; W215-K219 PolarHBondContact O-N 3.18Å; W215-L220 HydrophobicContact CD2-CB 3.84Å; W215-L220 HydrophobicContact CD2-CD1 4.02Å; W215-L220 VanDerWaalsContact CE2-CB 3.4Å; W215-L220 HydrophobicContact CE3-CB 4.32Å; W215-L220 HydrophobicContact CE3-CD1 3.77Å; W215-L220 HydrophobicContact CG-CB 4.33Å; W215-L220 HydrophobicContact CH2-CB 4.05Å; W215-L220 HydrophobicContact CH2-CD1 4.26Å; W215-L220 HydrophobicContact CZ2-CB 3.52Å; W215-L220 HydrophobicContact CZ2-CD1 4.48Å; W215-L220 HydrophobicContact CZ3-CB 4.42Å; W215-L220 HydrophobicContact CZ3-CD1 3.91Å; W215-L220 PolarHBondContact NE1-O 3.15Å; W215-L220 PolarHBondContact O-N 3.39Å; W215-F225 AromaticContact CH2-CD2 3.95Å; W215-F225 HydrophobicContact CH2-CD2 3.95Å; W215-F225 HydrophobicContact CH2-CE2 4.39Å; W215-F225 HydrophobicContact CZ2-CD2 4.34Å; W215-F309 HydrophobicContact CB-CZ 4.46Å; W215-F309 AromaticContact CD2-CE1 3.62Å; W215-F309 HydrophobicContact CD2-CE1 3.62Å; W215-F309 AromaticContact CD2-CZ 3.69Å; W215-F309 HydrophobicContact CD2-CZ 3.69Å; W215-F309 AromaticContact CE2-CE1 3.58Å; W215-F309 AromaticContact CE2-CZ 3.94Å; W215-F309 AromaticContact CE3-CE1 3.8Å; W215-F309 HydrophobicContact CE3-CE1 3.8Å; W215-F309 HydrophobicContact CE3-CZ 4.11Å; W215-F309 HydrophobicContact CG-CE1 4.24Å; W215-F309 AromaticContact CG-CZ 3.82Å; W215-F309 HydrophobicContact CG-CZ 3.82Å; W215-F309 AromaticContact CH2-CE1 3.97Å; W215-F309 HydrophobicContact CH2-CE1 3.97Å; W215-F309 AromaticContact CZ2-CE1 3.79Å; W215-F309 HydrophobicContact CZ2-CE1 3.79Å; W215-F309 AromaticContact CZ3-CE1 3.97Å; W215-F309 HydrophobicContact CZ3-CE1 3.97Å
216Q90.4Very high87.9Confident130 Ų13061 Ų6161%0.60731%0.308SS*.Hα-helixtrans-73.2-42.8178-71.9178.754.600112.6V212 S213 M214 L218 K219V212-Q216 VanDerWaalsContact CG1-NE2 3.29Å; V212-Q216 WeakPolarHBondContact O-CG 3.45Å; V212-Q216 PolarHBondContact O-N 3.4Å; S213-Q216 PolarHBondContact O-N 2.97Å; M214-Q216 VanDerWaalsContact C-N 3.3Å; M214-Q216 PolarHBondContact O-N 2.75Å; Q216-L218 VanDerWaalsContact C-N 3.32Å; Q216-L218 PolarHBondContact O-N 2.77Å; Q216-K219 WeakPolarHBondContact O-CA 3.24Å; Q216-K219 WeakPolarHBondContact O-CG 3.45Å; Q216-K219 PolarHBondContact O-N 2.69Å
217E88.9Confident87.9Confident89 Ų8960 Ų6042%0.41630%0.296SS..Hα-helixtrans-63.1-40174.7-70.7167.1-159.300111.7S213 M214 K219S213-E217 WeakPolarHBondContact O-CG 3.3Å; S213-E217 PolarHBondContact O-N 2.93Å; M214-E217 PolarHBondContact O-N 2.85Å; E217-K219 PolarHBondContact O-N 3.14Å
218L87.2Confident88Confident2 Ų258.2 Ų58.21%0.0129%0.287CS..THydrogen-bonded Turntrans-68.2-6.3170.2-68.1173.1000113.2V25 R29 V79 P182 L185 M214 Q216 L220V25-L218 HydrophobicContact CB-CD2 4.26Å; V25-L218 HydrophobicContact CG1-CB 4.34Å; V25-L218 HydrophobicContact CG1-CD2 3.79Å; V25-L218 HydrophobicContact CG2-CD2 3.47Å; V25-L218 VanDerWaalsContact CG2-CD2 3.47Å; R29-L218 PolarHBondContact NE-O 3.17Å; R29-L218 PolarHBondContact NH2-O 3.48Å; V79-L218 HydrophobicContact CB-CD2 4.4Å; V79-L218 HydrophobicContact CG1-CD2 3.66Å; V79-L218 HydrophobicContact CG1-CG 4.46Å; V79-L218 HydrophobicContact CG2-CD2 4.08Å; P182-L218 HydrophobicContact CB-CD1 4.2Å; P182-L218 HydrophobicContact CB-CD2 4.3Å; L185-L218 HydrophobicContact CD2-CD1 3.59Å; M214-L218 HydrophobicContact CG-CD1 3.5Å; M214-L218 HydrophobicContact CG-CG 4.19Å; M214-L218 VanDerWaalsContact O-CB 3.22Å; M214-L218 WeakPolarHBondContact O-CB 3.23Å; M214-L218 WeakPolarHBondContact O-CD1 3.32Å; M214-L218 WeakPolarHBondContact O-CG 3.41Å; M214-L218 PolarHBondContact O-N 3.3Å; M214-L218 HydrophobicContact SD-CD1 4.18Å; Q216-L218 VanDerWaalsContact C-N 3.32Å; Q216-L218 PolarHBondContact O-N 2.77Å; L218-L220 HydrophobicContact CB-CD1 3.68Å; L218-L220 HydrophobicContact CB-CG 3.74Å; L218-L220 HydrophobicContact CD1-CD1 3.91Å; L218-L220 HydrophobicContact CG-CD1 4.46Å; L218-L220 PolarHBondContact O-N 2.84Å
219K86.1Confident87.9Confident150 Ų15057.2 Ų57.265%0.65228%0.282SS*.THydrogen-bonded Turntrans47.843.4177.4-59.2-178.9-175.4-175.50112W215 Q216 E217W215-K219 PolarHBondContact O-N 3.18Å; Q216-K219 WeakPolarHBondContact O-CA 3.24Å; Q216-K219 WeakPolarHBondContact O-CG 3.45Å; Q216-K219 PolarHBondContact O-N 2.69Å; E217-K219 PolarHBondContact O-N 3.14Å
220L85.5Confident88.1Confident16 Ų1650 Ų508%0.08425%0.249CC..  trans-86.5137.1-177.2-68.4167.8000110.6R29 L185 L189 W215 L218 F225R29-L220 HydrophobicContact CG-CD2 4.44Å; L185-L220 HydrophobicContact CD2-CD1 4.14Å; L189-L220 HydrophobicContact CD1-CD1 3.64Å; L189-L220 HydrophobicContact CD1-CD2 4.16Å; W215-L220 HydrophobicContact CD2-CB 3.84Å; W215-L220 HydrophobicContact CD2-CD1 4.02Å; W215-L220 VanDerWaalsContact CE2-CB 3.4Å; W215-L220 HydrophobicContact CE3-CB 4.32Å; W215-L220 HydrophobicContact CE3-CD1 3.77Å; W215-L220 HydrophobicContact CG-CB 4.33Å; W215-L220 HydrophobicContact CH2-CB 4.05Å; W215-L220 HydrophobicContact CH2-CD1 4.26Å; W215-L220 HydrophobicContact CZ2-CB 3.52Å; W215-L220 HydrophobicContact CZ2-CD1 4.48Å; W215-L220 HydrophobicContact CZ3-CB 4.42Å; W215-L220 HydrophobicContact CZ3-CD1 3.91Å; W215-L220 PolarHBondContact NE1-O 3.15Å; W215-L220 PolarHBondContact O-N 3.39Å; L218-L220 HydrophobicContact CB-CD1 3.68Å; L218-L220 HydrophobicContact CB-CG 3.74Å; L218-L220 HydrophobicContact CD1-CD1 3.91Å; L218-L220 HydrophobicContact CG-CD1 4.46Å; L218-L220 PolarHBondContact O-N 2.84Å; L220-F225 HydrophobicContact CD2-CE2 4.14Å; L220-F225 HydrophobicContact CD2-CZ 4.4Å
221I83.4Confident88.3Confident99 Ų9951 Ų5151%0.50824%0.244SC..  trans-103.8114-179.8-57.7176.1000108R223 N224I221-R223 HydrophobicContact CG2-CB 4.04Å; I221-R223 HydrophobicContact CG2-CG 4.42Å; I221-R223 PolarHBondContact O-N 3.43Å; I221-R223 VanDerWaalsContact O-N 3.08Å; I221-N224 WeakPolarHBondContact O-CB 3.17Å; I221-N224 PolarHBondContact O-N 2.89Å
222S82.2Confident88.3Confident21 Ų2151.3 Ų51.315%0.14725%0.246CC..G310 helixtrans-54.8-32-176.8-32.80000113.1N224 F225 G308S222-N224 PolarHBondContact O-N 2.79Å; S222-F225 CarbonylContact O-C 3.55Å; S222-F225 PolarHBondContact O-N 3.28Å; S222-G308 WeakPolarHBondContact CB-O 3.48Å; S222-G308 PolarHBondContact OG-O 3.33Å
223R81.4Confident88.4Confident207 Ų20749.6 Ų49.678%0.78124%0.236SC*.G310 helixtrans-61-22.8176-60.6-177.7179.2179.7-0.6113.9I221 F225I221-R223 HydrophobicContact CG2-CB 4.04Å; I221-R223 HydrophobicContact CG2-CG 4.42Å; I221-R223 PolarHBondContact O-N 3.43Å; I221-R223 VanDerWaalsContact O-N 3.08Å; R223-F225 PolarHBondContact O-N 3.19Å
224N83Confident88.5Confident47 Ų4748.9 Ų48.925%0.25123%0.23SC..G310 helixtrans-75.7-11.9176.7-63.812.7000112.4R29 I221 S222 P226R29-N224 PolarHBondContact O-ND2 2.86Å; I221-N224 WeakPolarHBondContact O-CB 3.17Å; I221-N224 PolarHBondContact O-N 2.89Å; S222-N224 PolarHBondContact O-N 2.79Å; N224-P226 VanDerWaalsContact C-CD 3.48Å
225F85.7Confident88.3Confident4 Ų448.6 Ų48.62%0.01823%0.231CC..  trans-130.660.2-172-54.5-73.4000111.6L28 L189 R193 W215 L220 S222 R223 K227 V228L28-F225 HydrophobicContact CB-CZ 4.27Å; L28-F225 HydrophobicContact CD2-CE1 4.36Å; L189-F225 HydrophobicContact CB-CD1 4.38Å; L189-F225 HydrophobicContact CB-CE1 3.94Å; L189-F225 HydrophobicContact CB-CZ 4.35Å; L189-F225 HydrophobicContact CD1-CE2 4.31Å; L189-F225 HydrophobicContact CD1-CZ 4.14Å; L189-F225 HydrophobicContact CD2-CB 4.42Å; L189-F225 HydrophobicContact CD2-CD1 3.81Å; L189-F225 HydrophobicContact CD2-CD2 4.1Å; L189-F225 HydrophobicContact CD2-CE1 4.05Å; L189-F225 HydrophobicContact CD2-CE2 4.32Å; L189-F225 HydrophobicContact CD2-CG 3.85Å; L189-F225 HydrophobicContact CD2-CZ 4.3Å; L189-F225 HydrophobicContact CG-CE1 4.38Å; L189-F225 HydrophobicContact CG-CZ 4.5Å; R193-F225 HydrophobicContact CB-CD1 4.32Å; R193-F225 HydrophobicContact CB-CE1 4.13Å; W215-F225 AromaticContact CH2-CD2 3.95Å; W215-F225 HydrophobicContact CH2-CD2 3.95Å; W215-F225 HydrophobicContact CH2-CE2 4.39Å; W215-F225 HydrophobicContact CZ2-CD2 4.34Å; L220-F225 HydrophobicContact CD2-CE2 4.14Å; L220-F225 HydrophobicContact CD2-CZ 4.4Å; S222-F225 CarbonylContact O-C 3.55Å; S222-F225 PolarHBondContact O-N 3.28Å; R223-F225 PolarHBondContact O-N 3.19Å; F225-K227 PolarHBondContact O-N 3.15Å; F225-V228 HydrophobicContact CB-CB 4.14Å; F225-V228 HydrophobicContact CB-CG2 3.8Å; F225-V228 PolarHBondContact O-N 3.3Å
226P83.1Confident88.3Confident59 Ų5956.2 Ų56.238%0.38327%0.267SS..THydrogen-bonded Turntrans-61.8-18.7-17727.6-36.7000113.8N224 F312N224-P226 VanDerWaalsContact C-CD 3.48Å; P226-F312 HydrophobicContact CB-CD2 3.7Å; P226-F312 HydrophobicContact CB-CE2 4.44Å; P226-F312 PolarHBondContact O-N 3.17Å
227K87.8Confident88.4Confident67 Ų6753.5 Ų53.529%0.29126%0.26SS..THydrogen-bonded Turntrans-96.220.5174.8-82.9-165.9168.7-175.20114.6S192 N196 V199 F225 I313S192-K227 VanDerWaalsContact OG-C 3.25Å; S192-K227 WeakPolarHBondContact OG-CB 3.44Å; S192-K227 PolarHBondContact OG-O 3.06Å; S192-K227 VanDerWaalsContact OG-O 3.08Å; N196-K227 VanDerWaalsContact CG-NZ 3.29Å; N196-K227 WeakPolarHBondContact O-CD 3.39Å; N196-K227 PolarHBondContact O-NZ 3.43Å; N196-K227 WeakPolarHBondContact OD1-CD 3.49Å; N196-K227 WeakPolarHBondContact OD1-CE 3.27Å; N196-K227 PolarHBondContact OD1-NZ 3.24Å; V199-K227 PolarHBondContact N-O 3.27Å; F225-K227 PolarHBondContact O-N 3.15Å; K227-I313 VanDerWaalsContact C-CD1 3.45Å; K227-I313 VanDerWaalsContact O-CD1 3.31Å; K227-I313 WeakPolarHBondContact O-CD1 3.4Å
228V90.8Very high88.6Confident9 Ų956.3 Ų56.36%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-115.5130.2166.1-178.20000108.7L189 V199 F225 V230L189-V228 HydrophobicContact CD2-CG2 3.95Å; V199-V228 HydrophobicContact CB-CG2 4.26Å; V199-V228 CarbonylContact O-C 3.42Å; V199-V228 WeakPolarHBondContact O-CA 3.23Å; F225-V228 HydrophobicContact CB-CB 4.14Å; F225-V228 HydrophobicContact CB-CG2 3.8Å; F225-V228 PolarHBondContact O-N 3.3Å; V228-V230 HydrophobicContact CG1-CG2 4.01Å
229S91.1Very high89Confident4 Ų459.5 Ų59.53%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-118.4122.1174.2-169.50000109.5V199 L201V199-S229 PolarHBondContact O-N 2.6Å; L201-S229 PolarHBondContact N-O 2.96Å
230V93.3Very high89.5Confident1 Ų153.8 Ų53.81%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-116.8123.9179.1-1660000109.4L201 L203 F211 V228 V306 F309L201-V230 HydrophobicContact CB-CG1 4.37Å; L201-V230 HydrophobicContact CD1-CG2 4.19Å; L203-V230 HydrophobicContact CD1-CG1 4.06Å; F211-V230 HydrophobicContact CD1-CG1 4.35Å; F211-V230 HydrophobicContact CE1-CG1 3.73Å; F211-V230 HydrophobicContact CE1-CG2 4.34Å; F211-V230 HydrophobicContact CZ-CG1 4.25Å; F211-V230 HydrophobicContact CZ-CG2 4.35Å; V228-V230 HydrophobicContact CG1-CG2 4.01Å; V230-V306 HydrophobicContact CB-CG2 4.44Å; V230-V306 HydrophobicContact CG1-CB 4.45Å; V230-V306 HydrophobicContact CG1-CG2 3.96Å; V230-V306 PolarHBondContact O-N 3.31Å; V230-V306 VanDerWaalsContact O-N 3.17Å; V230-F309 HydrophobicContact CB-CB 4.43Å; V230-F309 HydrophobicContact CB-CD1 3.99Å; V230-F309 HydrophobicContact CB-CD2 4.33Å; V230-F309 HydrophobicContact CB-CE1 4.37Å; V230-F309 HydrophobicContact CB-CG 3.97Å; V230-F309 HydrophobicContact CG2-CD1 3.49Å; V230-F309 VanDerWaalsContact CG2-CD1 3.49Å; V230-F309 HydrophobicContact CG2-CE1 3.73Å; V230-F309 HydrophobicContact CG2-CG 4.01Å; V230-F309 HydrophobicContact CG2-CZ 4.42Å
231R93.7Very high89.9Confident49 Ų4963.6 Ų63.619%0.18531%0.313CS..EExtended strand (participates in β ladder)trans-136.9145.3-175.9-51.6-177.663.7101.1-1.6110L201 L202 L203 H300 S303 K304L201-R231 PolarHBondContact O-N 2.67Å; L202-R231 WeakPolarHBondContact CA-O 3.44Å; L202-R231 HydrophobicContact CD2-CB 3.8Å; L202-R231 HydrophobicContact CD2-CG 4.41Å; L203-R231 PolarHBondContact N-O 3.28Å; R231-H300 WeakPolarHBondContact CD-NE2 3.25Å; R231-H300 PolarHBondContact NE-CE1 3.35Å; R231-S303 PolarHBondContact NE-OG 2.97Å; R231-S303 PolarHBondContact NH2-O 3Å; R231-K304 CarbonylContact C-O 3.49Å; R231-K304 VanDerWaalsContact CA-O 3.26Å; R231-K304 WeakPolarHBondContact CA-O 3.44Å; R231-K304 WeakPolarHBondContact CB-O 3.42Å
232S94.3Very high90.5Very high8 Ų864 Ų646%0.05632%0.32CS..EExtended strand (participates in β ladder)trans-102.1130179.5179.90000110.5L203 H205 S303 K304L203-S232 CarbonylContact O-C 3.58Å; L203-S232 VanDerWaalsContact O-CA 3.31Å; L203-S232 WeakPolarHBondContact O-CA 3.3Å; H205-S232 VanDerWaalsContact CA-OG 3.31Å; H205-S232 WeakPolarHBondContact CA-OG 3.47Å; S232-S303 CarbonylContact O-C 3.53Å; S232-S303 VanDerWaalsContact O-CA 3.29Å; S232-S303 WeakPolarHBondContact O-CA 3.26Å; S232-K304 PolarHBondContact N-O 3.02Å; S232-K304 PolarHBondContact O-N 3.05Å
233V94.3Very high91.1Very high2 Ų266 Ų661%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-107.7119.6179.4-168.30000109.1L202 L203 H205 I250 L299L202-V233 HydrophobicContact CB-CG2 3.78Å; L202-V233 HydrophobicContact CD1-CG2 4.38Å; L202-V233 HydrophobicContact CD2-CG2 4.4Å; L202-V233 HydrophobicContact CG-CG2 4.4Å; L203-V233 PolarHBondContact O-N 3.14Å; H205-V233 PolarHBondContact N-O 2.67Å; V233-I250 HydrophobicContact CB-CG1 3.95Å; V233-I250 HydrophobicContact CG1-CD1 3.93Å; V233-I250 HydrophobicContact CG1-CG1 3.74Å; V233-L299 HydrophobicContact CG1-CB 4.34Å; V233-L299 HydrophobicContact CG1-CD2 4.15Å; V233-L299 HydrophobicContact CG2-CB 4.44Å
234P92.1Very high91.7Very high32 Ų3265.5 Ų65.521%0.20834%0.342CS..  trans-81.5137.5167.232.6-31.1000110.3H205 T247H205-P234 HydrophobicContact CB-CB 4.47Å; P234-T247 HydrophobicContact CB-CG2 3.83Å
235G89.7Confident92.2Very high9 Ų970.8 Ų70.89%0.09336%0.362CS..  trans-70.3-178.8166.800000112.9T247 G248G235-T247 WeakPolarHBondContact O-CG2 3.48Å; G235-G248 WeakPolarHBondContact CA-O 3.36Å; G235-G248 PolarHBondContact N-O 2.92Å
236Q90.1Very high92.5Very high175 Ų17576.1 Ų76.182%0.81839%0.39SS*.  trans-62140.9-175.5-62.4-161.626.500112.2G248Q236-G248 PolarHBondContact O-N 2.88Å
237T92.1Very high92.9Very high74 Ų7476.1 Ų76.145%0.45439%0.39SS..EExtended strand (participates in β ladder)trans-95.898.8-179.1-52.80000111.5K245 L246T237-K245 HydrophobicContact CG2-CB 3.86Å; T237-K245 HydrophobicContact CG2-CD 4.1Å; T237-K245 HydrophobicContact CG2-CG 4.27Å; T237-L246 CarbonylContact C-O 3.58Å; T237-L246 WeakPolarHBondContact CA-O 3.45Å
238Y94Very high93Very high148 Ų14874.4 Ų74.458%0.5839%0.391SS*.EExtended strand (participates in β ladder)trans-66.8134.6168.1178.5-101000110.3A240 K245 L246Y238-A240 HydrophobicContact CE1-CB 3.86Å; Y238-K245 CarbonylContact O-C 3.53Å; Y238-K245 WeakPolarHBondContact O-CA 3.48Å; Y238-L246 PolarHBondContact N-O 2.88Å; Y238-L246 PolarHBondContact O-N 3.27Å
239S95Very high93Very high69 Ų6979.7 Ų79.748%0.48342%0.415SS..EExtended strand (participates in β ladder)trans-114.8112.1175.5-62.80000109.6
240A95.9Very high93.1Very high30 Ų3080.2 Ų80.225%0.24842%0.417CS..  trans-74.9157.4-178.900000111.8Y238 T242 G243 R244Y238-A240 HydrophobicContact CE1-CB 3.86Å; A240-T242 PolarHBondContact O-N 3Å; A240-G243 PolarHBondContact O-N 2.81Å; A240-R244 PolarHBondContact N-O 3.2Å
241K95.3Very high92.9Very high222 Ų22283.9 Ų83.997%0.96545%0.447SS*.THydrogen-bonded Turntrans-55.7-19.7174.8-66.5-176.7178.4179.60114.1G243K241-G243 VanDerWaalsContact C-N 3.28Å; K241-G243 PolarHBondContact O-N 2.76Å
242T95.5Very high92.8Very high108 Ų10884.9 Ų84.966%0.66345%0.454SS*.THydrogen-bonded Turntrans-83.35175.854.10000114A240 R244A240-T242 PolarHBondContact O-N 3Å; T242-R244 PolarHBondContact O-N 3.41Å
243G94.1Very high92.8Very high62 Ų6285 Ų8564%0.63946%0.455SS*.SBendtrans75.6-8.2-173.900000114.5A240 K241A240-G243 PolarHBondContact O-N 2.81Å; K241-G243 VanDerWaalsContact C-N 3.28Å; K241-G243 PolarHBondContact O-N 2.76Å
244R94.9Very high92.9Very high197 Ų19785.1 Ų85.174%0.74346%0.455SS*.  trans-67.7139.8174.5-64-176.1-178.1179.20.1110.4A240 T242A240-R244 PolarHBondContact N-O 3.2Å; T242-R244 PolarHBondContact O-N 3.41Å
245K94.4Very high93Very high157 Ų15783.8 Ų83.868%0.68345%0.447SS*.EExtended strand (participates in β ladder)trans-108.9139.3176.3-65.7-173.7176.7-176.90110.3T237 Y238T237-K245 HydrophobicContact CG2-CB 3.86Å; T237-K245 HydrophobicContact CG2-CD 4.1Å; T237-K245 HydrophobicContact CG2-CG 4.27Å; Y238-K245 CarbonylContact O-C 3.53Å; Y238-K245 WeakPolarHBondContact O-CA 3.48Å
246L91.4Very high93.3Very high116 Ų11683.4 Ų83.461%0.60744%0.442SS*.EExtended strand (participates in β ladder)trans-122.7114.8174.7172.563.5000107.5T237 Y238T237-L246 CarbonylContact C-O 3.58Å; T237-L246 WeakPolarHBondContact CA-O 3.45Å; Y238-L246 PolarHBondContact N-O 2.88Å; Y238-L246 PolarHBondContact O-N 3.27Å
247T90.8Very high93.5Very high60 Ų6075.3 Ų75.337%0.36841%0.405SS..EExtended strand (participates in β ladder)trans-84.2124.1171.6-47.40000108.1P234 G235P234-T247 HydrophobicContact CB-CG2 3.83Å; G235-T247 WeakPolarHBondContact O-CG2 3.48Å
248G90.1Very high93.5Very high30 Ų3073.8 Ų73.831%0.30940%0.395SS..PPolyproline II helixtrans-73.4165.4170.500000112.3G235 Q236G235-G248 WeakPolarHBondContact CA-O 3.36Å; G235-G248 PolarHBondContact N-O 2.92Å; Q236-G248 PolarHBondContact O-N 2.88Å
249Q91.4Very high93.3Very high121 Ų12169.7 Ų69.757%0.56538%0.378SS*.PPolyproline II helixtrans-86.1159.6170.270.5-16349.500111.5D204 V206D204-Q249 VanDerWaalsContact OD1-CA 3.23Å; D204-Q249 WeakPolarHBondContact OD1-CA 3.36Å; V206-Q249 HydrophobicContact CG2-CB 4.42Å
250I92Very high93.1Very high14 Ų1471.3 Ų71.37%0.07238%0.381CS..PPolyproline II helixtrans-83.8126.5160.5-58.1-58.9000108.5V175 D204 V233 E252 L299V175-I250 HydrophobicContact CG1-CG2 4.42Å; D204-I250 HydrophobicContact CB-CB 4.33Å; D204-I250 PolarHBondContact OD1-N 2.83Å; V233-I250 HydrophobicContact CB-CG1 3.95Å; V233-I250 HydrophobicContact CG1-CD1 3.93Å; V233-I250 HydrophobicContact CG1-CG1 3.74Å; I250-E252 HydrophobicContact CG2-CB 3.98Å; I250-E252 HydrophobicContact CG2-CG 4.47Å; I250-L299 HydrophobicContact CD1-CD2 4.36Å
251A89.8Confident92.9Very high78 Ų7870.8 Ų70.865%0.64537%0.374SS*.  trans-115.817.9175.300000111.9
252E92.1Very high92.9Very high70 Ų7060.2 Ų60.233%0.32733%0.328SS..  trans-93.3114.6177.3-62.5170.1-138.300108.6V175 I250 F254 R298V175-E252 WeakPolarHBondContact CG1-O 3.44Å; I250-E252 HydrophobicContact CG2-CB 3.98Å; I250-E252 HydrophobicContact CG2-CG 4.47Å; E252-F254 HydrophobicContact CB-CD1 4.44Å; E252-F254 HydrophobicContact CB-CE1 4.37Å; E252-R298 IonicContact OE1-NH2 3.41Å
253S93.8Very high92.8Very high10 Ų1055.4 Ų55.47%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-120.2106.2-179.4-680000110.8V175 D177 G265V175-S253 WeakPolarHBondContact O-CA 3.48Å; D177-S253 PolarHBondContact N-OG 3.49Å; D177-S253 PolarHBondContact OD1-OG 3.36Å; S253-G265 PolarHBondContact O-N 3.33Å; S253-G265 VanDerWaalsContact O-N 3.15Å
254F95.5Very high92.8Very high5 Ų554 Ų542%0.02228%0.277CS..EExtended strand (participates in β ladder)trans-150.2152.6-179.665.9-94.9000113.4V175 E252 I256 V262 L263 F292 E295 F296 L299V175-F254 HydrophobicContact CB-CD1 4.05Å; V175-F254 HydrophobicContact CB-CD2 4.45Å; V175-F254 HydrophobicContact CB-CE1 3.88Å; V175-F254 HydrophobicContact CB-CE2 4.29Å; V175-F254 HydrophobicContact CB-CG 4.35Å; V175-F254 HydrophobicContact CB-CZ 4.02Å; V175-F254 HydrophobicContact CG1-CE1 4.2Å; V175-F254 HydrophobicContact CG2-CD1 4.34Å; V175-F254 HydrophobicContact CG2-CD2 4.16Å; V175-F254 HydrophobicContact CG2-CE1 3.82Å; V175-F254 HydrophobicContact CG2-CE2 3.6Å; V175-F254 HydrophobicContact CG2-CZ 3.42Å; V175-F254 VanDerWaalsContact CG2-CZ 3.42Å; V175-F254 PolarHBondContact N-O 3.28Å; V175-F254 PolarHBondContact O-N 3Å; V175-F254 VanDerWaalsContact O-O 3.08Å; E252-F254 HydrophobicContact CB-CD1 4.44Å; E252-F254 HydrophobicContact CB-CE1 4.37Å; F254-I256 HydrophobicContact CD2-CD1 4.44Å; F254-I256 HydrophobicContact CD2-CG1 4.03Å; F254-I256 HydrophobicContact CE2-CD1 4.07Å; F254-I256 HydrophobicContact CE2-CG1 4.13Å; F254-V262 HydrophobicContact CB-CG1 4.39Å; F254-L263 CarbonylContact C-O 3.49Å; F254-L263 WeakPolarHBondContact CA-O 3.48Å; F254-F292 HydrophobicContact CB-CD1 4.44Å; F254-F292 HydrophobicContact CD1-CD1 4.32Å; F254-F292 HydrophobicContact CD2-CD1 4Å; F254-F292 HydrophobicContact CE2-CB 4.38Å; F254-F292 HydrophobicContact CE2-CD1 4.26Å; F254-F292 HydrophobicContact CG-CD1 4.03Å; F254-F292 HydrophobicContact CG-CE1 4.48Å; F254-E295 HydrophobicContact CE1-CG 4.25Å; F254-E295 HydrophobicContact CZ-CB 4.4Å; F254-E295 HydrophobicContact CZ-CG 4.12Å; F254-F296 HydrophobicContact CE2-CB 4.31Å; F254-L299 HydrophobicContact CE1-CD1 4.45Å; F254-L299 HydrophobicContact CZ-CD1 4.48Å
255I95.9Very high92.6Very high5 Ų545.7 Ų45.73%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-126.9122.8-177.6-49.8163.7000108V161 F164 L165 L172 A173 V174 M176 V262 L263 F269V161-I255 HydrophobicContact CG1-CD1 4.1Å; F164-I255 HydrophobicContact CD1-CB 4.25Å; F164-I255 HydrophobicContact CD1-CG2 3.96Å; F164-I255 HydrophobicContact CE1-CB 3.92Å; F164-I255 HydrophobicContact CE1-CG2 3.72Å; F164-I255 WeakPolarHBondContact CE1-O 2.99Å; L165-I255 HydrophobicContact CD2-CD1 4.46Å; L165-I255 HydrophobicContact CD2-CG2 3.98Å; L172-I255 HydrophobicContact CD2-CG2 4.29Å; A173-I255 CarbonylContact O-C 3.59Å; A173-I255 WeakPolarHBondContact O-CA 3.45Å; V174-I255 HydrophobicContact CG1-CG1 4.42Å; V174-I255 HydrophobicContact CG2-CG2 4.19Å; M176-I255 HydrophobicContact CE-CG1 4.47Å; I255-V262 CarbonylContact O-C 3.57Å; I255-V262 VanDerWaalsContact O-CA 3.3Å; I255-V262 WeakPolarHBondContact O-CA 3.19Å; I255-L263 HydrophobicContact CB-CB 4.5Å; I255-L263 HydrophobicContact CD1-CD2 4.38Å; I255-L263 PolarHBondContact N-O 3.15Å; I255-L263 PolarHBondContact O-N 2.7Å; I255-F269 HydrophobicContact CD1-CE1 3.89Å; I255-F269 HydrophobicContact CD1-CZ 3.6Å; I255-F269 HydrophobicContact CG1-CZ 4.16Å
256I95.4Very high92.5Very high1 Ų142.3 Ų42.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-100.7126.6171-38.7-171.1000109L172 A173 F254 W259 E261 V262 V289 F292 F296L172-I256 WeakPolarHBondContact CA-O 3.3Å; A173-I256 HydrophobicContact CB-CB 4.21Å; A173-I256 HydrophobicContact CB-CG1 4.46Å; A173-I256 PolarHBondContact N-O 3.06Å; A173-I256 PolarHBondContact O-N 2.9Å; F254-I256 HydrophobicContact CD2-CD1 4.44Å; F254-I256 HydrophobicContact CD2-CG1 4.03Å; F254-I256 HydrophobicContact CE2-CD1 4.07Å; F254-I256 HydrophobicContact CE2-CG1 4.13Å; I256-W259 HydrophobicContact CD1-CE3 4.26Å; I256-W259 HydrophobicContact CD1-CZ3 3.99Å; I256-W259 HydrophobicContact CG2-CE3 3.99Å; I256-E261 WeakPolarHBondContact CA-O 3.21Å; I256-V262 HydrophobicContact CB-CG2 4.38Å; I256-V262 HydrophobicContact CD1-CG2 4.49Å; I256-V262 HydrophobicContact CG1-CG2 4.08Å; I256-V262 HydrophobicContact CG2-CG2 3.98Å; I256-V289 HydrophobicContact CG2-CG1 4.23Å; I256-F292 HydrophobicContact CD1-CB 3.97Å; I256-F296 HydrophobicContact CD1-CB 4.21Å
257A94.1Very high92.5Very high5 Ų537 Ų374%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-106.6125.3173.400000110.1F164 A168 L172 W259 D260 E261F164-A257 HydrophobicContact CE1-CB 3.78Å; F164-A257 HydrophobicContact CE2-CB 4.04Å; F164-A257 HydrophobicContact CZ-CB 3.5Å; F164-A257 VanDerWaalsContact CZ-CB 3.5Å; A168-A257 HydrophobicContact CB-CB 4.02Å; L172-A257 HydrophobicContact CD2-CB 4.27Å; A257-W259 PolarHBondContact O-N 2.55Å; A257-D260 PolarHBondContact O-N 3.32Å; A257-D260 VanDerWaalsContact O-N 3.09Å; A257-E261 PolarHBondContact N-O 3.42Å; A257-E261 PolarHBondContact O-N 2.79Å
258D92.3Very high92.6Very high42 Ų4235 Ų3523%0.22521%0.206CC..THydrogen-bonded Turntrans5213.9175.6-62.6-22000116.4A168 K169 L170 V171 D260A168-D258 WeakPolarHBondContact CA-OD2 3.43Å; K169-D258 VanDerWaalsContact N-CG 3.35Å; K169-D258 PolarHBondContact N-OD1 2.91Å; K169-D258 VanDerWaalsContact N-OD1 3.08Å; K169-D258 PolarHBondContact N-OD2 3.19Å; L170-D258 WeakPolarHBondContact CA-OD1 3.43Å; L170-D258 WeakPolarHBondContact CB-OD1 3.22Å; L170-D258 PolarHBondContact N-OD1 2.96Å; V171-D258 PolarHBondContact N-OD1 3.03Å; V171-D258 PolarHBondContact O-N 2.82Å; D258-D260 VanDerWaalsContact C-N 3.28Å
259W90.2Very high92.8Very high61 Ų6133.7 Ų33.723%0.23119%0.192CC..THydrogen-bonded Turntrans65.516.9-172.3-47.7105.8000115.9V171 A173 I256 A257 V289 H293 F296 P316V171-W259 HydrophobicContact CG1-CZ2 3.77Å; A173-W259 HydrophobicContact CB-CH2 3.86Å; A173-W259 HydrophobicContact CB-CZ3 4.15Å; I256-W259 HydrophobicContact CD1-CE3 4.26Å; I256-W259 HydrophobicContact CD1-CZ3 3.99Å; I256-W259 HydrophobicContact CG2-CE3 3.99Å; A257-W259 PolarHBondContact O-N 2.55Å; W259-V289 WeakPolarHBondContact O-CG1 3.33Å; W259-H293 HydrophobicContact CE3-CB 4.2Å; W259-H293 AromaticContact CE3-CD2 3.54Å; W259-H293 AromaticContact CE3-CG 3.69Å; W259-H293 AromaticContact CE3-NE2 3.85Å; W259-H293 AromaticContact CH2-CD2 3.94Å; W259-H293 HydrophobicContact CZ3-CB 4.39Å; W259-H293 AromaticContact CZ3-CD2 3.26Å; W259-H293 WeakPolarHBondContact CZ3-CD2 3.4Å; W259-H293 AromaticContact CZ3-CG 3.85Å; W259-H293 AromaticContact CZ3-NE2 3.72Å; W259-F296 AromaticContact CH2-CD1 3.75Å; W259-F296 HydrophobicContact CH2-CD1 3.75Å; W259-F296 AromaticContact CH2-CE1 3.84Å; W259-F296 HydrophobicContact CH2-CE1 3.84Å; W259-F296 HydrophobicContact CH2-CG 4.5Å; W259-F296 HydrophobicContact CZ3-CD1 4.08Å; W259-P316 HydrophobicContact CZ2-CG 4.1Å
260D90.1Very high92.9Very high103 Ų10328.7 Ų28.755%0.55117%0.17SC*.THydrogen-bonded Turntrans-120.5-24.1-176.9-173.644.5000113.3A257 D258A257-D260 PolarHBondContact O-N 3.32Å; A257-D260 VanDerWaalsContact O-N 3.09Å; D258-D260 VanDerWaalsContact C-N 3.28Å
261E92.3Very high92.9Very high19 Ų1929.8 Ų29.89%0.08917%0.173CC..EExtended strand (participates in β ladder)trans-130.5143.6177.2-53.9-167.2138.300111.4F164 K167 I256 A257 L283 K285F164-E261 HydrophobicContact CE2-CB 3.72Å; F164-E261 HydrophobicContact CZ-CB 3.92Å; K167-E261 WeakPolarHBondContact CD-OE2 3.24Å; K167-E261 VanDerWaalsContact CE-OE2 3.25Å; K167-E261 WeakPolarHBondContact CE-OE2 3.38Å; K167-E261 IonicContact NZ-OE1 3.14Å; K167-E261 PolarHBondContact NZ-OE1 3.26Å; K167-E261 IonicContact NZ-OE2 3.5Å; K167-E261 PolarHBondContact NZ-OE2 3.32Å; I256-E261 WeakPolarHBondContact CA-O 3.21Å; A257-E261 PolarHBondContact N-O 3.42Å; A257-E261 PolarHBondContact O-N 2.79Å; E261-L283 HydrophobicContact CB-CD1 4.2Å; E261-K285 HydrophobicContact CG-CG 4.12Å; E261-K285 VanDerWaalsContact OE1-CE 3.26Å; E261-K285 WeakPolarHBondContact OE1-CE 3.47Å
262V94.6Very high92.9Very high0 Ų026.5 Ų26.50%014%0.144CC..EExtended strand (participates in β ladder)trans-127.8125.6176.9177.70000110F254 I255 I256 L283 I284 V289 F292F254-V262 HydrophobicContact CB-CG1 4.39Å; I255-V262 CarbonylContact O-C 3.57Å; I255-V262 VanDerWaalsContact O-CA 3.3Å; I255-V262 WeakPolarHBondContact O-CA 3.19Å; I256-V262 HydrophobicContact CB-CG2 4.38Å; I256-V262 HydrophobicContact CD1-CG2 4.49Å; I256-V262 HydrophobicContact CG1-CG2 4.08Å; I256-V262 HydrophobicContact CG2-CG2 3.98Å; V262-L283 CarbonylContact O-C 3.56Å; V262-L283 WeakPolarHBondContact O-CA 3.24Å; V262-I284 HydrophobicContact CB-CB 4.43Å; V262-I284 PolarHBondContact N-O 2.91Å; V262-I284 PolarHBondContact O-N 3.07Å; V262-V289 HydrophobicContact CB-CG2 4.42Å; V262-V289 HydrophobicContact CG2-CB 4.03Å; V262-V289 HydrophobicContact CG2-CG1 3.63Å; V262-V289 HydrophobicContact CG2-CG2 3.73Å; V262-F292 HydrophobicContact CB-CD2 4.37Å; V262-F292 HydrophobicContact CB-CG 4.43Å; V262-F292 HydrophobicContact CG1-CB 4.25Å; V262-F292 HydrophobicContact CG1-CD1 3.85Å; V262-F292 HydrophobicContact CG1-CD2 4.04Å; V262-F292 HydrophobicContact CG1-CE1 4.17Å; V262-F292 HydrophobicContact CG1-CE2 4.35Å; V262-F292 HydrophobicContact CG1-CG 3.78Å; V262-F292 HydrophobicContact CG1-CZ 4.41Å; V262-F292 HydrophobicContact CG2-CB 3.84Å; V262-F292 HydrophobicContact CG2-CD2 4.13Å; V262-F292 HydrophobicContact CG2-CG 4.06Å
263L94.3Very high92.8Very high7 Ų723.4 Ų23.44%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-105.1111.7168.5-173.964.2000108.5V161 F164 F254 I255 L281 V282 L283V161-L263 HydrophobicContact CG2-CD2 3.99Å; F164-L263 HydrophobicContact CB-CD2 3.95Å; F164-L263 HydrophobicContact CD1-CB 3.7Å; F164-L263 HydrophobicContact CD1-CD2 3.92Å; F164-L263 HydrophobicContact CD1-CG 4.48Å; F164-L263 HydrophobicContact CD2-CB 4.43Å; F164-L263 HydrophobicContact CE1-CB 3.56Å; F164-L263 HydrophobicContact CE2-CB 4.32Å; F164-L263 HydrophobicContact CG-CB 4.14Å; F164-L263 HydrophobicContact CG-CD2 3.94Å; F164-L263 HydrophobicContact CZ-CB 3.89Å; F254-L263 CarbonylContact C-O 3.49Å; F254-L263 WeakPolarHBondContact CA-O 3.48Å; I255-L263 HydrophobicContact CB-CB 4.5Å; I255-L263 HydrophobicContact CD1-CD2 4.38Å; I255-L263 PolarHBondContact N-O 3.15Å; I255-L263 PolarHBondContact O-N 2.7Å; L263-L281 HydrophobicContact CD1-CB 4.19Å; L263-L281 HydrophobicContact CD1-CD2 4.29Å; L263-L281 HydrophobicContact CD2-CD2 4.45Å; L263-L281 HydrophobicContact CG-CD2 4.13Å; L263-V282 WeakPolarHBondContact CA-O 3.24Å; L263-L283 HydrophobicContact CD1-CB 4.1Å
264T93.7Very high92.3Very high32 Ų3223 Ų2320%0.19613%0.128CC..EExtended strand (participates in β ladder)trans-120.9153.5-177.4-174.70000110.7L281 V282 I284 F292T264-L281 CarbonylContact O-C 3.57Å; T264-V282 HydrophobicContact CG2-CB 4.09Å; T264-V282 PolarHBondContact N-O 3.04Å; T264-V282 PolarHBondContact O-N 3.1Å; T264-I284 HydrophobicContact CG2-CD1 3.81Å; T264-I284 HydrophobicContact CG2-CG1 4.5Å; T264-F292 HydrophobicContact CG2-CE1 4.35Å; T264-F292 HydrophobicContact CG2-CZ 4.11Å
265G91.4Very high91.7Very high24 Ų2426.4 Ų26.425%0.24715%0.145CC..EExtended strand (participates in β ladder)trans168.9-159.8179.100000115.7S253 L280S253-G265 PolarHBondContact O-N 3.33Å; S253-G265 VanDerWaalsContact O-N 3.15Å; G265-L280 CarbonylContact C-O 3.58Å; G265-L280 VanDerWaalsContact CA-O 3.25Å; G265-L280 WeakPolarHBondContact CA-O 3.28Å
266T91.6Very high91.3Very high85 Ų8529.7 Ų29.752%0.52117%0.165SC..SBendtrans-100.97.9176.268.10000112.9S268 L280T266-S268 PolarHBondContact O-N 3.35Å; T266-L280 HydrophobicContact CG2-CB 4.37Å; T266-L280 PolarHBondContact N-O 3.37Å; T266-L280 PolarHBondContact OG1-N 2.9Å
267Y91.9Very high90.9Very high5 Ų532.8 Ų32.82%0.0218%0.179CC..  trans-82.397.5-179.6-174-85.7000110.8M157 V161 L184 F269 S273 S274 L281M157-Y267 HydrophobicContact CB-CD2 4.31Å; M157-Y267 HydrophobicContact CB-CE2 4.25Å; V161-Y267 HydrophobicContact CG1-CE1 4.49Å; V161-Y267 HydrophobicContact CG2-CD1 3.94Å; V161-Y267 HydrophobicContact CG2-CE1 4.03Å; V161-Y267 HydrophobicContact CG2-CG 4.46Å; L184-Y267 HydrophobicContact CD1-CE1 4.08Å; Y267-F269 HydrophobicContact CD1-CD1 4.05Å; Y267-F269 HydrophobicContact CD1-CE1 4.28Å; Y267-F269 AromaticContact CE1-CD1 3.93Å; Y267-F269 HydrophobicContact CE1-CD1 3.93Å; Y267-F269 HydrophobicContact CE1-CE1 4.27Å; Y267-S273 VanDerWaalsContact CE2-O 3.23Å; Y267-S273 WeakPolarHBondContact CE2-O 3.33Å; Y267-S274 VanDerWaalsContact OH-CB 3.29Å; Y267-S274 WeakPolarHBondContact OH-CB 3.19Å; Y267-L281 HydrophobicContact CG-CD2 4.43Å
268S93.1Very high90.5Very high19 Ų1938.1 Ų38.113%0.13320%0.203CC..  trans-69.5154.8167-38.30000110.9D177 T266 T270 S273D177-S268 VanDerWaalsContact CG-OG 3.3Å; D177-S268 WeakPolarHBondContact OD1-CA 3.05Å; D177-S268 WeakPolarHBondContact OD1-CB 3.44Å; D177-S268 PolarHBondContact OD1-OG 3.45Å; D177-S268 WeakPolarHBondContact OD2-CB 3.34Å; D177-S268 PolarHBondContact OD2-OG 2.85Å; T266-S268 PolarHBondContact O-N 3.35Å; S268-T270 PolarHBondContact O-N 3.13Å; S268-S273 WeakPolarHBondContact O-CB 3.37Å; S268-S273 PolarHBondContact O-OG 2.86Å
269F93.8Very high90.2Very high1 Ų136.5 Ų36.50%0.00420%0.195CC..BIsolated β-bridgetrans-82.959.5177.7-76.64.3000112.1V161 L165 V174 M176 A178 F179 S180 D181 L184 L188 I255 Y267V161-F269 HydrophobicContact CG1-CE1 3.77Å; V161-F269 HydrophobicContact CG1-CZ 4.07Å; L165-F269 HydrophobicContact CD1-CZ 4.4Å; V174-F269 HydrophobicContact CG1-CE2 3.96Å; V174-F269 HydrophobicContact CG1-CZ 4.33Å; M176-F269 HydrophobicContact CE-CD1 3.47Å; M176-F269 VanDerWaalsContact CE-CD1 3.47Å; M176-F269 HydrophobicContact CE-CD2 4.15Å; M176-F269 HydrophobicContact CE-CE1 3.4Å; M176-F269 HydrophobicContact CE-CE2 4.07Å; M176-F269 HydrophobicContact CE-CG 3.88Å; M176-F269 HydrophobicContact CE-CZ 3.72Å; M176-F269 HydrophobicContact CG-CB 4.14Å; M176-F269 HydrophobicContact CG-CD1 4.49Å; M176-F269 HydrophobicContact CG-CD2 4.46Å; M176-F269 HydrophobicContact CG-CG 4.11Å; M176-F269 HydrophobicContact SD-CB 4.42Å; M176-F269 HydrophobicContact SD-CD1 3.85Å; M176-F269 HydrophobicContact SD-CE1 4.37Å; M176-F269 HydrophobicContact SD-CG 4.07Å; A178-F269 PolarHBondContact O-N 3.18Å; F179-F269 CarbonylContact C-O 3.57Å; F179-F269 WeakPolarHBondContact CA-O 3.25Å; F179-F269 HydrophobicContact CB-CB 4.15Å; F179-F269 HydrophobicContact CD1-CD2 4.2Å; F179-F269 HydrophobicContact CD2-CB 3.45Å; F179-F269 VanDerWaalsContact CD2-CB 3.45Å; F179-F269 AromaticContact CD2-CD2 3.91Å; F179-F269 HydrophobicContact CD2-CD2 3.91Å; F179-F269 HydrophobicContact CD2-CG 4.21Å; F179-F269 HydrophobicContact CE1-CD2 4.13Å; F179-F269 HydrophobicContact CE2-CB 4.02Å; F179-F269 AromaticContact CE2-CD2 3.83Å; F179-F269 HydrophobicContact CE2-CD2 3.83Å; F179-F269 HydrophobicContact CE2-CG 4.41Å; F179-F269 HydrophobicContact CG-CB 3.9Å; F179-F269 HydrophobicContact CG-CD2 4.1Å; F179-F269 AromaticContact CZ-CD2 3.95Å; F179-F269 HydrophobicContact CZ-CD2 3.95Å; S180-F269 PolarHBondContact N-O 3.41Å; D181-F269 WeakPolarHBondContact CB-O 3.33Å; D181-F269 PolarHBondContact N-O 3.5Å; L184-F269 HydrophobicContact CD1-CB 4.07Å; L184-F269 HydrophobicContact CD1-CD1 3.7Å; L184-F269 HydrophobicContact CD1-CD2 4.28Å; L184-F269 HydrophobicContact CD1-CE1 4.13Å; L184-F269 HydrophobicContact CD1-CG 3.77Å; L188-F269 HydrophobicContact CD1-CE2 4.22Å; I255-F269 HydrophobicContact CD1-CE1 3.89Å; I255-F269 HydrophobicContact CD1-CZ 3.6Å; I255-F269 HydrophobicContact CG1-CZ 4.16Å; Y267-F269 HydrophobicContact CD1-CD1 4.05Å; Y267-F269 HydrophobicContact CD1-CE1 4.28Å; Y267-F269 AromaticContact CE1-CD1 3.93Å; Y267-F269 HydrophobicContact CE1-CD1 3.93Å; Y267-F269 HydrophobicContact CE1-CE1 4.27Å
270T93.1Very high90.1Very high17 Ų1736.6 Ų36.610%0.10420%0.2CC..SBendtrans-119.3160.6179.478.30000111.4E86 A178 S180 S268 S273 S274E86-T270 WeakPolarHBondContact OE1-CB 3.32Å; A178-T270 HydrophobicContact CB-CG2 3.97Å; S180-T270 WeakPolarHBondContact OG-CA 3.38Å; S268-T270 PolarHBondContact O-N 3.13Å; T270-S273 WeakPolarHBondContact OG1-CB 3.35Å; T270-S273 PolarHBondContact OG1-N 2.87Å; T270-S273 PolarHBondContact OG1-OG 3.05Å; T270-S274 PolarHBondContact O-N 2.92Å
271W91.4Very high90.1Very high36 Ų3632 Ų3214%0.13618%0.176CC..Hα-helixtrans-67.2-40.2174-179.989.7000110.9A58 F81 L82 E86 V90 S273 S274 M275 V276A58-W271 HydrophobicContact CB-CH2 4.04Å; A58-W271 HydrophobicContact CB-CZ2 4.09Å; F81-W271 HydrophobicContact CD2-CB 4.42Å; F81-W271 AromaticContact CD2-CD1 3.46Å; F81-W271 VanDerWaalsContact CD2-CD1 3.46Å; F81-W271 HydrophobicContact CD2-CD2 4.37Å; F81-W271 AromaticContact CD2-CG 3.86Å; F81-W271 HydrophobicContact CD2-CG 3.86Å; F81-W271 AromaticContact CD2-NE1 3.73Å; F81-W271 AromaticContact CE2-CD1 3.69Å; F81-W271 HydrophobicContact CE2-CD2 4.08Å; F81-W271 AromaticContact CE2-CE2 3.72Å; F81-W271 HydrophobicContact CE2-CG 4.05Å; F81-W271 HydrophobicContact CE2-CZ2 4.31Å; F81-W271 AromaticContact CE2-NE1 3.46Å; L82-W271 HydrophobicContact CD2-CB 3.72Å; L82-W271 HydrophobicContact CD2-CD2 3.51Å; L82-W271 HydrophobicContact CD2-CE3 3.43Å; L82-W271 VanDerWaalsContact CD2-CE3 3.43Å; L82-W271 HydrophobicContact CD2-CG 3.65Å; L82-W271 HydrophobicContact CD2-CZ3 4.2Å; E86-W271 WeakPolarHBondContact OE1-CA 3.37Å; E86-W271 WeakPolarHBondContact OE1-CB 3.49Å; E86-W271 PolarHBondContact OE1-N 3.48Å; V90-W271 HydrophobicContact CG2-CZ3 4.38Å; W271-S273 PolarHBondContact O-N 3.1Å; W271-S274 WeakPolarHBondContact O-CA 3.36Å; W271-S274 WeakPolarHBondContact O-CB 3.48Å; W271-S274 PolarHBondContact O-N 2.92Å; W271-S274 PolarHBondContact O-OG 3.39Å; W271-M275 HydrophobicContact CD2-CB 4.43Å; W271-M275 HydrophobicContact CD2-CG 4.17Å; W271-M275 HydrophobicContact CH2-CB 4.3Å; W271-M275 HydrophobicContact CZ2-CB 4.16Å; W271-M275 HydrophobicContact CZ2-CG 3.91Å; W271-M275 HydrophobicContact CZ3-CB 4.49Å; W271-M275 PolarHBondContact O-N 3.12Å; W271-M275 VanDerWaalsContact O-N 3.15Å; W271-V276 HydrophobicContact CH2-CG2 4.47Å; W271-V276 HydrophobicContact CZ3-CG2 4.01Å
272L90.5Very high90Very high9 Ų932.3 Ų32.35%0.04718%0.179CC..Hα-helixtrans-60.4-42.5176.8-70.5178000112.5E86 Y89 V90 S274 M275 V276 H277E86-L272 HydrophobicContact CB-CD1 4.04Å; E86-L272 HydrophobicContact CB-CG 4.17Å; E86-L272 HydrophobicContact CG-CD1 3.78Å; E86-L272 HydrophobicContact CG-CG 3.92Å; E86-L272 PolarHBondContact OE1-N 3.25Å; Y89-L272 HydrophobicContact CD1-CD1 3.45Å; Y89-L272 VanDerWaalsContact CD1-CD1 3.45Å; Y89-L272 HydrophobicContact CD1-CD2 3.87Å; Y89-L272 HydrophobicContact CD1-CG 4.35Å; Y89-L272 HydrophobicContact CE1-CD1 4.12Å; Y89-L272 HydrophobicContact CE1-CD2 4.21Å; Y89-L272 HydrophobicContact CG-CD1 3.76Å; V90-L272 HydrophobicContact CG2-CD2 4.05Å; L272-S274 PolarHBondContact O-N 3.39Å; L272-M275 PolarHBondContact O-N 3.23Å; L272-V276 HydrophobicContact CD2-CB 4.02Å; L272-V276 HydrophobicContact CD2-CG1 4.45Å; L272-V276 HydrophobicContact CD2-CG2 3.8Å; L272-V276 PolarHBondContact O-N 3.07Å; L272-H277 WeakPolarHBondContact CB-NE2 3.25Å; L272-H277 PolarHBondContact O-N 3.16Å
273S89.3Confident89.9Confident5 Ų533.1 Ų33.14%0.03518%0.183CC..Hα-helixtrans-60-22.8173.1-59.10000113.2Y267 S268 T270 W271 S279Y267-S273 VanDerWaalsContact CE2-O 3.23Å; Y267-S273 WeakPolarHBondContact CE2-O 3.33Å; S268-S273 WeakPolarHBondContact O-CB 3.37Å; S268-S273 PolarHBondContact O-OG 2.86Å; T270-S273 WeakPolarHBondContact OG1-CB 3.35Å; T270-S273 PolarHBondContact OG1-N 2.87Å; T270-S273 PolarHBondContact OG1-OG 3.05Å; W271-S273 PolarHBondContact O-N 3.1Å; S273-S279 PolarHBondContact O-OG 3.16Å
274S84.3Confident89.7Confident1 Ų133.9 Ų33.91%0.00719%0.187CC..Hα-helixtrans-95.8-13.8-178.481.60000115.4Y267 T270 W271 L272Y267-S274 VanDerWaalsContact OH-CB 3.29Å; Y267-S274 WeakPolarHBondContact OH-CB 3.19Å; T270-S274 PolarHBondContact O-N 2.92Å; W271-S274 WeakPolarHBondContact O-CA 3.36Å; W271-S274 WeakPolarHBondContact O-CB 3.48Å; W271-S274 PolarHBondContact O-N 2.92Å; W271-S274 PolarHBondContact O-OG 3.39Å; L272-S274 PolarHBondContact O-N 3.39Å
275M83.2Confident89.5Confident77 Ų7735.3 Ų35.338%0.37919%0.19SC..Hα-helixtrans-134-27.2-171.6-66.2-66.5173.900114.9W271 L272W271-M275 HydrophobicContact CD2-CB 4.43Å; W271-M275 HydrophobicContact CD2-CG 4.17Å; W271-M275 HydrophobicContact CH2-CB 4.3Å; W271-M275 HydrophobicContact CZ2-CB 4.16Å; W271-M275 HydrophobicContact CZ2-CG 3.91Å; W271-M275 HydrophobicContact CZ3-CB 4.49Å; W271-M275 PolarHBondContact O-N 3.12Å; W271-M275 VanDerWaalsContact O-N 3.15Å; L272-M275 PolarHBondContact O-N 3.23Å
276V86.1Confident89.1Confident75 Ų7535.6 Ų35.646%0.45519%0.193SC..THydrogen-bonded Turntrans-128.2-41.6-164.9-176.40000113Y89 W271 L272Y89-V276 HydrophobicContact CE1-CG1 4.45Å; W271-V276 HydrophobicContact CH2-CG2 4.47Å; W271-V276 HydrophobicContact CZ3-CG2 4.01Å; L272-V276 HydrophobicContact CD2-CB 4.02Å; L272-V276 HydrophobicContact CD2-CG1 4.45Å; L272-V276 HydrophobicContact CD2-CG2 3.8Å; L272-V276 PolarHBondContact O-N 3.07Å
277H87.2Confident88.6Confident65 Ų6534 Ų3430%0.30119%0.186SC..SBendtrans-84.6141.7-179.1-58.4-27.1000111.6Y89 Q149 L272 S279Y89-H277 AromaticContact CE1-CE1 3.9Å; Y89-H277 AromaticContact CZ-CE1 3.74Å; Q149-H277 PolarHBondContact NE2-O 3.48Å; Q149-H277 PolarHBondContact OE1-O 2.9Å; L272-H277 WeakPolarHBondContact CB-NE2 3.25Å; L272-H277 PolarHBondContact O-N 3.16Å; H277-S279 PolarHBondContact O-N 2.78Å
278Q85.5Confident88.3Confident118 Ų11836 Ų3655%0.55120%0.2SC*.  trans-79.1113.6171.9-165.571.7-10.600109.6Q149 S150Q149-Q278 HydrophobicContact CB-CG 4.45Å; Q149-Q278 VanDerWaalsContact CG-OE1 3.31Å; Q149-Q278 VanDerWaalsContact NE2-OE1 3.08Å; S150-Q278 PolarHBondContact OG-NE2 3.36Å; S150-Q278 VanDerWaalsContact OG-NE2 3.15Å
279S86.1Confident88.1Confident8 Ų835.3 Ų35.36%0.05620%0.195CC..  trans-108.9152.3-176.2-57.60000112.7Q149 S273 H277Q149-S279 WeakPolarHBondContact CB-O 3.49Å; S273-S279 PolarHBondContact O-OG 3.16Å; H277-S279 PolarHBondContact O-N 2.78Å
280L88.1Confident87.8Confident63 Ų6336.8 Ų36.833%0.3321%0.205SC..EExtended strand (participates in β ladder)trans-108.1138.2169169.165.8000109.3V146 L148 G265 T266 V282V146-L280 HydrophobicContact CG1-CD1 3.9Å; L148-L280 HydrophobicContact CD2-CD1 3.73Å; G265-L280 CarbonylContact C-O 3.58Å; G265-L280 VanDerWaalsContact CA-O 3.25Å; G265-L280 WeakPolarHBondContact CA-O 3.28Å; T266-L280 HydrophobicContact CG2-CB 4.37Å; T266-L280 PolarHBondContact N-O 3.37Å; T266-L280 PolarHBondContact OG1-N 2.9Å; L280-V282 HydrophobicContact CD1-CG2 4.13Å; L280-V282 HydrophobicContact CG-CG2 4.28Å
281L90.3Very high87.7Confident7 Ų742 Ų424%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-129.9143.7169.3-75.2174.1000110.2F147 M157 V161 L263 T264 Y267F147-L281 HydrophobicContact CB-CB 4.14Å; F147-L281 PolarHBondContact N-O 3.21Å; F147-L281 PolarHBondContact O-N 3.33Å; F147-L281 VanDerWaalsContact O-N 3.11Å; F147-L281 VanDerWaalsContact O-O 3.12Å; M157-L281 HydrophobicContact CB-CD1 4.37Å; M157-L281 HydrophobicContact SD-CD1 4.04Å; V161-L281 HydrophobicContact CG2-CD1 3.73Å; V161-L281 HydrophobicContact CG2-CD2 4.37Å; L263-L281 HydrophobicContact CD1-CB 4.19Å; L263-L281 HydrophobicContact CD1-CD2 4.29Å; L263-L281 HydrophobicContact CD2-CD2 4.45Å; L263-L281 HydrophobicContact CG-CD2 4.13Å; T264-L281 CarbonylContact O-C 3.57Å; Y267-L281 HydrophobicContact CG-CD2 4.43Å
282V90.8Very high87.8Confident25 Ų2542.4 Ų42.415%0.15223%0.231CC..EExtended strand (participates in β ladder)trans-136.8122.8177.7-173.70000108.9P144 E145 V146 L263 T264 L280 I284P144-V282 HydrophobicContact CB-CG1 3.95Å; E145-V282 CarbonylContact O-C 3.57Å; E145-V282 WeakPolarHBondContact O-CA 3.42Å; V146-V282 HydrophobicContact CG1-CG2 4.41Å; V146-V282 HydrophobicContact CG2-CG1 4.14Å; V146-V282 HydrophobicContact CG2-CG2 4.27Å; L263-V282 WeakPolarHBondContact CA-O 3.24Å; T264-V282 HydrophobicContact CG2-CB 4.09Å; T264-V282 PolarHBondContact N-O 3.04Å; T264-V282 PolarHBondContact O-N 3.1Å; L280-V282 HydrophobicContact CD1-CG2 4.13Å; L280-V282 HydrophobicContact CG-CG2 4.28Å; V282-I284 HydrophobicContact CG1-CD1 4.41Å; V282-I284 HydrophobicContact CG1-CG1 3.98Å
283L91.4Very high87.9Confident17 Ų1744 Ų449%0.08924%0.238CC..EExtended strand (participates in β ladder)trans-98.8118176.2176.957.3000109.8E145 F147 F164 E261 V262 L263E145-L283 HydrophobicContact CB-CB 4.13Å; E145-L283 PolarHBondContact N-O 3.35Å; E145-L283 PolarHBondContact O-N 3.4Å; E145-L283 WeakPolarHBondContact OE2-CD2 3.03Å; F147-L283 HydrophobicContact CD2-CB 4.45Å; F147-L283 HydrophobicContact CE2-CB 3.8Å; F147-L283 HydrophobicContact CE2-CD2 4.33Å; F164-L283 HydrophobicContact CD2-CD1 4.19Å; F164-L283 HydrophobicContact CE2-CD1 3.59Å; F164-L283 HydrophobicContact CZ-CD1 4.25Å; E261-L283 HydrophobicContact CB-CD1 4.2Å; V262-L283 CarbonylContact O-C 3.56Å; V262-L283 WeakPolarHBondContact O-CA 3.24Å; L263-L283 HydrophobicContact CD1-CB 4.1Å
284I90.6Very high88Confident23 Ų2350 Ų5012%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-115.1134.6-176.9-54.6175.7000107.8P144 V262 T264 V282 F292P144-I284 HydrophobicContact CB-CG1 4.23Å; V262-I284 HydrophobicContact CB-CB 4.43Å; V262-I284 PolarHBondContact N-O 2.91Å; V262-I284 PolarHBondContact O-N 3.07Å; T264-I284 HydrophobicContact CG2-CD1 3.81Å; T264-I284 HydrophobicContact CG2-CG1 4.5Å; V282-I284 HydrophobicContact CG1-CD1 4.41Å; V282-I284 HydrophobicContact CG1-CG1 3.98Å; I284-F292 HydrophobicContact CD1-CE2 3.64Å; I284-F292 HydrophobicContact CD1-CZ 3.79Å
285K89Confident88.4Confident62 Ų6252 Ų5227%0.2728%0.275SS..EExtended strand (participates in β ladder)trans-128.4163.8-177-58.1175.3-174.8153.10109.8P142 E145 E261P142-K285 VanDerWaalsContact CB-O 3.26Å; P142-K285 WeakPolarHBondContact CB-O 3.36Å; E145-K285 IonicContact OE1-NZ 2.63Å; E145-K285 PolarHBondContact OE1-NZ 2.99Å; E145-K285 IonicContact OE2-NZ 2.66Å; E145-K285 PolarHBondContact OE2-NZ 2.62Å; E261-K285 HydrophobicContact CG-CG 4.12Å; E261-K285 VanDerWaalsContact OE1-CE 3.26Å; E261-K285 WeakPolarHBondContact OE1-CE 3.47Å
286G83.9Confident89Confident30 Ų3048.4 Ų48.431%0.30926%0.257SS..G310 helixtrans70.2-148.6173.100000114.6S288 V289G286-S288 VanDerWaalsContact C-N 3.29Å; G286-S288 PolarHBondContact O-N 3.28Å; G286-S288 VanDerWaalsContact O-N 3.12Å; G286-V289 VanDerWaalsContact O-CB 3.25Å; G286-V289 WeakPolarHBondContact O-CB 3.41Å; G286-V289 VanDerWaalsContact O-CG2 3.32Å; G286-V289 WeakPolarHBondContact O-CG2 3.31Å; G286-V289 PolarHBondContact O-N 3.35Å
287S82Confident89.3Confident52 Ų5246.6 Ų46.636%0.36425%0.245SC..G310 helixtrans-56.7-34.7-165.349.20000115.2V289 S290S287-V289 PolarHBondContact O-N 3.12Å; S287-V289 VanDerWaalsContact O-N 3.15Å; S287-S290 WeakPolarHBondContact O-CB 3.47Å; S287-S290 PolarHBondContact O-N 2.85Å; S287-S290 VanDerWaalsContact O-N 3.09Å; S287-S290 PolarHBondContact O-OG 3.18Å
288S84.3Confident89.5Confident46 Ų4649.5 Ų49.532%0.32225%0.253SS..G310 helixtrans-59.9-22.4178.1-56.80000113.8G286 S290 H291G286-S288 VanDerWaalsContact C-N 3.29Å; G286-S288 PolarHBondContact O-N 3.28Å; G286-S288 VanDerWaalsContact O-N 3.12Å; S288-S290 PolarHBondContact O-N 3.48Å; S288-H291 PolarHBondContact O-N 2.96Å
289V89.5Confident89.9Confident5 Ų544 Ų443%0.0323%0.228CC..Hα-helixtrans-63-25.6176174.10000112.3I256 W259 V262 G286 S287 H291 F292 H293I256-V289 HydrophobicContact CG2-CG1 4.23Å; W259-V289 WeakPolarHBondContact O-CG1 3.33Å; V262-V289 HydrophobicContact CB-CG2 4.42Å; V262-V289 HydrophobicContact CG2-CB 4.03Å; V262-V289 HydrophobicContact CG2-CG1 3.63Å; V262-V289 HydrophobicContact CG2-CG2 3.73Å; G286-V289 VanDerWaalsContact O-CB 3.25Å; G286-V289 WeakPolarHBondContact O-CB 3.41Å; G286-V289 VanDerWaalsContact O-CG2 3.32Å; G286-V289 WeakPolarHBondContact O-CG2 3.31Å; G286-V289 PolarHBondContact O-N 3.35Å; S287-V289 PolarHBondContact O-N 3.12Å; S287-V289 VanDerWaalsContact O-N 3.15Å; V289-H291 VanDerWaalsContact C-N 3.28Å; V289-H291 PolarHBondContact O-N 3.05Å; V289-F292 PolarHBondContact O-N 3.28Å; V289-H293 PolarHBondContact O-N 3.2Å
290S87.7Confident90.1Very high32 Ų3244.6 Ų44.622%0.22423%0.229CC..Hα-helixtrans-57.7-36.9177.462.50000113.4S287 S288 H293 Q294S287-S290 WeakPolarHBondContact O-CB 3.47Å; S287-S290 PolarHBondContact O-N 2.85Å; S287-S290 VanDerWaalsContact O-N 3.09Å; S287-S290 PolarHBondContact O-OG 3.18Å; S288-S290 PolarHBondContact O-N 3.48Å; S290-H293 PolarHBondContact O-N 2.96Å; S290-Q294 WeakPolarHBondContact O-CG 3.3Å; S290-Q294 PolarHBondContact O-N 3.4Å
291H90.8Very high90.3Very high125 Ų12546.4 Ų46.458%0.57925%0.247SC*.Hα-helixtrans-68.8-41.5177-66.6-52.7000112.3S288 V289 H293 Q294 E295S288-H291 PolarHBondContact O-N 2.96Å; V289-H291 VanDerWaalsContact C-N 3.28Å; V289-H291 PolarHBondContact O-N 3.05Å; H291-H293 VanDerWaalsContact C-N 3.3Å; H291-H293 PolarHBondContact O-N 2.95Å; H291-Q294 PolarHBondContact O-N 3.21Å; H291-E295 WeakPolarHBondContact O-CB 3.45Å; H291-E295 PolarHBondContact O-N 2.89Å
292F93.3Very high90.3Very high45 Ų4548.9 Ų48.920%0.19727%0.265CS..Hα-helixtrans-65.7-32.9174.8-70-85000112.3F254 I256 V262 T264 I284 V289 E295 F296F254-F292 HydrophobicContact CB-CD1 4.44Å; F254-F292 HydrophobicContact CD1-CD1 4.32Å; F254-F292 HydrophobicContact CD2-CD1 4Å; F254-F292 HydrophobicContact CE2-CB 4.38Å; F254-F292 HydrophobicContact CE2-CD1 4.26Å; F254-F292 HydrophobicContact CG-CD1 4.03Å; F254-F292 HydrophobicContact CG-CE1 4.48Å; I256-F292 HydrophobicContact CD1-CB 3.97Å; V262-F292 HydrophobicContact CB-CD2 4.37Å; V262-F292 HydrophobicContact CB-CG 4.43Å; V262-F292 HydrophobicContact CG1-CB 4.25Å; V262-F292 HydrophobicContact CG1-CD1 3.85Å; V262-F292 HydrophobicContact CG1-CD2 4.04Å; V262-F292 HydrophobicContact CG1-CE1 4.17Å; V262-F292 HydrophobicContact CG1-CE2 4.35Å; V262-F292 HydrophobicContact CG1-CG 3.78Å; V262-F292 HydrophobicContact CG1-CZ 4.41Å; V262-F292 HydrophobicContact CG2-CB 3.84Å; V262-F292 HydrophobicContact CG2-CD2 4.13Å; V262-F292 HydrophobicContact CG2-CG 4.06Å; T264-F292 HydrophobicContact CG2-CE1 4.35Å; T264-F292 HydrophobicContact CG2-CZ 4.11Å; I284-F292 HydrophobicContact CD1-CE2 3.64Å; I284-F292 HydrophobicContact CD1-CZ 3.79Å; V289-F292 PolarHBondContact O-N 3.28Å; F292-E295 PolarHBondContact O-N 3Å; F292-F296 WeakPolarHBondContact O-CB 3.37Å; F292-F296 PolarHBondContact O-N 3.2Å
293H91.7Very high90.4Very high44 Ų4448.1 Ų48.120%0.20426%0.261CS..Hα-helixtrans-68.3-43.7172.8-175.8-168.5000111.8W259 V289 S290 H291 E295 F296 L297W259-H293 HydrophobicContact CE3-CB 4.2Å; W259-H293 AromaticContact CE3-CD2 3.54Å; W259-H293 AromaticContact CE3-CG 3.69Å; W259-H293 AromaticContact CE3-NE2 3.85Å; W259-H293 AromaticContact CH2-CD2 3.94Å; W259-H293 HydrophobicContact CZ3-CB 4.39Å; W259-H293 AromaticContact CZ3-CD2 3.26Å; W259-H293 WeakPolarHBondContact CZ3-CD2 3.4Å; W259-H293 AromaticContact CZ3-CG 3.85Å; W259-H293 AromaticContact CZ3-NE2 3.72Å; V289-H293 PolarHBondContact O-N 3.2Å; S290-H293 PolarHBondContact O-N 2.96Å; H291-H293 VanDerWaalsContact C-N 3.3Å; H291-H293 PolarHBondContact O-N 2.95Å; H293-E295 VanDerWaalsContact C-N 3.3Å; H293-E295 PolarHBondContact O-N 3.41Å; H293-F296 PolarHBondContact O-N 3.03Å; H293-L297 WeakPolarHBondContact O-CG 3.39Å; H293-L297 PolarHBondContact O-N 3.37Å
294Q92.4Very high90.4Very high129 Ų12953.3 Ų53.360%0.60328%0.283SS*.Hα-helixtrans-58.2-43.2172.4-73.6175.2-15.400111.6S290 H291 L297 R298S290-Q294 WeakPolarHBondContact O-CG 3.3Å; S290-Q294 PolarHBondContact O-N 3.4Å; H291-Q294 PolarHBondContact O-N 3.21Å; Q294-L297 PolarHBondContact O-N 3.49Å; Q294-R298 PolarHBondContact O-N 3.15Å
295E93.2Very high90.3Very high45 Ų4556.1 Ų56.121%0.2130%0.302CS..Hα-helixtrans-65.4-48.2178.2-173.545.5-111.700111.8F254 H291 F292 H293 L297 R298 L299F254-E295 HydrophobicContact CE1-CG 4.25Å; F254-E295 HydrophobicContact CZ-CB 4.4Å; F254-E295 HydrophobicContact CZ-CG 4.12Å; H291-E295 WeakPolarHBondContact O-CB 3.45Å; H291-E295 PolarHBondContact O-N 2.89Å; F292-E295 PolarHBondContact O-N 3Å; H293-E295 VanDerWaalsContact C-N 3.3Å; H293-E295 PolarHBondContact O-N 3.41Å; E295-L297 VanDerWaalsContact C-N 3.27Å; E295-L297 PolarHBondContact O-N 3.05Å; E295-R298 WeakPolarHBondContact O-CA 3.23Å; E295-R298 VanDerWaalsContact O-CB 3.29Å; E295-R298 WeakPolarHBondContact O-CB 3.41Å; E295-R298 PolarHBondContact O-N 3.1Å; E295-R298 IonicContact OE1-CZ 2.68Å; E295-R298 IonicContact OE1-NE 3.54Å; E295-R298 PolarHBondContact OE1-NE 3.39Å; E295-R298 IonicContact OE1-NH2 3.72Å; E295-R298 PolarHBondContact OE1-NH2 3.18Å; E295-R298 IonicContact OE2-CZ 2.82Å; E295-R298 IonicContact OE2-NE 3.67Å; E295-R298 PolarHBondContact OE2-NE 3.32Å; E295-R298 IonicContact OE2-NH2 2.99Å; E295-R298 PolarHBondContact OE2-NH2 3.11Å; E295-R298 VanDerWaalsContact OE2-NH2 3.14Å; E295-L299 WeakPolarHBondContact O-CG 3.35Å; E295-L299 PolarHBondContact O-N 3.33Å; E295-L299 WeakPolarHBondContact OE1-CD2 3.37Å; E295-L299 WeakPolarHBondContact OE1-CG 3.36Å
296F94.3Very high90.3Very high0 Ų053.4 Ų53.40%029%0.291CS..Hα-helixtrans-54.3-42173175.8-92.8000112.5A173 V175 H200 L202 F254 I256 W259 F292 H293 L299 H300 L315A173-F296 HydrophobicContact CB-CD1 4.49Å; A173-F296 HydrophobicContact CB-CD2 3.86Å; A173-F296 HydrophobicContact CB-CE1 4.3Å; A173-F296 HydrophobicContact CB-CE2 3.63Å; A173-F296 HydrophobicContact CB-CG 4.3Å; A173-F296 HydrophobicContact CB-CZ 3.87Å; V175-F296 HydrophobicContact CG2-CD2 3.87Å; H200-F296 HydrophobicContact CB-CE2 4.27Å; H200-F296 HydrophobicContact CB-CZ 3.73Å; L202-F296 HydrophobicContact CD1-CD2 3.73Å; L202-F296 HydrophobicContact CD1-CE2 3.58Å; L202-F296 HydrophobicContact CD1-CZ 4.27Å; L202-F296 HydrophobicContact CG-CD2 4.29Å; L202-F296 HydrophobicContact CG-CE2 3.7Å; L202-F296 HydrophobicContact CG-CZ 4.37Å; F254-F296 HydrophobicContact CE2-CB 4.31Å; I256-F296 HydrophobicContact CD1-CB 4.21Å; W259-F296 AromaticContact CH2-CD1 3.75Å; W259-F296 HydrophobicContact CH2-CD1 3.75Å; W259-F296 AromaticContact CH2-CE1 3.84Å; W259-F296 HydrophobicContact CH2-CE1 3.84Å; W259-F296 HydrophobicContact CH2-CG 4.5Å; W259-F296 HydrophobicContact CZ3-CD1 4.08Å; F292-F296 WeakPolarHBondContact O-CB 3.37Å; F292-F296 PolarHBondContact O-N 3.2Å; H293-F296 PolarHBondContact O-N 3.03Å; F296-L299 PolarHBondContact O-N 3.31Å; F296-H300 HydrophobicContact CE1-CB 4.42Å; F296-H300 VanDerWaalsContact O-CB 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.49Å; F296-H300 PolarHBondContact O-N 3.4Å; F296-L315 HydrophobicContact CE1-CD2 4.16Å
297L92.9Very high89.8Confident38 Ų3857.7 Ų57.720%0.19931%0.313CS..Hα-helixtrans-68.1-34.7176.2-69.4173.9000112.4H293 Q294 E295 S301 L315H293-L297 WeakPolarHBondContact O-CG 3.39Å; H293-L297 PolarHBondContact O-N 3.37Å; Q294-L297 PolarHBondContact O-N 3.49Å; E295-L297 VanDerWaalsContact C-N 3.27Å; E295-L297 PolarHBondContact O-N 3.05Å; L297-S301 WeakPolarHBondContact O-CB 3.41Å; L297-S301 PolarHBondContact O-N 3.25Å; L297-S301 PolarHBondContact O-OG 3.08Å; L297-L315 HydrophobicContact CD2-CD2 4.32Å
298R92.3Very high89.1Confident126 Ų12658.1 Ų58.148%0.47533%0.326SS..Hα-helixtrans-61.7-51.5172.7-173.3-17871.984.2-4.6111E252 Q294 E295 S301 S302E252-R298 IonicContact OE1-NH2 3.41Å; Q294-R298 PolarHBondContact O-N 3.15Å; E295-R298 WeakPolarHBondContact O-CA 3.23Å; E295-R298 VanDerWaalsContact O-CB 3.29Å; E295-R298 WeakPolarHBondContact O-CB 3.41Å; E295-R298 PolarHBondContact O-N 3.1Å; E295-R298 IonicContact OE1-CZ 2.68Å; E295-R298 IonicContact OE1-NE 3.54Å; E295-R298 PolarHBondContact OE1-NE 3.39Å; E295-R298 IonicContact OE1-NH2 3.72Å; E295-R298 PolarHBondContact OE1-NH2 3.18Å; E295-R298 IonicContact OE2-CZ 2.82Å; E295-R298 IonicContact OE2-NE 3.67Å; E295-R298 PolarHBondContact OE2-NE 3.32Å; E295-R298 IonicContact OE2-NH2 2.99Å; E295-R298 PolarHBondContact OE2-NH2 3.11Å; E295-R298 VanDerWaalsContact OE2-NH2 3.14Å; R298-S301 PolarHBondContact O-N 2.91Å; R298-S302 PolarHBondContact O-N 2.84Å
299L93Very high88.7Confident3 Ų357.2 Ų57.22%0.01632%0.316CS..Hα-helixtrans-65.7-41.9178.3-59176.7000111.7V175 L202 V233 I250 F254 E295 F296 S301 S302 S303V175-L299 HydrophobicContact CG1-CD1 3.6Å; V175-L299 HydrophobicContact CG2-CD1 4.15Å; L202-L299 HydrophobicContact CD1-CB 3.68Å; V233-L299 HydrophobicContact CG1-CB 4.34Å; V233-L299 HydrophobicContact CG1-CD2 4.15Å; V233-L299 HydrophobicContact CG2-CB 4.44Å; I250-L299 HydrophobicContact CD1-CD2 4.36Å; F254-L299 HydrophobicContact CE1-CD1 4.45Å; F254-L299 HydrophobicContact CZ-CD1 4.48Å; E295-L299 WeakPolarHBondContact O-CG 3.35Å; E295-L299 PolarHBondContact O-N 3.33Å; E295-L299 WeakPolarHBondContact OE1-CD2 3.37Å; E295-L299 WeakPolarHBondContact OE1-CG 3.36Å; F296-L299 PolarHBondContact O-N 3.31Å; L299-S301 PolarHBondContact O-N 2.89Å; L299-S302 PolarHBondContact O-N 2.98Å; L299-S302 PolarHBondContact O-OG 3.46Å; L299-S303 VanDerWaalsContact O-CB 3.28Å; L299-S303 WeakPolarHBondContact O-CB 3.43Å; L299-S303 PolarHBondContact O-N 2.84Å
300H91.3Very high87.4Confident20 Ų2060.2 Ų60.29%0.09333%0.334CS..Hα-helixtrans-62.1-35.5176.2-168.9-62.6000111.3L202 R231 F296 S303L202-H300 HydrophobicContact CD1-CB 4.11Å; L202-H300 HydrophobicContact CD2-CB 4.4Å; R231-H300 WeakPolarHBondContact CD-NE2 3.25Å; R231-H300 PolarHBondContact NE-CE1 3.35Å; F296-H300 HydrophobicContact CE1-CB 4.42Å; F296-H300 VanDerWaalsContact O-CB 3.27Å; F296-H300 WeakPolarHBondContact O-CB 3.49Å; F296-H300 PolarHBondContact O-N 3.4Å; H300-S303 WeakPolarHBondContact CA-OG 3.48Å; H300-S303 PolarHBondContact O-N 3.06Å; H300-S303 PolarHBondContact O-OG 2.72Å
301S91Very high86.3Confident101 Ų10160.8 Ų60.871%0.70634%0.337SS*.Hα-helixtrans-68.2-31.4178.2-610000113.5L297 R298 L299L297-S301 WeakPolarHBondContact O-CB 3.41Å; L297-S301 PolarHBondContact O-N 3.25Å; L297-S301 PolarHBondContact O-OG 3.08Å; R298-S301 PolarHBondContact O-N 2.91Å; L299-S301 PolarHBondContact O-N 2.89Å
302S90.2Very high84.9Confident59 Ų5962.3 Ų62.341%0.41334%0.342SS..Hα-helixtrans-85.9-19.117365.70000113.7R298 L299R298-S302 PolarHBondContact O-N 2.84Å; L299-S302 PolarHBondContact O-N 2.98Å; L299-S302 PolarHBondContact O-OG 3.46Å
303S92.8Very high83.9Confident8 Ų861.6 Ų61.66%0.05634%0.34CS..  trans-70.5148.3-174.474.60000114.8R231 S232 L299 H300R231-S303 PolarHBondContact NE-OG 2.97Å; R231-S303 PolarHBondContact NH2-O 3Å; S232-S303 CarbonylContact O-C 3.53Å; S232-S303 VanDerWaalsContact O-CA 3.29Å; S232-S303 WeakPolarHBondContact O-CA 3.26Å; L299-S303 VanDerWaalsContact O-CB 3.28Å; L299-S303 WeakPolarHBondContact O-CB 3.43Å; L299-S303 PolarHBondContact O-N 2.84Å; H300-S303 WeakPolarHBondContact CA-OG 3.48Å; H300-S303 PolarHBondContact O-N 3.06Å; H300-S303 PolarHBondContact O-OG 2.72Å
304K91.6Very high82.5Confident126 Ų12664.4 Ų64.455%0.54837%0.365SS..EExtended strand (participates in β ladder)trans-105.6140.3176.5-62.1166.9-172.9168.20110R231 S232R231-K304 CarbonylContact C-O 3.49Å; R231-K304 VanDerWaalsContact CA-O 3.26Å; R231-K304 WeakPolarHBondContact CA-O 3.44Å; R231-K304 WeakPolarHBondContact CB-O 3.42Å; S232-K304 PolarHBondContact N-O 3.02Å; S232-K304 PolarHBondContact O-N 3.05Å
305P89.3Confident81Confident82 Ų8261 Ų6153%0.53235%0.35SS..EExtended strand (participates in β ladder)trans-64139173.628.8-34.5000110.7
306V88.1Confident79.1Confident6 Ų661.3 Ų61.34%0.03636%0.356CS..PPolyproline II helixtrans-77.4129.1178.5-178.30000109.8L208 V212 V230 G308 F309L208-V306 HydrophobicContact CD1-CG1 4.34Å; L208-V306 HydrophobicContact CD1-CG2 3.84Å; L208-V306 HydrophobicContact CD2-CG1 4.31Å; L208-V306 HydrophobicContact CD2-CG2 4.2Å; V212-V306 HydrophobicContact CG2-CG1 4.28Å; V230-V306 HydrophobicContact CB-CG2 4.44Å; V230-V306 HydrophobicContact CG1-CB 4.45Å; V230-V306 HydrophobicContact CG1-CG2 3.96Å; V230-V306 PolarHBondContact O-N 3.31Å; V230-V306 VanDerWaalsContact O-N 3.17Å; V306-G308 PolarHBondContact O-N 2.92Å; V306-F309 HydrophobicContact CB-CD2 3.74Å; V306-F309 HydrophobicContact CB-CE2 4.29Å; V306-F309 HydrophobicContact CG1-CD2 3.63Å; V306-F309 HydrophobicContact CG1-CE2 3.75Å; V306-F309 PolarHBondContact O-N 2.73Å
307P75.1Confident76.6Confident119 Ų11970 Ų7077%0.77340%0.397SS*.THydrogen-bonded Turntrans-54.8138.9177.3-26.835.5000112.7F309P307-F309 VanDerWaalsContact C-N 3.33Å
308G67Low74Confident61 Ų6172.9 Ų72.963%0.62942%0.419SS*.THydrogen-bonded Turntrans87.2-12-178.500000115.3S222 V306S222-G308 WeakPolarHBondContact CB-O 3.48Å; S222-G308 PolarHBondContact OG-O 3.33Å; V306-G308 PolarHBondContact O-N 2.92Å
309F75.4Confident71.6Confident28 Ų2873.2 Ų73.212%0.12343%0.429CS..  trans-93117.8172.5-66.4-91.3000110.4F211 W215 V230 V306 P307 T311F211-F309 HydrophobicContact CE1-CE1 4.21Å; F211-F309 HydrophobicContact CE1-CE2 4.36Å; F211-F309 AromaticContact CE1-CZ 3.69Å; F211-F309 HydrophobicContact CE1-CZ 3.69Å; F211-F309 HydrophobicContact CZ-CZ 4.48Å; W215-F309 HydrophobicContact CB-CZ 4.46Å; W215-F309 AromaticContact CD2-CE1 3.62Å; W215-F309 HydrophobicContact CD2-CE1 3.62Å; W215-F309 AromaticContact CD2-CZ 3.69Å; W215-F309 HydrophobicContact CD2-CZ 3.69Å; W215-F309 AromaticContact CE2-CE1 3.58Å; W215-F309 AromaticContact CE2-CZ 3.94Å; W215-F309 AromaticContact CE3-CE1 3.8Å; W215-F309 HydrophobicContact CE3-CE1 3.8Å; W215-F309 HydrophobicContact CE3-CZ 4.11Å; W215-F309 HydrophobicContact CG-CE1 4.24Å; W215-F309 AromaticContact CG-CZ 3.82Å; W215-F309 HydrophobicContact CG-CZ 3.82Å; W215-F309 AromaticContact CH2-CE1 3.97Å; W215-F309 HydrophobicContact CH2-CE1 3.97Å; W215-F309 AromaticContact CZ2-CE1 3.79Å; W215-F309 HydrophobicContact CZ2-CE1 3.79Å; W215-F309 AromaticContact CZ3-CE1 3.97Å; W215-F309 HydrophobicContact CZ3-CE1 3.97Å; V230-F309 HydrophobicContact CB-CB 4.43Å; V230-F309 HydrophobicContact CB-CD1 3.99Å; V230-F309 HydrophobicContact CB-CD2 4.33Å; V230-F309 HydrophobicContact CB-CE1 4.37Å; V230-F309 HydrophobicContact CB-CG 3.97Å; V230-F309 HydrophobicContact CG2-CD1 3.49Å; V230-F309 VanDerWaalsContact CG2-CD1 3.49Å; V230-F309 HydrophobicContact CG2-CE1 3.73Å; V230-F309 HydrophobicContact CG2-CG 4.01Å; V230-F309 HydrophobicContact CG2-CZ 4.42Å; V306-F309 HydrophobicContact CB-CD2 3.74Å; V306-F309 HydrophobicContact CB-CE2 4.29Å; V306-F309 HydrophobicContact CG1-CD2 3.63Å; V306-F309 HydrophobicContact CG1-CE2 3.75Å; V306-F309 PolarHBondContact O-N 2.73Å; P307-F309 VanDerWaalsContact C-N 3.33Å; F309-T311 HydrophobicContact CB-CG2 4.28Å
310V61.9Low68.9Low67 Ų6778.7 Ų78.741%0.40647%0.467SS..  trans-103.7108.6178.6-174.90000108F312V310-F312 HydrophobicContact CG1-CE2 3.65Å; V310-F312 HydrophobicContact CG1-CZ 3.67Å
311T64.7Low66.4Low45 Ų4583.9 Ų83.928%0.27649%0.494SS..  trans-116.6124.5-165.673.70000109.7F309F309-T311 HydrophobicContact CB-CG2 4.28Å
312F61.3Low64Low156 Ų15686.1 Ų86.168%0.68449%0.488SS*.  trans-106.58-179.2-63.1-83.1000113.3P226 V310 S314P226-F312 HydrophobicContact CB-CD2 3.7Å; P226-F312 HydrophobicContact CB-CE2 4.44Å; P226-F312 PolarHBondContact O-N 3.17Å; V310-F312 HydrophobicContact CG1-CE2 3.65Å; V310-F312 HydrophobicContact CG1-CZ 3.67Å; F312-S314 PolarHBondContact O-N 3.25Å
313I73.3Confident61.1Low30 Ų3088.2 Ų88.215%0.15450%0.503CS..PPolyproline II helixtrans-79.4116.3176-23.3179.6000109.6V199 K227V199-I313 WeakPolarHBondContact O-CD1 3.02Å; K227-I313 VanDerWaalsContact C-CD1 3.45Å; K227-I313 VanDerWaalsContact O-CD1 3.31Å; K227-I313 WeakPolarHBondContact O-CD1 3.4Å
314S60.4Low58.3Low104 Ų10495.5 Ų95.573%0.72754%0.536SS*.PPolyproline II helixtrans-66.2139.3157-61.30000109.1F312F312-S314 PolarHBondContact O-N 3.25Å
315L61Low55.4Low56 Ų5694.5 Ų94.529%0.29355%0.545SS..PPolyproline II helixtrans-52.9140.2161.8-90.2176.7000109.3F296 L297 Q317F296-L315 HydrophobicContact CE1-CD2 4.16Å; L297-L315 HydrophobicContact CD2-CD2 4.32Å; L315-Q317 PolarHBondContact O-N 3.32Å; L315-Q317 VanDerWaalsContact O-N 3.07Å
316P53.8Low52.7Low52 Ų5298 Ų9834%0.33855%0.554SS.*  trans-54.9115.7160.1-21.733.8000108.5W259W259-P316 HydrophobicContact CZ2-CG 4.1Å
317Q42.5Very low49.8Very low182 Ų182106.2 Ų106.285%0.8559%0.592SS**PPolyproline II helixtrans-68.8144.1173.1-71.7-177.7-23.700109L315 L319L315-Q317 PolarHBondContact O-N 3.32Å; L315-Q317 VanDerWaalsContact O-N 3.07Å; Q317-L319 PolarHBondContact O-N 3.22Å
318C38.3Very low47.6Very low99 Ų99108.8 Ų108.867%0.66959%0.594SS**PPolyproline II helixtrans-49.9121.8-163-55.90000113.6
319L41Very low46.1Very low133 Ų133110.8 Ų110.870%0.69660%0.595SS**PPolyproline II helixtrans-82.8119.8161.3-77.4174.9000109Q317 L321Q317-L319 PolarHBondContact O-N 3.22Å; L319-L321 HydrophobicContact CB-CD1 4.19Å; L319-L321 HydrophobicContact CB-CG 4.18Å; L319-L321 HydrophobicContact CD1-CD1 4.12Å; L319-L321 PolarHBondContact O-N 3.08Å
320C36.3Very low44.1Very low118 Ų118117.5 Ų117.580%0.79763%0.632SS**  trans-74.956171.5-60.60000111.5
321L39.2Very low42.6Very low129 Ų129117.8 Ų117.868%0.67565%0.649SS**  trans-90.2143.8166.7-63.1171.7000108L319L319-L321 HydrophobicContact CB-CD1 4.19Å; L319-L321 HydrophobicContact CB-CG 4.18Å; L319-L321 HydrophobicContact CD1-CD1 4.12Å; L319-L321 PolarHBondContact O-N 3.08Å
322Y41.4Very low40.9Very low148 Ų148122.5 Ų122.558%0.5868%0.682SS**  trans65.946.8-164.6-58-79.7000115.5
323S29.1Very low39.5Very low103 Ų103121.3 Ų121.372%0.7268%0.683SS**  trans-95.3103.9133.9-69.90000107.9S325S323-S325 PolarHBondContact O-N 3.4Å; S323-S325 VanDerWaalsContact O-N 3.15Å
324Q33.3Very low37.2Very low162 Ų162131.8 Ų131.876%0.75772%0.721SS**  trans-70107.7172.3-93178.9-39.400109.3H326Q324-H326 VanDerWaalsContact C-N 3.33Å; Q324-H326 PolarHBondContact O-N 3.36Å
325S30.7Very low35.7Very low105 Ų105134.3 Ų134.373%0.73472%0.719SS**  trans-69.390.6164.851.60000109.3S323 E327S323-S325 PolarHBondContact O-N 3.4Å; S323-S325 VanDerWaalsContact O-N 3.15Å; S325-E327 VanDerWaalsContact C-N 3.34Å; S325-E327 PolarHBondContact O-N 2.73Å
326H32.2Very low34.1Very low154 Ų154137.5 Ų137.571%0.71375%0.746SS**  trans-66.496.1163.1-100.7-85.3000108.7Q324 H328Q324-H326 VanDerWaalsContact C-N 3.33Å; Q324-H326 PolarHBondContact O-N 3.36Å; H326-H328 PolarHBondContact O-N 2.81Å; H326-H328 VanDerWaalsContact O-N 3.12Å
327E27Very low32.9Very low179 Ų179143.3 Ų143.384%0.83677%0.768SS**  trans-67.3106.3169.9-67-165.7141.600109.5S325S325-E327 VanDerWaalsContact C-N 3.34Å; S325-E327 PolarHBondContact O-N 2.73Å
328H30.3Very low32.4Very low174 Ų174144.1 Ų144.181%0.80677%0.769SS**  trans-84.3128158.5-100-84.8000108.7H326H326-H328 PolarHBondContact O-N 2.81Å; H326-H328 VanDerWaalsContact O-N 3.12Å
329P35.8Very low31.7Very low103 Ų103146.3 Ų146.367%0.66978%0.78SS**  trans-73.8142.1-175.728.7-34.6000112.4
330N32.6Very low31.2Very low168 Ų168145.9 Ų145.990%0.89878%0.782SS**  trans64110162.4-57.4-32.6000118
331G30.3Very low30.8Very low74 Ų74146.9 Ų146.976%0.76379%0.785SS**  trans15257.5148.900000119.8
332C28.3Very low30.3Very low143 Ų143145.3 Ų145.397%0.96679%0.791SS**  trans-177.5150.6130.3-102.90000112.8
333N33.4Very low29.5Very low132 Ų132143 Ų14371%0.70680%0.802SS**  trans-99.1125.3-179.8175.4-4000110.1
334W24.5Very low29.3Very low250 Ų250144.5 Ų144.595%0.94781%0.811SS**  trans-133.9135.8161.5-146-73.5000111
335K28.4Very low29.1Very low157 Ų157142.3 Ų142.368%0.68381%0.813SS**  trans-84.6133.5-172.6-62.9176.6-178.2175.90111.4H337K335-H337 PolarHBondContact O-N 2.78Å
336S28.3Very low29.3Very low123 Ų123143.9 Ų143.986%0.8682%0.821SS**  trans-66127.9175.8-46.20000112
337H29.1Very low28.9Very low174 Ų174140.1 Ų140.181%0.80682%0.824SS**  trans-113141.6165.2-82.1-100.6000110.3K335K335-H337 PolarHBondContact O-N 2.78Å
338K29.9Very low28.8Very low198 Ų198140.7 Ų140.786%0.86183%0.827SS**  trans-79.4133.4-170.8-61.9174.5179.4177.20111.3
339T25.6Very low28.6Very low146 Ų146140.8 Ų140.890%0.89683%0.832SS**  trans-80.9121.6161-48.70000109.1
340V28.7Very low28.1Very low123 Ų123140.4 Ų140.475%0.74583%0.831SS**  trans-132.5136.4166.9177.40000108.5
341T29.7Very low27.8Very low139 Ų139141 Ų14185%0.85383%0.833SS**PPolyproline II helixtrans-58.1130.9-177.1-42.80000112.3
342A26.9Very low27.7Very low97 Ų97146 Ų14680%0.80284%0.837SS**PPolyproline II helixtrans-102.9116.9171.800000110.6
343A26.1Very low28Very low99 Ų99144.4 Ų144.482%0.81883%0.825SS**PPolyproline II helixtrans-85.6149.5166.200000110.1
344C24.6Very low27.9Very low135 Ų135144.3 Ų144.391%0.91283%0.831SS**PPolyproline II helixtrans-85.8124.8-180-67.20000112
345S29.1Very low28.1Very low115 Ų115142 Ų14280%0.80483%0.831SS**  trans-139.5133.9158.4-71.10000108.3
346P34.9Very low27.9Very low138 Ų138138.2 Ų138.290%0.89684%0.836SS**  trans-83.3148.4-178.733.4-34.3000112.2
347G24.4Very low27.9Very low76 Ų76139 Ų13978%0.78483%0.831SS**  trans-147136.9168.500000109.6
348E24.9Very low27.9Very low191 Ų191139.5 Ų139.589%0.89383%0.83SS**  trans-78.1159.4-177.2-61.2169.894.400112.5
349I26.2Very low27.7Very low176 Ų176138.9 Ų138.990%0.90383%0.831SS**  -162.8147.4127.6-101.1152.9000109.4
350S23.5Very low28.4Very low95 Ų95136.4 Ų136.466%0.66482%0.817SS**  trans-99150.3-169.9-176.90000113.4
351L27.9Very low28.5Very low179 Ų179137.6 Ų137.694%0.93782%0.818SS**  trans-137.6150.5153.2-76.7-179.8000110.2
352Q28.3Very low28.4Very low181 Ų181137.2 Ų137.285%0.84681%0.806SS**  trans-105.7164.9-162.2-91.2-175.8-19.900115.3
353P34.8Very low28.4Very low108 Ų108139.6 Ų139.670%0.70180%0.799SS**  trans-91.1169-177.938-37.2000114.3
354P30.3Very low28.5Very low130 Ų130141.7 Ų141.784%0.84479%0.794SS**  trans-76.5160.5171.232.6-35.8000113.5
355Q28.1Very low28.7Very low203 Ų203143.5 Ų143.595%0.94979%0.789SS**  trans-107.4159.1-173.7-75.5-169.9-37.800115.3
356G24.9Very low29.7Very low76 Ų76143.3 Ų143.378%0.78479%0.785SS**  trans151.3126.9159.300000111.7
357D28.2Very low30.4Very low140 Ų140142 Ų14275%0.74978%0.777SS**  cis-160163.9-4.2-176.824.8000109.9
358K29.3Very low30.6Very low184 Ų184146 Ų14680%0.878%0.78SS**  trans82.9143.9167.2-51.1-177.2-178.1171.60119.9
359Q26.3Very low31.5Very low185 Ų185142 Ų14286%0.86477%0.77SS**  trans-104.5-171.8-177-68.8-165.8-0.300110.7
360P40Very low31.5Very low95 Ų95141.4 Ų141.462%0.61777%0.768SS**  cis-145.4179.18.243.2-23000119.6
361I29.5Very low31.8Very low147 Ų147148 Ų14875%0.75478%0.778SS**  trans72.4137.2148-79.1160.2000116.9
362E28.1Very low32.4Very low131 Ų131145.4 Ų145.461%0.61277%0.772SS**  cis-158.9158.85.1-123.6-176.1-179.600115.7
363K27.6Very low32.3Very low147 Ų147141.6 Ų141.664%0.63977%0.765SS**  trans57.8120.1145.4-73.9167.3-169.41490126.4
364I27.6Very low32Very low143 Ų143142.7 Ų142.773%0.73377%0.77SS**  76.8103122.7-59.8170.3000122.3
365H28.2Very low31.9Very low174 Ų174144.1 Ų144.181%0.80677%0.765SS**  21163.5116.5-73.3-65.6000123.4
366P50.9Low31.8Very low111 Ų111140.2 Ų140.272%0.72176%0.756SS**  -133.6-129.1-64.334.9-9.9000112.1
367P50.4Low31.8Very low110 Ų110141.3 Ų141.371%0.71476%0.757SS**  -117.7-175.6-86.635.2-15.3000117.2
368L28Very low31.7Very low161 Ų161139.1 Ų139.184%0.84376%0.758SS**  trans-7.2153.7148.6-73.6167.7000119.2
369P43.3Very low31.5Very low107 Ų107139 Ų13970%0.69576%0.76SS**  -164.1-177.561.245.7-23.6000122.1
370L25.8Very low31.5Very low163 Ų163136.1 Ų136.185%0.85376%0.761SS**  trans83.7145.8143-86.2161.2000124.4
371W29.3Very low30.8Very low233 Ų233134.7 Ų134.788%0.88376%0.764SS**  trans-98166.8172.1-57.7-46.9000112.4
372P41.4Very low30.7Very low125 Ų125135.2 Ų135.281%0.81277%0.774SS**  -147.4-157.5102.138.7-21.8000113.6
373S27.2Very low30.5Very low100 Ų100132.9 Ų132.970%0.69979%0.785SS**  -170.1171.9-72.4-75.60000110.5
374V27.6Very low30.6Very low132 Ų132130.5 Ų130.580%0.879%0.793SS**  trans71.8148.3156.5147.40000117.7
375Q28.4Very low30.4Very low160 Ų160133 Ų13375%0.74880%0.798SS**  cis-168.6154.5-29.9-139.2172.46.600112
376T25Very low30.3Very low121 Ų121130.5 Ų130.574%0.74280%0.796SS**  trans24.4126.1153.240.50000126.3
377A26Very low29Very low99 Ų99133.5 Ų133.582%0.81880%0.8SS**  91.6161.5116.500000124.7
378A26.5Very low27.8Very low93 Ų93135.2 Ų135.277%0.76980%0.803SS**  trans89.797158.400000122.5
379E25Very low27.8Very low181 Ų181136.1 Ų136.185%0.84680%0.802SS**  45116.7125.1-60.8-171.5122.900125.5
380S26.4Very low27.1Very low125 Ų125138.1 Ų138.187%0.87481%0.807SS**  76161127.782.30000121.7
381G25.6Very low27.4Very low66 Ų66137.8 Ų137.868%0.6880%0.801SS**  trans119.472.3153.800000119.1
382T26.9Very low27.5Very low157 Ų157132 Ų13296%0.96379%0.788SS**  trans21.711915013.70000120.8
383G24.4Very low26.9Very low82 Ų82133.5 Ų133.585%0.84578%0.784SS**  trans-146.6143161.900000111.1
384A28.1Very low27.2Very low98 Ų98135.6 Ų135.681%0.8179%0.786SS**  trans-117.4128.3-167.700000114.3
385K25Very low27.1Very low194 Ų194138 Ų13884%0.84379%0.788SS**  trans61.7144137.9-158-176.8-177-177.20119.8
386T24.9Very low26.9Very low122 Ų122133.3 Ų133.375%0.74878%0.783SS**  trans104.5156.8157.8-37.60000114.9
387E24.3Very low27Very low174 Ų174137.9 Ų137.981%0.81379%0.786SS**  trans78.3130.4178.4-138.3152158.100114.9
388L24.2Very low28.2Very low147 Ų147137.5 Ų137.577%0.7778%0.776SS**  cis178-178.5-28.8-111.2166.1000104.5
389Q28.5Very low28.2Very low179 Ų179141.1 Ų141.184%0.83678%0.776SS**  trans67.6149.3176.3-59.9178.2-14.400115.4
390N29Very low28.7Very low149 Ų149138.8 Ų138.880%0.79777%0.769SS**  cis-128.3150.96.4-153.94.5000114.4
391Q32Very low30Very low156 Ų156137.7 Ų137.773%0.72976%0.759SS**  trans-91177.8171.3-77.5175.5-8.600109.6
392N30.2Very low30Very low112 Ų112140 Ų14060%0.59976%0.756SS**  cis-154.1142.8-14.7-108.9-26.8000104.5
393Q30.7Very low30.2Very low157 Ų157140.2 Ų140.273%0.73475%0.745SS**  83.5150.166.3-148.8-156.2123.900114.8
394I32.7Very low30.4Very low144 Ų144141.4 Ų141.474%0.73874%0.737SS**  trans78130.2-178.6-57.2173.4000112.9
395H26.3Very low30.5Very low181 Ų181145.8 Ų145.884%0.83874%0.738SS**  cis-148.1-175-10.9-130.355.7000108.4
396G24.1Very low30.7Very low62 Ų62141 Ų14164%0.63973%0.729SS**  cis-167.5177.52.500000112.5
397R26.3Very low30.8Very low217 Ų217141.9 Ų141.982%0.81973%0.729SS**  trans-116.5-175.4-179.2-117.4-164158.6-168.1-4.1109.9
398P52Low31Very low92 Ų92139.4 Ų139.460%0.59773%0.725SS**  cis-120.8-172.3-1.719.38.7000112.2
399H26.5Very low31.1Very low169 Ų169140.3 Ų140.378%0.78273%0.726SS**  cis-153.7168.136.5-113.7-82.2000114.4
400L34Very low31Very low131 Ų131138.8 Ų138.869%0.68672%0.723SS**  trans-126.2174.5159.7-131.182.7000106.8
401P54.2Low30.9Very low102 Ų102139.1 Ų139.166%0.66272%0.723SS**  cis-141.6-164.845.347.1-26.3000113.9
402D26.3Very low30.7Very low116 Ų116136 Ų13662%0.6272%0.719SS**  cis-157153.816.5-130.5-18000115.1
403Q31.4Very low30.5Very low160 Ų160136.2 Ų136.275%0.74873%0.725SS**  trans32.4148.8144.9-71.9170.768.500123.9
404T28.2Very low30.2Very low108 Ų108135.3 Ų135.366%0.66373%0.73SS**  cis-161.2139-21.5-59.30000110.5
405F29.8Very low30.2Very low189 Ų189135 Ų13583%0.82973%0.734SS**  trans-18.7167.8141.3-62.9-72.7000119
406S28.8Very low30.2Very low94 Ų94136.6 Ų136.666%0.65774%0.739SS**  cis-162.1177.6-2.7-118.30000112.2
407D27.6Very low30.6Very low141 Ų141142.3 Ų142.375%0.75475%0.746SS**  trans-54.7176.7168.8-39.9-100.8000116
408V28.1Very low30.8Very low121 Ų121138 Ų13873%0.73374%0.74SS**  162.9118.2117.3161.10000114
409Q26.4Very low29.7Very low166 Ų166138 Ų13878%0.77675%0.746SS**  trans43.4123.9139-63.2-173.1-32.800125.2
410L26.8Very low29.7Very low148 Ų148138.1 Ų138.178%0.77575%0.747SS**  72.7136.1108.7-15689.9000122.4
411L27.3Very low29.3Very low155 Ų155137 Ų13781%0.81275%0.746SS**  trans118137134.3-150.966.2000119
412S26.5Very low27.9Very low90 Ų90140.8 Ų140.863%0.62976%0.755SS**  trans-61.7153.4172.9-1790000114.8
413T25.8Very low28.2Very low118 Ų118142.7 Ų142.772%0.72476%0.76SS**  173.8148113.432.30000116.9
414T25.8Very low29Very low138 Ų138140 Ų14085%0.84776%0.756SS**  trans72.3154146.6500000123.6
415V31.5Very low29Very low137 Ų137144.2 Ų144.283%0.8376%0.76SS**  trans-100.6146178.4170.90000111.1
416K26.1Very low28.9Very low214 Ų214141.5 Ų141.593%0.9375%0.754SS**  trans-147.6170.9153.7-112.6171.7-176.8177.90110.9
417K33.8Very low29Very low183 Ų183143.7 Ų143.780%0.79676%0.758SS**  trans-142157.1-155.2-154.5-161.6169.5-169.90113.2
418N30.3Very low29.1Very low127 Ų127143.5 Ų143.568%0.67976%0.757SS**  trans86.4122.4162.9-61.4-9.3000119.6
419A28.7Very low29Very low90 Ų90144.6 Ų144.674%0.74476%0.759SS**  trans65.4153.8133.100000119.6
420E26Very low29.2Very low172 Ų172144.5 Ų144.580%0.80476%0.762SS**  cis-157.4176.45.1-148.9177.7104.200111.3
421V25.1Very low29.2Very low108 Ų108142 Ų14266%0.65576%0.757SS**  trans71132.5162.5176.90000114.7
422Q24.8Very low29.3Very low182 Ų182141.5 Ų141.585%0.8576%0.755SS**  cis-151.7146.927.6-150.6149.864.200112.9
423E32.8Very low29.3Very low155 Ų155142.4 Ų142.472%0.72476%0.757SS**  trans-109.2165.5157.3-157.7-144.9122.400107.7R425E423-R425 PolarHBondContact OE1-N 2.92Å
424P48.8Very low29.6Very low103 Ų103146 Ų14667%0.66977%0.765SS**  -160.8153.994.840.3-20.1000119.5
425R29.3Very low29.5Very low198 Ų198142.7 Ų142.775%0.74776%0.758SS**  124.8134.8111.2-106.2164.4-169.8177.13.8120.2E423E423-R425 PolarHBondContact OE1-N 2.92Å
426N27.5Very low29.4Very low131 Ų131147 Ų14770%0.70176%0.759SS**  trans78.7140.8144-68.7-15.1000120
427L30.3Very low29.7Very low140 Ų140143.2 Ų143.273%0.73375%0.745SS**  cis-169.7179.5-16.9-126.1174.5000110.9
428N29Very low29.4Very low138 Ų138140.4 Ų140.474%0.73874%0.739SS**  trans89.484.6161-56.7-16.5000121
429D26.9Very low29.6Very low144 Ų144139.3 Ų139.377%0.7774%0.736SS**  15.2136.4113.3-163.916.7000121.4
430L29.5Very low29.5Very low163 Ų163142.2 Ų142.285%0.85373%0.734SS**  trans-178.1170.4132.5-102.5172.2000113.3
431S26.6Very low29.7Very low95 Ų95137.3 Ų137.366%0.66473%0.729SS**  trans-148.7178.3-174.3640000115.2
432L29.7Very low30.2Very low146 Ų146139.7 Ų139.776%0.76473%0.734SS**  trans93.8124.4162.5-64.6160.5000122.1
433T27.6Very low30.6Very low109 Ų109136.2 Ų136.267%0.66973%0.729SS**  trans75.6124.1135.652.70000125.8
434H31.6Very low30.5Very low193 Ų193132 Ų13289%0.89473%0.727SS**  trans73.2121.6130.8-76.815.3000123.4
435G24.3Very low29.7Very low68 Ų68135 Ų13570%0.70174%0.737SS**  133.9116.4100.600000121.5
436R28.9Very low29.6Very low229 Ų229135.8 Ų135.886%0.86474%0.74SS**  trans66.1152.8154.8-62.6175.6113.8167.21.4117.5
437Q32.1Very low29.8Very low133 Ų133137.6 Ų137.662%0.62174%0.742SS**  cis-150.8-170.7-10.9-127.3167.5-121.900107.5
438N28.4Very low29.8Very low125 Ų125137 Ų13767%0.66874%0.735SS**  cis-136.6-177.820.2-106.3-8.9000109
439V32.9Very low29.8Very low104 Ų104136.8 Ų136.863%0.6373%0.734SS**  cis83.1120.726.6159.80000114.6
440H28Very low29.8Very low151 Ų151134.2 Ų134.270%0.69973%0.727SS**  cis-130.4167.40.6-104-7.9000110
441G30.3Very low29.9Very low68 Ų68134.7 Ų134.770%0.70173%0.73SS**  cis99.4142.224.600000110.5
442Q35.4Very low29.9Very low159 Ų159134.9 Ų134.974%0.74374%0.737SS**  cis-157.8-177.87.1-48-176.434.300107
443S33.3Very low30.1Very low108 Ų108135.8 Ų135.876%0.75574%0.742SS**  cis-171.9173.9-16.140.90000106.3
444G29.7Very low30.9Very low66 Ų66136.4 Ų136.468%0.6875%0.747SS**  cis160.5-169.2-4.200000112.5
445L33.1Very low30.6Very low168 Ų168135.2 Ų135.288%0.8875%0.747SS**  trans72149.1159.4-55.6165.8000117.7
446R26.6Very low30.8Very low213 Ų213135 Ų13580%0.80475%0.746SS**  cis-157.3141.310.2-141.1-176.8-177.3-1632.2112.2
447K30.9Very low30.7Very low170 Ų170129.8 Ų129.874%0.73974%0.744SS**  trans26.8153.6137-69.9-174.2169.2-116.10122.2
448Q31.6Very low30.7Very low127 Ų127128.2 Ų128.259%0.59375%0.748SS**  cis-178.4165.4-13.8-115.9-176.7-7300109.7
449N28Very low30.8Very low134 Ų134130.8 Ų130.872%0.71776%0.756SS**  trans67.8161.8153.3-66.311.1000119
450S27.8Very low30.6Very low90 Ų90128.6 Ų128.663%0.62975%0.754SS**  cis-174.3142.4-29.156.30000113.5
451L30.8Very low30.6Very low173 Ų173127.3 Ų127.391%0.90676%0.757SS**  trans63.2146.5146.5-79.9163.9000124
452A27Very low30.6Very low98 Ų98133.3 Ų133.381%0.8176%0.764SS**  trans93.9135.6146.900000122.5
453L33Very low30.3Very low166 Ų166130.3 Ų130.387%0.86977%0.767SS**  trans-93160.8159.8-79.4157.4000109.2
454P44.3Very low30.3Very low122 Ų122134.1 Ų134.179%0.79277%0.773SS**  -151.7-179.294.540-21.4000116.1
455D26.4Very low30.7Very low167 Ų167139.3 Ų139.389%0.89378%0.779SS**  trans-77.1173.4176.8-48.8-90.3000115.2
456G27.9Very low30.6Very low65 Ų65142.7 Ų142.767%0.6778%0.78SS**  trans15669.7150.300000123.3
457S27.4Very low30.8Very low118 Ų118138.6 Ų138.683%0.82577%0.774SS**  trans63.1149.214259.70000124.6
458S32Very low31.2Very low101 Ų101140 Ų14071%0.70678%0.775SS**  trans58.1132.2167.3-67.20000119.1
459E31Very low31.2Very low178 Ų178140.8 Ų140.883%0.83278%0.783SS**  cis-169.3179.6-12.5-122.7161.310500108.7
460G27.1Very low31.4Very low58 Ų58139 Ų13960%0.59878%0.777SS**  cis173.7-170.74.600000113
461V29.5Very low31.7Very low125 Ų125139.9 Ų139.976%0.75878%0.784SS**  trans50.1101.7166.3-143.30000119.9
462F29Very low31.7Very low193 Ų193136.9 Ų136.985%0.84678%0.783SS**  175.9132.6103.7-115.1-77.7000115.2
463A29.5Very low31.7Very low97 Ų97135.3 Ų135.380%0.80278%0.777SS**  trans44.5167.4152.400000123.1
464Q34.3Very low31.5Very low187 Ų187137.4 Ų137.487%0.87478%0.78SS**  trans-148.3173.3-161.7-162.1176.915.900111.3
465Q36.5Very low31Very low176 Ų176137.8 Ų137.882%0.82278%0.78SS**  trans91.898.9145.9-167.6-179.3-12.100121.7
466R32.7Very low31.4Very low239 Ų239136 Ų13690%0.90278%0.777SS**  trans178150.2132.5-105.6177.1169.6138.4-2.4108.9
467N29Very low31.2Very low127 Ų127139.6 Ų139.668%0.67978%0.781SS**  cis-154.9131.1-12.3-153.429.4000104.7
468R40.3Very low31.4Very low200 Ų200140.7 Ų140.776%0.75578%0.776SS**  52.7135.465.7-94.1-170.4179.51723114
469N30.9Very low31.2Very low142 Ų142145.3 Ų145.376%0.75979%0.787SS**  cis-136.3-167.629.2-76-58.7000115.4
470T32.9Very low31.1Very low97 Ų97141 Ų14160%0.59578%0.782SS**  -174.1148.5-66.6-58.60000107.9
471S34.8Very low31.1Very low109 Ų109146.2 Ų146.276%0.76279%0.79SS**  trans-80.9152.3172.155.70000114.4
472A30Very low31Very low109 Ų109149.7 Ų149.790%0.90179%0.79SS**  trans-166.9165.7143.400000111.5
473G28.3Very low31.1Very low66 Ų66147.3 Ų147.368%0.6879%0.786SS**  trans-151.6148.9165.300000111.3
474F27.4Very low31.1Very low210 Ų210149.6 Ų149.692%0.92178%0.78SS**  trans-156160.6165.5-102.8-75.1000109.2
475T33.7Very low31.4Very low130 Ų130146.4 Ų146.480%0.79878%0.776SS**  trans-79.8157-170.446.80000114.7
476P35.5Very low31Very low128 Ų128143.6 Ų143.683%0.83177%0.766SS**  trans-130.5-178.4131.839.8-31.4000113.4
477D24Very low30.8Very low141 Ų141136.2 Ų136.275%0.75475%0.751SS**  trans-101.6173.6-160.2-137.2-25.7000115.2
478I31.2Very low30.7Very low142 Ų142135 Ų13573%0.72875%0.753SS**  trans-4.1121.9162.3-65.2150.7000118.1
479Q27.3Very low30.2Very low198 Ų198135.7 Ų135.793%0.92576%0.755SS**  -153.7159.9115.1-132.2168.5-1.300111.8
480A28.7Very low30.2Very low88 Ų88136.6 Ų136.673%0.72776%0.759SS**  trans-120.7153-160.100000114.1
481Q27.7Very low30Very low166 Ų166136.1 Ų136.178%0.77677%0.765SS**  -166.3132.9128.9-110.8-175.3-124.200112.9
482R28.1Very low29.7Very low198 Ų198140.5 Ų140.575%0.74777%0.772SS**  trans45.9135.8133.8-70.1-162.2171.3125.31121.1
483D30.1Very low29.7Very low143 Ų143140.3 Ų140.377%0.76577%0.771SS**  cis-146.7153.35.7-90.8-41.6000112.8
484Q29.3Very low29.6Very low146 Ų146144.9 Ų144.968%0.68277%0.772SS**  trans-111.2156.2157.4-143.8-162.2-900106.7
485P42.1Very low29.6Very low120 Ų120141.8 Ų141.878%0.77977%0.77SS**  -135.6165.179.423.4-0.6000112.5
486D27.1Very low29.2Very low117 Ų117142.5 Ų142.563%0.62676%0.764SS**  cis75.313937-136.946.1000112.4
487S28Very low28.9Very low84 Ų84144.4 Ų144.459%0.58777%0.767SS**  cis-165.2153.5-19.5-124.20000111.9
488S28.2Very low28.9Very low102 Ų102146.2 Ų146.271%0.71377%0.771SS**  trans66163.1163.482.30000116.7
489R29.7Very low28.6Very low214 Ų214145 Ų14581%0.80877%0.773SS**  cis-170.916141.6-131.2168-160.7-153.92.6111.1
490I30.3Very low28.4Very low161 Ų161142.4 Ų142.483%0.82677%0.766SS**  trans70.9138.6158.3-62.3159.2000115.1
491A28.9Very low28.3Very low87 Ų87146.7 Ų146.772%0.71977%0.771SS**  cis-137162.26.100000112.6
492H28.9Very low29.1Very low200 Ų200143.3 Ų143.393%0.92676%0.763SS**  trans-102.9143.4157.8-76.8-94.3000110.2
493A29.3Very low29Very low106 Ų106143 Ų14388%0.87677%0.771SS**  trans-129.6121.3163.900000109.2
494K25.7Very low28.8Very low162 Ų162143.4 Ų143.470%0.70477%0.772SS**  trans-113.1127.6173.8-174.3-158.9-174.8-157.30107.3E496K494-E496 VanDerWaalsContact CE-OE2 3.24Å; K494-E496 WeakPolarHBondContact CE-OE2 3.47Å; K494-E496 VanDerWaalsContact NZ-CD 3.31Å; K494-E496 IonicContact NZ-OE1 3.02Å; K494-E496 PolarHBondContact NZ-OE1 2.64Å; K494-E496 IonicContact NZ-OE2 3.29Å; K494-E496 PolarHBondContact NZ-OE2 2.73Å
495V28.4Very low28.6Very low144 Ų144144.5 Ų144.587%0.87378%0.782SS**  trans-126142.7165.2178.90000107.3
496E24.5Very low27.8Very low145 Ų145143.9 Ų143.968%0.67878%0.78SS**  trans-109.3172.4-165.1-149.6145.2165.900112.2K494K494-E496 VanDerWaalsContact CE-OE2 3.24Å; K494-E496 WeakPolarHBondContact CE-OE2 3.47Å; K494-E496 VanDerWaalsContact NZ-CD 3.31Å; K494-E496 IonicContact NZ-OE1 3.02Å; K494-E496 PolarHBondContact NZ-OE1 2.64Å; K494-E496 IonicContact NZ-OE2 3.29Å; K494-E496 PolarHBondContact NZ-OE2 2.73Å
497L29.9Very low28.6Very low168 Ų168143.9 Ų143.988%0.8879%0.786SS**  trans-70.9146.5-175-67.3154.9000112.3
498Q23Very low29.3Very low179 Ų179145.1 Ų145.184%0.83679%0.792SS**  trans-142.4148.4140.1-160.8157.6-13.200110.1
499C25.4Very low29.1Very low117 Ų117145.6 Ų145.679%0.79180%0.796SS**  trans-139.1136.7-174-179.50000107.9
500D22.8Very low29Very low143 Ų143140.5 Ų140.577%0.76579%0.793SS**  trans-143.6135.7174.2-94.8-55.8000112.8
501Q26.8Very low28.8Very low179 Ų179141.3 Ų141.384%0.83679%0.793SS**  trans-161.7163.4173.6-117.1-161.6-7.900105.9
502P45.5Very low28.7Very low95 Ų95145.8 Ų145.862%0.61780%0.796SS**  cis-132.1-165.8-042.3-26000112.5
503Q24.7Very low28.6Very low192 Ų192142.2 Ų142.290%0.89779%0.789SS**  -160.2175.4123.8-109.9178.440.900112.5
504L26.5Very low28.4Very low151 Ų151147.9 Ų147.979%0.79179%0.787SS**  trans-117.6175.8-159.7-88.1121.2000114.2
505L25Very low28.8Very low169 Ų169145.6 Ų145.689%0.88579%0.789SS**  trans99.1154.6161.2-53.6178.1000118.2
506S24.5Very low28.6Very low107 Ų107145.5 Ų145.575%0.74878%0.784SS**  trans-169.1-176.2-170.764.40000108.4
507P44.2Very low28.9Very low116 Ų116146.6 Ų146.675%0.75379%0.793SS**  cis-114.4-128.5-44.536-17.2000107.6
508P42.4Very low28.7Very low110 Ų110144 Ų14471%0.71479%0.789SS**  cis-131.7163.5-35.936.8-20.2000116.1
509S25.2Very low29Very low113 Ų113146.4 Ų146.479%0.7979%0.791SS**  trans-173.4136.3141.847.10000108.8
510S26.6Very low29Very low106 Ų106149.7 Ų149.774%0.74179%0.794SS**  cis9081.639.4-680000115.4
511Q27.3Very low29.2Very low179 Ų179147.8 Ų147.884%0.83679%0.788SS**  trans178.4138133.8-95.6168.191.600110.7
512K26Very low29Very low180 Ų180144.2 Ų144.278%0.78378%0.783SS**  62.6129.390.4-130.5175.9-172.4179.70111.8
513T26.8Very low28.1Very low125 Ų125149 Ų14977%0.76779%0.794SS**  -16416754.9-530000112.2
514R24.8Very low28.1Very low225 Ų225151.6 Ų151.685%0.84980%0.796SS**  trans-72.1172.6166.5-62177.5169.6171.4-4.7111.4
515P34.9Very low28.1Very low115 Ų115149.6 Ų149.675%0.74780%0.795SS**  -145.1153.591.737.7-22.3000116.8
516N24.4Very low28.2Very low141 Ų141147 Ų14775%0.75479%0.79SS**  trans22.1126.9141.8-49.3-17.5000120.7
517L31Very low28.2Very low168 Ų168151.4 Ų151.488%0.8879%0.791SS**  -152.6127.396.6-159.169.7000111.6
518S25Very low27.3Very low114 Ų114152.6 Ų152.680%0.79779%0.786SS**  trans-102.6126.9170.745.10000110
519R28.5Very low26.6Very low230 Ų230157.2 Ų157.287%0.86879%0.791SS**  trans-141.990.5165.2-139.7176.8-169.6-165.81.7110.9
520Q27.1Very low26.6Very low185 Ų185159.7 Ų159.786%0.86479%0.792SS**  trans-78129173.4-165.2173.818.300108.4
521V26.6Very low26.9Very low104 Ų104160.1 Ų160.163%0.6379%0.792SS**  trans-123109.3174.8179.10000108.1F523V521-F523 HydrophobicContact CG1-CD2 3.68Å; V521-F523 HydrophobicContact CG1-CE2 3.51Å
522S22.4Very low26.8Very low104 Ų104159.2 Ų159.273%0.72779%0.793SS**  trans-90.5135.3167.9-58.40000109.2
523F26.4Very low26.9Very low195 Ų195159 Ų15986%0.85580%0.799SS**  trans-120.9132.9161.8-88.6-71.8000110.9V521V521-F523 HydrophobicContact CG1-CD2 3.68Å; V521-F523 HydrophobicContact CG1-CE2 3.51Å
524R24.4Very low27Very low246 Ų246161.9 Ų161.993%0.92880%0.804SS**  trans-90.5165.2174.5-112.2-176.9175.1-172.6-0.7110.3
525S26.1Very low27.7Very low110 Ų110156.8 Ų156.877%0.76980%0.8SS**  trans-50.4134.9174.5-178.30000115.5
526S27.4Very low27.2Very low113 Ų113159.5 Ų159.579%0.7981%0.809SS**  trans-135.3128.1141.7-58.20000104.1
527R25Very low27.4Very low201 Ų201156.9 Ų156.976%0.75881%0.806SS**  cis66.3133.138.7-142.4-167.3-161.5-121.46.5113.1
528E26.1Very low27.1Very low140 Ų140158 Ų15865%0.65480%0.804SS**  trans76.8140171.1-49.4-163.8175.600114.1
529Y26.2Very low27.1Very low207 Ų207163.7 Ų163.781%0.81281%0.808SS**  cis-151.4160.6-5.9-140.5-118.6000108.8
530M26.2Very low27Very low166 Ų166155.4 Ų155.482%0.81880%0.795SS**  trans-111.3129.2173.1-71-141.176.200111.9
531P31.7Very low27.1Very low114 Ų114153.2 Ų153.274%0.7479%0.794SS**  trans-86.4118.9171.832.2-30.2000111.3
532N25.8Very low27.3Very low161 Ų161152.8 Ų152.886%0.86180%0.795SS**  trans-79142.6162.1-79.5-58.4000109.9
533L28.7Very low27.6Very low174 Ų174156.3 Ų156.391%0.91180%0.798SS**  trans-132116.7163.3-77.5172000109.4
534Q29Very low27.9Very low186 Ų186153 Ų15387%0.86979%0.785SS**  trans-110.5156.9166.9-103.4-167-1700109.7
535P37.9Very low28.1Very low118 Ų118149.1 Ų149.177%0.76678%0.777SS**  trans-79.5153.8-168.632.9-36.3000112.9
536N26.2Very low28.3Very low173 Ų173146.7 Ų146.793%0.92577%0.769SS**  trans-138.4157.8162.5-116-33.3000109.3
537A27.5Very low28.2Very low85 Ų85150.8 Ų150.870%0.70277%0.773SS**  trans-138.5163.9-158.600000115.6
538F24.5Very low28.6Very low193 Ų193148.4 Ų148.485%0.84677%0.773SS**  trans83.4138155.1-103.7-81000121.7
539R26Very low28.9Very low233 Ų233145.7 Ų145.788%0.87976%0.762SS**  trans75.8131.8152.1-159.1-178.5-63.8-133.21.1116.7
540G25.5Very low29.1Very low56 Ų56145.2 Ų145.258%0.57776%0.759SS**  cis157.8178.4-8.100000113.4
541T30.6Very low29.4Very low139 Ų139143.7 Ų143.785%0.85375%0.75SS**  trans74.6151.1174.375.70000117.1
542S29.3Very low29.3Very low94 Ų94147.8 Ų147.866%0.65776%0.759SS**  cis-173.5172.2-2656.20000111.7
543K30Very low29.4Very low178 Ų178143.3 Ų143.377%0.77475%0.751SS**  trans77.8151.3157.7-70.8-163.8172.9-1640119.1
544Q31.9Very low29.1Very low125 Ų125146.7 Ų146.758%0.58475%0.752SS**  cis-165.1145.7-25.6-157.2163.6-48.800107.7
545E29.3Very low29.1Very low166 Ų166144.9 Ų144.978%0.77675%0.747SS**  122.5146.4113.3-152.5127.7-110.100109.8
546G29.2Very low28.5Very low58 Ų58146.2 Ų146.260%0.59875%0.748SS**  cis-176.1-178.2-500000112.8
547F26Very low28.6Very low199 Ų199145.9 Ų145.987%0.87375%0.745SS**  trans69.2118.5179.4-67.5-93.7000116.9
548M33.5Very low28.6Very low152 Ų152147 Ų14775%0.74975%0.748SS**  cis84.8145.120.8-49.1-164.173.100115.9
549D32.1Very low28.6Very low82 Ų82142.7 Ų142.744%0.43974%0.741SS.*  cis-141.6-154.59.4-146.3-2.2000111.4H551D549-H551 IonicContact OD1-CE1 3.82Å; D549-H551 PolarHBondContact OD1-CE1 2.82Å; D549-H551 IonicContact OD1-ND1 3.64Å; D549-H551 IonicContact OD2-CE1 3.91Å; D549-H551 IonicContact OD2-NE2 3.34Å
550R30Very low28.7Very low198 Ų198140.7 Ų140.775%0.74774%0.742SS**  cis-145.1-134.714.5-168.7119.8-87.2-147.1-4113
551H32.6Very low28.6Very low134 Ų134143.5 Ų143.562%0.6275%0.748SS**  trans-143.5169.8-158.2-44.7-34.4000111D549D549-H551 IonicContact OD1-CE1 3.82Å; D549-H551 PolarHBondContact OD1-CE1 2.82Å; D549-H551 IonicContact OD1-ND1 3.64Å; D549-H551 IonicContact OD2-CE1 3.91Å; D549-H551 IonicContact OD2-NE2 3.34Å
552Q31Very low28.4Very low199 Ų199143 Ų14393%0.9374%0.744SS**  cis-145.4177.623.5-64.1-179.37600110.1
553G25.9Very low28.2Very low67 Ų67143.7 Ų143.769%0.69175%0.745SS**  cis152.2175.2-3.800000112.7
554R24.1Very low28Very low246 Ų246140.2 Ų140.293%0.92874%0.743SS**  trans66.7156-173.8-75.8-168.6164.8-152.3-2.4117.1
555L28.6Very low27.8Very low147 Ų147139 Ų13977%0.7775%0.747SS**  cis-171169.5-49.3-114.8176.1000110.6
556N25.6Very low27.7Very low147 Ų147141.2 Ų141.279%0.78676%0.755SS**  trans86.8124.7-177.2-53.1-14.5000113.7
557L27.8Very low27.6Very low165 Ų165149.9 Ų149.986%0.86477%0.769SS**  cis76138.327.8-129.375.5000112.8
558S26.5Very low28.6Very low110 Ų110146.4 Ų146.477%0.76977%0.767SS**  cis-148.9-17219.972.90000116.2
559S26.2Very low28.4Very low101 Ų101143.9 Ų143.971%0.70677%0.77SS**  trans-88.8174.8-167.6-43.80000117.2
560H27.3Very low29.1Very low191 Ų191145.2 Ų145.288%0.88478%0.783SS**  trans-149-174.8148.7-118.2-76.3000112.5
561T23.3Very low29.2Very low115 Ų115142.7 Ų142.771%0.70679%0.79SS**  trans-153.1175.8-152-34.20000113.4
562V26.6Very low29Very low128 Ų128140 Ų14078%0.77680%0.798SS**  trans97116.8169.7-172.40000114
563T24.6Very low29.2Very low110 Ų110137.9 Ų137.968%0.67580%0.799SS**  cis100.3100.619-52.80000115.3
564S25.5Very low29.3Very low105 Ų105138.2 Ų138.273%0.73480%0.803SS**  trans-166.3115.9155.8-177.30000108
565C27.6Very low29.6Very low99 Ų99133.3 Ų133.367%0.66980%0.8SS**  cis86.192.537.8-60.30000115
566F27Very low29.6Very low213 Ų213130.3 Ų130.393%0.93480%0.797SS**  trans-135.6141153-86.5-74.8000111.3
567R28.7Very low29.9Very low239 Ų239131.4 Ų131.490%0.90280%0.802SS**  trans-141.3140.7-175.2-163.2-179.7-167.9-170.64.3108.2
568P45.3Very low29.8Very low127 Ų127126.6 Ų126.683%0.82579%0.792SS**  trans-85.8152.9-173.533.6-36.2000113.9
569A29.5Very low30.7Very low98 Ų98126.8 Ų126.881%0.8179%0.79SS**  trans-159.4163.117500000111.1
570P46.8Very low30.8Very low110 Ų110129.3 Ų129.371%0.71479%0.791SS**  trans-135177.9-137.742.3-26.9000118.7
571T33.1Very low30.9Very low145 Ų145128.6 Ų128.689%0.8979%0.788SS**  trans65.8131.4154.331.70000121
572G28.6Very low31.1Very low78 Ų78130 Ų13080%0.80479%0.787SS**  trans-172.7119.5165.500000111.8
573T33.7Very low31.3Very low154 Ų154128 Ų12895%0.94578%0.784SS**  trans-81144.4-174.346.60000114
574G28.3Very low31.3Very low74 Ų74130.2 Ų130.276%0.76379%0.786SS**  trans-177117.4168.700000116.8
575T31.1Very low31.5Very low144 Ų144130 Ų13088%0.88378%0.784SS**  trans-39.5157.4156.940.60000115.9
576A28.7Very low31.6Very low84 Ų84133.1 Ų133.169%0.69479%0.787SS**  cis-171.5-167.8-5.100000109.9
577L31.4Very low31.6Very low170 Ų170134 Ų13489%0.8978%0.784SS**  trans73.4117.8162-65.5167.8000118.6
578G26.1Very low31.6Very low63 Ų63132.8 Ų132.865%0.64979%0.786SS**  trans-82.1-169.5139.300000110.5
579P45.1Very low30.9Very low115 Ų115134.3 Ų134.375%0.74779%0.786SS**  cis-138.5162.242.747.7-31.9000113.9
580Q27.8Very low30.8Very low154 Ų154135.6 Ų135.672%0.7279%0.789SS**  54.5110.8107.2-167.2-170.8-2600117
581Q29.9Very low29.8Very low175 Ų175133.8 Ų133.882%0.81879%0.791SS**  173.9165.8122.2-94179.913.400109.7
582Q28.1Very low29.7Very low145 Ų145135.5 Ų135.568%0.67879%0.793SS**  cis173.6129.9-44.7166.3170.6-1200107.7
583A29.5Very low29.7Very low86 Ų86143.8 Ų143.871%0.71180%0.8SS**  trans64.1168.316800000116
584E26.2Very low29.5Very low156 Ų156141 Ų14173%0.72979%0.792SS**  cis-147.6167.4-6.4-146.8179.7-123.400112.8K586E584-K586 IonicContact OE2-NZ 2.82Å; E584-K586 PolarHBondContact OE2-NZ 2.88Å
585S28.3Very low29.6Very low100 Ų100143.8 Ų143.870%0.69980%0.795SS**  trans-79.5146.8176.5-43.40000114.2
586K30.1Very low29.4Very low166 Ų166145.8 Ų145.872%0.72280%0.797SS**  trans-168116.3136-88.1122.5-155.6155.90108.1E584E584-K586 IonicContact OE2-NZ 2.82Å; E584-K586 PolarHBondContact OE2-NZ 2.88Å
587R28.5Very low29.4Very low231 Ų231148.6 Ų148.687%0.87280%0.795SS**  55.3108.686.1-77.8-170.3179.1170.51.1114.6
588F27.4Very low29.6Very low213 Ų213146 Ų14693%0.93479%0.789SS**  trans-134.8157.5140.1-100.4-84.1000109.3
589L31.4Very low29.8Very low160 Ų160150.9 Ų150.984%0.83879%0.794SS**  trans-128.6169.4-177.4-87.1171.8000110.2
590S27Very low29.3Very low125 Ų125154 Ų15487%0.87480%0.799SS**  trans69.1145.9-17777.50000115.3
591G25.4Very low29.6Very low72 Ų72153 Ų15374%0.74280%0.803SS**  cis15095.3-9.400000112.8
592L30.4Very low29.4Very low181 Ų181154.5 Ų154.595%0.94880%0.801SS**  trans-134.4144.4172.6-92.6171.3000111.9
593R30.4Very low29.5Very low251 Ų251155.4 Ų155.495%0.94781%0.809SS**  trans-97115.2-178.2-177.3-170.6-162.9178.25.3108.1
594A28.9Very low29.3Very low95 Ų95157.7 Ų157.779%0.78581%0.805SS**  trans-122.1128.9176.800000110.5
595T30.4Very low29.3Very low133 Ų133161.8 Ų161.882%0.81681%0.814SS**  trans-76.8130.2175.643.70000110.5
596M26.7Very low29.3Very low186 Ų186161.6 Ų161.692%0.91681%0.813SS**  trans-83.8115.8170.4-67.2-14972.600110.5
597Q28.1Very low29.3Very low143 Ų143159.4 Ų159.467%0.66882%0.816SS**  trans-98.8145.4159.2-72.5-175.1-16.600109.4H599Q597-H599 PolarHBondContact O-N 2.94Å
598P35.1Very low29.2Very low117 Ų117157.8 Ų157.876%0.7682%0.818SS**  trans-80.3109.7170.931.5-31.1000110.4
599H31Very low29.4Very low164 Ų164156.9 Ų156.976%0.75982%0.817SS**  trans-79.8121.3173.7-72.9-72.4000111.5Q597Q597-H599 PolarHBondContact O-N 2.94Å
600H34.4Very low29.2Very low181 Ų181154 Ų15484%0.83882%0.816SS**  trans-71.3136.2164.1-77.1-110.8000110.3R602H600-R602 PolarHBondContact O-N 2.96Å; H600-R602 VanDerWaalsContact O-N 3.15Å
601V33.8Very low29.3Very low133 Ų133152.9 Ų152.981%0.80681%0.814SS**  trans-80.495.8178.5-1790000109.6L603V601-L603 HydrophobicContact CG1-CD2 4.34Å; V601-L603 HydrophobicContact CG1-CG 4.41Å
602R25.4Very low29.5Very low207 Ų207161 Ų16178%0.78182%0.823SS**  trans-88107.1168.7-176.1-172.5-100-153.4-0.3109.5H600 H604H600-R602 PolarHBondContact O-N 2.96Å; H600-R602 VanDerWaalsContact O-N 3.15Å; R602-H604 PolarHBondContact NH1-NE2 3.27Å; R602-H604 PolarHBondContact O-N 2.81Å
603L31.8Very low29.8Very low163 Ų163158.3 Ų158.385%0.85382%0.816SS**  trans-76.297.5171.6-68.3174.3000110.1V601V601-L603 HydrophobicContact CG1-CD2 4.34Å; V601-L603 HydrophobicContact CG1-CG 4.41Å
604H25.4Very low29.7Very low135 Ų135150.3 Ų150.363%0.62581%0.811SS**  trans-79.2130.8160.4-94.9-91.5000109.5R602R602-H604 PolarHBondContact NH1-NE2 3.27Å; R602-H604 PolarHBondContact O-N 2.81Å
605W25.7Very low29.7Very low241 Ų241150.8 Ų150.891%0.91382%0.815SS**  trans-103.7116.9165-164.4-91.6000108.9
606S27.3Very low29.6Very low96 Ų96153.8 Ų153.867%0.67182%0.822SS**  trans-121.3112-177.8-56.60000109.3
607P29.8Very low29.7Very low121 Ų121149.5 Ų149.579%0.78682%0.816SS**  trans-79.3125172.631.2-30.9000110.1
608Q28.1Very low29.6Very low197 Ų197154.7 Ų154.792%0.92183%0.83SS**  trans-138.6147.2166.9-154.7168.122.500110.1
609E30.7Very low29.2Very low194 Ų194159.1 Ų159.191%0.90783%0.833SS**  trans-83.3152.1-157.1-57.1169.696.700115
610A27.1Very low29Very low98 Ų98157.6 Ų157.681%0.8183%0.83SS**  trans-153.2124.1156.700000113.4
611A28.3Very low28.8Very low102 Ų102153.9 Ų153.984%0.84382%0.824SS**  trans53.6121.8152.900000121.6
612R31.2Very low28.4Very low244 Ų244157 Ų15792%0.92183%0.828SS**  trans-70.4161.9161.8-65.5175172.4170.8-3.5112.3
613P36.3Very low28.5Very low124 Ų124152.4 Ų152.481%0.80583%0.827SS**  -132.4145.9129.436.7-27.9000115
614G28.9Very low28.4Very low83 Ų83148 Ų14886%0.85682%0.821SS**  trans48.3116.4146.700000121.4
615A29.2Very low28.5Very low104 Ų104145.6 Ų145.686%0.8683%0.825SS**  trans-92.2141.4166.400000112.6
616M28.1Very low28.7Very low197 Ų197142 Ų14297%0.9782%0.818SS**  trans-143.6139.2155.2-83.4-160.1178.200110
617A27.3Very low28.7Very low95 Ų95145 Ų14579%0.78582%0.821SS**  trans-107.6153.517400000110.8
618R27.3Very low28.8Very low253 Ų253146.6 Ų146.696%0.95583%0.829SS**  trans-154.4153.9158.6-109.4161.7-161.2-161.32.7110.9
619Y26.5Very low28.8Very low209 Ų209140.9 Ų140.982%0.8282%0.823SS**  trans-98.2155.1-164.9-105.8-121.5000113.6
620N27Very low28.7Very low132 Ų132141 Ų14171%0.70682%0.824SS**  trans9.5141.7147.4-51.8-3.4000119.8
621S28.9Very low28.9Very low103 Ų103141.3 Ų141.372%0.7283%0.826SS**  -175.1135.8116-86.40000115.7
622F27.1Very low28.8Very low199 Ų199139.8 Ų139.887%0.87382%0.82SS**  trans62.1162.1148.1-79.8-119.8000120.4
623S27.8Very low28.7Very low110 Ų110140.5 Ų140.577%0.76982%0.823SS**  cis-177.2150.2-39.5-169.10000108.7
624G27.6Very low28.3Very low71 Ų71145 Ų14573%0.73282%0.824SS**  trans120.6144.316200000115.9
625A28.6Very low28.3Very low85 Ų85146.4 Ų146.470%0.70282%0.816SS**  177146.8-53.800000108.4
626H29.1Very low28.2Very low166 Ų166148.7 Ų148.777%0.76981%0.813SS**  trans61159.1176.3-67.1-77.8000117.5
627E28.2Very low28.3Very low157 Ų157148.1 Ų148.173%0.73481%0.808SS**  cis-172.4137.4-48.6-123.3-179.7166.800109.2
628T31.7Very low28.2Very low155 Ų155149.4 Ų149.495%0.95181%0.812SS**  trans-173.1114.3147.66.30000107.2
629G28.1Very low28.2Very low78 Ų78142.7 Ų142.780%0.80480%0.803SS**  trans-114.9160.5-173.700000113.3
630Q28.4Very low28.3Very low196 Ų196137.8 Ų137.892%0.91680%0.8SS**  trans-153157.1158.5-122.7-178.711.200111.4
631A31.6Very low28.3Very low104 Ų104136.4 Ų136.486%0.8680%0.8SS**  trans4991.2167.300000117.2
632G25.4Very low28.3Very low70 Ų70138.7 Ų138.772%0.72281%0.81SS**  trans-128.7143160.300000111.1
633W29.1Very low28.4Very low260 Ų260134.2 Ų134.299%0.98580%0.803SS**  trans-127.1126.5160.3-85.399.6000109.9
634R28.6Very low28.4Very low219 Ų219136.2 Ų136.283%0.82681%0.805SS**  trans-89.3-176.1165.9-47.5-178.5-175-144.34.6108
635T28.3Very low28.4Very low112 Ų112141.7 Ų141.769%0.68780%0.803SS**  cis-153.6-164.5-4.5-10.30000104.9
636L28.6Very low28.5Very low152 Ų152147.4 Ų147.480%0.79681%0.807SS**  cis-156.7151.836-106.8102.1000110.6
637Q29.8Very low28.5Very low185 Ų185144.4 Ų144.486%0.86480%0.804SS**  trans-80.2154.9150.3-61.9168.6-74.500108.9
638S25.3Very low28.6Very low122 Ų122144.8 Ų144.885%0.85381%0.81SS**  trans-127.7141.5164.362.30000111.1
639S27.2Very low28.5Very low111 Ų111142.1 Ų142.178%0.77680%0.798SS**  trans-160.1165.2172.464.50000110.1
640S27.1Very low28.7Very low107 Ų107145.5 Ų145.575%0.74880%0.797SS**  trans67.894.2177.165.50000118.7
641S28.3Very low28.9Very low103 Ų103141.7 Ų141.772%0.7279%0.787SS**  41.2133.212362.80000122.3
642T29.2Very low28.9Very low150 Ų150143.4 Ų143.492%0.9278%0.777SS**  -164.2177.3109.617.60000111.7
643S27.8Very low29.5Very low105 Ų105150.2 Ų150.273%0.73478%0.781SS**  trans-117.5169.6-163.660.80000114.4
644L29.1Very low29.6Very low152 Ų152143.1 Ų143.180%0.79677%0.771SS**  trans149.7155.5152.9-79.8159.5000109.3
645R26.3Very low30.5Very low186 Ų186138.4 Ų138.470%0.70277%0.769SS**  cis-176142.6-32.6-164.1-172.3-164175.35.8109
646R31.6Very low30.7Very low206 Ų206137.7 Ų137.778%0.77778%0.775SS**  trans67156.7165.7-85.8168.9-177.1173.1-2.2115.7
647S28.3Very low30.8Very low102 Ų102133.3 Ų133.371%0.71377%0.766SS**  cis-147.61626.8-98.30000113.5
648L31Very low31Very low165 Ų165134.4 Ų134.486%0.86476%0.764SS**  trans-17.8150.9154.9-59158.1000116.9
649S29Very low31.5Very low99 Ų99139.2 Ų139.269%0.69276%0.763SS**  -174.1150.661.757.30000117.7
650L32Very low31.6Very low150 Ų150137.1 Ų137.179%0.78576%0.759SS**  trans56.9115.2146.2-88.294.1000124
651T33.7Very low32.3Very low116 Ų116137.2 Ų137.271%0.71277%0.767SS**  55155.4125.159.70000121.7
652E31.7Very low33Very low139 Ų139135.6 Ų135.665%0.6577%0.766SS**  cis-158.1167.320.7-149.5-169.9119.700112.9
653R37.1Very low33.5Very low214 Ų214137 Ų13781%0.80877%0.767SS**  trans84127.2159.1-61.9-177.2-174.6179.16.9121.6
654S31.5Very low33.8Very low111 Ų111144.2 Ų144.278%0.77679%0.788SS**  trans-91175.1173-35.60000111.9
655P48.1Very low34Very low120 Ų120143.8 Ų143.878%0.77979%0.788SS**  -123.7161.474.114.87.8000111.7
656A33Very low34.5Very low97 Ų97141.6 Ų141.680%0.80279%0.793SS**  cis67.2135.347.500000113.7
657G29.9Very low34.6Very low60 Ų60138 Ų13862%0.61979%0.793SS**  cis168.2-164.3-3.100000110.9
658Y34.3Very low35Very low207 Ų207140.1 Ų140.181%0.81280%0.798SS**  trans70.1149.1176.9-60.1-98000116.5
659R34.6Very low35.2Very low224 Ų224138.6 Ų138.685%0.84579%0.794SS**  cis-162.1159.8-30.6-113.2-168.8-157.9-162.55.6105.5
660G31Very low35.6Very low67 Ų67141.2 Ų141.269%0.69180%0.801SS**  cis-178.1-162.32.600000110.1
661A40.1Very low35.9Very low109 Ų109140.6 Ų140.690%0.90180%0.802SS**  trans-69.1156.9173.300000112.2
662G44Very low36.1Very low69 Ų69142.5 Ų142.571%0.71181%0.809SS**  trans-82-154.417700000114.4
663L38.4Very low36.4Very low179 Ų179142.8 Ų142.894%0.93782%0.822SS**  trans75.582-165.5-58167.1000114
664H35.3Very low36.4Very low256 Ų256136.3 Ų136.3100%1.18582%0.823SS**  -151.6098-142.4-53.6000111.9

Retrieved 664 of 664 residues in 556.3 ms (Link to these results)

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