A0A3Q0KT12_SCHMA Loading...

Subfamily M3A non-peptidase homologue (M03 family)

AlphaFold DB , UniProt , Accession A0A3Q0KT12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 844 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
1M26.6Very low26Very low68 Ų6842.5 Ų42.534%0.33522%0.217SC..  0-64.10-128.6178-146.400112.2L5 N645 N649 L762 K821M1-L5 WeakPolarHBondContact O-CG 3.24Å; M1-N645 HydrophobicContact CE-CB 4.4Å; M1-N645 WeakPolarHBondContact CE-OD1 3.15Å; M1-N645 WeakPolarHBondContact CG-OD1 3.31Å; M1-N645 PolarHBondContact SD-OD1 2.92Å; M1-N649 WeakPolarHBondContact CE-ND2 3.11Å; M1-L762 HydrophobicContact CE-CD1 3.87Å; M1-L762 HydrophobicContact SD-CD1 4.26Å; M1-K821 PolarHBondContact SD-NZ 2.95Å
2L26.7Very low26.2Very low23 Ų2346.6 Ų46.612%0.1223%0.232CC..Hα-helixtrans-70.2-39.3-179.6-85.778.3000115.1L4 L5 T6 L686 K755L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.35Å; L2-L5 PolarHBondContact O-N 3.31Å; L2-L5 VanDerWaalsContact O-N 3.16Å; L2-T6 WeakPolarHBondContact O-CG2 3.42Å; L2-T6 PolarHBondContact O-N 2.78Å; L2-T6 PolarHBondContact O-OG1 2.81Å; L2-L686 HydrophobicContact CD2-CD1 3.55Å; L2-L686 HydrophobicContact CD2-CD2 3.25Å; L2-L686 HydrophobicContact CD2-CG 3.47Å; L2-L686 VanDerWaalsContact CD2-CG 3.47Å; L2-K755 HydrophobicContact CD2-CD 3.43Å; L2-K755 VanDerWaalsContact CD2-CD 3.43Å; L2-K755 VanDerWaalsContact CD2-CE 3.45Å; L2-K755 HydrophobicContact CD2-CG 4.32Å; L2-K755 HydrophobicContact CG-CD 3.79Å; L2-K755 HydrophobicContact CG-CG 4.21Å
3R25.9Very low26.2Very low33 Ų3348.7 Ų48.713%0.12524%0.236CC..Hα-helixtrans-64.4-22.7-171.8-89.3-156.6-165.7-172.912.4117T6 L458 E459 N462 I681 Y685R3-T6 WeakPolarHBondContact CA-OG1 3.23Å; R3-T6 PolarHBondContact O-OG1 2.69Å; R3-L458 VanDerWaalsContact CZ-O 3.28Å; R3-L458 PolarHBondContact NH1-O 3.21Å; R3-L458 PolarHBondContact NH2-O 2.75Å; R3-E459 IonicContact CZ-OE2 2.69Å; R3-E459 IonicContact NH1-OE2 3.31Å; R3-E459 PolarHBondContact NH1-OE2 2.97Å; R3-N462 WeakPolarHBondContact CD-ND2 3.4Å; R3-N462 VanDerWaalsContact CZ-CB 3.42Å; R3-N462 PolarHBondContact NE-ND2 3.32Å; R3-N462 VanDerWaalsContact NH1-CB 3.3Å; R3-N462 PolarHBondContact NH2-ND2 3.1Å; R3-N462 PolarHBondContact NH2-OD1 3.22Å; R3-N462 VanDerWaalsContact NH2-OD1 3.12Å; R3-I681 PolarHBondContact NE-O 3.17Å; R3-I681 PolarHBondContact NH2-O 3.14Å; R3-Y685 HydrophobicContact CG-CD2 4.11Å; R3-Y685 HydrophobicContact CG-CE2 4.13Å; R3-Y685 VanDerWaalsContact CZ-OH 3.27Å; R3-Y685 PolarHBondContact NH1-OH 2.95Å; R3-Y685 VanDerWaalsContact NH2-CE2 3.3Å
4L28.5Very low26.1Very low28 Ų2848.8 Ų48.815%0.14724%0.243CC..Hα-helixtrans-95.3-11.8179.4-85.8147.4000112.8L2 R8 L470 N599 Y644L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.35Å; L4-R8 VanDerWaalsContact CD2-CZ 3.4Å; L4-L470 HydrophobicContact CD1-CD1 4.11Å; L4-L470 HydrophobicContact CD1-CD2 4.19Å; L4-N599 WeakPolarHBondContact CD2-OD1 3.45Å; L4-Y644 HydrophobicContact CB-CD2 4.21Å; L4-Y644 HydrophobicContact CB-CE1 3.79Å; L4-Y644 HydrophobicContact CB-CE2 3.36Å; L4-Y644 VanDerWaalsContact CB-OH 3.27Å; L4-Y644 WeakPolarHBondContact CB-OH 3.44Å; L4-Y644 HydrophobicContact CD1-CE2 4.05Å; L4-Y644 WeakPolarHBondContact CD1-OH 3.28Å; L4-Y644 HydrophobicContact CD2-CE2 4.08Å; L4-Y644 HydrophobicContact CG-CE2 3.98Å; L4-Y644 WeakPolarHBondContact CG-OH 3.31Å
5L25.4Very low26.1Very low7 Ų750.9 Ų50.94%0.03726%0.26CS..Hα-helixtrans-83.1-24.9170.1-52.9178.6000111.1M1 L2 L7 D641 Y644 R754M1-L5 WeakPolarHBondContact O-CG 3.24Å; L2-L5 PolarHBondContact O-N 3.31Å; L2-L5 VanDerWaalsContact O-N 3.16Å; L5-L7 PolarHBondContact O-N 2.95Å; L5-D641 HydrophobicContact CD1-CB 4.12Å; L5-D641 WeakPolarHBondContact CD1-OD2 3.46Å; L5-D641 VanDerWaalsContact CD2-CA 3.5Å; L5-D641 HydrophobicContact CD2-CB 3.6Å; L5-D641 WeakPolarHBondContact CD2-OD1 3.28Å; L5-D641 HydrophobicContact CG-CB 4.36Å; L5-Y644 HydrophobicContact CD2-CD1 3.79Å; L5-Y644 HydrophobicContact CD2-CG 4.04Å; L5-R754 PolarHBondContact O-NH2 3.04Å
6T27.9Very low26.2Very low32 Ų3249.1 Ų49.120%0.19625%0.251CS..SBendtrans-80.9-9.7-172.245.30000115.2L2 R3 E689L2-T6 WeakPolarHBondContact O-CG2 3.42Å; L2-T6 PolarHBondContact O-N 2.78Å; L2-T6 PolarHBondContact O-OG1 2.81Å; R3-T6 WeakPolarHBondContact CA-OG1 3.23Å; R3-T6 PolarHBondContact O-OG1 2.69Å; T6-E689 WeakPolarHBondContact CG2-OE1 3.42Å
7L25.9Very low26.3Very low81 Ų8148.8 Ų48.842%0.42425%0.253SS..SBendtrans-130.66.8-175.7-73.6163000115.3L5 K335L5-L7 PolarHBondContact O-N 2.95Å; L7-K335 HydrophobicContact CD1-CD 4.28Å
8R27.3Very low26.6Very low35 Ų3547.9 Ų47.913%0.13225%0.249CC..SBendtrans-123.9130.5179.6-62.4-176.5179.7168.21.9107.4L4 N599 S603L4-R8 VanDerWaalsContact CD2-CZ 3.4Å; R8-N599 PolarHBondContact NH1-O 3.01Å; R8-N599 VanDerWaalsContact NH1-O 3.13Å; R8-N599 PolarHBondContact NH2-OD1 3.33Å; R8-S603 VanDerWaalsContact NH1-N 3.16Å
9F24.5Very low26.6Very low31 Ų3150.3 Ų50.314%0.13625%0.254CS..  trans8158.1-170.6-46.5-78.2000117.8P11 S606 V607 T610 Y637 P640F9-P11 WeakPolarHBondContact O-CD 3.45Å; F9-S606 VanDerWaalsContact CE2-OG 3.24Å; F9-S606 WeakPolarHBondContact CE2-OG 3.32Å; F9-V607 HydrophobicContact CE1-CG2 4.09Å; F9-V607 HydrophobicContact CZ-CB 4.33Å; F9-V607 HydrophobicContact CZ-CG2 3.83Å; F9-T610 HydrophobicContact CE1-CG2 4.26Å; F9-T610 WeakPolarHBondContact CE1-OG1 3.43Å; F9-T610 WeakPolarHBondContact CZ-OG1 3.35Å; F9-Y637 HydrophobicContact CB-CD1 3.28Å; F9-Y637 HydrophobicContact CB-CE1 3.37Å; F9-Y637 HydrophobicContact CB-CG 4.18Å; F9-Y637 AromaticContact CG-CD1 3.96Å; F9-Y637 HydrophobicContact CG-CD1 3.96Å; F9-Y637 HydrophobicContact CG-CE1 4.36Å; F9-Y637 VanDerWaalsContact O-CE1 3.26Å; F9-Y637 WeakPolarHBondContact O-CE1 3.32Å; F9-Y637 PolarHBondContact O-OH 2.9Å; F9-P640 HydrophobicContact CD2-CB 3.68Å; F9-P640 HydrophobicContact CD2-CG 3.84Å; F9-P640 HydrophobicContact CE1-CB 4.25Å; F9-P640 HydrophobicContact CE2-CB 3.19Å; F9-P640 HydrophobicContact CE2-CG 3.87Å; F9-P640 HydrophobicContact CG-CB 4.46Å; F9-P640 HydrophobicContact CG-CG 4.3Å; F9-P640 HydrophobicContact CZ-CB 3.49Å; F9-P640 VanDerWaalsContact CZ-CB 3.49Å; F9-P640 HydrophobicContact CZ-CG 4.21Å
10L23.4Very low26.8Very low83 Ų8349 Ų4944%0.43525%0.25SS..  -86.7105.1128.5-81.5158.6000106K12 D328L10-K12 PolarHBondContact O-N 3.43Å; L10-K12 VanDerWaalsContact O-N 3.08Å; L10-D328 WeakPolarHBondContact CD1-OD1 3.49Å
11P24.2Very low27Very low46 Ų4650.4 Ų50.430%0.29925%0.253SS..  trans-56.3123.6153.226.9-26.5000103.2F9 R13 Y637F9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-R13 PolarHBondContact O-N 2.65Å; P11-Y637 WeakPolarHBondContact CD-OH 3.44Å
12K28.2Very low27.3Very low92 Ų9252.1 Ų52.140%0.427%0.272SS..  trans-41.998.6169.8-75.1177.1176.61740106.8L10 C14 I554L10-K12 PolarHBondContact O-N 3.43Å; L10-K12 VanDerWaalsContact O-N 3.08Å; K12-C14 PolarHBondContact O-N 3.35Å; K12-I554 HydrophobicContact CD-CD1 4.31Å
13R25.9Very low27.4Very low74 Ų7452.6 Ų52.628%0.27928%0.276SS..  trans-60.8105149.1-80.2-173172-156.8-9.5100P11 V15 N742 S743 I744P11-R13 PolarHBondContact O-N 2.65Å; R13-V15 PolarHBondContact O-N 3.14Å; R13-N742 VanDerWaalsContact NH1-C 3.26Å; R13-N742 PolarHBondContact NH1-O 3.31Å; R13-S743 PolarHBondContact NH1-O 3.13Å; R13-S743 VanDerWaalsContact NH1-O 3.1Å; R13-I744 VanDerWaalsContact CZ-CG2 3.46Å; R13-I744 VanDerWaalsContact NH1-CG2 3.27Å
14C24.8Very low27.7Very low50 Ų5056.4 Ų56.434%0.33830%0.299SS..  trans-19.9114.9-169.2-770000109K12 L16K12-C14 PolarHBondContact O-N 3.35Å; C14-L16 HydrophobicContact CB-CD2 3.41Å; C14-L16 VanDerWaalsContact CB-CD2 3.41Å; C14-L16 HydrophobicContact CB-CG 3.66Å; C14-L16 PolarHBondContact O-N 3.09Å
15V26.3Very low27.7Very low81 Ų8158.9 Ų58.949%0.49133%0.332SS..  trans-60.281.1153.5178.30000102.9R13 S17R13-V15 PolarHBondContact O-N 3.14Å; V15-S17 PolarHBondContact O-N 2.75Å
16L27.2Very low27.8Very low22 Ų2263.7 Ų63.712%0.11537%0.366CS..  trans-64.196.6165.5-61.4175.6000100C14 L18 P137C14-L16 HydrophobicContact CB-CD2 3.41Å; C14-L16 VanDerWaalsContact CB-CD2 3.41Å; C14-L16 HydrophobicContact CB-CG 3.66Å; C14-L16 PolarHBondContact O-N 3.09Å; L16-L18 PolarHBondContact O-N 2.74Å; L16-P137 HydrophobicContact CB-CG 4.39Å; L16-P137 HydrophobicContact CD1-CB 4.39Å; L16-P137 HydrophobicContact CD2-CB 3.62Å; L16-P137 HydrophobicContact CD2-CG 3.46Å; L16-P137 VanDerWaalsContact CD2-CG 3.46Å; L16-P137 HydrophobicContact CG-CB 4.42Å; L16-P137 HydrophobicContact CG-CG 4.4Å
17S28.9Very low27.9Very low43 Ų4372.7 Ų72.730%0.30140%0.398SS..  trans-57.395.3163.2118.10000104.1V15 R19V15-S17 PolarHBondContact O-N 2.75Å; S17-R19 PolarHBondContact O-N 3.47Å
18L30.9Very low28.1Very low33 Ų3378.9 Ų78.917%0.17342%0.421CS..  trans-71.898.7-176.2-83.5-179.9000108.6L16 Q251L16-L18 PolarHBondContact O-N 2.74Å; L18-Q251 HydrophobicContact CD1-CB 3.6Å; L18-Q251 HydrophobicContact CD1-CG 3.21Å; L18-Q251 HydrophobicContact CG-CG 4.3Å; L18-Q251 VanDerWaalsContact CG-NE2 3.31Å
19R27.2Very low28.5Very low93 Ų9381 Ų8135%0.35144%0.441SS..  trans-1256.5156.5-75.3-165.7-178.7-158.9-0.4114.1S17 L134 S261 L262S17-R19 PolarHBondContact O-N 3.47Å; R19-L134 HydrophobicContact CB-CD2 4.13Å; R19-S261 PolarHBondContact NH1-O 3.41Å; R19-S261 PolarHBondContact NH2-O 3.07Å; R19-S261 PolarHBondContact NH2-OG 3.21Å; R19-L262 HydrophobicContact CG-CD2 3.78Å
20S30.1Very low29.3Very low25 Ų2588.6 Ų88.618%0.17548%0.477CS..  trans-132.277.2173.470.70000112.8R138S20-R138 VanDerWaalsContact CB-NH2 3.34Å; S20-R138 PolarHBondContact OG-NE 2.97Å; S20-R138 VanDerWaalsContact OG-NE 3.13Å
21Y32.1Very low29.9Very low78 Ų7893.6 Ų93.631%0.30650%0.498SS..  trans-102.1118.3141.4-129.9-98.7000106.3P23 A248Y21-P23 HydrophobicContact CD1-CG 4.44Å; Y21-P23 WeakPolarHBondContact O-CD 3.42Å; Y21-A248 HydrophobicContact CD1-CB 4.06Å; Y21-A248 HydrophobicContact CD2-CB 3.81Å; Y21-A248 HydrophobicContact CE1-CB 3.54Å; Y21-A248 HydrophobicContact CE2-CB 3.27Å; Y21-A248 HydrophobicContact CG-CB 4.17Å; Y21-A248 WeakPolarHBondContact OH-CB 3.41Å
22S31.4Very low30.9Very low105 Ų10593.9 Ų93.973%0.73451%0.51SS*.  trans-98.497.4161.6177.10000106D24S22-D24 PolarHBondContact O-N 3.41Å
23P29.2Very low31.5Very low32 Ų3295.1 Ų95.121%0.20853%0.529CS..  trans-72.4120.4170.6-4.823.6000107.1Y21 K269 Y270Y21-P23 HydrophobicContact CD1-CG 4.44Å; Y21-P23 WeakPolarHBondContact O-CD 3.42Å; P23-K269 VanDerWaalsContact CD-NZ 3.3Å; P23-Y270 WeakPolarHBondContact CG-OH 3.46Å
24D32.8Very low32.6Very low113 Ų11395.4 Ų95.460%0.60454%0.543SS*.  trans51.9103.1158.8-55.9-25.5000115.6S22 S26 K245S22-D24 PolarHBondContact O-N 3.41Å; D24-S26 PolarHBondContact O-N 3.16Å; D24-K245 IonicContact OD2-NZ 3.4Å; D24-K245 PolarHBondContact OD2-NZ 3.11Å
25G27.6Very low33.8Very low81 Ų81103.5 Ų103.584%0.83557%0.568SS**  trans-63.497.9162.600000110.2
26S27.4Very low35.1Very low107 Ų107109.3 Ų109.375%0.74858%0.583SS**  trans-118.456.7154.872.50000109.1D24D24-S26 PolarHBondContact O-N 3.16Å
27Y30.5Very low36.2Very low222 Ų222116.2 Ų116.287%0.87162%0.619SS**  trans-89.397.2154.6-88.1-85.1000106.5S29Y27-S29 PolarHBondContact O-N 3.26Å
28K30.5Very low37.6Very low210 Ų210120.6 Ų120.691%0.91364%0.637SS**  trans-63.690.8153.4-76.9-176175.1-177.70105.9
29S35.9Very low38.8Very low80 Ų80123.3 Ų123.356%0.55966%0.657SS**  trans-81.2115.7165.455.80000107.4Y27 H31Y27-S29 PolarHBondContact O-N 3.26Å; S29-H31 PolarHBondContact O-N 3.22Å
30E39.9Very low40.5Very low191 Ų191126.3 Ų126.389%0.89368%0.675SS**  trans-50.2127.1158-70.5175.3156.700108.3G32E30-G32 PolarHBondContact O-N 2.92Å
31H37.8Very low42.4Very low188 Ų188130.7 Ų130.787%0.8770%0.695SS**  trans-66.798.7-171.5-72.8-71.4000111.6S29S29-H31 PolarHBondContact O-N 3.22Å
32G45.4Very low44.3Very low52 Ų52127.5 Ų127.554%0.53668%0.684SS.*  trans-94.2158.614900000110.7E30 S34E30-G32 PolarHBondContact O-N 2.92Å; G32-S34 PolarHBondContact O-N 3.47Å; G32-S34 PolarHBondContact O-OG 3.23Å
33S40.4Very low46.5Very low117 Ų117125.5 Ų125.582%0.81867%0.67SS**  trans-52.4112.8176-40.60000110.6
34S47.9Very low48.7Very low81 Ų81130.4 Ų130.457%0.56669%0.69SS**  trans-97.4122178.2-540000109.4G32G32-S34 PolarHBondContact O-N 3.47Å; G32-S34 PolarHBondContact O-OG 3.23Å
35Y50.5Low50.8Low219 Ų219128.8 Ų128.886%0.85969%0.687SS**  trans-84120.9168.3-66.5-88.2000108.9
36Y54.3Low53.4Low204 Ų204125.8 Ų125.880%0.865%0.651SS**  trans-88.2106.6170.6-66.8-89.6000108.6I38Y36-I38 PolarHBondContact O-N 3.38Å; Y36-I38 VanDerWaalsContact O-N 3.14Å
37L50.4Low55.9Low167 Ų167121.1 Ų121.187%0.87462%0.618SS**  trans-73100164-101.7147.4000107.7P39L37-P39 WeakPolarHBondContact O-CD 3.16Å
38I56.9Low58.2Low135 Ų135111.5 Ų111.569%0.69258%0.584SS**  trans-71.5115.9168.9-56.4175.7000105.8Y36 E40Y36-I38 PolarHBondContact O-N 3.38Å; Y36-I38 VanDerWaalsContact O-N 3.14Å; I38-E40 PolarHBondContact O-N 3.15Å
39P56.7Low60.4Low90 Ų90108.2 Ų108.258%0.58457%0.569SS**PPolyproline II helixtrans-58141.1176.323.1-30.7000109.2L37 I41L37-P39 WeakPolarHBondContact O-CD 3.16Å; P39-I41 PolarHBondContact O-N 3.24Å
40E63.7Low62.5Low155 Ų155105.3 Ų105.372%0.72455%0.547SS*.PPolyproline II helixtrans-50.6118.2176.1-171-177.6-178.100108.9I38 P42I38-E40 PolarHBondContact O-N 3.15Å; E40-P42 VanDerWaalsContact O-CD 3.25Å; E40-P42 WeakPolarHBondContact O-CD 3.34Å
41I69.6Low64.5Low117 Ų11796.4 Ų96.460%0.651%0.506SS*.PPolyproline II helixtrans-75.1117.1178.8-59.4174.3000106.3P39 S43P39-I41 PolarHBondContact O-N 3.24Å; I41-S43 PolarHBondContact O-N 3.33Å
42P72.7Confident66.8Low11 Ų1188.7 Ų88.77%0.07147%0.471CS..PPolyproline II helixtrans-60.1143.9-179-23.334.8000111.3E40 Y46 V47 R67 R74E40-P42 VanDerWaalsContact O-CD 3.25Å; E40-P42 WeakPolarHBondContact O-CD 3.34Å; P42-Y46 HydrophobicContact CB-CD1 3.78Å; P42-Y46 HydrophobicContact CB-CG 4.24Å; P42-V47 HydrophobicContact CB-CG2 4.45Å; P42-R67 WeakPolarHBondContact CG-O 3.45Å; P42-R74 PolarHBondContact O-NH1 3.22Å; P42-R74 VanDerWaalsContact O-NH1 3.12Å
43S77.1Confident68.6Low63 Ų6388 Ų8844%0.44145%0.454SS..PPolyproline II helixtrans-57.6152.3174.163.90000110.8I41 S45 Y46 V47I41-S43 PolarHBondContact O-N 3.33Å; S43-S45 PolarHBondContact O-N 3.23Å; S43-S45 PolarHBondContact OG-OG 3.27Å; S43-Y46 WeakPolarHBondContact O-CB 3.29Å; S43-Y46 PolarHBondContact O-N 3.49Å; S43-Y46 PolarHBondContact OG-N 3.12Å; S43-V47 PolarHBondContact O-N 2.81Å
44E74.7Confident70.4Confident136 Ų13683.4 Ų83.464%0.63642%0.421SS*.Hα-helixtrans-57.4-38.1175.3-70.4-178.4179.200111.6Y46 V47 S48 R74E44-Y46 VanDerWaalsContact C-N 3.27Å; E44-Y46 PolarHBondContact O-N 2.79Å; E44-V47 PolarHBondContact O-N 3.48Å; E44-V47 VanDerWaalsContact O-N 3.15Å; E44-S48 PolarHBondContact O-N 3.41Å; E44-S48 PolarHBondContact O-OG 2.92Å; E44-R74 VanDerWaalsContact CG-NH1 3.28Å; E44-R74 IonicContact OE1-CZ 3.67Å; E44-R74 IonicContact OE1-NH2 3.72Å; E44-R74 PolarHBondContact OE1-NH2 3Å
45S77.8Confident71.9Confident78 Ų7879.8 Ų79.855%0.54540%0.396SS..Hα-helixtrans-59.5-34.2174.858.40000113.5S43 S48 K49S43-S45 PolarHBondContact O-N 3.23Å; S43-S45 PolarHBondContact OG-OG 3.27Å; S45-S48 PolarHBondContact O-OG 3.15Å; S45-K49 WeakPolarHBondContact O-CB 3.42Å; S45-K49 PolarHBondContact O-N 3.33Å; S45-K49 VanDerWaalsContact O-N 3.16Å
46Y81.3Confident73Confident18 Ų1873.3 Ų73.37%0.07138%0.376CS..Hα-helixtrans-70.9-42.5175.6-179.7-86.8000111P42 S43 E44 N50 I51 D62 R67P42-Y46 HydrophobicContact CB-CD1 3.78Å; P42-Y46 HydrophobicContact CB-CG 4.24Å; S43-Y46 WeakPolarHBondContact O-CB 3.29Å; S43-Y46 PolarHBondContact O-N 3.49Å; S43-Y46 PolarHBondContact OG-N 3.12Å; E44-Y46 VanDerWaalsContact C-N 3.27Å; E44-Y46 PolarHBondContact O-N 2.79Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.36Å; Y46-N50 HydrophobicContact CE1-CB 4.48Å; Y46-N50 HydrophobicContact CE2-CB 4.32Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.3Å; Y46-N50 VanDerWaalsContact O-CB 3.3Å; Y46-N50 WeakPolarHBondContact O-CB 3.3Å; Y46-N50 PolarHBondContact O-N 3.38Å; Y46-N50 PolarHBondContact O-ND2 2.64Å; Y46-I51 HydrophobicContact CD1-CD1 4.28Å; Y46-I51 HydrophobicContact CE1-CD1 4.05Å; Y46-I51 HydrophobicContact CE1-CG1 4.18Å; Y46-D62 PolarHBondContact OH-O 3.4Å; Y46-R67 HydrophobicContact CE1-CB 3.72Å; Y46-R67 HydrophobicContact CE2-CB 4.26Å; Y46-R67 WeakPolarHBondContact OH-CB 3.07Å
47V80.7Confident73.6Confident9 Ų965.7 Ų65.76%0.05535%0.348CS..Iπ-helixtrans-64.9-49.6-179.9178.80000110.7P42 S43 E44 I51 L52 L75P42-V47 HydrophobicContact CB-CG2 4.45Å; S43-V47 PolarHBondContact O-N 2.81Å; E44-V47 PolarHBondContact O-N 3.48Å; E44-V47 VanDerWaalsContact O-N 3.15Å; V47-I51 HydrophobicContact CG1-CB 4.41Å; V47-I51 HydrophobicContact CG1-CD1 4.46Å; V47-I51 HydrophobicContact CG2-CD1 4.28Å; V47-I51 WeakPolarHBondContact O-CA 3.45Å; V47-I51 WeakPolarHBondContact O-CB 3.29Å; V47-I51 PolarHBondContact O-N 2.89Å; V47-L52 HydrophobicContact CG1-CD1 4.31Å; V47-L52 HydrophobicContact CG1-CG 4.28Å; V47-L52 PolarHBondContact O-N 3.07Å; V47-L52 VanDerWaalsContact O-N 3.12Å; V47-L75 HydrophobicContact CG1-CD1 3.89Å; V47-L75 HydrophobicContact CG1-CD2 3.8Å; V47-L75 HydrophobicContact CG1-CG 3.89Å
48S77.7Confident74.4Confident21 Ų2162.4 Ų62.415%0.14734%0.339CS..Iπ-helixtrans-60.8-53179.659.70000111.4E44 S45 E53E44-S48 PolarHBondContact O-N 3.41Å; E44-S48 PolarHBondContact O-OG 2.92Å; S45-S48 PolarHBondContact O-OG 3.15Å; S48-E53 WeakPolarHBondContact O-CG 3.29Å; S48-E53 PolarHBondContact O-N 3.12Å
49K77Confident75Confident140 Ų14057.2 Ų57.261%0.60931%0.313SS*.Iπ-helixtrans-70.8-38.9-173.1-170.9179.3178-175.70114.1S45S45-K49 WeakPolarHBondContact O-CB 3.42Å; S45-K49 PolarHBondContact O-N 3.33Å; S45-K49 VanDerWaalsContact O-N 3.16Å
50N79.6Confident75.9Confident19 Ų1953.1 Ų53.110%0.10229%0.286CS..Iπ-helixtrans-108.5-28.6-168.7-56.3-52.3000113.4Y46 L63Y46-N50 WeakPolarHBondContact CD2-ND2 3.36Å; Y46-N50 HydrophobicContact CE1-CB 4.48Å; Y46-N50 HydrophobicContact CE2-CB 4.32Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.3Å; Y46-N50 VanDerWaalsContact O-CB 3.3Å; Y46-N50 WeakPolarHBondContact O-CB 3.3Å; Y46-N50 PolarHBondContact O-N 3.38Å; Y46-N50 PolarHBondContact O-ND2 2.64Å; N50-L63 HydrophobicContact CB-CD2 3.79Å; N50-L63 WeakPolarHBondContact O-CD2 3.11Å
51I83.6Confident76.5Confident5 Ų552.1 Ų52.13%0.02629%0.286CS..Iπ-helixtrans-99-37.5-175.1-58.5179.4000111.8Y46 V47 V72 L75 A116 N119Y46-I51 HydrophobicContact CD1-CD1 4.28Å; Y46-I51 HydrophobicContact CE1-CD1 4.05Å; Y46-I51 HydrophobicContact CE1-CG1 4.18Å; V47-I51 HydrophobicContact CG1-CB 4.41Å; V47-I51 HydrophobicContact CG1-CD1 4.46Å; V47-I51 HydrophobicContact CG2-CD1 4.28Å; V47-I51 WeakPolarHBondContact O-CA 3.45Å; V47-I51 WeakPolarHBondContact O-CB 3.29Å; V47-I51 PolarHBondContact O-N 2.89Å; I51-V72 HydrophobicContact CD1-CG2 4.37Å; I51-V72 HydrophobicContact CG2-CG2 3.88Å; I51-L75 HydrophobicContact CG2-CD1 4.19Å; I51-A116 HydrophobicContact CG2-CB 3.53Å; I51-N119 PolarHBondContact O-ND2 2.93Å
52L86Confident77Confident26 Ų2651.1 Ų51.114%0.13628%0.282CS..Iπ-helixtrans-95.7-36.5-172.3-62.8-177.8000114.2V47 L75 P112 Q115 A116 N119V47-L52 HydrophobicContact CG1-CD1 4.31Å; V47-L52 HydrophobicContact CG1-CG 4.28Å; V47-L52 PolarHBondContact O-N 3.07Å; V47-L52 VanDerWaalsContact O-N 3.12Å; L52-L75 HydrophobicContact CD2-CD1 3.78Å; L52-P112 HydrophobicContact CD1-CB 4.29Å; L52-P112 HydrophobicContact CD2-CB 4.17Å; L52-P112 WeakPolarHBondContact CD2-O 3.47Å; L52-Q115 VanDerWaalsContact O-CG 3.32Å; L52-Q115 WeakPolarHBondContact O-CG 3.25Å; L52-A116 HydrophobicContact CD2-CB 4.26Å; L52-N119 PolarHBondContact O-ND2 3.17Å
53E82.1Confident77.5Confident36 Ų3651.2 Ų51.217%0.16828%0.281CS..SBendtrans-61.9152.7176.1-71.2-74163.300111.5S48 L55 N119 S571 S573S48-E53 WeakPolarHBondContact O-CG 3.29Å; S48-E53 PolarHBondContact O-N 3.12Å; E53-L55 PolarHBondContact O-N 3.01Å; E53-N119 PolarHBondContact O-ND2 2.9Å; E53-S571 WeakPolarHBondContact OE1-CB 3.13Å; E53-S573 PolarHBondContact OE2-OG 3.44Å
54P78.9Confident78Confident22 Ų2253.4 Ų53.414%0.14328%0.283CS..PPolyproline II helixtrans-52.6129.1174.7-21.629.7000111.4N56 V558 F559P54-N56 PolarHBondContact O-N 2.73Å; P54-V558 HydrophobicContact CB-CG1 3.91Å; P54-F559 HydrophobicContact CB-CB 4.11Å; P54-F559 HydrophobicContact CB-CD2 4.47Å; P54-F559 HydrophobicContact CG-CB 3.88Å; P54-F559 HydrophobicContact CG-CD2 3.67Å; P54-F559 HydrophobicContact CG-CE2 4.34Å; P54-F559 HydrophobicContact CG-CG 3.79Å
55L79.7Confident78.6Confident5 Ų548.3 Ų48.33%0.02626%0.262CS..PPolyproline II helixtrans-62.3125.5174.4-70.3-179.5000111E53 L63 N119 C122 L123 V558 Y582E53-L55 PolarHBondContact O-N 3.01Å; L55-L63 HydrophobicContact CD2-CD1 3.59Å; L55-N119 HydrophobicContact CD1-CB 3.95Å; L55-N119 WeakPolarHBondContact CD1-O 3.19Å; L55-N119 HydrophobicContact CG-CB 3.92Å; L55-C122 HydrophobicContact CD1-CB 4.3Å; L55-L123 HydrophobicContact CD1-CB 3.97Å; L55-V558 HydrophobicContact CB-CG1 4.08Å; L55-Y582 PolarHBondContact O-OH 3.45Å
56N71.8Confident79Confident82 Ų8249.6 Ų49.644%0.43926%0.263SS..  trans-112.3141.3170.7-169.6-27.6000108P54 S58 N59P54-N56 PolarHBondContact O-N 2.73Å; N56-S58 PolarHBondContact O-N 3.44Å; N56-S58 PolarHBondContact OD1-N 3.33Å; N56-S58 PolarHBondContact OD1-OG 2.87Å; N56-N59 PolarHBondContact N-OD1 3.3Å; N56-N59 PolarHBondContact O-N 3.48Å; N56-N59 PolarHBondContact O-OD1 3.07Å
57I68.5Low79.3Confident44 Ų4453.4 Ų53.423%0.22628%0.277CS..G310 helixtrans-53.7-28.5178.2-66165.8000111.8N59 L60 K519 Y582I57-N59 VanDerWaalsContact C-N 3.35Å; I57-N59 PolarHBondContact O-N 3.39Å; I57-L60 HydrophobicContact CB-CD1 4.41Å; I57-L60 HydrophobicContact CG1-CD1 4.41Å; I57-L60 HydrophobicContact CG2-CD1 4.35Å; I57-K519 HydrophobicContact CD1-CD 4.13Å; I57-K519 VanDerWaalsContact CD1-NZ 3.33Å; I57-Y582 HydrophobicContact CD1-CE1 3.97Å; I57-Y582 HydrophobicContact CG1-CE1 4.35Å
58S67.2Low79.7Confident98 Ų9853.2 Ų53.269%0.68528%0.276SS*.G310 helixtrans-67.9-22.4175.456.70000115.6N56N56-S58 PolarHBondContact O-N 3.44Å; N56-S58 PolarHBondContact OD1-N 3.33Å; N56-S58 PolarHBondContact OD1-OG 2.87Å
59N68.5Low80.3Confident26 Ų2654.8 Ų54.814%0.13928%0.28CS..G310 helixtrans-104.12.6-176.874.18.4000114N56 I57 D61 D62N56-N59 PolarHBondContact N-OD1 3.3Å; N56-N59 PolarHBondContact O-N 3.48Å; N56-N59 PolarHBondContact O-OD1 3.07Å; I57-N59 VanDerWaalsContact C-N 3.35Å; I57-N59 PolarHBondContact O-N 3.39Å; N59-D61 VanDerWaalsContact C-N 3.31Å; N59-D61 PolarHBondContact O-N 3.19Å; N59-D62 PolarHBondContact O-N 3.1Å
60L76.5Confident81Confident5 Ų548.7 Ų48.73%0.02626%0.257CS..G310 helixtrans-66.7-31.6-172.5-62.7175.5000113I57 D62 L63 L123 L126 K127I57-L60 HydrophobicContact CB-CD1 4.41Å; I57-L60 HydrophobicContact CG1-CD1 4.41Å; I57-L60 HydrophobicContact CG2-CD1 4.35Å; L60-D62 VanDerWaalsContact C-N 3.3Å; L60-L63 PolarHBondContact O-N 2.91Å; L60-L123 HydrophobicContact CD2-CD1 3.87Å; L60-L126 HydrophobicContact CD1-CB 4.08Å; L60-L126 HydrophobicContact CD1-CD1 4.26Å; L60-L126 HydrophobicContact CD2-CD1 4Å; L60-K127 HydrophobicContact CB-CD 4.27Å; L60-K127 PolarHBondContact O-NZ 3.45Å
61D76.3Confident81.6Confident133 Ų13347.8 Ų47.871%0.71125%0.252SS*.G310 helixtrans-75.7-18.2-177.3-69.7-25000113.6N59 L63 K127N59-D61 VanDerWaalsContact C-N 3.31Å; N59-D61 PolarHBondContact O-N 3.19Å; D61-L63 PolarHBondContact O-N 2.85Å; D61-K127 WeakPolarHBondContact OD1-CE 3.43Å; D61-K127 IonicContact OD1-NZ 3.82Å; D61-K127 PolarHBondContact OD1-NZ 3.07Å
62D78.7Confident81.9Confident97 Ų9747.5 Ų47.552%0.51925%0.251SS..G310 helixtrans-74.6-16.9173.8-65.8-33.7000112.6Y46 N59 L60 K64Y46-D62 PolarHBondContact OH-O 3.4Å; N59-D62 PolarHBondContact O-N 3.1Å; L60-D62 VanDerWaalsContact C-N 3.3Å; D62-K64 PolarHBondContact O-N 3.2Å
63L84.4Confident82.2Confident12 Ų1246.9 Ų46.96%0.06325%0.249CC..  trans-83.8102.3-178-61.9173.1000111.8N50 L55 L60 D61 V68 L123 W132N50-L63 HydrophobicContact CB-CD2 3.79Å; N50-L63 WeakPolarHBondContact O-CD2 3.11Å; L55-L63 HydrophobicContact CD2-CD1 3.59Å; L60-L63 PolarHBondContact O-N 2.91Å; D61-L63 PolarHBondContact O-N 2.85Å; L63-V68 HydrophobicContact CB-CG2 4.25Å; L63-V68 HydrophobicContact CD2-CG2 3.96Å; L63-L123 HydrophobicContact CD1-CD1 3.93Å; L63-L123 HydrophobicContact CD1-CD2 4.08Å; L63-W132 HydrophobicContact CB-CH2 4.34Å; L63-W132 HydrophobicContact CB-CZ2 4.44Å
64K86.7Confident82.7Confident109 Ų10948.1 Ų48.147%0.47425%0.252SS..  trans-94.8133.8173.3-56.9-171.9177.4-177.20111.7D62 D66 R67 V68D62-K64 PolarHBondContact O-N 3.2Å; K64-D66 VanDerWaalsContact C-N 3.31Å; K64-D66 WeakPolarHBondContact CB-OD1 3.45Å; K64-D66 PolarHBondContact O-N 3.08Å; K64-R67 HydrophobicContact CB-CB 4.39Å; K64-R67 HydrophobicContact CB-CG 4.36Å; K64-R67 PolarHBondContact O-N 3.18Å; K64-R67 VanDerWaalsContact O-N 3.16Å; K64-V68 WeakPolarHBondContact O-CG2 3.49Å; K64-V68 PolarHBondContact O-N 3.33Å
65P87.4Confident83.4Confident30 Ų3047.8 Ų47.820%0.19525%0.249CC..Hα-helixtrans-52.9-40.7-176.2-31.636.6000115.5F69 T131 W132 I135P65-F69 VanDerWaalsContact O-CB 3.27Å; P65-F69 WeakPolarHBondContact O-CB 3.38Å; P65-F69 PolarHBondContact O-N 3.31Å; P65-T131 HydrophobicContact CB-CG2 3.68Å; P65-T131 HydrophobicContact CG-CG2 3.84Å; P65-W132 HydrophobicContact CB-CH2 4.36Å; P65-W132 HydrophobicContact CG-CH2 4.13Å; P65-W132 HydrophobicContact CG-CZ2 3.81Å; P65-I135 HydrophobicContact CB-CD1 3.99Å
66D86.6Confident83.9Confident105 Ų10547.9 Ų47.956%0.56125%0.249SC*.Hα-helixtrans-64.8-48.7177.459.2-46.2000111.9K64 F69 G70K64-D66 VanDerWaalsContact C-N 3.31Å; K64-D66 WeakPolarHBondContact CB-OD1 3.45Å; K64-D66 PolarHBondContact O-N 3.08Å; D66-F69 PolarHBondContact O-N 3.23Å; D66-G70 PolarHBondContact O-N 2.87Å
67R88.2Confident84.9Confident98 Ų9849.4 Ų49.437%0.3726%0.255SS..Hα-helixtrans-65.7-41177.7-67.4-172.3171.7-171.9-6.3111.8P42 Y46 K64 G70 G71P42-R67 WeakPolarHBondContact CG-O 3.45Å; Y46-R67 HydrophobicContact CE1-CB 3.72Å; Y46-R67 HydrophobicContact CE2-CB 4.26Å; Y46-R67 WeakPolarHBondContact OH-CB 3.07Å; K64-R67 HydrophobicContact CB-CB 4.39Å; K64-R67 HydrophobicContact CB-CG 4.36Å; K64-R67 PolarHBondContact O-N 3.18Å; K64-R67 VanDerWaalsContact O-N 3.16Å; R67-G70 PolarHBondContact O-N 3.06Å; R67-G71 PolarHBondContact O-N 3.22Å
68V89.1Confident86.1Confident4 Ų451 Ų512%0.02426%0.264CS..Hα-helixtrans-66.4-41.3176176.70000110.9L63 K64 G70 G71 V72 L120 W132L63-V68 HydrophobicContact CB-CG2 4.25Å; L63-V68 HydrophobicContact CD2-CG2 3.96Å; K64-V68 WeakPolarHBondContact O-CG2 3.49Å; K64-V68 PolarHBondContact O-N 3.33Å; V68-G70 PolarHBondContact O-N 2.74Å; V68-G71 PolarHBondContact O-N 2.89Å; V68-V72 HydrophobicContact CG1-CG2 4.1Å; V68-V72 WeakPolarHBondContact O-CB 3.39Å; V68-V72 WeakPolarHBondContact O-CG2 3.39Å; V68-V72 PolarHBondContact O-N 2.97Å; V68-L120 HydrophobicContact CG1-CD2 3.52Å; V68-L120 HydrophobicContact CG1-CG 4.42Å; V68-W132 HydrophobicContact CB-CH2 3.99Å; V68-W132 HydrophobicContact CB-CZ3 3.84Å; V68-W132 HydrophobicContact CG1-CH2 4.42Å; V68-W132 HydrophobicContact CG1-CZ3 3.88Å; V68-W132 HydrophobicContact CG2-CH2 3.79Å; V68-W132 HydrophobicContact CG2-CZ3 4.1Å
69F90.6Very high87.4Confident54 Ų5446.4 Ų46.424%0.23723%0.232CC..Hα-helixtrans-60.1-44.8175.1-176.4-88.4000112.4P65 D66 S73 I135 R138 L139P65-F69 VanDerWaalsContact O-CB 3.27Å; P65-F69 WeakPolarHBondContact O-CB 3.38Å; P65-F69 PolarHBondContact O-N 3.31Å; D66-F69 PolarHBondContact O-N 3.23Å; F69-S73 VanDerWaalsContact O-CB 3.22Å; F69-S73 WeakPolarHBondContact O-CB 3.14Å; F69-S73 PolarHBondContact O-N 2.86Å; F69-S73 PolarHBondContact O-OG 3.27Å; F69-I135 HydrophobicContact CD2-CB 4.15Å; F69-R138 HydrophobicContact CE2-CB 4.48Å; F69-L139 HydrophobicContact CD2-CD1 4.06Å; F69-L139 HydrophobicContact CD2-CD2 3.61Å; F69-L139 HydrophobicContact CD2-CG 3.72Å; F69-L139 HydrophobicContact CE2-CD2 3.77Å; F69-L139 HydrophobicContact CE2-CG 3.98Å; F69-L139 HydrophobicContact CG-CD2 4.19Å; F69-L139 HydrophobicContact CZ-CD2 4.45Å
70G90.3Very high88.7Confident12 Ų1247.4 Ų47.412%0.12424%0.235CC..Hα-helixtrans-61.6-45.9174.900000112.2D66 R67 V68 S73 R74D66-G70 PolarHBondContact O-N 2.87Å; R67-G70 PolarHBondContact O-N 3.06Å; V68-G70 PolarHBondContact O-N 2.74Å; G70-S73 PolarHBondContact O-N 3.45Å; G70-R74 PolarHBondContact O-N 2.87Å
71G92.2Very high89.6Confident0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-67.3-44.3-176.700000112.8R67 V68 R74 L75R67-G71 PolarHBondContact O-N 3.22Å; V68-G71 PolarHBondContact O-N 2.89Å; G71-R74 WeakPolarHBondContact O-CB 3.26Å; G71-R74 PolarHBondContact O-N 3.38Å; G71-L75 WeakPolarHBondContact O-CG 3.15Å; G71-L75 PolarHBondContact O-N 2.81Å
72V91Very high90.6Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-70.2-36.4176179.30000111.5I51 V68 R74 L75 I76 A116 F117 L120 L139I51-V72 HydrophobicContact CD1-CG2 4.37Å; I51-V72 HydrophobicContact CG2-CG2 3.88Å; V68-V72 HydrophobicContact CG1-CG2 4.1Å; V68-V72 WeakPolarHBondContact O-CB 3.39Å; V68-V72 WeakPolarHBondContact O-CG2 3.39Å; V68-V72 PolarHBondContact O-N 2.97Å; V72-R74 VanDerWaalsContact C-N 3.27Å; V72-R74 PolarHBondContact O-N 3.34Å; V72-L75 PolarHBondContact O-N 3.28Å; V72-I76 HydrophobicContact CG1-CD1 4.3Å; V72-I76 WeakPolarHBondContact O-CG1 3.12Å; V72-I76 PolarHBondContact O-N 2.97Å; V72-A116 HydrophobicContact CG2-CB 4.06Å; V72-F117 HydrophobicContact CG1-CE2 4.22Å; V72-F117 HydrophobicContact CG1-CZ 4.13Å; V72-L120 HydrophobicContact CG1-CD1 4.4Å; V72-L120 HydrophobicContact CG2-CD1 4.04Å; V72-L139 HydrophobicContact CB-CD1 4.06Å; V72-L139 HydrophobicContact CB-CD2 4.13Å; V72-L139 HydrophobicContact CG1-CB 4.38Å; V72-L139 HydrophobicContact CG1-CD1 4.13Å; V72-L139 HydrophobicContact CG1-CD2 4.09Å; V72-L139 HydrophobicContact CG1-CG 4.43Å
73S92.4Very high91.4Very high13 Ų1342.4 Ų42.49%0.09122%0.215CC..Hα-helixtrans-60.2-39.4172.8-64.60000111.6F69 G70 I76 M77F69-S73 VanDerWaalsContact O-CB 3.22Å; F69-S73 WeakPolarHBondContact O-CB 3.14Å; F69-S73 PolarHBondContact O-N 2.86Å; F69-S73 PolarHBondContact O-OG 3.27Å; G70-S73 PolarHBondContact O-N 3.45Å; S73-I76 PolarHBondContact O-N 3.36Å; S73-M77 WeakPolarHBondContact O-CG 3.48Å; S73-M77 PolarHBondContact O-N 3.46Å; S73-M77 VanDerWaalsContact O-N 3.09Å
74R91.8Very high91.9Very high61 Ų6144 Ų4423%0.2323%0.228CC..Hα-helixtrans-63.2-43.4173.8-176.6-180-179.9-175.3-4.4112.1P42 E44 G70 G71 V72 I76 M77 N78P42-R74 PolarHBondContact O-NH1 3.22Å; P42-R74 VanDerWaalsContact O-NH1 3.12Å; E44-R74 VanDerWaalsContact CG-NH1 3.28Å; E44-R74 IonicContact OE1-CZ 3.67Å; E44-R74 IonicContact OE1-NH2 3.72Å; E44-R74 PolarHBondContact OE1-NH2 3Å; G70-R74 PolarHBondContact O-N 2.87Å; G71-R74 WeakPolarHBondContact O-CB 3.26Å; G71-R74 PolarHBondContact O-N 3.38Å; V72-R74 VanDerWaalsContact C-N 3.27Å; V72-R74 PolarHBondContact O-N 3.34Å; R74-I76 VanDerWaalsContact C-N 3.31Å; R74-I76 PolarHBondContact O-N 3.29Å; R74-M77 PolarHBondContact O-N 3.27Å; R74-N78 PolarHBondContact O-N 3.21Å
75L93.1Very high92.3Very high16 Ų1645 Ų458%0.08423%0.232CC..Hα-helixtrans-60.1-40.3175.4-69.2173.9000112.3V47 I51 L52 G71 V72 N78 Y79 P112 V113 A116V47-L75 HydrophobicContact CG1-CD1 3.89Å; V47-L75 HydrophobicContact CG1-CD2 3.8Å; V47-L75 HydrophobicContact CG1-CG 3.89Å; I51-L75 HydrophobicContact CG2-CD1 4.19Å; L52-L75 HydrophobicContact CD2-CD1 3.78Å; G71-L75 WeakPolarHBondContact O-CG 3.15Å; G71-L75 PolarHBondContact O-N 2.81Å; V72-L75 PolarHBondContact O-N 3.28Å; L75-N78 PolarHBondContact O-N 3.4Å; L75-Y79 WeakPolarHBondContact O-CB 3.5Å; L75-Y79 PolarHBondContact O-N 3.21Å; L75-P112 HydrophobicContact CD2-CB 3.96Å; L75-V113 HydrophobicContact CB-CB 4.3Å; L75-A116 HydrophobicContact CD1-CB 3.65Å
76I91.2Very high92.7Very high7 Ų744 Ų444%0.03623%0.225CC..Hα-helixtrans-63-41.4175.2-65.5165000111V72 S73 R74 Y79 Q80 V113 F117 K142 F143 A146V72-I76 HydrophobicContact CG1-CD1 4.3Å; V72-I76 WeakPolarHBondContact O-CG1 3.12Å; V72-I76 PolarHBondContact O-N 2.97Å; S73-I76 PolarHBondContact O-N 3.36Å; R74-I76 VanDerWaalsContact C-N 3.31Å; R74-I76 PolarHBondContact O-N 3.29Å; I76-Y79 WeakPolarHBondContact O-CB 3.32Å; I76-Y79 PolarHBondContact O-N 3.49Å; I76-Q80 WeakPolarHBondContact O-CG 3.34Å; I76-Q80 PolarHBondContact O-N 3.46Å; I76-V113 HydrophobicContact CG1-CG2 3.76Å; I76-F117 HydrophobicContact CD1-CE2 4.48Å; I76-F117 HydrophobicContact CD1-CZ 4.37Å; I76-K142 HydrophobicContact CD1-CB 4.01Å; I76-F143 HydrophobicContact CD1-CB 3.98Å; I76-F143 HydrophobicContact CG1-CB 4.12Å; I76-F143 HydrophobicContact CG1-CD2 4.42Å; I76-A146 HydrophobicContact CG2-CB 3.84Å
77M93Very high93.1Very high113 Ų11339.2 Ų39.256%0.55720%0.2SC*.Hα-helixtrans-64.6-42.8175.5-68.5173.9-177.100111.8S73 R74 Y79 Q80 V81S73-M77 WeakPolarHBondContact O-CG 3.48Å; S73-M77 PolarHBondContact O-N 3.46Å; S73-M77 VanDerWaalsContact O-N 3.09Å; R74-M77 PolarHBondContact O-N 3.27Å; M77-Y79 VanDerWaalsContact C-N 3.31Å; M77-Y79 PolarHBondContact O-N 3.39Å; M77-Q80 WeakPolarHBondContact O-CB 3.42Å; M77-Q80 PolarHBondContact O-N 3.08Å; M77-V81 WeakPolarHBondContact O-CG2 3.31Å; M77-V81 PolarHBondContact O-N 3.31Å
78N93.4Very high93.4Very high78 Ų7837.7 Ų37.742%0.41720%0.199SC..Hα-helixtrans-61.4-40.4176.1-71.7-4.3000111.8R74 L75 V81 S82R74-N78 PolarHBondContact O-N 3.21Å; L75-N78 PolarHBondContact O-N 3.4Å; N78-V81 PolarHBondContact O-N 3.06Å; N78-S82 WeakPolarHBondContact O-CB 3.3Å; N78-S82 PolarHBondContact O-N 3.36Å; N78-S82 PolarHBondContact O-OG 3.45Å
79Y93.9Very high93.6Very high2 Ų240.2 Ų40.21%0.00821%0.212CC..Hα-helixtrans-57.7-50.3172.9170.4-94.2000111.3L75 I76 M77 V81 S82 L83 A109 V113 F143 A146 R147L75-Y79 WeakPolarHBondContact O-CB 3.5Å; L75-Y79 PolarHBondContact O-N 3.21Å; I76-Y79 WeakPolarHBondContact O-CB 3.32Å; I76-Y79 PolarHBondContact O-N 3.49Å; M77-Y79 VanDerWaalsContact C-N 3.31Å; M77-Y79 PolarHBondContact O-N 3.39Å; Y79-V81 PolarHBondContact O-N 3.19Å; Y79-S82 PolarHBondContact O-N 3.28Å; Y79-L83 HydrophobicContact CD1-CD1 3.94Å; Y79-L83 HydrophobicContact CD2-CD1 4.32Å; Y79-L83 HydrophobicContact CE1-CD1 3.35Å; Y79-L83 HydrophobicContact CE1-CG 4.48Å; Y79-L83 HydrophobicContact CE2-CD1 3.8Å; Y79-L83 HydrophobicContact CE2-CG 4.4Å; Y79-L83 HydrophobicContact CG-CD1 4.39Å; Y79-L83 WeakPolarHBondContact O-CG 3.3Å; Y79-L83 PolarHBondContact O-N 2.9Å; Y79-L83 WeakPolarHBondContact OH-CD1 3.35Å; Y79-A109 HydrophobicContact CD2-CB 4.28Å; Y79-A109 WeakPolarHBondContact CD2-O 3.15Å; Y79-V113 HydrophobicContact CD2-CG1 3.93Å; Y79-V113 HydrophobicContact CG-CG1 4.19Å; Y79-F143 HydrophobicContact CD1-CE2 4.28Å; Y79-F143 HydrophobicContact CD2-CE2 4.41Å; Y79-F143 HydrophobicContact CE1-CE2 4.16Å; Y79-F143 HydrophobicContact CE2-CE2 4.28Å; Y79-F143 HydrophobicContact CG-CE2 4.4Å; Y79-A146 HydrophobicContact CD1-CB 4.27Å; Y79-A146 HydrophobicContact CE1-CB 4.36Å; Y79-R147 HydrophobicContact CE1-CB 4.22Å; Y79-R147 WeakPolarHBondContact OH-CG 3.43Å; Y79-R147 PolarHBondContact OH-NE 2.9Å
80Q96Very high93.7Very high46 Ų4638 Ų3822%0.21520%0.203CC..Hα-helixtrans-57.3-49.7177.3-69.2170.1-27.300112I76 M77 S82 L83 S84 A146 Y150I76-Q80 WeakPolarHBondContact O-CG 3.34Å; I76-Q80 PolarHBondContact O-N 3.46Å; M77-Q80 WeakPolarHBondContact O-CB 3.42Å; M77-Q80 PolarHBondContact O-N 3.08Å; Q80-S82 VanDerWaalsContact C-N 3.32Å; Q80-S82 PolarHBondContact O-N 2.88Å; Q80-L83 PolarHBondContact O-N 2.98Å; Q80-S84 PolarHBondContact O-N 2.67Å; Q80-S84 PolarHBondContact O-OG 2.98Å; Q80-A146 HydrophobicContact CG-CB 3.78Å; Q80-Y150 HydrophobicContact CB-CD1 3.94Å; Q80-Y150 HydrophobicContact CB-CD2 4.33Å; Q80-Y150 HydrophobicContact CB-CE1 3.94Å; Q80-Y150 HydrophobicContact CB-CE2 4.36Å; Q80-Y150 HydrophobicContact CB-CG 4.14Å; Q80-Y150 HydrophobicContact CG-CD1 4.31Å; Q80-Y150 HydrophobicContact CG-CD2 3.8Å; Q80-Y150 HydrophobicContact CG-CE1 4.35Å; Q80-Y150 HydrophobicContact CG-CE2 3.86Å; Q80-Y150 HydrophobicContact CG-CG 4.05Å
81V95.6Very high93.7Very high76 Ų7642.9 Ų42.946%0.46122%0.222SC..Hα-helixtrans-61.7-40.6179.81720000111.5M77 N78 Y79 S84 K85M77-V81 WeakPolarHBondContact O-CG2 3.31Å; M77-V81 PolarHBondContact O-N 3.31Å; N78-V81 PolarHBondContact O-N 3.06Å; Y79-V81 PolarHBondContact O-N 3.19Å; V81-S84 PolarHBondContact O-N 3.02Å; V81-K85 HydrophobicContact CG1-CD 4.23Å; V81-K85 WeakPolarHBondContact O-CG 3.04Å; V81-K85 PolarHBondContact O-N 3.12Å
82S96Very high93.7Very high53 Ų5350.9 Ų50.937%0.37125%0.252SS..Hα-helixtrans-64.9-41.6179.9-57.30000111.6N78 Y79 Q80 K85 L86N78-S82 WeakPolarHBondContact O-CB 3.3Å; N78-S82 PolarHBondContact O-N 3.36Å; N78-S82 PolarHBondContact O-OG 3.45Å; Y79-S82 PolarHBondContact O-N 3.28Å; Q80-S82 VanDerWaalsContact C-N 3.32Å; Q80-S82 PolarHBondContact O-N 2.88Å; S82-K85 PolarHBondContact O-N 3.39Å; S82-L86 WeakPolarHBondContact O-CB 3.33Å; S82-L86 PolarHBondContact O-N 3.43Å
83L96.1Very high93.5Very high1 Ų153.6 Ų53.61%0.00528%0.28CS..Hα-helixtrans-69.2-41.1176.7-67.4178.4000113Y79 Q80 K85 L86 S87 L106 A109 F151 I157Y79-L83 HydrophobicContact CD1-CD1 3.94Å; Y79-L83 HydrophobicContact CD2-CD1 4.32Å; Y79-L83 HydrophobicContact CE1-CD1 3.35Å; Y79-L83 HydrophobicContact CE1-CG 4.48Å; Y79-L83 HydrophobicContact CE2-CD1 3.8Å; Y79-L83 HydrophobicContact CE2-CG 4.4Å; Y79-L83 HydrophobicContact CG-CD1 4.39Å; Y79-L83 WeakPolarHBondContact O-CG 3.3Å; Y79-L83 PolarHBondContact O-N 2.9Å; Y79-L83 WeakPolarHBondContact OH-CD1 3.35Å; Q80-L83 PolarHBondContact O-N 2.98Å; L83-K85 VanDerWaalsContact C-N 3.32Å; L83-K85 PolarHBondContact O-N 2.93Å; L83-L86 PolarHBondContact O-N 2.72Å; L83-S87 WeakPolarHBondContact O-CB 3.48Å; L83-S87 PolarHBondContact O-N 3.27Å; L83-L106 HydrophobicContact CD2-CD2 3.52Å; L83-A109 HydrophobicContact CD2-CB 4.3Å; L83-F151 HydrophobicContact CD1-CB 3.71Å; L83-I157 HydrophobicContact CD2-CD1 4.47Å
84S95.6Very high93.4Very high46 Ų4658.9 Ų58.932%0.32230%0.304SS..Hα-helixtrans-59.7-43.9173.8-66.90000111.6Q80 V81 S87 D88 Y150Q80-S84 PolarHBondContact O-N 2.67Å; Q80-S84 PolarHBondContact O-OG 2.98Å; V81-S84 PolarHBondContact O-N 3.02Å; S84-S87 PolarHBondContact O-N 3.41Å; S84-D88 WeakPolarHBondContact O-CB 3.45Å; S84-D88 PolarHBondContact O-N 3.25Å; S84-Y150 WeakPolarHBondContact OG-CD1 3.39Å
85K95.8Very high93.3Very high129 Ų12957.3 Ų57.356%0.56130%0.3SS*.Hα-helixtrans-61.9-44175.1-74.2176.3179-178.20112.1V81 S82 L83 D88 N89V81-K85 HydrophobicContact CG1-CD 4.23Å; V81-K85 WeakPolarHBondContact O-CG 3.04Å; V81-K85 PolarHBondContact O-N 3.12Å; S82-K85 PolarHBondContact O-N 3.39Å; L83-K85 VanDerWaalsContact C-N 3.32Å; L83-K85 PolarHBondContact O-N 2.93Å; K85-D88 PolarHBondContact O-N 3.46Å; K85-N89 WeakPolarHBondContact O-CB 3.3Å; K85-N89 PolarHBondContact O-N 3.45Å; K85-N89 PolarHBondContact O-OD1 3.32Å
86L95.5Very high93.2Very high11 Ų1159.6 Ų59.66%0.05832%0.317CS..Hα-helixtrans-60.5-46.4177.5179.362.3000111.2S82 L83 N89 I90 L95 L106S82-L86 WeakPolarHBondContact O-CB 3.33Å; S82-L86 PolarHBondContact O-N 3.43Å; L83-L86 PolarHBondContact O-N 2.72Å; L86-N89 PolarHBondContact O-N 2.93Å; L86-I90 HydrophobicContact CD1-CD1 4.16Å; L86-I90 HydrophobicContact CG-CD1 4.06Å; L86-I90 VanDerWaalsContact O-CG1 3.3Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.06Å; L86-L95 HydrophobicContact CD1-CD2 3.63Å; L86-L106 HydrophobicContact CD2-CD2 3.51Å; L86-L106 HydrophobicContact CD2-CG 3.71Å
87S94.6Very high93.1Very high3 Ų362.4 Ų62.42%0.02133%0.329CS..Hα-helixtrans-60.4-48.1176.3-1730000111.9L83 S84 N89 I90 Q91 D154L83-S87 WeakPolarHBondContact O-CB 3.48Å; L83-S87 PolarHBondContact O-N 3.27Å; S84-S87 PolarHBondContact O-N 3.41Å; S87-N89 VanDerWaalsContact C-N 3.33Å; S87-N89 PolarHBondContact O-N 3.02Å; S87-I90 PolarHBondContact O-N 3.38Å; S87-Q91 WeakPolarHBondContact O-CB 3.46Å; S87-Q91 VanDerWaalsContact O-CG 3.3Å; S87-Q91 WeakPolarHBondContact O-CG 3.35Å; S87-Q91 PolarHBondContact O-N 3.39Å; S87-Q91 PolarHBondContact OG-NE2 3.45Å; S87-D154 WeakPolarHBondContact CB-OD2 3.41Å; S87-D154 VanDerWaalsContact OG-CG 3.22Å; S87-D154 PolarHBondContact OG-OD1 2.97Å; S87-D154 PolarHBondContact OG-OD2 3.26Å
88D94.1Very high92.9Very high67 Ų6760.8 Ų60.836%0.35833%0.329SS..Hα-helixtrans-58.2-43.8177.5-79.9-3.4000112S84 K85 I90 Q91 R92S84-D88 WeakPolarHBondContact O-CB 3.45Å; S84-D88 PolarHBondContact O-N 3.25Å; K85-D88 PolarHBondContact O-N 3.46Å; D88-I90 PolarHBondContact O-N 2.95Å; D88-Q91 PolarHBondContact O-N 2.91Å; D88-R92 WeakPolarHBondContact O-CB 3.49Å; D88-R92 VanDerWaalsContact O-CG 3.3Å; D88-R92 WeakPolarHBondContact O-CG 3.41Å; D88-R92 PolarHBondContact O-N 3.38Å
89N94Very high92.7Very high57 Ų5759.6 Ų59.631%0.30532%0.323SS..Hα-helixtrans-64.6-39.5178.9-68.5-1.8000111.8K85 L86 S87 G93 E94 L95K85-N89 WeakPolarHBondContact O-CB 3.3Å; K85-N89 PolarHBondContact O-N 3.45Å; K85-N89 PolarHBondContact O-OD1 3.32Å; L86-N89 PolarHBondContact O-N 2.93Å; S87-N89 VanDerWaalsContact C-N 3.33Å; S87-N89 PolarHBondContact O-N 3.02Å; N89-G93 PolarHBondContact O-N 2.9Å; N89-E94 HydrophobicContact CB-CB 4.38Å; N89-E94 PolarHBondContact O-N 3.42Å; N89-E94 PolarHBondContact OD1-OE2 3.49Å; N89-L95 HydrophobicContact CB-CB 4.24Å; N89-L95 PolarHBondContact O-N 3.34Å
90I92.8Very high92.5Very high6 Ų662.9 Ų62.93%0.03134%0.34CS..Hα-helixtrans-65.6-44.5174.4-67.1165.5000110.3L86 S87 D88 G93 L95 K97 I102 I157 A160L86-I90 HydrophobicContact CD1-CD1 4.16Å; L86-I90 HydrophobicContact CG-CD1 4.06Å; L86-I90 VanDerWaalsContact O-CG1 3.3Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.06Å; S87-I90 PolarHBondContact O-N 3.38Å; D88-I90 PolarHBondContact O-N 2.95Å; I90-G93 PolarHBondContact O-N 2.9Å; I90-L95 HydrophobicContact CG1-CB 4.37Å; I90-L95 HydrophobicContact CG1-CD2 4.23Å; I90-K97 HydrophobicContact CG2-CG 3.96Å; I90-I102 HydrophobicContact CD1-CD1 4.07Å; I90-I102 HydrophobicContact CG1-CD1 4.25Å; I90-I157 HydrophobicContact CD1-CG1 4.41Å; I90-A160 HydrophobicContact CD1-CB 4.13Å
91Q90.3Very high92.2Very high116 Ų11663.6 Ų63.654%0.54235%0.347SS..Hα-helixtrans-65.7-39.5-178.6-73.2178.629.600112.8S87 D88 G93 S156S87-Q91 WeakPolarHBondContact O-CB 3.46Å; S87-Q91 VanDerWaalsContact O-CG 3.3Å; S87-Q91 WeakPolarHBondContact O-CG 3.35Å; S87-Q91 PolarHBondContact O-N 3.39Å; S87-Q91 PolarHBondContact OG-NE2 3.45Å; D88-Q91 PolarHBondContact O-N 2.91Å; Q91-G93 PolarHBondContact O-N 3.38Å; Q91-S156 WeakPolarHBondContact CG-OG 3.49Å; Q91-S156 PolarHBondContact NE2-OG 2.93Å
92R91.2Very high92.1Very high167 Ų16760 Ų6063%0.6333%0.325SS*.THydrogen-bonded Turntrans-74.8-8.7176.7-68.1176.3-170.6176.47.7113.3D88 E94D88-R92 WeakPolarHBondContact O-CB 3.49Å; D88-R92 VanDerWaalsContact O-CG 3.3Å; D88-R92 WeakPolarHBondContact O-CG 3.41Å; D88-R92 PolarHBondContact O-N 3.38Å; R92-E94 HydrophobicContact CB-CG 3.99Å; R92-E94 VanDerWaalsContact CD-OE1 3.29Å; R92-E94 WeakPolarHBondContact CD-OE1 3.37Å; R92-E94 IonicContact NH1-OE1 3.71Å; R92-E94 PolarHBondContact O-N 3.32Å
93G88.1Confident91.9Very high57 Ų5757.6 Ų57.659%0.58831%0.308SS*.THydrogen-bonded Turntrans71.813.3-174.300000113.7N89 I90 Q91N89-G93 PolarHBondContact O-N 2.9Å; I90-G93 PolarHBondContact O-N 2.9Å; Q91-G93 PolarHBondContact O-N 3.38Å
94E90.1Very high91.6Very high125 Ų12559.6 Ų59.658%0.58432%0.322SS*.SBendtrans-66.7-30.5171.7-66.1176.2-158.100110.6N89 R92N89-E94 HydrophobicContact CB-CB 4.38Å; N89-E94 PolarHBondContact O-N 3.42Å; N89-E94 PolarHBondContact OD1-OE2 3.49Å; R92-E94 HydrophobicContact CB-CG 3.99Å; R92-E94 VanDerWaalsContact CD-OE1 3.29Å; R92-E94 WeakPolarHBondContact CD-OE1 3.37Å; R92-E94 IonicContact NH1-OE1 3.71Å; R92-E94 PolarHBondContact O-N 3.32Å
95L89.2Confident91.5Very high28 Ų2859.2 Ų59.215%0.14732%0.32CS..SBendtrans-118.6122.7171.7-164.467.3000109.9L86 N89 I90 D99 I102L86-L95 HydrophobicContact CD1-CD2 3.63Å; N89-L95 HydrophobicContact CB-CB 4.24Å; N89-L95 PolarHBondContact O-N 3.34Å; I90-L95 HydrophobicContact CG1-CB 4.37Å; I90-L95 HydrophobicContact CG1-CD2 4.23Å; L95-D99 HydrophobicContact CD1-CB 4.04Å; L95-D99 WeakPolarHBondContact CD1-OD2 3.47Å; L95-D99 HydrophobicContact CG-CB 4.25Å; L95-I102 HydrophobicContact CD2-CD1 4.09Å; L95-I102 HydrophobicContact CD2-CG1 3.43Å; L95-I102 VanDerWaalsContact CD2-CG1 3.43Å; L95-I102 HydrophobicContact CG-CD1 4.39Å; L95-I102 HydrophobicContact CG-CG1 4.09Å
96S90.5Very high91.4Very high64 Ų6453.1 Ų53.145%0.44829%0.293SS..  trans-66.8140.4177.1178.70000110.6S98 D99 I102S96-S98 PolarHBondContact O-N 3.06Å; S96-S98 VanDerWaalsContact O-N 3.08Å; S96-S98 PolarHBondContact OG-N 3.19Å; S96-S98 PolarHBondContact OG-OG 3.3Å; S96-D99 WeakPolarHBondContact O-CB 3.41Å; S96-D99 PolarHBondContact O-N 2.92Å; S96-I102 WeakPolarHBondContact O-CD1 3.41Å
97K89Confident91.1Very high65 Ų6553.2 Ų53.228%0.28329%0.293SS..THydrogen-bonded Turntrans-60.2-19173.5-69.4172.4175.7170.70113.7I90 E159 A160 T163I90-K97 HydrophobicContact CG2-CG 3.96Å; K97-E159 HydrophobicContact CD-CG 4.27Å; K97-E159 WeakPolarHBondContact CE-OE2 3.47Å; K97-E159 IonicContact NZ-OE1 2.74Å; K97-E159 PolarHBondContact NZ-OE1 3.03Å; K97-E159 IonicContact NZ-OE2 3.57Å; K97-E159 PolarHBondContact NZ-OE2 3.32Å; K97-A160 HydrophobicContact CB-CB 4.33Å; K97-A160 HydrophobicContact CG-CB 4.33Å; K97-T163 HydrophobicContact CB-CG2 4.19Å
98S88.4Confident91Very high80 Ų8057.4 Ų57.456%0.55931%0.313SS*.THydrogen-bonded Turntrans-92.22.3175.1600000113.9S96 I100S96-S98 PolarHBondContact O-N 3.06Å; S96-S98 VanDerWaalsContact O-N 3.08Å; S96-S98 PolarHBondContact OG-N 3.19Å; S96-S98 PolarHBondContact OG-OG 3.3Å; S98-I100 PolarHBondContact O-N 2.96Å
99D89.8Confident90.9Very high53 Ų5354.6 Ų54.628%0.28330%0.299SS..  trans-77.5115.3-178.8-164.1-32.1000111.1L95 S96 T101 I102L95-D99 HydrophobicContact CD1-CB 4.04Å; L95-D99 WeakPolarHBondContact CD1-OD2 3.47Å; L95-D99 HydrophobicContact CG-CB 4.25Å; S96-D99 WeakPolarHBondContact O-CB 3.41Å; S96-D99 PolarHBondContact O-N 2.92Å; D99-T101 PolarHBondContact O-N 3.29Å; D99-T101 VanDerWaalsContact OD1-CB 3.28Å; D99-T101 WeakPolarHBondContact OD1-CB 3.37Å; D99-T101 VanDerWaalsContact OD1-CG2 3.24Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.45Å; D99-T101 PolarHBondContact OD1-N 3.18Å; D99-T101 PolarHBondContact OD1-OG1 3.42Å; D99-T101 PolarHBondContact OD2-OG1 3.43Å; D99-I102 WeakPolarHBondContact O-CB 3.19Å; D99-I102 VanDerWaalsContact O-CG1 3.26Å; D99-I102 WeakPolarHBondContact O-CG1 3.25Å; D99-I102 PolarHBondContact O-N 3.32Å
100I89.1Confident90.7Very high71 Ų7152 Ų5236%0.36429%0.285SS..THydrogen-bonded Turntrans-64.6-20.2-178.8-159.9166.6000112.7S98 I102 I103 L170S98-I100 PolarHBondContact O-N 2.96Å; I100-I102 PolarHBondContact O-N 3.23Å; I100-I102 VanDerWaalsContact O-N 3.1Å; I100-I103 HydrophobicContact CG1-CD1 4.16Å; I100-I103 PolarHBondContact O-N 2.9Å; I100-I103 VanDerWaalsContact O-N 3.07Å; I100-L170 HydrophobicContact CD1-CD2 3.66Å; I100-L170 HydrophobicContact CG1-CD2 4.07Å
101T90.9Very high90.4Very high60 Ų6053 Ų5337%0.36829%0.289SS..Hα-helixtrans-62.1-17.7176.363.10000112.8D99 I103 S104 S105D99-T101 PolarHBondContact O-N 3.29Å; D99-T101 VanDerWaalsContact OD1-CB 3.28Å; D99-T101 WeakPolarHBondContact OD1-CB 3.37Å; D99-T101 VanDerWaalsContact OD1-CG2 3.24Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.45Å; D99-T101 PolarHBondContact OD1-N 3.18Å; D99-T101 PolarHBondContact OD1-OG1 3.42Å; D99-T101 PolarHBondContact OD2-OG1 3.43Å; T101-I103 VanDerWaalsContact C-N 3.28Å; T101-I103 PolarHBondContact O-N 3.39Å; T101-S104 PolarHBondContact O-N 3.05Å; T101-S104 PolarHBondContact O-OG 2.72Å; T101-S105 WeakPolarHBondContact O-CB 3.15Å; T101-S105 PolarHBondContact O-N 2.95Å; T101-S105 PolarHBondContact O-OG 3.23Å
102I93.5Very high90.4Very high0 Ų048.9 Ų48.90%027%0.272CS..Hα-helixtrans-56.6-41.4171.7-67.4173.8000111.2I90 L95 S96 D99 I100 S105 L106 A160 L164I90-I102 HydrophobicContact CD1-CD1 4.07Å; I90-I102 HydrophobicContact CG1-CD1 4.25Å; L95-I102 HydrophobicContact CD2-CD1 4.09Å; L95-I102 HydrophobicContact CD2-CG1 3.43Å; L95-I102 VanDerWaalsContact CD2-CG1 3.43Å; L95-I102 HydrophobicContact CG-CD1 4.39Å; L95-I102 HydrophobicContact CG-CG1 4.09Å; S96-I102 WeakPolarHBondContact O-CD1 3.41Å; D99-I102 WeakPolarHBondContact O-CB 3.19Å; D99-I102 VanDerWaalsContact O-CG1 3.26Å; D99-I102 WeakPolarHBondContact O-CG1 3.25Å; D99-I102 PolarHBondContact O-N 3.32Å; I100-I102 PolarHBondContact O-N 3.23Å; I100-I102 VanDerWaalsContact O-N 3.1Å; I102-S105 PolarHBondContact O-N 3.06Å; I102-L106 HydrophobicContact CG2-CD1 4.1Å; I102-L106 WeakPolarHBondContact O-CG 3.24Å; I102-L106 PolarHBondContact O-N 2.98Å; I102-A160 HydrophobicContact CD1-CB 3.72Å; I102-L164 HydrophobicContact CB-CD1 3.95Å; I102-L164 HydrophobicContact CD1-CD1 4.41Å; I102-L164 HydrophobicContact CG2-CD1 4.13Å
103I91.6Very high90.3Very high4 Ų441 Ų412%0.02124%0.243CC..Hα-helixtrans-59.8-51.3177.7-61.4177.5000109.5I100 T101 S105 L106 E107 L164 L170 E174 L177 L178 W181I100-I103 HydrophobicContact CG1-CD1 4.16Å; I100-I103 PolarHBondContact O-N 2.9Å; I100-I103 VanDerWaalsContact O-N 3.07Å; T101-I103 VanDerWaalsContact C-N 3.28Å; T101-I103 PolarHBondContact O-N 3.39Å; I103-S105 VanDerWaalsContact C-N 3.28Å; I103-S105 PolarHBondContact O-N 2.79Å; I103-L106 PolarHBondContact O-N 3.45Å; I103-E107 PolarHBondContact O-N 3.04Å; I103-L164 HydrophobicContact CG1-CD1 4.22Å; I103-L170 HydrophobicContact CD1-CD2 4.04Å; I103-E174 HydrophobicContact CD1-CB 4.33Å; I103-E174 HydrophobicContact CD1-CG 4.42Å; I103-L177 HydrophobicContact CG2-CD2 3.8Å; I103-L178 HydrophobicContact CD1-CD1 4.37Å; I103-L178 HydrophobicContact CD1-CD2 4.22Å; I103-L178 HydrophobicContact CD1-CG 4.34Å; I103-L178 HydrophobicContact CG1-CD2 4.2Å; I103-W181 HydrophobicContact CG2-CH2 4.32Å; I103-W181 HydrophobicContact CG2-CZ3 4.21Å
104S90.5Very high90.2Very high42 Ų4238.3 Ų38.329%0.29422%0.215SC..Hα-helixtrans-62.8-34.5178.869.50000112.7T101 E107 Q108T101-S104 PolarHBondContact O-N 3.05Å; T101-S104 PolarHBondContact O-OG 2.72Å; S104-E107 PolarHBondContact O-N 3.14Å; S104-Q108 WeakPolarHBondContact O-CB 3.27Å; S104-Q108 WeakPolarHBondContact O-CG 3.26Å; S104-Q108 PolarHBondContact O-N 3.3Å
105S92.7Very high90Very high39 Ų3932.4 Ų32.427%0.27319%0.188SC..Hα-helixtrans-68.1-41.4178.5-59.80000111.8T101 I102 I103 A109T101-S105 WeakPolarHBondContact O-CB 3.15Å; T101-S105 PolarHBondContact O-N 2.95Å; T101-S105 PolarHBondContact O-OG 3.23Å; I102-S105 PolarHBondContact O-N 3.06Å; I103-S105 VanDerWaalsContact C-N 3.28Å; I103-S105 PolarHBondContact O-N 2.79Å; S105-A109 PolarHBondContact O-N 3.28Å; S105-A109 VanDerWaalsContact O-N 3.08Å
106L93.3Very high90Very high0 Ų031.1 Ų31.10%018%0.181CC..Hα-helixtrans-64.3-46.1174.1-72.8170.2000111.1L83 L86 I102 I103 Q108 A109 S110 F151 I157 L161 W181L83-L106 HydrophobicContact CD2-CD2 3.52Å; L86-L106 HydrophobicContact CD2-CD2 3.51Å; L86-L106 HydrophobicContact CD2-CG 3.71Å; I102-L106 HydrophobicContact CG2-CD1 4.1Å; I102-L106 WeakPolarHBondContact O-CG 3.24Å; I102-L106 PolarHBondContact O-N 2.98Å; I103-L106 PolarHBondContact O-N 3.45Å; L106-Q108 PolarHBondContact O-N 3.41Å; L106-A109 PolarHBondContact O-N 2.9Å; L106-S110 PolarHBondContact O-N 2.77Å; L106-S110 PolarHBondContact O-OG 3.24Å; L106-F151 HydrophobicContact CD1-CE2 3.83Å; L106-F151 HydrophobicContact CD1-CZ 3.96Å; L106-F151 HydrophobicContact CD2-CD2 3.95Å; L106-F151 HydrophobicContact CD2-CE2 3.62Å; L106-F151 HydrophobicContact CD2-CZ 4.03Å; L106-F151 HydrophobicContact CG-CE2 4.35Å; L106-F151 HydrophobicContact CG-CZ 4.49Å; L106-I157 HydrophobicContact CD1-CG2 4.21Å; L106-I157 HydrophobicContact CD2-CG2 4.21Å; L106-L161 HydrophobicContact CD1-CD2 3.76Å; L106-W181 HydrophobicContact CB-CH2 3.63Å; L106-W181 HydrophobicContact CB-CZ2 4.22Å; L106-W181 HydrophobicContact CB-CZ3 4.08Å; L106-W181 HydrophobicContact CD1-CE3 3.98Å; L106-W181 HydrophobicContact CD1-CH2 4.04Å; L106-W181 HydrophobicContact CD1-CZ3 3.6Å; L106-W181 HydrophobicContact CG-CH2 4.5Å; L106-W181 HydrophobicContact CG-CZ3 4.5Å
107E90.3Very high89.8Confident14 Ų1428.8 Ų28.87%0.06516%0.163CC..Hα-helixtrans-63.5-40.8177.4-73.7-160.791.300112.5I103 S104 A109 S110 F111 L177 W181 L564 H621 H622I103-E107 PolarHBondContact O-N 3.04Å; S104-E107 PolarHBondContact O-N 3.14Å; E107-A109 VanDerWaalsContact C-N 3.27Å; E107-A109 PolarHBondContact O-N 2.85Å; E107-S110 PolarHBondContact O-N 3.35Å; E107-F111 VanDerWaalsContact O-CB 3.31Å; E107-F111 WeakPolarHBondContact O-CB 3.16Å; E107-F111 PolarHBondContact O-N 2.97Å; E107-L177 HydrophobicContact CG-CD2 4.44Å; E107-W181 HydrophobicContact CG-CH2 4.06Å; E107-W181 HydrophobicContact CG-CZ2 4.34Å; E107-L564 HydrophobicContact CB-CD2 3.8Å; E107-H621 VanDerWaalsContact OE1-CA 3.25Å; E107-H621 WeakPolarHBondContact OE1-CA 3.17Å; E107-H621 WeakPolarHBondContact OE1-CB 3.44Å; E107-H621 IonicContact OE1-CG 3.62Å; E107-H621 IonicContact OE1-ND1 2.72Å; E107-H621 IonicContact OE2-CE1 3.74Å; E107-H621 IonicContact OE2-CG 2.95Å; E107-H621 IonicContact OE2-ND1 3.3Å; E107-H621 PolarHBondContact OE2-ND1 2.83Å; E107-H622 PolarHBondContact O-CE1 3.19Å; E107-H622 IonicContact OE1-CE1 3.6Å; E107-H622 PolarHBondContact OE1-N 2.99Å; E107-H622 IonicContact OE1-ND1 2.77Å; E107-H622 PolarHBondContact OE1-ND1 2.69Å
108Q91Very high89.5Confident90 Ų9026.3 Ų26.342%0.42115%0.151SC..Hα-helixtrans-62.2-34.8175.7-76172.511.300112.3S104 L106 P112 L564S104-Q108 WeakPolarHBondContact O-CB 3.27Å; S104-Q108 WeakPolarHBondContact O-CG 3.26Å; S104-Q108 PolarHBondContact O-N 3.3Å; L106-Q108 PolarHBondContact O-N 3.41Å; Q108-P112 VanDerWaalsContact O-CD 3.3Å; Q108-P112 WeakPolarHBondContact O-CD 3.07Å; Q108-L564 HydrophobicContact CG-CD1 4.36Å; Q108-L564 HydrophobicContact CG-CD2 3.67Å; Q108-L564 HydrophobicContact CG-CG 4.46Å
109A92.5Very high89.3Confident9 Ų922.7 Ų22.77%0.07413%0.126CC..Hα-helixtrans-70.5-47.7174.100000111.5Y79 L83 S105 L106 E107Y79-A109 HydrophobicContact CD2-CB 4.28Å; Y79-A109 WeakPolarHBondContact CD2-O 3.15Å; L83-A109 HydrophobicContact CD2-CB 4.3Å; S105-A109 PolarHBondContact O-N 3.28Å; S105-A109 VanDerWaalsContact O-N 3.08Å; L106-A109 PolarHBondContact O-N 2.9Å; E107-A109 VanDerWaalsContact C-N 3.27Å; E107-A109 PolarHBondContact O-N 2.85Å
110S89.3Confident89.1Confident1 Ų120.4 Ų20.41%0.00711%0.114CC..Hα-helixtrans-68-43.7-176.4-76.80000113.6L106 E107 V113 E114 R147 E623L106-S110 PolarHBondContact O-N 2.77Å; L106-S110 PolarHBondContact O-OG 3.24Å; E107-S110 PolarHBondContact O-N 3.35Å; S110-V113 WeakPolarHBondContact O-CG1 3.48Å; S110-V113 PolarHBondContact O-N 2.93Å; S110-E114 WeakPolarHBondContact O-CB 3.34Å; S110-E114 WeakPolarHBondContact O-CG 3.22Å; S110-E114 PolarHBondContact O-N 3.02Å; S110-E114 VanDerWaalsContact O-N 3.08Å; S110-R147 PolarHBondContact OG-NH2 3.27Å; S110-E623 WeakPolarHBondContact CB-OE1 3.33Å; S110-E623 PolarHBondContact OG-OE1 3.36Å
111F88.2Confident88.6Confident27 Ų2719.4 Ų19.412%0.11811%0.113CC..Hα-helixtrans-56.9-47.3-165176.9-100.1000114.7E107 V113 E114 Q115 F559 T560 N562 L564 H622E107-F111 VanDerWaalsContact O-CB 3.31Å; E107-F111 WeakPolarHBondContact O-CB 3.16Å; E107-F111 PolarHBondContact O-N 2.97Å; F111-V113 PolarHBondContact O-N 2.87Å; F111-E114 PolarHBondContact O-N 3.47Å; F111-Q115 HydrophobicContact CE1-CB 4.38Å; F111-Q115 HydrophobicContact CE2-CB 4.35Å; F111-Q115 HydrophobicContact CZ-CB 4.14Å; F111-Q115 HydrophobicContact CZ-CG 4.24Å; F111-Q115 VanDerWaalsContact O-CB 3.3Å; F111-Q115 WeakPolarHBondContact O-CB 3.49Å; F111-Q115 PolarHBondContact O-N 3.39Å; F111-F559 HydrophobicContact CZ-CE2 4.3Å; F111-F559 HydrophobicContact CZ-CZ 4.11Å; F111-T560 HydrophobicContact CE2-CG2 4.13Å; F111-N562 HydrophobicContact CD2-CB 3.84Å; F111-N562 HydrophobicContact CE2-CB 3.55Å; F111-N562 HydrophobicContact CG-CB 4.47Å; F111-N562 HydrophobicContact CZ-CB 3.94Å; F111-N562 WeakPolarHBondContact CZ-ND2 3.22Å; F111-L564 HydrophobicContact CB-CD1 3.42Å; F111-L564 VanDerWaalsContact CB-CD1 3.42Å; F111-L564 HydrophobicContact CD1-CD1 3.9Å; F111-L564 HydrophobicContact CD2-CD1 4.5Å; F111-L564 HydrophobicContact CG-CD1 3.69Å; F111-H622 WeakPolarHBondContact CA-NE2 3.5Å; F111-H622 HydrophobicContact CD2-CB 4.09Å; F111-H622 AromaticContact CD2-CD2 3.75Å; F111-H622 AromaticContact CD2-CG 3.73Å; F111-H622 HydrophobicContact CE2-CB 4.49Å; F111-H622 PolarHBondContact N-NE2 3Å
112P90.1Very high88.2Confident30 Ų3016.6 Ų16.620%0.19510%0.095CC..Hα-helixtrans-62.6-43.9-176.4-24.735.8000113.1L52 L75 Q108 E114 A116L52-P112 HydrophobicContact CD1-CB 4.29Å; L52-P112 HydrophobicContact CD2-CB 4.17Å; L52-P112 WeakPolarHBondContact CD2-O 3.47Å; L75-P112 HydrophobicContact CD2-CB 3.96Å; Q108-P112 VanDerWaalsContact O-CD 3.3Å; Q108-P112 WeakPolarHBondContact O-CD 3.07Å; P112-E114 VanDerWaalsContact C-N 3.35Å; P112-A116 WeakPolarHBondContact O-CB 3.36Å; P112-A116 PolarHBondContact O-N 3.03Å
113V88.6Confident87.8Confident1 Ų116.7 Ų16.71%0.00610%0.096CC..Hα-helixtrans-68.7-38.9179.657.80000110.8L75 I76 Y79 S110 F111 A116 F117 F143L75-V113 HydrophobicContact CB-CB 4.3Å; I76-V113 HydrophobicContact CG1-CG2 3.76Å; Y79-V113 HydrophobicContact CD2-CG1 3.93Å; Y79-V113 HydrophobicContact CG-CG1 4.19Å; S110-V113 WeakPolarHBondContact O-CG1 3.48Å; S110-V113 PolarHBondContact O-N 2.93Å; F111-V113 PolarHBondContact O-N 2.87Å; V113-A116 WeakPolarHBondContact O-CB 3.45Å; V113-A116 PolarHBondContact O-N 3.04Å; V113-F117 HydrophobicContact CG2-CD2 3.99Å; V113-F117 HydrophobicContact CG2-CE2 3.71Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 2.96Å; V113-F117 VanDerWaalsContact O-N 3.1Å; V113-F143 HydrophobicContact CB-CD2 4.48Å; V113-F143 HydrophobicContact CB-CE2 4.22Å; V113-F143 HydrophobicContact CG1-CD2 4.11Å; V113-F143 HydrophobicContact CG1-CE2 3.41Å; V113-F143 VanDerWaalsContact CG1-CE2 3.41Å; V113-F143 HydrophobicContact CG1-CZ 3.8Å; V113-F143 HydrophobicContact CG2-CD2 3.52Å; V113-F143 HydrophobicContact CG2-CE2 3.7Å; V113-F143 HydrophobicContact CG2-CG 3.98Å; V113-F143 HydrophobicContact CG2-CZ 4.25Å
114E86.2Confident87.1Confident1 Ų118 Ų181%0.00510%0.104CC..Hα-helixtrans-65.4-45.1176.7-81.2-162.3166.800113.5S110 F111 P112 A116 F117 R118 F143 R147 H622 F627S110-E114 WeakPolarHBondContact O-CB 3.34Å; S110-E114 WeakPolarHBondContact O-CG 3.22Å; S110-E114 PolarHBondContact O-N 3.02Å; S110-E114 VanDerWaalsContact O-N 3.08Å; F111-E114 PolarHBondContact O-N 3.47Å; P112-E114 VanDerWaalsContact C-N 3.35Å; E114-A116 VanDerWaalsContact C-N 3.28Å; E114-A116 PolarHBondContact O-N 2.85Å; E114-F117 PolarHBondContact O-N 2.87Å; E114-F117 VanDerWaalsContact O-N 3.16Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-F143 HydrophobicContact CG-CE1 4.41Å; E114-F143 HydrophobicContact CG-CZ 4.13Å; E114-R147 IonicContact OE1-CZ 3.97Å; E114-R147 IonicContact OE1-NH1 2.63Å; E114-R147 PolarHBondContact OE1-NH1 3.16Å; E114-R147 IonicContact OE1-NH2 3.38Å; E114-R147 PolarHBondContact OE1-NH2 3.23Å; E114-H622 IonicContact OE2-CD2 3.56Å; E114-H622 PolarHBondContact OE2-CD2 3.09Å; E114-H622 IonicContact OE2-NE2 3.98Å; E114-H622 PolarHBondContact OE2-NE2 3.41Å; E114-F627 HydrophobicContact CB-CE2 3.49Å; E114-F627 VanDerWaalsContact CB-CE2 3.49Å; E114-F627 HydrophobicContact CB-CZ 3.44Å; E114-F627 VanDerWaalsContact CB-CZ 3.44Å; E114-F627 HydrophobicContact CG-CE2 3.54Å; E114-F627 HydrophobicContact CG-CZ 3.56Å; E114-F627 WeakPolarHBondContact OE2-CE2 3.46Å
115Q86.1Confident86.6Confident2 Ų216.8 Ų16.81%0.00910%0.095CC..Hα-helixtrans-62.7-37.8175.7-178.350.438.100111.1L52 F111 F117 R118 N119 V558 F559L52-Q115 VanDerWaalsContact O-CG 3.32Å; L52-Q115 WeakPolarHBondContact O-CG 3.25Å; F111-Q115 HydrophobicContact CE1-CB 4.38Å; F111-Q115 HydrophobicContact CE2-CB 4.35Å; F111-Q115 HydrophobicContact CZ-CB 4.14Å; F111-Q115 HydrophobicContact CZ-CG 4.24Å; F111-Q115 VanDerWaalsContact O-CB 3.3Å; F111-Q115 WeakPolarHBondContact O-CB 3.49Å; F111-Q115 PolarHBondContact O-N 3.39Å; Q115-F117 PolarHBondContact O-N 2.84Å; Q115-R118 WeakPolarHBondContact O-CB 3.47Å; Q115-R118 PolarHBondContact O-N 2.8Å; Q115-N119 PolarHBondContact NE2-ND2 3.35Å; Q115-N119 PolarHBondContact NE2-OD1 2.77Å; Q115-N119 PolarHBondContact O-N 2.83Å; Q115-V558 PolarHBondContact NE2-O 2.95Å; Q115-F559 HydrophobicContact CG-CD2 4.22Å; Q115-F559 HydrophobicContact CG-CE2 4.11Å
116A87.9Confident85.9Confident0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-61-42.4172.700000112.5I51 L52 V72 L75 P112 V113 E114 R118 N119 L120I51-A116 HydrophobicContact CG2-CB 3.53Å; L52-A116 HydrophobicContact CD2-CB 4.26Å; V72-A116 HydrophobicContact CG2-CB 4.06Å; L75-A116 HydrophobicContact CD1-CB 3.65Å; P112-A116 WeakPolarHBondContact O-CB 3.36Å; P112-A116 PolarHBondContact O-N 3.03Å; V113-A116 WeakPolarHBondContact O-CB 3.45Å; V113-A116 PolarHBondContact O-N 3.04Å; E114-A116 VanDerWaalsContact C-N 3.28Å; E114-A116 PolarHBondContact O-N 2.85Å; A116-R118 VanDerWaalsContact C-N 3.35Å; A116-N119 PolarHBondContact O-N 2.89Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 WeakPolarHBondContact O-CG 3.08Å; A116-L120 PolarHBondContact O-N 3.5Å
117F86.1Confident85.3Confident16 Ų1617 Ų177%0.079%0.091CC..Hα-helixtrans-67.3-33.3176.1-83.2-71.5000113.2V72 I76 V113 E114 Q115 L120 S121 L139 Y140 F143V72-F117 HydrophobicContact CG1-CE2 4.22Å; V72-F117 HydrophobicContact CG1-CZ 4.13Å; I76-F117 HydrophobicContact CD1-CE2 4.48Å; I76-F117 HydrophobicContact CD1-CZ 4.37Å; V113-F117 HydrophobicContact CG2-CD2 3.99Å; V113-F117 HydrophobicContact CG2-CE2 3.71Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 2.96Å; V113-F117 VanDerWaalsContact O-N 3.1Å; E114-F117 PolarHBondContact O-N 2.87Å; E114-F117 VanDerWaalsContact O-N 3.16Å; Q115-F117 PolarHBondContact O-N 2.84Å; F117-L120 HydrophobicContact CD1-CD1 4.19Å; F117-L120 HydrophobicContact CE1-CD1 4.34Å; F117-L120 PolarHBondContact O-N 3.39Å; F117-S121 WeakPolarHBondContact O-CB 3.1Å; F117-S121 PolarHBondContact O-N 2.83Å; F117-L139 HydrophobicContact CE1-CB 3.87Å; F117-L139 VanDerWaalsContact CZ-C 3.46Å; F117-L139 HydrophobicContact CZ-CB 3.88Å; F117-L139 WeakPolarHBondContact CZ-O 3.43Å; F117-Y140 HydrophobicContact CD1-CD2 4.33Å; F117-Y140 HydrophobicContact CE1-CD2 4.3Å; F117-F143 HydrophobicContact CD2-CB 4.49Å; F117-F143 AromaticContact CD2-CD1 3.88Å; F117-F143 HydrophobicContact CD2-CD1 3.88Å; F117-F143 HydrophobicContact CD2-CE1 4.4Å; F117-F143 HydrophobicContact CD2-CG 4.26Å; F117-F143 HydrophobicContact CE2-CB 3.47Å; F117-F143 VanDerWaalsContact CE2-CB 3.47Å; F117-F143 AromaticContact CE2-CD1 3.68Å; F117-F143 HydrophobicContact CE2-CD1 3.68Å; F117-F143 HydrophobicContact CE2-CD2 4.49Å; F117-F143 AromaticContact CE2-CG 3.63Å; F117-F143 HydrophobicContact CE2-CG 3.63Å; F117-F143 HydrophobicContact CZ-CB 3.73Å; F117-F143 HydrophobicContact CZ-CD1 4.46Å; F117-F143 HydrophobicContact CZ-CG 4.35Å
118R83.3Confident84.6Confident12 Ų1221 Ų215%0.04511%0.113CC..Hα-helixtrans-62.2-50.7172.7-175.4-177.7-53.3-67.1-27.7111E114 Q115 A116 L120 S121 C122 V558 Y614 G626E114-R118 PolarHBondContact O-N 2.88Å; Q115-R118 WeakPolarHBondContact O-CB 3.47Å; Q115-R118 PolarHBondContact O-N 2.8Å; A116-R118 VanDerWaalsContact C-N 3.35Å; R118-L120 PolarHBondContact O-N 2.88Å; R118-S121 WeakPolarHBondContact O-CB 3.4Å; R118-S121 PolarHBondContact O-N 2.82Å; R118-S121 VanDerWaalsContact O-N 3.15Å; R118-C122 PolarHBondContact O-N 2.97Å; R118-V558 WeakPolarHBondContact CD-O 3.35Å; R118-V558 WeakPolarHBondContact CG-O 3.37Å; R118-Y614 PolarHBondContact NH1-OH 3.19Å; R118-G626 PolarHBondContact NH1-O 3.35Å; R118-G626 PolarHBondContact NH2-O 3.1Å
119N85Confident84.1Confident5 Ų519.4 Ų19.43%0.02711%0.108CC..Hα-helixtrans-59.7-44.9175.8-80-18.4000111.3I51 L52 E53 L55 Q115 A116 S121 C122 L123 V558I51-N119 PolarHBondContact O-ND2 2.93Å; L52-N119 PolarHBondContact O-ND2 3.17Å; E53-N119 PolarHBondContact O-ND2 2.9Å; L55-N119 HydrophobicContact CD1-CB 3.95Å; L55-N119 WeakPolarHBondContact CD1-O 3.19Å; L55-N119 HydrophobicContact CG-CB 3.92Å; Q115-N119 PolarHBondContact NE2-ND2 3.35Å; Q115-N119 PolarHBondContact NE2-OD1 2.77Å; Q115-N119 PolarHBondContact O-N 2.83Å; A116-N119 PolarHBondContact O-N 2.89Å; N119-S121 VanDerWaalsContact C-N 3.33Å; N119-S121 PolarHBondContact O-N 2.75Å; N119-C122 PolarHBondContact O-N 3.39Å; N119-L123 WeakPolarHBondContact O-CB 3.17Å; N119-L123 PolarHBondContact O-N 3.17Å; N119-V558 PolarHBondContact OD1-O 2.93Å
120L84.7Confident83.4Confident5 Ų529 Ų293%0.02614%0.142CC..Hα-helixtrans-58-41.8173.9-78.9177.8000113.1V68 V72 A116 F117 R118 L123 T124 W132 V136 L139V68-L120 HydrophobicContact CG1-CD2 3.52Å; V68-L120 HydrophobicContact CG1-CG 4.42Å; V72-L120 HydrophobicContact CG1-CD1 4.4Å; V72-L120 HydrophobicContact CG2-CD1 4.04Å; A116-L120 WeakPolarHBondContact O-CB 3.24Å; A116-L120 WeakPolarHBondContact O-CG 3.08Å; A116-L120 PolarHBondContact O-N 3.5Å; F117-L120 HydrophobicContact CD1-CD1 4.19Å; F117-L120 HydrophobicContact CE1-CD1 4.34Å; F117-L120 PolarHBondContact O-N 3.39Å; R118-L120 PolarHBondContact O-N 2.88Å; L120-L123 HydrophobicContact CD2-CD2 4.36Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 2.88Å; L120-T124 WeakPolarHBondContact O-CG2 3.4Å; L120-T124 PolarHBondContact O-N 3Å; L120-W132 HydrophobicContact CD2-CE3 4.22Å; L120-W132 HydrophobicContact CD2-CZ3 4.08Å; L120-V136 HydrophobicContact CB-CG2 4.18Å; L120-V136 HydrophobicContact CD1-CG2 4.35Å; L120-V136 HydrophobicContact CD2-CG2 4.06Å; L120-V136 HydrophobicContact CG-CG2 4.45Å; L120-L139 HydrophobicContact CD1-CD1 3.96Å
121S79.6Confident83.2Confident49 Ų4931.7 Ų31.734%0.34316%0.158SC..Hα-helixtrans-63.6-44.3176.8-172.40000111.3F117 R118 N119 T124 T125F117-S121 WeakPolarHBondContact O-CB 3.1Å; F117-S121 PolarHBondContact O-N 2.83Å; R118-S121 WeakPolarHBondContact O-CB 3.4Å; R118-S121 PolarHBondContact O-N 2.82Å; R118-S121 VanDerWaalsContact O-N 3.15Å; N119-S121 VanDerWaalsContact C-N 3.33Å; N119-S121 PolarHBondContact O-N 2.75Å; S121-T124 PolarHBondContact O-N 3.49Å; S121-T124 PolarHBondContact O-OG1 3.37Å; S121-T125 PolarHBondContact O-OG1 2.99Å
122C82Confident82.9Confident1 Ų130.5 Ų30.51%0.00715%0.153CC..Hα-helixtrans-65.2-40.8175.3-173.30000111.6L55 R118 N119 T124 T125 L126 V558L55-C122 HydrophobicContact CD1-CB 4.3Å; R118-C122 PolarHBondContact O-N 2.97Å; N119-C122 PolarHBondContact O-N 3.39Å; C122-T124 VanDerWaalsContact C-N 3.34Å; C122-T124 PolarHBondContact O-N 3.19Å; C122-T125 CarbonylContact O-C 3.44Å; C122-T125 WeakPolarHBondContact O-CA 3.41Å; C122-T125 VanDerWaalsContact O-CB 3.29Å; C122-T125 WeakPolarHBondContact O-CB 3.25Å; C122-T125 PolarHBondContact O-N 3.09Å; C122-L126 PolarHBondContact O-N 2.99Å; C122-L126 VanDerWaalsContact SG-CD1 3.52Å; C122-V558 HydrophobicContact CB-CG2 3.94Å; C122-V558 WeakPolarHBondContact SG-CG2 3.47Å
123L84.1Confident82Confident3 Ų331.4 Ų31.42%0.01616%0.156CC..Hα-helixtrans-56.9-43.8177-176.762.5000112.4L55 L60 L63 N119 L120 T125 L126 K127 W132L55-L123 HydrophobicContact CD1-CB 3.97Å; L60-L123 HydrophobicContact CD2-CD1 3.87Å; L63-L123 HydrophobicContact CD1-CD1 3.93Å; L63-L123 HydrophobicContact CD1-CD2 4.08Å; N119-L123 WeakPolarHBondContact O-CB 3.17Å; N119-L123 PolarHBondContact O-N 3.17Å; L120-L123 HydrophobicContact CD2-CD2 4.36Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 2.88Å; L123-T125 PolarHBondContact O-N 3.03Å; L123-T125 VanDerWaalsContact O-N 3.16Å; L123-L126 PolarHBondContact O-N 3.28Å; L123-K127 HydrophobicContact CD1-CB 4.42Å; L123-K127 HydrophobicContact CD1-CD 4.09Å; L123-K127 HydrophobicContact CD1-CG 4.32Å; L123-K127 PolarHBondContact O-N 3.42Å; L123-W132 HydrophobicContact CD2-CD2 3.74Å; L123-W132 HydrophobicContact CD2-CE3 3.61Å; L123-W132 HydrophobicContact CD2-CH2 3.51Å; L123-W132 HydrophobicContact CD2-CZ2 3.61Å; L123-W132 HydrophobicContact CD2-CZ3 3.48Å; L123-W132 VanDerWaalsContact CD2-CZ3 3.48Å; L123-W132 HydrophobicContact CG-CD2 4.26Å; L123-W132 HydrophobicContact CG-CZ2 4.46Å
124T78.5Confident81.4Confident30 Ų3034.6 Ų34.618%0.18417%0.173CC..Hα-helixtrans-64.7-16.2175.162.60000113.8L120 S121 C122 W132 V136L120-T124 WeakPolarHBondContact O-CG2 3.4Å; L120-T124 PolarHBondContact O-N 3Å; S121-T124 PolarHBondContact O-N 3.49Å; S121-T124 PolarHBondContact O-OG1 3.37Å; C122-T124 VanDerWaalsContact C-N 3.34Å; C122-T124 PolarHBondContact O-N 3.19Å; T124-W132 HydrophobicContact CG2-CB 3.89Å; T124-V136 HydrophobicContact CG2-CG2 4.02Å
125T78.3Confident81.2Confident17 Ų1735.5 Ų35.510%0.10418%0.178CC..Hα-helixtrans-92.4-36.1174.5-51.60000111.2S121 C122 L123 R546 I554 L584S121-T125 PolarHBondContact O-OG1 2.99Å; C122-T125 CarbonylContact O-C 3.44Å; C122-T125 WeakPolarHBondContact O-CA 3.41Å; C122-T125 VanDerWaalsContact O-CB 3.29Å; C122-T125 WeakPolarHBondContact O-CB 3.25Å; C122-T125 PolarHBondContact O-N 3.09Å; L123-T125 PolarHBondContact O-N 3.03Å; L123-T125 VanDerWaalsContact O-N 3.16Å; T125-R546 VanDerWaalsContact O-CG 3.31Å; T125-R546 WeakPolarHBondContact O-CG 3.45Å; T125-I554 HydrophobicContact CG2-CD1 4.25Å; T125-I554 HydrophobicContact CG2-CG2 3.88Å; T125-L584 HydrophobicContact CG2-CD1 3.72Å
126L79.7Confident81.1Confident5 Ų535.9 Ų35.93%0.02618%0.18CC..Hα-helixtrans-79.9-30.5180-68.2172.8000113.7L60 C122 L123 L584L60-L126 HydrophobicContact CD1-CB 4.08Å; L60-L126 HydrophobicContact CD1-CD1 4.26Å; L60-L126 HydrophobicContact CD2-CD1 4Å; C122-L126 PolarHBondContact O-N 2.99Å; C122-L126 VanDerWaalsContact SG-CD1 3.52Å; L123-L126 PolarHBondContact O-N 3.28Å; L126-L584 HydrophobicContact CD2-CD1 3.61Å; L126-L584 HydrophobicContact CD2-CD2 3.95Å; L126-L584 HydrophobicContact CD2-CG 4.45Å; L126-L584 HydrophobicContact CG-CD1 4.37Å
127K80.4Confident80.4Confident38 Ų3836.6 Ų36.617%0.16519%0.185CC..  trans-121.5124.9-178.1-80-169.3159-1780112.5L60 D61 L123 D129 N545L60-K127 HydrophobicContact CB-CD 4.27Å; L60-K127 PolarHBondContact O-NZ 3.45Å; D61-K127 WeakPolarHBondContact OD1-CE 3.43Å; D61-K127 IonicContact OD1-NZ 3.82Å; D61-K127 PolarHBondContact OD1-NZ 3.07Å; L123-K127 HydrophobicContact CD1-CB 4.42Å; L123-K127 HydrophobicContact CD1-CD 4.09Å; L123-K127 HydrophobicContact CD1-CG 4.32Å; L123-K127 PolarHBondContact O-N 3.42Å; K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.14Å; K127-D129 VanDerWaalsContact O-N 3.11Å; K127-N545 CarbonylContact C-O 3.57Å; K127-N545 WeakPolarHBondContact CA-O 3.29Å
128N74.7Confident80.2Confident99 Ų9942.2 Ų42.253%0.52921%0.205SC..  trans-85.264.2172.1-169.613000111N545 S547N128-N545 WeakPolarHBondContact CB-O 3.25Å; N128-N545 PolarHBondContact N-O 3.05Å; N128-S547 PolarHBondContact OD1-OG 3.08Å
129D81Confident80.4Confident57 Ų5741.6 Ų41.631%0.30520%0.203SC..  trans-115.4121.2171.3167.715.1000110.2K127 T131 W132K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.14Å; K127-D129 VanDerWaalsContact O-N 3.11Å; D129-T131 PolarHBondContact O-N 2.78Å; D129-T131 VanDerWaalsContact OD1-CB 3.23Å; D129-T131 WeakPolarHBondContact OD1-CB 3.5Å; D129-T131 PolarHBondContact OD1-N 3.39Å; D129-T131 PolarHBondContact OD1-OG1 2.84Å; D129-W132 PolarHBondContact O-N 3.04Å; D129-W132 PolarHBondContact OD2-NE1 3.31Å
130R77Confident80.3Confident209 Ų20945 Ų4579%0.78922%0.216SC*.THydrogen-bonded Turntrans-63.2-21.5-177-64.7-178.5178.4-178.2-0.7112.7W132 N133R130-W132 VanDerWaalsContact C-N 3.33Å; R130-N133 WeakPolarHBondContact O-CB 3.4Å; R130-N133 PolarHBondContact O-N 3.34Å
131T85Confident80Confident58 Ų5848 Ų4836%0.35623%0.23SC..THydrogen-bonded Turntrans-63.6-39.2177.4-46.70000111.1P65 D129 N133 L134 I135P65-T131 HydrophobicContact CB-CG2 3.68Å; P65-T131 HydrophobicContact CG-CG2 3.84Å; D129-T131 PolarHBondContact O-N 2.78Å; D129-T131 VanDerWaalsContact OD1-CB 3.23Å; D129-T131 WeakPolarHBondContact OD1-CB 3.5Å; D129-T131 PolarHBondContact OD1-N 3.39Å; D129-T131 PolarHBondContact OD1-OG1 2.84Å; T131-N133 VanDerWaalsContact C-N 3.26Å; T131-N133 PolarHBondContact O-N 3.42Å; T131-L134 WeakPolarHBondContact O-CB 3.46Å; T131-L134 PolarHBondContact O-N 2.88Å; T131-I135 HydrophobicContact CG2-CG2 4.46Å; T131-I135 PolarHBondContact O-N 3.01Å
132W83Confident80.3Confident3 Ų350.3 Ų50.31%0.01123%0.234CC..Hα-helixtrans-60.1-38.2177-61.6109.3000112.2L63 P65 V68 L120 L123 T124 D129 R130 L134 I135 V136L63-W132 HydrophobicContact CB-CH2 4.34Å; L63-W132 HydrophobicContact CB-CZ2 4.44Å; P65-W132 HydrophobicContact CB-CH2 4.36Å; P65-W132 HydrophobicContact CG-CH2 4.13Å; P65-W132 HydrophobicContact CG-CZ2 3.81Å; V68-W132 HydrophobicContact CB-CH2 3.99Å; V68-W132 HydrophobicContact CB-CZ3 3.84Å; V68-W132 HydrophobicContact CG1-CH2 4.42Å; V68-W132 HydrophobicContact CG1-CZ3 3.88Å; V68-W132 HydrophobicContact CG2-CH2 3.79Å; V68-W132 HydrophobicContact CG2-CZ3 4.1Å; L120-W132 HydrophobicContact CD2-CE3 4.22Å; L120-W132 HydrophobicContact CD2-CZ3 4.08Å; L123-W132 HydrophobicContact CD2-CD2 3.74Å; L123-W132 HydrophobicContact CD2-CE3 3.61Å; L123-W132 HydrophobicContact CD2-CH2 3.51Å; L123-W132 HydrophobicContact CD2-CZ2 3.61Å; L123-W132 HydrophobicContact CD2-CZ3 3.48Å; L123-W132 VanDerWaalsContact CD2-CZ3 3.48Å; L123-W132 HydrophobicContact CG-CD2 4.26Å; L123-W132 HydrophobicContact CG-CZ2 4.46Å; T124-W132 HydrophobicContact CG2-CB 3.89Å; D129-W132 PolarHBondContact O-N 3.04Å; D129-W132 PolarHBondContact OD2-NE1 3.31Å; R130-W132 VanDerWaalsContact C-N 3.33Å; W132-L134 PolarHBondContact O-N 3.25Å; W132-L134 VanDerWaalsContact O-N 3.16Å; W132-I135 HydrophobicContact CD2-CD1 4.29Å; W132-I135 HydrophobicContact CE3-CD1 3.31Å; W132-I135 HydrophobicContact CE3-CG1 4.01Å; W132-I135 HydrophobicContact CH2-CD1 4.43Å; W132-I135 HydrophobicContact CZ3-CD1 3.41Å; W132-I135 VanDerWaalsContact CZ3-CD1 3.41Å; W132-I135 PolarHBondContact O-N 3.46Å; W132-V136 WeakPolarHBondContact O-CB 3.38Å; W132-V136 WeakPolarHBondContact O-CG2 3.42Å; W132-V136 PolarHBondContact O-N 2.83Å
133N70.4Confident80.7Confident49 Ų4950.8 Ų50.826%0.26224%0.236SC..Hα-helixtrans-66.4-14.2177.2-65.6-35.5000113.8R130 T131 P137R130-N133 WeakPolarHBondContact O-CB 3.4Å; R130-N133 PolarHBondContact O-N 3.34Å; T131-N133 VanDerWaalsContact C-N 3.26Å; T131-N133 PolarHBondContact O-N 3.42Å; N133-P137 WeakPolarHBondContact O-CD 3.47Å; N133-P137 WeakPolarHBondContact O-CG 3.12Å
134L76.5Confident80.6Confident67 Ų6753.1 Ų53.135%0.35125%0.246SC..Hα-helixtrans-93.5-39.9173.6-65.2172.5000112.2R19 T131 W132 R138R19-L134 HydrophobicContact CB-CD2 4.13Å; T131-L134 WeakPolarHBondContact O-CB 3.46Å; T131-L134 PolarHBondContact O-N 2.88Å; W132-L134 PolarHBondContact O-N 3.25Å; W132-L134 VanDerWaalsContact O-N 3.16Å; L134-R138 WeakPolarHBondContact O-CG 3.38Å
135I82.8Confident80.9Confident21 Ų2153.6 Ų53.611%0.10825%0.253CS..Hα-helixtrans-83.1-41.4-172.374.5177.4000112.7P65 F69 T131 W132 R138 L139P65-I135 HydrophobicContact CB-CD1 3.99Å; F69-I135 HydrophobicContact CD2-CB 4.15Å; T131-I135 HydrophobicContact CG2-CG2 4.46Å; T131-I135 PolarHBondContact O-N 3.01Å; W132-I135 HydrophobicContact CD2-CD1 4.29Å; W132-I135 HydrophobicContact CE3-CD1 3.31Å; W132-I135 HydrophobicContact CE3-CG1 4.01Å; W132-I135 HydrophobicContact CH2-CD1 4.43Å; W132-I135 HydrophobicContact CZ3-CD1 3.41Å; W132-I135 VanDerWaalsContact CZ3-CD1 3.41Å; W132-I135 PolarHBondContact O-N 3.46Å; I135-R138 PolarHBondContact O-N 2.71Å; I135-R138 VanDerWaalsContact O-N 3.14Å; I135-L139 WeakPolarHBondContact O-CG 3.37Å; I135-L139 PolarHBondContact O-N 3Å
136V82.5Confident81.4Confident10 Ų1052.9 Ų52.96%0.06125%0.249CC..Hα-helixtrans-60.7-48.3-176175.40000111.7L120 T124 W132 R138 L139 Y140L120-V136 HydrophobicContact CB-CG2 4.18Å; L120-V136 HydrophobicContact CD1-CG2 4.35Å; L120-V136 HydrophobicContact CD2-CG2 4.06Å; L120-V136 HydrophobicContact CG-CG2 4.45Å; T124-V136 HydrophobicContact CG2-CG2 4.02Å; W132-V136 WeakPolarHBondContact O-CB 3.38Å; W132-V136 WeakPolarHBondContact O-CG2 3.42Å; W132-V136 PolarHBondContact O-N 2.83Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.45Å; V136-L139 PolarHBondContact O-N 3.08Å; V136-Y140 WeakPolarHBondContact O-CB 3.4Å; V136-Y140 PolarHBondContact O-N 3.35Å
137P74.5Confident81.9Confident15 Ų1553.8 Ų53.810%0.09725%0.252CS..Hα-helixtrans-52.5-44.3172.9-1612.6000113.6L16 N133 Y140 Q141L16-P137 HydrophobicContact CB-CG 4.39Å; L16-P137 HydrophobicContact CD1-CB 4.39Å; L16-P137 HydrophobicContact CD2-CB 3.62Å; L16-P137 HydrophobicContact CD2-CG 3.46Å; L16-P137 VanDerWaalsContact CD2-CG 3.46Å; L16-P137 HydrophobicContact CG-CB 4.42Å; L16-P137 HydrophobicContact CG-CG 4.4Å; N133-P137 WeakPolarHBondContact O-CD 3.47Å; N133-P137 WeakPolarHBondContact O-CG 3.12Å; P137-Y140 PolarHBondContact O-N 2.71Å; P137-Q141 WeakPolarHBondContact O-CG 3.43Å; P137-Q141 PolarHBondContact O-N 2.88Å
138R82.2Confident82.2Confident133 Ų13353.7 Ų53.750%0.50225%0.25SS..Hα-helixtrans-68-43.4-176.3-68.3178.6-180-167.9-0.9111.4S20 F69 L134 I135 V136 Y140 Q141 K142S20-R138 VanDerWaalsContact CB-NH2 3.34Å; S20-R138 PolarHBondContact OG-NE 2.97Å; S20-R138 VanDerWaalsContact OG-NE 3.13Å; F69-R138 HydrophobicContact CE2-CB 4.48Å; L134-R138 WeakPolarHBondContact O-CG 3.38Å; I135-R138 PolarHBondContact O-N 2.71Å; I135-R138 VanDerWaalsContact O-N 3.14Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.45Å; R138-Y140 VanDerWaalsContact C-N 3.33Å; R138-Q141 PolarHBondContact O-N 3.37Å; R138-K142 WeakPolarHBondContact O-CG 3.15Å; R138-K142 PolarHBondContact O-N 3.06Å; R138-K142 VanDerWaalsContact O-N 3.14Å
139L86.1Confident82.9Confident0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-61.1-44.7174.3-69.6167.9000110.5F69 V72 F117 L120 I135 V136 Q141 K142 F143F69-L139 HydrophobicContact CD2-CD1 4.06Å; F69-L139 HydrophobicContact CD2-CD2 3.61Å; F69-L139 HydrophobicContact CD2-CG 3.72Å; F69-L139 HydrophobicContact CE2-CD2 3.77Å; F69-L139 HydrophobicContact CE2-CG 3.98Å; F69-L139 HydrophobicContact CG-CD2 4.19Å; F69-L139 HydrophobicContact CZ-CD2 4.45Å; V72-L139 HydrophobicContact CB-CD1 4.06Å; V72-L139 HydrophobicContact CB-CD2 4.13Å; V72-L139 HydrophobicContact CG1-CB 4.38Å; V72-L139 HydrophobicContact CG1-CD1 4.13Å; V72-L139 HydrophobicContact CG1-CD2 4.09Å; V72-L139 HydrophobicContact CG1-CG 4.43Å; F117-L139 HydrophobicContact CE1-CB 3.87Å; F117-L139 VanDerWaalsContact CZ-C 3.46Å; F117-L139 HydrophobicContact CZ-CB 3.88Å; F117-L139 WeakPolarHBondContact CZ-O 3.43Å; L120-L139 HydrophobicContact CD1-CD1 3.96Å; I135-L139 WeakPolarHBondContact O-CG 3.37Å; I135-L139 PolarHBondContact O-N 3Å; V136-L139 PolarHBondContact O-N 3.08Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; L139-Q141 PolarHBondContact O-N 3.3Å; L139-K142 WeakPolarHBondContact O-CB 3.3Å; L139-K142 PolarHBondContact O-N 2.92Å; L139-K142 VanDerWaalsContact O-N 3.16Å; L139-F143 PolarHBondContact O-N 2.88Å
140Y82.8Confident83.5Confident76 Ų7655.1 Ų55.130%0.29825%0.249SC..Hα-helixtrans-61.6-41.9179.7-177.1-103.5000112.2F117 V136 P137 R138 K142 F143 K144F117-Y140 HydrophobicContact CD1-CD2 4.33Å; F117-Y140 HydrophobicContact CE1-CD2 4.3Å; V136-Y140 WeakPolarHBondContact O-CB 3.4Å; V136-Y140 PolarHBondContact O-N 3.35Å; P137-Y140 PolarHBondContact O-N 2.71Å; R138-Y140 VanDerWaalsContact C-N 3.33Å; Y140-K142 PolarHBondContact O-N 3.1Å; Y140-F143 PolarHBondContact O-N 3.47Å; Y140-K144 WeakPolarHBondContact O-CB 3.07Å; Y140-K144 PolarHBondContact O-N 2.71Å
141Q79Confident84.2Confident69 Ų6945.2 Ų45.232%0.32221%0.212SC..Hα-helixtrans-62-41.6174.5-69.1-59.5-29.800112.2P137 R138 L139 F143 K144 A145P137-Q141 WeakPolarHBondContact O-CG 3.43Å; P137-Q141 PolarHBondContact O-N 2.88Å; R138-Q141 PolarHBondContact O-N 3.37Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; L139-Q141 PolarHBondContact O-N 3.3Å; Q141-F143 PolarHBondContact O-N 2.58Å; Q141-K144 PolarHBondContact O-N 2.75Å; Q141-A145 WeakPolarHBondContact O-CB 3.09Å; Q141-A145 PolarHBondContact O-N 3Å
142K86.8Confident84.5Confident97 Ų9743.4 Ų43.442%0.42220%0.199SC..Hα-helixtrans-60.2-44.9174.3-71.9-178.2175.3-170.80111.7I76 R138 L139 Y140 A145 A146I76-K142 HydrophobicContact CD1-CB 4.01Å; R138-K142 WeakPolarHBondContact O-CG 3.15Å; R138-K142 PolarHBondContact O-N 3.06Å; R138-K142 VanDerWaalsContact O-N 3.14Å; L139-K142 WeakPolarHBondContact O-CB 3.3Å; L139-K142 PolarHBondContact O-N 2.92Å; L139-K142 VanDerWaalsContact O-N 3.16Å; Y140-K142 PolarHBondContact O-N 3.1Å; K142-A145 PolarHBondContact O-N 3.45Å; K142-A146 WeakPolarHBondContact O-CB 3.4Å; K142-A146 PolarHBondContact O-N 2.96Å
143F88.5Confident84.7Confident10 Ų1046.4 Ų46.44%0.04421%0.211CC..Hα-helixtrans-67-44.1179.2177.4-126.4000112.3I76 Y79 V113 E114 F117 L139 Y140 Q141 A145 A146 R147I76-F143 HydrophobicContact CD1-CB 3.98Å; I76-F143 HydrophobicContact CG1-CB 4.12Å; I76-F143 HydrophobicContact CG1-CD2 4.42Å; Y79-F143 HydrophobicContact CD1-CE2 4.28Å; Y79-F143 HydrophobicContact CD2-CE2 4.41Å; Y79-F143 HydrophobicContact CE1-CE2 4.16Å; Y79-F143 HydrophobicContact CE2-CE2 4.28Å; Y79-F143 HydrophobicContact CG-CE2 4.4Å; V113-F143 HydrophobicContact CB-CD2 4.48Å; V113-F143 HydrophobicContact CB-CE2 4.22Å; V113-F143 HydrophobicContact CG1-CD2 4.11Å; V113-F143 HydrophobicContact CG1-CE2 3.41Å; V113-F143 VanDerWaalsContact CG1-CE2 3.41Å; V113-F143 HydrophobicContact CG1-CZ 3.8Å; V113-F143 HydrophobicContact CG2-CD2 3.52Å; V113-F143 HydrophobicContact CG2-CE2 3.7Å; V113-F143 HydrophobicContact CG2-CG 3.98Å; V113-F143 HydrophobicContact CG2-CZ 4.25Å; E114-F143 HydrophobicContact CG-CE1 4.41Å; E114-F143 HydrophobicContact CG-CZ 4.13Å; F117-F143 HydrophobicContact CD2-CB 4.49Å; F117-F143 AromaticContact CD2-CD1 3.88Å; F117-F143 HydrophobicContact CD2-CD1 3.88Å; F117-F143 HydrophobicContact CD2-CE1 4.4Å; F117-F143 HydrophobicContact CD2-CG 4.26Å; F117-F143 HydrophobicContact CE2-CB 3.47Å; F117-F143 VanDerWaalsContact CE2-CB 3.47Å; F117-F143 AromaticContact CE2-CD1 3.68Å; F117-F143 HydrophobicContact CE2-CD1 3.68Å; F117-F143 HydrophobicContact CE2-CD2 4.49Å; F117-F143 AromaticContact CE2-CG 3.63Å; F117-F143 HydrophobicContact CE2-CG 3.63Å; F117-F143 HydrophobicContact CZ-CB 3.73Å; F117-F143 HydrophobicContact CZ-CD1 4.46Å; F117-F143 HydrophobicContact CZ-CG 4.35Å; L139-F143 PolarHBondContact O-N 2.88Å; Y140-F143 PolarHBondContact O-N 3.47Å; Q141-F143 PolarHBondContact O-N 2.58Å; F143-A145 VanDerWaalsContact C-N 3.3Å; F143-A145 PolarHBondContact O-N 3.18Å; F143-A146 WeakPolarHBondContact O-CB 3.34Å; F143-A146 PolarHBondContact O-N 3.06Å; F143-A146 VanDerWaalsContact O-N 3.16Å; F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 3.22Å
144K82.4Confident85.7Confident52 Ų5245.5 Ų45.523%0.22621%0.206CC..Hα-helixtrans-57.6-43.1175.8-175.6-178.9172.8-167.50111.8Y140 Q141 R148 E244Y140-K144 WeakPolarHBondContact O-CB 3.07Å; Y140-K144 PolarHBondContact O-N 2.71Å; Q141-K144 PolarHBondContact O-N 2.75Å; K144-R148 WeakPolarHBondContact O-CB 3.42Å; K144-R148 PolarHBondContact O-N 2.91Å; K144-R148 VanDerWaalsContact O-N 3.08Å; K144-E244 WeakPolarHBondContact CE-OE1 3.42Å; K144-E244 IonicContact NZ-OE1 2.65Å; K144-E244 PolarHBondContact NZ-OE1 3.39Å
145A84.9Confident86.3Confident41 Ų4144 Ų4434%0.33920%0.201SC..Hα-helixtrans-63.2-48.5174.300000111.5Q141 K142 F143 R147 R148 E149Q141-A145 WeakPolarHBondContact O-CB 3.09Å; Q141-A145 PolarHBondContact O-N 3Å; K142-A145 PolarHBondContact O-N 3.45Å; F143-A145 VanDerWaalsContact C-N 3.3Å; F143-A145 PolarHBondContact O-N 3.18Å; A145-R147 PolarHBondContact O-N 3.06Å; A145-R148 PolarHBondContact O-N 3.46Å; A145-E149 WeakPolarHBondContact O-CB 3.49Å; A145-E149 WeakPolarHBondContact O-CG 3.33Å; A145-E149 PolarHBondContact O-N 2.9Å
146A89.6Confident86.7Confident1 Ų143.3 Ų43.31%0.00820%0.198CC..Hα-helixtrans-57.5-47.2177.500000112.6I76 Y79 Q80 K142 F143 R148 E149 Y150I76-A146 HydrophobicContact CG2-CB 3.84Å; Y79-A146 HydrophobicContact CD1-CB 4.27Å; Y79-A146 HydrophobicContact CE1-CB 4.36Å; Q80-A146 HydrophobicContact CG-CB 3.78Å; K142-A146 WeakPolarHBondContact O-CB 3.4Å; K142-A146 PolarHBondContact O-N 2.96Å; F143-A146 WeakPolarHBondContact O-CB 3.34Å; F143-A146 PolarHBondContact O-N 3.06Å; F143-A146 VanDerWaalsContact O-N 3.16Å; A146-R148 PolarHBondContact O-N 2.96Å; A146-E149 PolarHBondContact O-N 3.09Å; A146-Y150 WeakPolarHBondContact O-CB 3.44Å; A146-Y150 WeakPolarHBondContact O-CD2 3.45Å; A146-Y150 PolarHBondContact O-N 2.75Å
147R90Very high87.2Confident24 Ų2442.8 Ų42.89%0.09120%0.195CC..Hα-helixtrans-62.7-41.5177.8175.2164.9-82.2173.8-5.7112Y79 S110 E114 F143 A145 F151 H152 E623Y79-R147 HydrophobicContact CE1-CB 4.22Å; Y79-R147 WeakPolarHBondContact OH-CG 3.43Å; Y79-R147 PolarHBondContact OH-NE 2.9Å; S110-R147 PolarHBondContact OG-NH2 3.27Å; E114-R147 IonicContact OE1-CZ 3.97Å; E114-R147 IonicContact OE1-NH1 2.63Å; E114-R147 PolarHBondContact OE1-NH1 3.16Å; E114-R147 IonicContact OE1-NH2 3.38Å; E114-R147 PolarHBondContact OE1-NH2 3.23Å; F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 3.22Å; A145-R147 PolarHBondContact O-N 3.06Å; R147-F151 HydrophobicContact CG-CD1 4.45Å; R147-F151 VanDerWaalsContact O-CB 3.27Å; R147-F151 WeakPolarHBondContact O-CB 3.18Å; R147-F151 PolarHBondContact O-N 3.36Å; R147-F151 VanDerWaalsContact O-N 3.15Å; R147-H152 VanDerWaalsContact CG-NE2 3.33Å; R147-H152 WeakPolarHBondContact CG-NE2 3.11Å; R147-H152 PolarHBondContact O-N 3.28Å; R147-E623 IonicContact NH2-OE1 3.25Å; R147-E623 PolarHBondContact NH2-OE1 3.06Å
148R86.3Confident88Confident37 Ų3742.1 Ų42.114%0.1419%0.19CC..Iπ-helixtrans-62.8-48.3175.5-178.1176.7-61.2170.16.9112.4K144 A145 A146 R153 V188 E244K144-R148 WeakPolarHBondContact O-CB 3.42Å; K144-R148 PolarHBondContact O-N 2.91Å; K144-R148 VanDerWaalsContact O-N 3.08Å; A145-R148 PolarHBondContact O-N 3.46Å; A146-R148 PolarHBondContact O-N 2.96Å; R148-R153 HydrophobicContact CG-CG 4.41Å; R148-R153 VanDerWaalsContact O-CB 3.32Å; R148-R153 WeakPolarHBondContact O-CB 3.47Å; R148-R153 VanDerWaalsContact O-CG 3.26Å; R148-R153 WeakPolarHBondContact O-CG 3.46Å; R148-R153 PolarHBondContact O-N 3Å; R148-V188 HydrophobicContact CG-CG1 4.33Å; R148-E244 IonicContact CZ-OE1 3.64Å; R148-E244 IonicContact CZ-OE2 2.74Å; R148-E244 VanDerWaalsContact NH1-CD 3.27Å; R148-E244 IonicContact NH1-OE1 3.58Å; R148-E244 PolarHBondContact NH1-OE1 2.9Å; R148-E244 VanDerWaalsContact NH1-OE1 3.16Å; R148-E244 IonicContact NH1-OE2 3.92Å; R148-E244 PolarHBondContact NH1-OE2 3.46Å; R148-E244 IonicContact NH2-OE1 3.53Å; R148-E244 PolarHBondContact NH2-OE1 3.32Å; R148-E244 IonicContact NH2-OE2 3.39Å
149E89.8Confident88.3Confident106 Ų10637.9 Ų37.950%0.49518%0.176SC..Iπ-helixtrans-75.6-43.2-171.8-72.3176.717500113.3A145 A146A145-E149 WeakPolarHBondContact O-CB 3.49Å; A145-E149 WeakPolarHBondContact O-CG 3.33Å; A145-E149 PolarHBondContact O-N 2.9Å; A146-E149 PolarHBondContact O-N 3.09Å
150Y93.4Very high88.5Confident80 Ų8037.9 Ų37.931%0.31418%0.176SC..Iπ-helixtrans-98.1-18.3-171.1-68.3-102.4000113.4Q80 S84 A146Q80-Y150 HydrophobicContact CB-CD1 3.94Å; Q80-Y150 HydrophobicContact CB-CD2 4.33Å; Q80-Y150 HydrophobicContact CB-CE1 3.94Å; Q80-Y150 HydrophobicContact CB-CE2 4.36Å; Q80-Y150 HydrophobicContact CB-CG 4.14Å; Q80-Y150 HydrophobicContact CG-CD1 4.31Å; Q80-Y150 HydrophobicContact CG-CD2 3.8Å; Q80-Y150 HydrophobicContact CG-CE1 4.35Å; Q80-Y150 HydrophobicContact CG-CE2 3.86Å; Q80-Y150 HydrophobicContact CG-CG 4.05Å; S84-Y150 WeakPolarHBondContact OG-CD1 3.39Å; A146-Y150 WeakPolarHBondContact O-CB 3.44Å; A146-Y150 WeakPolarHBondContact O-CD2 3.45Å; A146-Y150 PolarHBondContact O-N 2.75Å
151F92.7Very high89Confident0 Ų034.3 Ų34.30%016%0.162CC..Iπ-helixtrans-112.5-70.3177.5-173.7-161.8000111.2L83 L106 R147 R153 D154 I157 L161 W181L83-F151 HydrophobicContact CD1-CB 3.71Å; L106-F151 HydrophobicContact CD1-CE2 3.83Å; L106-F151 HydrophobicContact CD1-CZ 3.96Å; L106-F151 HydrophobicContact CD2-CD2 3.95Å; L106-F151 HydrophobicContact CD2-CE2 3.62Å; L106-F151 HydrophobicContact CD2-CZ 4.03Å; L106-F151 HydrophobicContact CG-CE2 4.35Å; L106-F151 HydrophobicContact CG-CZ 4.49Å; R147-F151 HydrophobicContact CG-CD1 4.45Å; R147-F151 VanDerWaalsContact O-CB 3.27Å; R147-F151 WeakPolarHBondContact O-CB 3.18Å; R147-F151 PolarHBondContact O-N 3.36Å; R147-F151 VanDerWaalsContact O-N 3.15Å; F151-R153 VanDerWaalsContact C-N 3.31Å; F151-R153 PolarHBondContact O-N 2.99Å; F151-D154 WeakPolarHBondContact O-CB 3.49Å; F151-D154 PolarHBondContact O-N 3.05Å; F151-I157 HydrophobicContact CD2-CD1 4.38Å; F151-I157 HydrophobicContact CD2-CG2 3.79Å; F151-I157 HydrophobicContact CE2-CG2 3.58Å; F151-L161 HydrophobicContact CE2-CD1 4.18Å; F151-L161 HydrophobicContact CZ-CD1 4.5Å; F151-W181 AromaticContact CE1-CD1 3.88Å; F151-W181 HydrophobicContact CE1-CD2 4.33Å; F151-W181 HydrophobicContact CE1-CG 4.18Å; F151-W181 AromaticContact CE1-NE1 3.83Å; F151-W181 HydrophobicContact CZ-CB 4.22Å; F151-W181 AromaticContact CZ-CD1 3.92Å; F151-W181 AromaticContact CZ-CD2 3.75Å; F151-W181 HydrophobicContact CZ-CD2 3.75Å; F151-W181 AromaticContact CZ-CE2 3.92Å; F151-W181 HydrophobicContact CZ-CE3 4.28Å; F151-W181 AromaticContact CZ-CG 3.74Å; F151-W181 HydrophobicContact CZ-CG 3.74Å
152H89.4Confident89.5Confident21 Ų2131.4 Ų31.410%0.09715%0.149CC..Iπ-helixtrans-65.6-34.5-165.7-58.9-179.6000112.8R147 D184 C185 V188 T190R147-H152 VanDerWaalsContact CG-NE2 3.33Å; R147-H152 WeakPolarHBondContact CG-NE2 3.11Å; R147-H152 PolarHBondContact O-N 3.28Å; H152-D184 IonicContact CE1-OD2 3.59Å; H152-C185 WeakPolarHBondContact O-CA 3.4Å; H152-C185 PolarHBondContact O-SG 3.31Å; H152-C185 VanDerWaalsContact O-SG 3.39Å; H152-V188 HydrophobicContact CB-CG1 4.25Å; H152-V188 HydrophobicContact CB-CG2 3.65Å; H152-V188 WeakPolarHBondContact O-CG2 3.15Å; H152-T190 PolarHBondContact O-OG1 3.07Å
153R89.2Confident89.6Confident65 Ų6528.9 Ų28.925%0.24514%0.142CC..THydrogen-bonded Turntrans-81.1-10.1178.2-76.1-178.5176.8-179.8-2.5114.6R148 F151 S155 V188 T190 H237R148-R153 HydrophobicContact CG-CG 4.41Å; R148-R153 VanDerWaalsContact O-CB 3.32Å; R148-R153 WeakPolarHBondContact O-CB 3.47Å; R148-R153 VanDerWaalsContact O-CG 3.26Å; R148-R153 WeakPolarHBondContact O-CG 3.46Å; R148-R153 PolarHBondContact O-N 3Å; F151-R153 VanDerWaalsContact C-N 3.31Å; F151-R153 PolarHBondContact O-N 2.99Å; R153-S155 PolarHBondContact O-N 2.98Å; R153-V188 HydrophobicContact CG-CB 4.43Å; R153-V188 HydrophobicContact CG-CG2 4.02Å; R153-T190 WeakPolarHBondContact CA-OG1 3.27Å; R153-H237 VanDerWaalsContact CZ-CG 3.5Å; R153-H237 PolarHBondContact NE-CE1 3.4Å; R153-H237 PolarHBondContact NE-ND1 3.05Å; R153-H237 PolarHBondContact NE-NE2 3.5Å; R153-H237 PolarHBondContact NH2-ND1 2.94Å; R153-H237 VanDerWaalsContact NH2-ND1 3.19Å
154D91.1Very high89.7Confident30 Ų3028.5 Ų28.516%0.1614%0.14CC..  trans-75.7115.2-177.4-169-64.4000110.5S87 F151 S156 I157 C158S87-D154 WeakPolarHBondContact CB-OD2 3.41Å; S87-D154 VanDerWaalsContact OG-CG 3.22Å; S87-D154 PolarHBondContact OG-OD1 2.97Å; S87-D154 PolarHBondContact OG-OD2 3.26Å; F151-D154 WeakPolarHBondContact O-CB 3.49Å; F151-D154 PolarHBondContact O-N 3.05Å; D154-S156 VanDerWaalsContact C-N 3.34Å; D154-S156 PolarHBondContact O-N 3.34Å; D154-S156 WeakPolarHBondContact OD1-CA 3.35Å; D154-S156 WeakPolarHBondContact OD1-CB 3.38Å; D154-S156 PolarHBondContact OD1-N 3.38Å; D154-I157 HydrophobicContact CB-CB 4.12Å; D154-I157 HydrophobicContact CB-CD1 3.91Å; D154-I157 HydrophobicContact CB-CG1 4.07Å; D154-I157 PolarHBondContact OD1-N 3.35Å; D154-C158 VanDerWaalsContact O-CB 3.31Å; D154-C158 WeakPolarHBondContact O-CB 3.35Å; D154-C158 PolarHBondContact O-N 3.49Å
155S88.2Confident90.1Very high37 Ų3729.6 Ų29.626%0.25914%0.143SC..Hα-helixtrans-68.6-32.2-17952.70000112.8R153 E159R153-S155 PolarHBondContact O-N 2.98Å; S155-E159 VanDerWaalsContact O-CB 3.32Å; S155-E159 WeakPolarHBondContact O-CB 3.17Å; S155-E159 PolarHBondContact O-N 3.24Å
156S90.5Very high90.1Very high5 Ų532.3 Ų32.34%0.03515%0.148CC..Hα-helixtrans-73.1-42.6-177.5-57.40000111Q91 D154 E159 A160Q91-S156 WeakPolarHBondContact CG-OG 3.49Å; Q91-S156 PolarHBondContact NE2-OG 2.93Å; D154-S156 VanDerWaalsContact C-N 3.34Å; D154-S156 PolarHBondContact O-N 3.34Å; D154-S156 WeakPolarHBondContact OD1-CA 3.35Å; D154-S156 WeakPolarHBondContact OD1-CB 3.38Å; D154-S156 PolarHBondContact OD1-N 3.38Å; S156-E159 PolarHBondContact O-N 3.36Å; S156-A160 PolarHBondContact O-N 3.38Å; S156-A160 VanDerWaalsContact O-N 3.08Å
157I93.5Very high89.9Confident0 Ų034 Ų340%016%0.161CC..Hα-helixtrans-62.8-49.8172.4-61.8175.5000109.5L83 I90 L106 F151 D154 E159 A160 L161L83-I157 HydrophobicContact CD2-CD1 4.47Å; I90-I157 HydrophobicContact CD1-CG1 4.41Å; L106-I157 HydrophobicContact CD1-CG2 4.21Å; L106-I157 HydrophobicContact CD2-CG2 4.21Å; F151-I157 HydrophobicContact CD2-CD1 4.38Å; F151-I157 HydrophobicContact CD2-CG2 3.79Å; F151-I157 HydrophobicContact CE2-CG2 3.58Å; D154-I157 HydrophobicContact CB-CB 4.12Å; D154-I157 HydrophobicContact CB-CD1 3.91Å; D154-I157 HydrophobicContact CB-CG1 4.07Å; D154-I157 PolarHBondContact OD1-N 3.35Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.92Å; I157-A160 WeakPolarHBondContact O-CB 3.27Å; I157-A160 PolarHBondContact O-N 3.49Å; I157-L161 HydrophobicContact CG2-CD1 4.36Å; I157-L161 HydrophobicContact CG2-CG 4.28Å; I157-L161 WeakPolarHBondContact O-CG 3.22Å; I157-L161 PolarHBondContact O-N 3.15Å
158C90.9Very high89.6Confident0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-58.1-41.9179.1-173.80000112.7D154 A160 L161 L162 C185 T190 L194D154-C158 VanDerWaalsContact O-CB 3.31Å; D154-C158 WeakPolarHBondContact O-CB 3.35Å; D154-C158 PolarHBondContact O-N 3.49Å; C158-A160 VanDerWaalsContact C-N 3.32Å; C158-A160 PolarHBondContact O-N 2.84Å; C158-L161 PolarHBondContact O-N 3.42Å; C158-L162 WeakPolarHBondContact O-CB 3.44Å; C158-L162 WeakPolarHBondContact O-CG 3.38Å; C158-L162 PolarHBondContact O-N 3.02Å; C158-C185 HydrophobicContact CB-CB 4.19Å; C158-C185 VanDerWaalsContact SG-CB 3.58Å; C158-T190 HydrophobicContact CB-CG2 3.49Å; C158-T190 VanDerWaalsContact CB-CG2 3.49Å; C158-L194 HydrophobicContact CB-CD1 4.19Å; C158-L194 VanDerWaalsContact SG-CD1 3.58Å
159E88.7Confident89.7Confident45 Ų4545.2 Ų45.221%0.2123%0.226CC..Hα-helixtrans-62.4-39.2175.5-161.8-176.8160.600112.2K97 S155 S156 I157 T163 L194K97-E159 HydrophobicContact CD-CG 4.27Å; K97-E159 WeakPolarHBondContact CE-OE2 3.47Å; K97-E159 IonicContact NZ-OE1 2.74Å; K97-E159 PolarHBondContact NZ-OE1 3.03Å; K97-E159 IonicContact NZ-OE2 3.57Å; K97-E159 PolarHBondContact NZ-OE2 3.32Å; S155-E159 VanDerWaalsContact O-CB 3.32Å; S155-E159 WeakPolarHBondContact O-CB 3.17Å; S155-E159 PolarHBondContact O-N 3.24Å; S156-E159 PolarHBondContact O-N 3.36Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 2.92Å; E159-T163 WeakPolarHBondContact O-CB 3.38Å; E159-T163 PolarHBondContact O-N 3.31Å; E159-T163 PolarHBondContact O-OG1 3.13Å; E159-L194 HydrophobicContact CB-CD2 3.8Å; E159-L194 HydrophobicContact CG-CD2 4.14Å
160A91.8Very high89.6Confident0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-65.9-43.6174.300000111.9I90 K97 I102 S156 I157 C158 L162 T163 L164I90-A160 HydrophobicContact CD1-CB 4.13Å; K97-A160 HydrophobicContact CB-CB 4.33Å; K97-A160 HydrophobicContact CG-CB 4.33Å; I102-A160 HydrophobicContact CD1-CB 3.72Å; S156-A160 PolarHBondContact O-N 3.38Å; S156-A160 VanDerWaalsContact O-N 3.08Å; I157-A160 WeakPolarHBondContact O-CB 3.27Å; I157-A160 PolarHBondContact O-N 3.49Å; C158-A160 VanDerWaalsContact C-N 3.32Å; C158-A160 PolarHBondContact O-N 2.84Å; A160-L162 VanDerWaalsContact C-N 3.35Å; A160-L162 PolarHBondContact O-N 3.2Å; A160-T163 WeakPolarHBondContact O-CB 3.38Å; A160-T163 PolarHBondContact O-N 3.42Å; A160-L164 WeakPolarHBondContact O-CB 3.34Å; A160-L164 VanDerWaalsContact O-CG 3.29Å; A160-L164 WeakPolarHBondContact O-CG 3.5Å; A160-L164 PolarHBondContact O-N 3.42Å
161L91.9Very high89.5Confident0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-58.2-46.5176.1-63.5-178.6000111.9L106 F151 I157 C158 L164 R165 L178 W181 I182L106-L161 HydrophobicContact CD1-CD2 3.76Å; F151-L161 HydrophobicContact CE2-CD1 4.18Å; F151-L161 HydrophobicContact CZ-CD1 4.5Å; I157-L161 HydrophobicContact CG2-CD1 4.36Å; I157-L161 HydrophobicContact CG2-CG 4.28Å; I157-L161 WeakPolarHBondContact O-CG 3.22Å; I157-L161 PolarHBondContact O-N 3.15Å; C158-L161 PolarHBondContact O-N 3.42Å; L161-L164 PolarHBondContact O-N 2.93Å; L161-R165 WeakPolarHBondContact O-CB 3.13Å; L161-R165 PolarHBondContact O-N 3.46Å; L161-L178 HydrophobicContact CB-CD2 4.39Å; L161-L178 HydrophobicContact CD2-CD2 3.62Å; L161-W181 HydrophobicContact CD1-CB 3.71Å; L161-W181 HydrophobicContact CD2-CE3 3.74Å; L161-W181 HydrophobicContact CD2-CZ3 4.26Å; L161-I182 HydrophobicContact CB-CD1 4.43Å; L161-I182 HydrophobicContact CB-CG1 3.89Å
162L89.1Confident89.3Confident8 Ų843.5 Ų43.54%0.04222%0.223CC..Hα-helixtrans-61.4-43.2176-73.7166.6000111.6C158 A160 R165 I182 L194 L208 I212C158-L162 WeakPolarHBondContact O-CB 3.44Å; C158-L162 WeakPolarHBondContact O-CG 3.38Å; C158-L162 PolarHBondContact O-N 3.02Å; A160-L162 VanDerWaalsContact C-N 3.35Å; A160-L162 PolarHBondContact O-N 3.2Å; L162-R165 PolarHBondContact O-N 2.85Å; L162-I182 HydrophobicContact CD2-CD1 4.15Å; L162-I182 HydrophobicContact CD2-CG1 4.29Å; L162-I182 HydrophobicContact CD2-CG2 3.64Å; L162-I182 HydrophobicContact CG-CG2 4.46Å; L162-L194 HydrophobicContact CD1-CD1 3.21Å; L162-L208 HydrophobicContact CD1-CD1 4.15Å; L162-L208 HydrophobicContact CD1-CG 4.43Å; L162-L208 HydrophobicContact CD2-CD2 4.28Å; L162-L208 HydrophobicContact CD2-CG 4.06Å; L162-I212 HydrophobicContact CB-CD1 3.54Å; L162-I212 HydrophobicContact CB-CG1 4.1Å; L162-I212 HydrophobicContact CD2-CD1 3.66Å; L162-I212 HydrophobicContact CD2-CG1 4.36Å; L162-I212 HydrophobicContact CG-CD1 4.11Å; L162-I212 WeakPolarHBondContact O-CD1 3.34Å
163T89.3Confident89.3Confident44 Ų4444.7 Ų44.727%0.2723%0.227SC..Hα-helixtrans-62.6-47.4176.8-58.40000111.3K97 E159 A160 R165 Q166K97-T163 HydrophobicContact CB-CG2 4.19Å; E159-T163 WeakPolarHBondContact O-CB 3.38Å; E159-T163 PolarHBondContact O-N 3.31Å; E159-T163 PolarHBondContact O-OG1 3.13Å; A160-T163 WeakPolarHBondContact O-CB 3.38Å; A160-T163 PolarHBondContact O-N 3.42Å; T163-R165 VanDerWaalsContact C-N 3.29Å; T163-R165 PolarHBondContact O-N 3.15Å; T163-Q166 PolarHBondContact O-N 3.45Å
164L91.4Very high89.4Confident2 Ų243.1 Ų43.11%0.0122%0.223CC..Hα-helixtrans-60.3-40.6178.2-73.7169.5000111.5I102 I103 A160 L161 Q166 S167 L170 L178I102-L164 HydrophobicContact CB-CD1 3.95Å; I102-L164 HydrophobicContact CD1-CD1 4.41Å; I102-L164 HydrophobicContact CG2-CD1 4.13Å; I103-L164 HydrophobicContact CG1-CD1 4.22Å; A160-L164 WeakPolarHBondContact O-CB 3.34Å; A160-L164 VanDerWaalsContact O-CG 3.29Å; A160-L164 WeakPolarHBondContact O-CG 3.5Å; A160-L164 PolarHBondContact O-N 3.42Å; L161-L164 PolarHBondContact O-N 2.93Å; L164-Q166 PolarHBondContact O-N 3.36Å; L164-S167 WeakPolarHBondContact O-CB 3.47Å; L164-S167 PolarHBondContact O-N 2.88Å; L164-L170 WeakPolarHBondContact O-CD1 3.35Å; L164-L178 HydrophobicContact CB-CD1 3.96Å
165R89.8Confident89.3Confident75 Ų7545 Ų4528%0.28323%0.229SC..Hα-helixtrans-58.5-22.7-177.5-174.655.6179.681.30.2114.2L161 L162 T163 L178 D179 I182L161-R165 WeakPolarHBondContact O-CB 3.13Å; L161-R165 PolarHBondContact O-N 3.46Å; L162-R165 PolarHBondContact O-N 2.85Å; T163-R165 VanDerWaalsContact C-N 3.29Å; T163-R165 PolarHBondContact O-N 3.15Å; R165-L178 HydrophobicContact CB-CD1 4.1Å; R165-D179 IonicContact CZ-OD1 3.56Å; R165-D179 IonicContact NE-OD1 3.66Å; R165-D179 PolarHBondContact NE-OD1 2.98Å; R165-D179 IonicContact NE-OD2 2.72Å; R165-D179 IonicContact NH2-OD1 2.77Å; R165-D179 PolarHBondContact NH2-OD1 3.3Å; R165-D179 VanDerWaalsContact NH2-OD1 3.12Å; R165-D179 IonicContact NH2-OD2 2.7Å; R165-D179 PolarHBondContact NH2-OD2 3.02Å; R165-I182 HydrophobicContact CB-CD1 3.86Å; R165-I182 HydrophobicContact CG-CD1 4Å
166Q85.2Confident89.3Confident98 Ų9843.3 Ų43.346%0.45822%0.217SC..THydrogen-bonded Turntrans-82.1-13.9175.2-60.1-168.1-37.900114.1T163 L164 S168 I212T163-Q166 PolarHBondContact O-N 3.45Å; L164-Q166 PolarHBondContact O-N 3.36Å; Q166-S168 PolarHBondContact O-N 3.26Å; Q166-I212 HydrophobicContact CG-CD1 4.45Å; Q166-I212 HydrophobicContact CG-CG2 4.16Å
167S86.4Confident89.2Confident38 Ų3843 Ų4327%0.26622%0.215SC..  trans-65.4127.2-179.1179.40000110.7L164 K169L164-S167 WeakPolarHBondContact O-CB 3.47Å; L164-S167 PolarHBondContact O-N 2.88Å; S167-K169 PolarHBondContact O-N 3.15Å; S167-K169 WeakPolarHBondContact OG-CB 3.39Å; S167-K169 PolarHBondContact OG-N 3.33Å
168S83.8Confident89.1Confident118 Ų11843 Ų4383%0.82522%0.215SC*.THydrogen-bonded Turntrans-69-12.4171.956.20000113.2Q166 L170Q166-S168 PolarHBondContact O-N 3.26Å; S168-L170 VanDerWaalsContact C-N 3.31Å
169K86.9Confident88.9Confident178 Ų17844 Ų4477%0.77422%0.221SC*.THydrogen-bonded Turntrans-77.8-15.5-179.1-59.4-177.9179.1179.10113.5S167S167-K169 PolarHBondContact O-N 3.15Å; S167-K169 WeakPolarHBondContact OG-CB 3.39Å; S167-K169 PolarHBondContact OG-N 3.33Å
170L89.2Confident88.8Confident6 Ų642.3 Ų42.33%0.03121%0.213CC..  trans-73.9134.4-175.9-62.5177.3000111.8I100 I103 L164 S168 E174 K175 L178I100-L170 HydrophobicContact CD1-CD2 3.66Å; I100-L170 HydrophobicContact CG1-CD2 4.07Å; I103-L170 HydrophobicContact CD1-CD2 4.04Å; L164-L170 WeakPolarHBondContact O-CD1 3.35Å; S168-L170 VanDerWaalsContact C-N 3.31Å; L170-E174 VanDerWaalsContact CA-OE2 3.24Å; L170-E174 WeakPolarHBondContact CA-OE2 3.23Å; L170-E174 HydrophobicContact CB-CB 4.22Å; L170-E174 HydrophobicContact CD2-CB 4.04Å; L170-E174 WeakPolarHBondContact CD2-OE2 3.36Å; L170-K175 HydrophobicContact CB-CG 3.99Å; L170-K175 HydrophobicContact CD1-CG 4.38Å; L170-K175 VanDerWaalsContact O-CE 3.26Å; L170-K175 WeakPolarHBondContact O-CE 3.45Å; L170-K175 PolarHBondContact O-NZ 3.14Å; L170-L178 HydrophobicContact CD1-CD1 3.34Å
171D90.3Very high88.7Confident71 Ų7142.3 Ų42.338%0.3821%0.213SC..  trans-72.8178.1168.777.332.8000111.5Y173 E174 K175D171-Y173 WeakPolarHBondContact OD1-CA 3.46Å; D171-Y173 WeakPolarHBondContact OD1-CB 3.22Å; D171-Y173 PolarHBondContact OD1-N 2.79Å; D171-E174 PolarHBondContact N-OE2 3.42Å; D171-E174 WeakPolarHBondContact OD1-CG 3.43Å; D171-E174 PolarHBondContact OD1-N 3.06Å; D171-K175 WeakPolarHBondContact O-CD 3.47Å; D171-K175 VanDerWaalsContact O-CG 3.27Å; D171-K175 WeakPolarHBondContact O-CG 3.38Å; D171-K175 PolarHBondContact O-N 3.24Å; D171-K175 VanDerWaalsContact O-N 3.14Å
172E89.1Confident88.6Confident72 Ų7242.4 Ų42.434%0.33621%0.214SC..Hα-helixtrans-70.7-33.1-178.4-178.4163-116.400113.2K175 G176 I799 R807E172-K175 PolarHBondContact O-N 3.39Å; E172-G176 PolarHBondContact O-N 3.31Å; E172-I799 HydrophobicContact CG-CG1 4.18Å; E172-R807 IonicContact OE1-CZ 2.75Å; E172-R807 IonicContact OE1-NH1 3.95Å; E172-R807 PolarHBondContact OE1-NH1 3.47Å; E172-R807 IonicContact OE1-NH2 3.51Å; E172-R807 PolarHBondContact OE1-NH2 3.28Å; E172-R807 IonicContact OE2-CZ 2.67Å; E172-R807 IonicContact OE2-NH1 3.15Å; E172-R807 PolarHBondContact OE2-NH1 2.98Å; E172-R807 IonicContact OE2-NH2 2.75Å
173Y89Confident88.5Confident47 Ų4743.4 Ų43.418%0.18422%0.217CC..Hα-helixtrans-68.5-43.9178.4-57.9-67.9000110.9D171 G176 L177 V619 P620 Y795 A798D171-Y173 WeakPolarHBondContact OD1-CA 3.46Å; D171-Y173 WeakPolarHBondContact OD1-CB 3.22Å; D171-Y173 PolarHBondContact OD1-N 2.79Å; Y173-G176 PolarHBondContact O-N 3.33Å; Y173-L177 PolarHBondContact O-N 3.44Å; Y173-V619 HydrophobicContact CD1-CB 4.35Å; Y173-V619 HydrophobicContact CD1-CG1 4.08Å; Y173-V619 HydrophobicContact CD1-CG2 4.04Å; Y173-V619 HydrophobicContact CE1-CG2 4Å; Y173-P620 HydrophobicContact CD2-CG 4.05Å; Y173-P620 HydrophobicContact CG-CG 4.09Å; Y173-Y795 AromaticContact CE1-CD1 3.66Å; Y173-Y795 HydrophobicContact CE1-CD1 3.66Å; Y173-Y795 HydrophobicContact CE1-CE1 4.17Å; Y173-A798 HydrophobicContact CD1-CB 3.48Å; Y173-A798 VanDerWaalsContact CD1-CB 3.48Å; Y173-A798 HydrophobicContact CE1-CB 4.12Å; Y173-A798 HydrophobicContact CG-CB 4.49Å
174E90.8Very high88.4Confident32 Ų3242.6 Ų42.615%0.1521%0.211CC..Hα-helixtrans-63.8-41.5176.6-67.2173.5141.900111I103 L170 D171 G176 L177 L178 H621I103-E174 HydrophobicContact CD1-CB 4.33Å; I103-E174 HydrophobicContact CD1-CG 4.42Å; L170-E174 VanDerWaalsContact CA-OE2 3.24Å; L170-E174 WeakPolarHBondContact CA-OE2 3.23Å; L170-E174 HydrophobicContact CB-CB 4.22Å; L170-E174 HydrophobicContact CD2-CB 4.04Å; L170-E174 WeakPolarHBondContact CD2-OE2 3.36Å; D171-E174 PolarHBondContact N-OE2 3.42Å; D171-E174 WeakPolarHBondContact OD1-CG 3.43Å; D171-E174 PolarHBondContact OD1-N 3.06Å; E174-G176 PolarHBondContact O-N 3.18Å; E174-L177 PolarHBondContact O-N 3.42Å; E174-L178 WeakPolarHBondContact O-CB 3.4Å; E174-L178 VanDerWaalsContact O-CG 3.29Å; E174-L178 WeakPolarHBondContact O-CG 3.44Å; E174-L178 PolarHBondContact O-N 3.45Å; E174-H621 WeakPolarHBondContact CG-NE2 3.46Å
175K90.2Very high88.4Confident70 Ų7042.5 Ų42.530%0.30421%0.211SC..Hα-helixtrans-60.3-45.2174.3-76.1168-176.1154.10111.9L170 D171 E172 L178 D179L170-K175 HydrophobicContact CB-CG 3.99Å; L170-K175 HydrophobicContact CD1-CG 4.38Å; L170-K175 VanDerWaalsContact O-CE 3.26Å; L170-K175 WeakPolarHBondContact O-CE 3.45Å; L170-K175 PolarHBondContact O-NZ 3.14Å; D171-K175 WeakPolarHBondContact O-CD 3.47Å; D171-K175 VanDerWaalsContact O-CG 3.27Å; D171-K175 WeakPolarHBondContact O-CG 3.38Å; D171-K175 PolarHBondContact O-N 3.24Å; D171-K175 VanDerWaalsContact O-N 3.14Å; E172-K175 PolarHBondContact O-N 3.39Å; K175-L178 PolarHBondContact O-N 3.13Å; K175-D179 PolarHBondContact O-N 3.48Å
176G87.6Confident88.4Confident0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-62.2-42.2176.600000112.9E172 Y173 E174 D179 V180 Y401E172-G176 PolarHBondContact O-N 3.31Å; Y173-G176 PolarHBondContact O-N 3.33Å; E174-G176 PolarHBondContact O-N 3.18Å; G176-D179 PolarHBondContact O-N 2.99Å; G176-V180 WeakPolarHBondContact O-CG2 3.18Å; G176-V180 PolarHBondContact O-N 3.49Å; G176-V180 VanDerWaalsContact O-N 3.14Å; G176-Y401 WeakPolarHBondContact CA-OH 3.38Å
177L88.4Confident88.5Confident0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-62.2-47.5176.2-177.966000111.6I103 E107 Y173 E174 D179 V180 W181 H621 E623 L624I103-L177 HydrophobicContact CG2-CD2 3.8Å; E107-L177 HydrophobicContact CG-CD2 4.44Å; Y173-L177 PolarHBondContact O-N 3.44Å; E174-L177 PolarHBondContact O-N 3.42Å; L177-D179 PolarHBondContact O-N 2.57Å; L177-V180 PolarHBondContact O-N 3.06Å; L177-W181 HydrophobicContact CD1-CD2 4.21Å; L177-W181 HydrophobicContact CD1-CH2 4.27Å; L177-W181 HydrophobicContact CD1-CZ2 3.74Å; L177-W181 HydrophobicContact CD2-CE3 4.42Å; L177-W181 HydrophobicContact CD2-CH2 3.55Å; L177-W181 HydrophobicContact CD2-CZ2 3.88Å; L177-W181 HydrophobicContact CD2-CZ3 3.84Å; L177-W181 HydrophobicContact CG-CD2 4.05Å; L177-W181 HydrophobicContact CG-CE3 4.05Å; L177-W181 HydrophobicContact CG-CH2 3.92Å; L177-W181 HydrophobicContact CG-CZ2 3.9Å; L177-W181 HydrophobicContact CG-CZ3 3.98Å; L177-W181 PolarHBondContact O-N 3.4Å; L177-H621 HydrophobicContact CD1-CB 4.42Å; L177-H621 HydrophobicContact CD2-CB 3.96Å; L177-E623 HydrophobicContact CD1-CB 4Å; L177-L624 HydrophobicContact CB-CD1 3.94Å; L177-L624 HydrophobicContact CB-CG 4.24Å; L177-L624 HydrophobicContact CD1-CD2 4.4Å; L177-L624 HydrophobicContact CD1-CG 4Å
178L90.8Very high88.6Confident0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-62.3-42.4177.4-70.7-178.7000111.7I103 L161 L164 R165 L170 E174 K175 V180 W181 I182I103-L178 HydrophobicContact CD1-CD1 4.37Å; I103-L178 HydrophobicContact CD1-CD2 4.22Å; I103-L178 HydrophobicContact CD1-CG 4.34Å; I103-L178 HydrophobicContact CG1-CD2 4.2Å; L161-L178 HydrophobicContact CB-CD2 4.39Å; L161-L178 HydrophobicContact CD2-CD2 3.62Å; L164-L178 HydrophobicContact CB-CD1 3.96Å; R165-L178 HydrophobicContact CB-CD1 4.1Å; L170-L178 HydrophobicContact CD1-CD1 3.34Å; E174-L178 WeakPolarHBondContact O-CB 3.4Å; E174-L178 VanDerWaalsContact O-CG 3.29Å; E174-L178 WeakPolarHBondContact O-CG 3.44Å; E174-L178 PolarHBondContact O-N 3.45Å; K175-L178 PolarHBondContact O-N 3.13Å; L178-V180 VanDerWaalsContact C-N 3.27Å; L178-V180 PolarHBondContact O-N 3.48Å; L178-W181 HydrophobicContact CD2-CE3 4.14Å; L178-W181 PolarHBondContact O-N 3.36Å; L178-I182 HydrophobicContact CB-CD1 4.27Å; L178-I182 VanDerWaalsContact O-CB 3.28Å; L178-I182 WeakPolarHBondContact O-CB 3.21Å; L178-I182 WeakPolarHBondContact O-CD1 3.34Å; L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 3.3Å
179D87.5Confident88.8Confident21 Ų2128.3 Ų28.311%0.11213%0.133CC..Hα-helixtrans-58.8-41.4177.9-71.9-22.2000111.5R165 K175 G176 L177 Y183 Y401R165-D179 IonicContact CZ-OD1 3.56Å; R165-D179 IonicContact NE-OD1 3.66Å; R165-D179 PolarHBondContact NE-OD1 2.98Å; R165-D179 IonicContact NE-OD2 2.72Å; R165-D179 IonicContact NH2-OD1 2.77Å; R165-D179 PolarHBondContact NH2-OD1 3.3Å; R165-D179 VanDerWaalsContact NH2-OD1 3.12Å; R165-D179 IonicContact NH2-OD2 2.7Å; R165-D179 PolarHBondContact NH2-OD2 3.02Å; K175-D179 PolarHBondContact O-N 3.48Å; G176-D179 PolarHBondContact O-N 2.99Å; L177-D179 PolarHBondContact O-N 2.57Å; D179-Y183 WeakPolarHBondContact O-CB 2.93Å; D179-Y183 PolarHBondContact O-N 2.57Å; D179-Y401 HydrophobicContact CB-CD2 4.16Å; D179-Y401 HydrophobicContact CB-CE2 3.34Å; D179-Y401 PolarHBondContact OD2-OH 3.16Å
180V85.5Confident88.7Confident9 Ų919.9 Ų19.96%0.05510%0.096CC..Hα-helixtrans-64.2-49.1176.5168.90000111.3G176 L177 L178 Y183 D184 Y401 L624 Y630G176-V180 WeakPolarHBondContact O-CG2 3.18Å; G176-V180 PolarHBondContact O-N 3.49Å; G176-V180 VanDerWaalsContact O-N 3.14Å; L177-V180 PolarHBondContact O-N 3.06Å; L178-V180 VanDerWaalsContact C-N 3.27Å; L178-V180 PolarHBondContact O-N 3.48Å; V180-Y183 WeakPolarHBondContact O-CB 3.34Å; V180-Y183 PolarHBondContact O-N 3.14Å; V180-D184 PolarHBondContact O-N 2.93Å; V180-Y401 HydrophobicContact CG2-CD2 4.36Å; V180-Y401 HydrophobicContact CG2-CG 4.2Å; V180-L624 HydrophobicContact CG2-CD2 4Å; V180-Y630 HydrophobicContact CG1-CD1 3.42Å; V180-Y630 VanDerWaalsContact CG1-CD1 3.42Å; V180-Y630 HydrophobicContact CG1-CE1 3.2Å
181W89.7Confident88.2Confident0 Ų019.7 Ų19.70%010%0.096CC..Hα-helixtrans-65.7-40.7178.7-71.2-21.2000113.1I103 L106 E107 F151 L161 L177 L178 Y183 D184 C185 E623I103-W181 HydrophobicContact CG2-CH2 4.32Å; I103-W181 HydrophobicContact CG2-CZ3 4.21Å; L106-W181 HydrophobicContact CB-CH2 3.63Å; L106-W181 HydrophobicContact CB-CZ2 4.22Å; L106-W181 HydrophobicContact CB-CZ3 4.08Å; L106-W181 HydrophobicContact CD1-CE3 3.98Å; L106-W181 HydrophobicContact CD1-CH2 4.04Å; L106-W181 HydrophobicContact CD1-CZ3 3.6Å; L106-W181 HydrophobicContact CG-CH2 4.5Å; L106-W181 HydrophobicContact CG-CZ3 4.5Å; E107-W181 HydrophobicContact CG-CH2 4.06Å; E107-W181 HydrophobicContact CG-CZ2 4.34Å; F151-W181 AromaticContact CE1-CD1 3.88Å; F151-W181 HydrophobicContact CE1-CD2 4.33Å; F151-W181 HydrophobicContact CE1-CG 4.18Å; F151-W181 AromaticContact CE1-NE1 3.83Å; F151-W181 HydrophobicContact CZ-CB 4.22Å; F151-W181 AromaticContact CZ-CD1 3.92Å; F151-W181 AromaticContact CZ-CD2 3.75Å; F151-W181 HydrophobicContact CZ-CD2 3.75Å; F151-W181 AromaticContact CZ-CE2 3.92Å; F151-W181 HydrophobicContact CZ-CE3 4.28Å; F151-W181 AromaticContact CZ-CG 3.74Å; F151-W181 HydrophobicContact CZ-CG 3.74Å; L161-W181 HydrophobicContact CD1-CB 3.71Å; L161-W181 HydrophobicContact CD2-CE3 3.74Å; L161-W181 HydrophobicContact CD2-CZ3 4.26Å; L177-W181 HydrophobicContact CD1-CD2 4.21Å; L177-W181 HydrophobicContact CD1-CH2 4.27Å; L177-W181 HydrophobicContact CD1-CZ2 3.74Å; L177-W181 HydrophobicContact CD2-CE3 4.42Å; L177-W181 HydrophobicContact CD2-CH2 3.55Å; L177-W181 HydrophobicContact CD2-CZ2 3.88Å; L177-W181 HydrophobicContact CD2-CZ3 3.84Å; L177-W181 HydrophobicContact CG-CD2 4.05Å; L177-W181 HydrophobicContact CG-CE3 4.05Å; L177-W181 HydrophobicContact CG-CH2 3.92Å; L177-W181 HydrophobicContact CG-CZ2 3.9Å; L177-W181 HydrophobicContact CG-CZ3 3.98Å; L177-W181 PolarHBondContact O-N 3.4Å; L178-W181 HydrophobicContact CD2-CE3 4.14Å; L178-W181 PolarHBondContact O-N 3.36Å; W181-Y183 VanDerWaalsContact C-N 3.3Å; W181-Y183 PolarHBondContact O-N 3.34Å; W181-D184 PolarHBondContact O-N 3.07Å; W181-C185 WeakPolarHBondContact O-CB 3.24Å; W181-C185 PolarHBondContact O-N 2.92Å; W181-C185 PolarHBondContact O-SG 3.4Å; W181-E623 PolarHBondContact NE1-OE2 3.42Å
182I90.3Very high87.6Confident1 Ų116.8 Ų16.81%0.0058%0.08CC..Hα-helixtrans-63.5-40.4177-67.5163.8000109.8L161 L162 R165 L178 C185 W186 F205 L208L161-I182 HydrophobicContact CB-CD1 4.43Å; L161-I182 HydrophobicContact CB-CG1 3.89Å; L162-I182 HydrophobicContact CD2-CD1 4.15Å; L162-I182 HydrophobicContact CD2-CG1 4.29Å; L162-I182 HydrophobicContact CD2-CG2 3.64Å; L162-I182 HydrophobicContact CG-CG2 4.46Å; R165-I182 HydrophobicContact CB-CD1 3.86Å; R165-I182 HydrophobicContact CG-CD1 4Å; L178-I182 HydrophobicContact CB-CD1 4.27Å; L178-I182 VanDerWaalsContact O-CB 3.28Å; L178-I182 WeakPolarHBondContact O-CB 3.21Å; L178-I182 WeakPolarHBondContact O-CD1 3.34Å; L178-I182 WeakPolarHBondContact O-CG1 3.28Å; L178-I182 PolarHBondContact O-N 3.3Å; I182-C185 PolarHBondContact O-N 3.3Å; I182-W186 WeakPolarHBondContact O-CB 3.34Å; I182-W186 PolarHBondContact O-N 2.57Å; I182-F205 HydrophobicContact CG2-CE2 3.93Å; I182-F205 HydrophobicContact CG2-CZ 4.47Å; I182-L208 HydrophobicContact CG2-CD2 4.18Å
183Y87.9Confident86.9Confident30 Ų3015 Ų1512%0.1187%0.073CC..Hα-helixtrans-60.8-46.2172.8176.5-96000111.8D179 V180 W181 C185 W186 S187 F205 V395 S399D179-Y183 WeakPolarHBondContact O-CB 2.93Å; D179-Y183 PolarHBondContact O-N 2.57Å; V180-Y183 WeakPolarHBondContact O-CB 3.34Å; V180-Y183 PolarHBondContact O-N 3.14Å; W181-Y183 VanDerWaalsContact C-N 3.3Å; W181-Y183 PolarHBondContact O-N 3.34Å; Y183-C185 PolarHBondContact O-N 3.43Å; Y183-W186 AromaticContact CD2-CE3 3.87Å; Y183-W186 HydrophobicContact CD2-CE3 3.87Å; Y183-W186 HydrophobicContact CD2-CZ3 4.07Å; Y183-W186 AromaticContact CE2-CE3 3.83Å; Y183-W186 HydrophobicContact CE2-CE3 3.83Å; Y183-W186 AromaticContact CE2-CZ3 3.56Å; Y183-W186 HydrophobicContact CE2-CZ3 3.56Å; Y183-W186 PolarHBondContact O-N 3.48Å; Y183-S187 WeakPolarHBondContact O-CB 3.4Å; Y183-S187 PolarHBondContact O-N 3.12Å; Y183-F205 HydrophobicContact CD2-CD2 4.4Å; Y183-F205 HydrophobicContact CD2-CE2 4.32Å; Y183-V395 PolarHBondContact OH-O 2.87Å; Y183-S399 VanDerWaalsContact CE2-CB 3.46Å
184D87.4Confident86.2Confident27 Ų2713.8 Ų13.814%0.1447%0.069CC..Hα-helixtrans-62.1-41.5178.8-81.5-17.8000111.8H152 V180 W181 S187 V188H152-D184 IonicContact CE1-OD2 3.59Å; V180-D184 PolarHBondContact O-N 2.93Å; W181-D184 PolarHBondContact O-N 3.07Å; D184-S187 PolarHBondContact O-N 2.95Å; D184-S187 PolarHBondContact O-OG 3.05Å; D184-V188 PolarHBondContact O-N 3.4Å
185C90.3Very high85.1Confident0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-62.7-47.2171.8-74.10000112.5H152 C158 W181 I182 Y183 S187 V188 T190H152-C185 WeakPolarHBondContact O-CA 3.4Å; H152-C185 PolarHBondContact O-SG 3.31Å; H152-C185 VanDerWaalsContact O-SG 3.39Å; C158-C185 HydrophobicContact CB-CB 4.19Å; C158-C185 VanDerWaalsContact SG-CB 3.58Å; W181-C185 WeakPolarHBondContact O-CB 3.24Å; W181-C185 PolarHBondContact O-N 2.92Å; W181-C185 PolarHBondContact O-SG 3.4Å; I182-C185 PolarHBondContact O-N 3.3Å; Y183-C185 PolarHBondContact O-N 3.43Å; C185-S187 VanDerWaalsContact C-N 3.32Å; C185-S187 PolarHBondContact O-N 3.47Å; C185-V188 VanDerWaalsContact O-CG2 3.22Å; C185-V188 WeakPolarHBondContact O-CG2 3.25Å; C185-V188 PolarHBondContact O-N 3.05Å; C185-T190 WeakPolarHBondContact O-CB 3.24Å; C185-T190 PolarHBondContact O-N 3.38Å; C185-T190 VanDerWaalsContact O-N 3.08Å; C185-T190 PolarHBondContact O-OG1 3.19Å; C185-T190 VanDerWaalsContact O-OG1 3.12Å
186W90.4Very high83.6Confident4 Ų49.3 Ų9.32%0.0155%0.05CC..Hα-helixtrans-60.6-43.2177.2168.879.5000111.3I182 Y183 V188 G189 I203 F205 L208 L387 V395I182-W186 WeakPolarHBondContact O-CB 3.34Å; I182-W186 PolarHBondContact O-N 2.57Å; Y183-W186 AromaticContact CD2-CE3 3.87Å; Y183-W186 HydrophobicContact CD2-CE3 3.87Å; Y183-W186 HydrophobicContact CD2-CZ3 4.07Å; Y183-W186 AromaticContact CE2-CE3 3.83Å; Y183-W186 HydrophobicContact CE2-CE3 3.83Å; Y183-W186 AromaticContact CE2-CZ3 3.56Å; Y183-W186 HydrophobicContact CE2-CZ3 3.56Å; Y183-W186 PolarHBondContact O-N 3.48Å; W186-V188 PolarHBondContact O-N 3.02Å; W186-V188 VanDerWaalsContact O-N 3.16Å; W186-G189 PolarHBondContact O-N 3.33Å; W186-I203 PolarHBondContact NE1-O 2.91Å; W186-F205 HydrophobicContact CB-CD2 3.86Å; W186-F205 HydrophobicContact CB-CE2 4.35Å; W186-F205 HydrophobicContact CD2-CB 3.83Å; W186-F205 AromaticContact CD2-CD2 3.85Å; W186-F205 HydrophobicContact CD2-CD2 3.85Å; W186-F205 HydrophobicContact CD2-CG 4.28Å; W186-F205 HydrophobicContact CE3-CB 4.15Å; W186-F205 HydrophobicContact CE3-CD2 4.05Å; W186-F205 HydrophobicContact CE3-CG 4.41Å; W186-F205 HydrophobicContact CG-CB 4.31Å; W186-F205 AromaticContact CG-CD2 3.76Å; W186-F205 HydrophobicContact CG-CD2 3.76Å; W186-F205 HydrophobicContact CH2-CB 4.24Å; W186-F205 HydrophobicContact CZ2-CB 3.94Å; W186-F205 HydrophobicContact CZ3-CB 4.35Å; W186-L208 HydrophobicContact CB-CD2 3.96Å; W186-L208 HydrophobicContact CG-CD2 4.35Å; W186-L387 HydrophobicContact CH2-CB 4.4Å; W186-L387 HydrophobicContact CZ2-CB 3.92Å; W186-L387 WeakPolarHBondContact CZ2-O 3.42Å; W186-L387 WeakPolarHBondContact O-CD2 3.38Å; W186-V395 HydrophobicContact CH2-CG1 4.08Å; W186-V395 HydrophobicContact CZ3-CG1 4.04Å
187S87.6Confident81.9Confident18 Ų1813 Ų1313%0.1267%0.07CC..Hα-helixtrans-59.4-31.1-176.679.90000112.5Y183 D184 C185 Y240Y183-S187 WeakPolarHBondContact O-CB 3.4Å; Y183-S187 PolarHBondContact O-N 3.12Å; D184-S187 PolarHBondContact O-N 2.95Å; D184-S187 PolarHBondContact O-OG 3.05Å; C185-S187 VanDerWaalsContact C-N 3.32Å; C185-S187 PolarHBondContact O-N 3.47Å; S187-Y240 WeakPolarHBondContact O-CE2 3.15Å; S187-Y240 VanDerWaalsContact O-CZ 3.23Å; S187-Y240 PolarHBondContact O-OH 3.29Å
188V87.7Confident80.3Confident7 Ų717 Ų174%0.0429%0.087CC..THydrogen-bonded Turntrans-90.13177.8-58.90000113.7R148 H152 R153 D184 C185 W186 T190 H237R148-V188 HydrophobicContact CG-CG1 4.33Å; H152-V188 HydrophobicContact CB-CG1 4.25Å; H152-V188 HydrophobicContact CB-CG2 3.65Å; H152-V188 WeakPolarHBondContact O-CG2 3.15Å; R153-V188 HydrophobicContact CG-CB 4.43Å; R153-V188 HydrophobicContact CG-CG2 4.02Å; D184-V188 PolarHBondContact O-N 3.4Å; C185-V188 VanDerWaalsContact O-CG2 3.22Å; C185-V188 WeakPolarHBondContact O-CG2 3.25Å; C185-V188 PolarHBondContact O-N 3.05Å; W186-V188 PolarHBondContact O-N 3.02Å; W186-V188 VanDerWaalsContact O-N 3.16Å; V188-T190 WeakPolarHBondContact CG2-OG1 3.3Å; V188-H237 PolarHBondContact O-CE1 3.42Å; V188-H237 PolarHBondContact O-ND1 3.49Å
189G87.9Confident78.6Confident1 Ų120.9 Ų20.91%0.0111%0.114CC..THydrogen-bonded Turntrans95.75.7176.100000115.2W186 G191 L192W186-G189 PolarHBondContact O-N 3.33Å; G189-G191 PolarHBondContact O-N 3.22Å; G189-L192 VanDerWaalsContact O-CB 3.32Å; G189-L192 WeakPolarHBondContact O-CB 3.02Å; G189-L192 PolarHBondContact O-N 3.39Å
190T85.1Confident77.3Confident1 Ų121 Ų211%0.00612%0.121CC..Hα-helixtrans-64.6-27.6-176.3-520000112.5H152 R153 C158 C185 V188 L192 L193 L194H152-T190 PolarHBondContact O-OG1 3.07Å; R153-T190 WeakPolarHBondContact CA-OG1 3.27Å; C158-T190 HydrophobicContact CB-CG2 3.49Å; C158-T190 VanDerWaalsContact CB-CG2 3.49Å; C185-T190 WeakPolarHBondContact O-CB 3.24Å; C185-T190 PolarHBondContact O-N 3.38Å; C185-T190 VanDerWaalsContact O-N 3.08Å; C185-T190 PolarHBondContact O-OG1 3.19Å; C185-T190 VanDerWaalsContact O-OG1 3.12Å; V188-T190 WeakPolarHBondContact CG2-OG1 3.3Å; T190-L192 PolarHBondContact O-N 2.96Å; T190-L193 WeakPolarHBondContact O-CB 3.23Å; T190-L193 PolarHBondContact O-N 2.96Å; T190-L193 VanDerWaalsContact O-N 3.08Å; T190-L194 PolarHBondContact O-N 2.83Å
191G78.8Confident76.4Confident2 Ų226.3 Ų26.32%0.02114%0.143CC..Hα-helixtrans-58.3-32.7171.800000113.4G189 L194 A195G189-G191 PolarHBondContact O-N 3.22Å; G191-L194 PolarHBondContact O-N 2.85Å; G191-A195 WeakPolarHBondContact O-CB 3.3Å; G191-A195 PolarHBondContact O-N 2.69Å
192L76.9Confident75.6Confident11 Ų1129 Ų296%0.05816%0.157CC..Hα-helixtrans-65.8-38.7175.2-64.5178.4000111.7G189 T190 L194 S196 I202 I236G189-L192 VanDerWaalsContact O-CB 3.32Å; G189-L192 WeakPolarHBondContact O-CB 3.02Å; G189-L192 PolarHBondContact O-N 3.39Å; T190-L192 PolarHBondContact O-N 2.96Å; L192-L194 VanDerWaalsContact C-N 3.32Å; L192-L194 PolarHBondContact O-N 2.83Å; L192-S196 WeakPolarHBondContact O-CB 3.37Å; L192-S196 PolarHBondContact O-N 3.2Å; L192-I202 HydrophobicContact CD2-CB 4.25Å; L192-I202 HydrophobicContact CD2-CG1 4.1Å; L192-I202 HydrophobicContact CD2-CG2 4.42Å; L192-I236 HydrophobicContact CD1-CD1 3.46Å; L192-I236 VanDerWaalsContact CD1-CD1 3.46Å; L192-I236 HydrophobicContact CG-CD1 4.49Å
193L75.3Confident74.8Confident33 Ų3329.3 Ų29.317%0.17316%0.158CC..Hα-helixtrans-61.5-43.7177.6-72.3171000110.9T190 S196 T225 L233T190-L193 WeakPolarHBondContact O-CB 3.23Å; T190-L193 PolarHBondContact O-N 2.96Å; T190-L193 VanDerWaalsContact O-N 3.08Å; L193-S196 PolarHBondContact O-N 3.04Å; L193-S196 PolarHBondContact O-OG 2.69Å; L193-T225 HydrophobicContact CD2-CG2 4.17Å; L193-L233 HydrophobicContact CD1-CD2 3.91Å; L193-L233 HydrophobicContact CD2-CD2 3.56Å; L193-L233 HydrophobicContact CG-CD2 3.75Å
194L74.8Confident74.5Confident23 Ų2328.7 Ų28.712%0.1216%0.159CC..Hα-helixtrans-69-44.1-179.7-63.5177.5000112.4C158 E159 L162 T190 G191 L192 S196 N197C158-L194 HydrophobicContact CB-CD1 4.19Å; C158-L194 VanDerWaalsContact SG-CD1 3.58Å; E159-L194 HydrophobicContact CB-CD2 3.8Å; E159-L194 HydrophobicContact CG-CD2 4.14Å; L162-L194 HydrophobicContact CD1-CD1 3.21Å; T190-L194 PolarHBondContact O-N 2.83Å; G191-L194 PolarHBondContact O-N 2.85Å; L192-L194 VanDerWaalsContact C-N 3.32Å; L192-L194 PolarHBondContact O-N 2.83Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 2.74Å; L194-N197 WeakPolarHBondContact O-CB 3.08Å; L194-N197 PolarHBondContact O-N 2.67Å
195A67.6Low74.2Confident1 Ų128.2 Ų28.21%0.00816%0.156CC..Hα-helixtrans-69.9-26.4177.800000114.4G191 N197 K198 S199 G200 I203 I211G191-A195 WeakPolarHBondContact O-CB 3.3Å; G191-A195 PolarHBondContact O-N 2.69Å; A195-N197 PolarHBondContact O-N 3Å; A195-K198 PolarHBondContact O-N 3.28Å; A195-S199 PolarHBondContact O-N 2.93Å; A195-G200 PolarHBondContact O-N 2.76Å; A195-I203 HydrophobicContact CB-CD1 3.05Å; A195-I203 HydrophobicContact CB-CG1 4.41Å; A195-I211 HydrophobicContact CB-CD1 4.48Å
196S57.5Low73.6Confident6 Ų631.8 Ų31.84%0.04218%0.181CC..Hα-helixtrans-60-25.4177.181.40000112.1L192 L193 L194 K198 P226 A229L192-S196 WeakPolarHBondContact O-CB 3.37Å; L192-S196 PolarHBondContact O-N 3.2Å; L193-S196 PolarHBondContact O-N 3.04Å; L193-S196 PolarHBondContact O-OG 2.69Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 2.74Å; S196-K198 PolarHBondContact O-N 2.9Å; S196-P226 WeakPolarHBondContact O-CD 2.97Å; S196-P226 WeakPolarHBondContact O-CG 3.41Å; S196-A229 VanDerWaalsContact CB-CB 3.45Å
197N53.3Low73Confident77 Ų7734.5 Ų34.541%0.41219%0.193SC..THydrogen-bonded Turntrans-69-9.4173.9-64.8-24.4000113.6L194 A195L194-N197 WeakPolarHBondContact O-CB 3.08Å; L194-N197 PolarHBondContact O-N 2.67Å; A195-N197 PolarHBondContact O-N 3Å
198K53.3Low72.5Confident85 Ų8533.9 Ų33.937%0.3719%0.188SC..THydrogen-bonded Turntrans-136.5-26.2-175.3-66.3-165.8167.8-155.60116.8A195 S196 E214 T215 T218A195-K198 PolarHBondContact O-N 3.28Å; S196-K198 PolarHBondContact O-N 2.9Å; K198-E214 PolarHBondContact NZ-O 3.22Å; K198-T215 HydrophobicContact CD-CG2 4.29Å; K198-T215 VanDerWaalsContact NZ-CA 3.33Å; K198-T218 WeakPolarHBondContact CE-OG1 3.5Å; K198-T218 PolarHBondContact NZ-OG1 2.83Å
199S56.8Low71.6Confident81 Ų8136.4 Ų36.457%0.56620%0.202SC*.THydrogen-bonded Turntrans-151.9-16.3-178.768.30000116.2A195 K201A195-S199 PolarHBondContact O-N 2.93Å; S199-K201 PolarHBondContact O-N 3.49Å; S199-K201 PolarHBondContact OG-N 3.33Å
200G59.5Low70.7Confident24 Ų2441 Ų4125%0.24723%0.226CC..  trans61.510-175.500000114.5A195A195-G200 PolarHBondContact O-N 2.76Å
201K67.6Low69.6Low121 Ų12142.9 Ų42.953%0.52624%0.236SC..  trans-77.9144.5179.9-163.7-167172.8-157.90109.7S199 I203 E207S199-K201 PolarHBondContact O-N 3.49Å; S199-K201 PolarHBondContact OG-N 3.33Å; K201-I203 WeakPolarHBondContact O-CD1 3.29Å; K201-E207 IonicContact NZ-OE1 3.93Å; K201-E207 PolarHBondContact NZ-OE1 2.67Å
202I72.9Confident68.5Low55 Ų5543.7 Ų43.728%0.28224%0.239SC..  trans-66.3131.8165.5-67.1165.2000108.2L192 Y386 G388L192-I202 HydrophobicContact CD2-CB 4.25Å; L192-I202 HydrophobicContact CD2-CG1 4.1Å; L192-I202 HydrophobicContact CD2-CG2 4.42Å; I202-Y386 HydrophobicContact CD1-CD1 4.24Å; I202-Y386 VanDerWaalsContact CG2-O 3.25Å; I202-Y386 WeakPolarHBondContact CG2-O 3.41Å; I202-G388 VanDerWaalsContact CG2-N 3.26Å
203I72.8Confident67.2Low8 Ų850 Ų504%0.04127%0.269CS..  trans-126126.4-171.4-84.5146.9000110.3W186 A195 K201 E207 L208 I211W186-I203 PolarHBondContact NE1-O 2.91Å; A195-I203 HydrophobicContact CB-CD1 3.05Å; A195-I203 HydrophobicContact CB-CG1 4.41Å; K201-I203 WeakPolarHBondContact O-CD1 3.29Å; I203-E207 HydrophobicContact CB-CB 4.45Å; I203-E207 HydrophobicContact CG1-CB 4.4Å; I203-E207 HydrophobicContact CG2-CB 3.74Å; I203-L208 HydrophobicContact CG2-CB 3.98Å; I203-I211 HydrophobicContact CB-CD1 4.33Å; I203-I211 HydrophobicContact CD1-CD1 3.22Å; I203-I211 HydrophobicContact CG1-CD1 3.77Å; I203-I211 HydrophobicContact CG2-CD1 3.73Å
204S80.5Confident66Low18 Ų1855.1 Ų55.113%0.12629%0.292CS..  trans-66.1161.5170.760.20000111.1S206 E207 L208S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.39Å; S204-S206 PolarHBondContact OG-OG 3.18Å; S204-S206 VanDerWaalsContact OG-OG 3.11Å; S204-E207 WeakPolarHBondContact CB-OE2 3.46Å; S204-E207 PolarHBondContact N-OE2 3.15Å; S204-E207 PolarHBondContact O-N 2.63Å; S204-E207 WeakPolarHBondContact OG-CB 3.48Å; S204-E207 VanDerWaalsContact OG-CG 3.29Å; S204-E207 WeakPolarHBondContact OG-CG 3.3Å; S204-E207 PolarHBondContact OG-N 2.75Å; S204-E207 PolarHBondContact OG-OE2 2.9Å; S204-L208 PolarHBondContact O-N 3.27Å
205F82.1Confident64.7Low17 Ų1756.6 Ų56.68%0.07530%0.301CS..Hα-helixtrans-58.4-38.3176.7-174.7-108.6000112.7I182 Y183 W186 L208 N209 S398I182-F205 HydrophobicContact CG2-CE2 3.93Å; I182-F205 HydrophobicContact CG2-CZ 4.47Å; Y183-F205 HydrophobicContact CD2-CD2 4.4Å; Y183-F205 HydrophobicContact CD2-CE2 4.32Å; W186-F205 HydrophobicContact CB-CD2 3.86Å; W186-F205 HydrophobicContact CB-CE2 4.35Å; W186-F205 HydrophobicContact CD2-CB 3.83Å; W186-F205 AromaticContact CD2-CD2 3.85Å; W186-F205 HydrophobicContact CD2-CD2 3.85Å; W186-F205 HydrophobicContact CD2-CG 4.28Å; W186-F205 HydrophobicContact CE3-CB 4.15Å; W186-F205 HydrophobicContact CE3-CD2 4.05Å; W186-F205 HydrophobicContact CE3-CG 4.41Å; W186-F205 HydrophobicContact CG-CB 4.31Å; W186-F205 AromaticContact CG-CD2 3.76Å; W186-F205 HydrophobicContact CG-CD2 3.76Å; W186-F205 HydrophobicContact CH2-CB 4.24Å; W186-F205 HydrophobicContact CZ2-CB 3.94Å; W186-F205 HydrophobicContact CZ3-CB 4.35Å; F205-L208 WeakPolarHBondContact O-CB 3.38Å; F205-L208 PolarHBondContact O-N 2.7Å; F205-N209 PolarHBondContact O-N 3Å; F205-S398 WeakPolarHBondContact CD1-O 3.49Å; F205-S398 WeakPolarHBondContact CE1-O 3.33Å
206S77.7Confident63.6Low75 Ų7561 Ų6152%0.52433%0.333SS..Hα-helixtrans-63.4-45.7175.649.70000112.2S204 L208 N209 D210S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 3.39Å; S204-S206 PolarHBondContact OG-OG 3.18Å; S204-S206 VanDerWaalsContact OG-OG 3.11Å; S206-L208 VanDerWaalsContact C-N 3.27Å; S206-L208 PolarHBondContact O-N 3.31Å; S206-N209 PolarHBondContact O-N 2.97Å; S206-D210 PolarHBondContact O-N 3.45Å
207E77.2Confident62.9Low61 Ų6169.6 Ų69.629%0.28537%0.369SS..Hα-helixtrans-64.7-31.1176.7-75.7167.6130.400111.7K201 I203 S204 N209 D210 I211K201-E207 IonicContact NZ-OE1 3.93Å; K201-E207 PolarHBondContact NZ-OE1 2.67Å; I203-E207 HydrophobicContact CB-CB 4.45Å; I203-E207 HydrophobicContact CG1-CB 4.4Å; I203-E207 HydrophobicContact CG2-CB 3.74Å; S204-E207 WeakPolarHBondContact CB-OE2 3.46Å; S204-E207 PolarHBondContact N-OE2 3.15Å; S204-E207 PolarHBondContact O-N 2.63Å; S204-E207 WeakPolarHBondContact OG-CB 3.48Å; S204-E207 VanDerWaalsContact OG-CG 3.29Å; S204-E207 WeakPolarHBondContact OG-CG 3.3Å; S204-E207 PolarHBondContact OG-N 2.75Å; S204-E207 PolarHBondContact OG-OE2 2.9Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.15Å; E207-D210 PolarHBondContact O-N 3.42Å; E207-D210 VanDerWaalsContact O-N 3.13Å; E207-I211 WeakPolarHBondContact O-CD1 3.45Å; E207-I211 VanDerWaalsContact O-CG1 3.28Å; E207-I211 WeakPolarHBondContact O-CG1 3.17Å; E207-I211 PolarHBondContact O-N 3.01Å
208L76.9Confident62.3Low4 Ų470.3 Ų70.32%0.02138%0.376CS..Hα-helixtrans-61.8-38.7177.2-176.664.9000111.9L162 I182 W186 I203 S204 F205 S206 D210L162-L208 HydrophobicContact CD1-CD1 4.15Å; L162-L208 HydrophobicContact CD1-CG 4.43Å; L162-L208 HydrophobicContact CD2-CD2 4.28Å; L162-L208 HydrophobicContact CD2-CG 4.06Å; I182-L208 HydrophobicContact CG2-CD2 4.18Å; W186-L208 HydrophobicContact CB-CD2 3.96Å; W186-L208 HydrophobicContact CG-CD2 4.35Å; I203-L208 HydrophobicContact CG2-CB 3.98Å; S204-L208 PolarHBondContact O-N 3.27Å; F205-L208 WeakPolarHBondContact O-CB 3.38Å; F205-L208 PolarHBondContact O-N 2.7Å; S206-L208 VanDerWaalsContact C-N 3.27Å; S206-L208 PolarHBondContact O-N 3.31Å; L208-D210 VanDerWaalsContact C-N 3.28Å; L208-D210 PolarHBondContact O-N 2.75Å
209N68.7Low61.6Low60 Ų6071.2 Ų71.232%0.32139%0.394SS..Hα-helixtrans-67-31.1175.7-71.3-32.9000112.1F205 S206 E207F205-N209 PolarHBondContact O-N 3Å; S206-N209 PolarHBondContact O-N 2.97Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.15Å
210D68.7Low60.7Low98 Ų9874 Ų7452%0.52441%0.407SS..Hα-helixtrans-78.4-37.4-179.2-65.1-27.5000112.9S206 E207 L208 I212 Q213S206-D210 PolarHBondContact O-N 3.45Å; E207-D210 PolarHBondContact O-N 3.42Å; E207-D210 VanDerWaalsContact O-N 3.13Å; L208-D210 VanDerWaalsContact C-N 3.28Å; L208-D210 PolarHBondContact O-N 2.75Å; D210-I212 PolarHBondContact O-N 3.16Å; D210-Q213 WeakPolarHBondContact O-CB 2.94Å; D210-Q213 PolarHBondContact O-N 2.65Å
211I62.4Low59.7Low40 Ų4078 Ų7821%0.20543%0.431CS..Hα-helixtrans-56.8-30.8-174.9-75.1163000112.8A195 I203 E207 Q213 E214 T215A195-I211 HydrophobicContact CB-CD1 4.48Å; I203-I211 HydrophobicContact CB-CD1 4.33Å; I203-I211 HydrophobicContact CD1-CD1 3.22Å; I203-I211 HydrophobicContact CG1-CD1 3.77Å; I203-I211 HydrophobicContact CG2-CD1 3.73Å; E207-I211 WeakPolarHBondContact O-CD1 3.45Å; E207-I211 VanDerWaalsContact O-CG1 3.28Å; E207-I211 WeakPolarHBondContact O-CG1 3.17Å; E207-I211 PolarHBondContact O-N 3.01Å; I211-Q213 PolarHBondContact O-N 2.74Å; I211-E214 PolarHBondContact O-N 3.36Å; I211-T215 PolarHBondContact O-N 3.06Å; I211-T215 PolarHBondContact O-OG1 3.06Å
212I56.6Low58.4Low20 Ų2077.4 Ų77.410%0.10344%0.44CS..Hα-helixtrans-65-25.3-179.5-41.9161.3000111.7L162 Q166 D210 E214 T215L162-I212 HydrophobicContact CB-CD1 3.54Å; L162-I212 HydrophobicContact CB-CG1 4.1Å; L162-I212 HydrophobicContact CD2-CD1 3.66Å; L162-I212 HydrophobicContact CD2-CG1 4.36Å; L162-I212 HydrophobicContact CG-CD1 4.11Å; L162-I212 WeakPolarHBondContact O-CD1 3.34Å; Q166-I212 HydrophobicContact CG-CD1 4.45Å; Q166-I212 HydrophobicContact CG-CG2 4.16Å; D210-I212 PolarHBondContact O-N 3.16Å; I212-E214 PolarHBondContact O-N 3.43Å; I212-T215 VanDerWaalsContact CA-OG1 3.29Å; I212-T215 WeakPolarHBondContact CA-OG1 3.35Å; I212-T215 PolarHBondContact O-N 3.43Å
213Q49.8Very low57.3Low144 Ų14480.8 Ų80.867%0.67345%0.454SS*.Hα-helixtrans-60.5-28174-64-165.65.200112.1D210 I211D210-Q213 WeakPolarHBondContact O-CB 2.94Å; D210-Q213 PolarHBondContact O-N 2.65Å; I211-Q213 PolarHBondContact O-N 2.74Å
214E48.9Very low56.3Low140 Ų14087 Ų8765%0.65449%0.486SS*.Hα-helixtrans-94.3-16.1-179.9-62.5-174.5165.700113.3K198 I211 I212K198-E214 PolarHBondContact NZ-O 3.22Å; I211-E214 PolarHBondContact O-N 3.36Å; I212-E214 PolarHBondContact O-N 3.43Å
215T47.8Very low55.2Low53 Ų5388.2 Ų88.233%0.32549%0.493SS..Hα-helixtrans-80.9-20.3-173.5-15.60000115.3K198 I211 I212 K217K198-T215 HydrophobicContact CD-CG2 4.29Å; K198-T215 VanDerWaalsContact NZ-CA 3.33Å; I211-T215 PolarHBondContact O-N 3.06Å; I211-T215 PolarHBondContact O-OG1 3.06Å; I212-T215 VanDerWaalsContact CA-OG1 3.29Å; I212-T215 WeakPolarHBondContact CA-OG1 3.35Å; I212-T215 PolarHBondContact O-N 3.43Å; T215-K217 PolarHBondContact O-N 3.5Å
216S45.4Very low54.1Low95 Ų9589.2 Ų89.266%0.66450%0.501SS*.THydrogen-bonded Turntrans-67.8-2.5179.6540000115.4
217K43Very low53.5Low185 Ų18590.8 Ų90.880%0.80451%0.509SS*.THydrogen-bonded Turntrans-114-1.4-173.2-67.5-176.5-179.6175.70116.3T215T215-K217 PolarHBondContact O-N 3.5Å
218T40.3Very low53.3Low92 Ų9293.7 Ų93.756%0.56453%0.527SS*.  trans-129.499.1-174.849.50000111.2K198K198-T218 WeakPolarHBondContact CE-OG1 3.5Å; K198-T218 PolarHBondContact NZ-OG1 2.83Å
219S37.4Very low53.1Low105 Ų10593.7 Ų93.773%0.73453%0.528SS*.  trans-74.4139.9168.854.70000110.9
220T38.1Very low53.5Low138 Ų13898.4 Ų98.485%0.84754%0.541SS*.  trans60.390.615257.40000117.5
221S39.9Very low54.2Low108 Ų108100.3 Ų100.376%0.75555%0.545SS*.  trans-138.3140.7147.2-168.60000109.5
222P40.2Very low55.3Low110 Ų11099.3 Ų99.371%0.71454%0.541SS*.  trans-60.8139.5-177.4-16.629.3000111.8I224P222-I224 PolarHBondContact O-N 2.85Å
223H50Low56.7Low126 Ų12699.3 Ų99.358%0.58354%0.541SS*.  trans-56.792.6179.2-66.8-71000112.8
224I51.1Low58.5Low139 Ų13996.7 Ų96.771%0.71353%0.529SS*.  trans-113.799.7161.6-56.9178.4000107P222 P226P222-I224 PolarHBondContact O-N 2.85Å; I224-P226 WeakPolarHBondContact O-CD 3.34Å
225T56.3Low60.5Low43 Ų4391.7 Ų91.726%0.26451%0.508SS..  trans-59116.2169.8-53.10000108.4L193 A229 R230L193-T225 HydrophobicContact CD2-CG2 4.17Å; T225-A229 HydrophobicContact CG2-CB 3.77Å; T225-R230 HydrophobicContact CG2-CB 4.16Å
226P60Low62.6Low38 Ų3889.1 Ų89.125%0.24749%0.492CS..  trans-51.2142.5175.810.1-27.5000111.7S196 I224 N228 A229 R230S196-P226 WeakPolarHBondContact O-CD 2.97Å; S196-P226 WeakPolarHBondContact O-CG 3.41Å; I224-P226 WeakPolarHBondContact O-CD 3.34Å; P226-N228 PolarHBondContact O-N 3.17Å; P226-A229 HydrophobicContact CG-CB 4.23Å; P226-A229 PolarHBondContact O-N 3.47Å; P226-R230 PolarHBondContact O-N 2.87Å
227P65.5Low64.7Low107 Ų10786.2 Ų86.270%0.69547%0.468SS*.Hα-helixtrans-51.3-35.9-173.3-27.932.8000114.2R230 K231P227-R230 PolarHBondContact O-N 2.87Å; P227-K231 PolarHBondContact O-N 2.8Å
228N72Confident67.1Low123 Ų12382.7 Ų82.766%0.65846%0.458SS*.Hα-helixtrans-67.2-37.1178.9-68.6-17.2000113.2P226 S232P226-N228 PolarHBondContact O-N 3.17Å; N228-S232 WeakPolarHBondContact O-CB 3.42Å; N228-S232 PolarHBondContact O-N 3.34Å; N228-S232 VanDerWaalsContact O-N 3.09Å; N228-S232 PolarHBondContact O-OG 2.9Å
229A73.1Confident69.5Low4 Ų478.8 Ų78.83%0.03343%0.434CS..Hα-helixtrans-72.2-40.2177.500000110.9S196 T225 P226 S232 L233S196-A229 VanDerWaalsContact CB-CB 3.45Å; T225-A229 HydrophobicContact CG2-CB 3.77Å; P226-A229 HydrophobicContact CG-CB 4.23Å; P226-A229 PolarHBondContact O-N 3.47Å; A229-S232 PolarHBondContact O-N 3.07Å; A229-L233 WeakPolarHBondContact O-CB 3.44Å; A229-L233 PolarHBondContact O-N 3.16Å
230R77.2Confident72.1Confident159 Ų15975.1 Ų75.160%0.641%0.405SS*.Hα-helixtrans-59.6-48174.5-175.9175.6179.5155.14.7111.7T225 P226 P227 S232 L233 E234T225-R230 HydrophobicContact CG2-CB 4.16Å; P226-R230 PolarHBondContact O-N 2.87Å; P227-R230 PolarHBondContact O-N 2.87Å; R230-S232 VanDerWaalsContact C-N 3.31Å; R230-S232 PolarHBondContact O-N 3.35Å; R230-L233 PolarHBondContact O-N 3.46Å; R230-E234 WeakPolarHBondContact CG-OE1 3.32Å; R230-E234 IonicContact NE-OE1 3.76Å; R230-E234 PolarHBondContact NE-OE1 3.15Å; R230-E234 WeakPolarHBondContact O-CG 3.31Å; R230-E234 PolarHBondContact O-N 3.05Å
231K83.2Confident74.6Confident138 Ų13871.2 Ų71.260%0.639%0.386SS*.Hα-helixtrans-59.8-40.6175.7-174.7176-178176.60112.3P227 V235P227-K231 PolarHBondContact O-N 2.8Å; K231-V235 VanDerWaalsContact O-CG2 3.27Å; K231-V235 WeakPolarHBondContact O-CG2 3.35Å; K231-V235 PolarHBondContact O-N 3.43Å
232S85.3Confident77.2Confident19 Ų1967.6 Ų67.613%0.13336%0.363CS..Hα-helixtrans-66.2-40.8178.4-61.40000111.9N228 A229 R230 V235 I236N228-S232 WeakPolarHBondContact O-CB 3.42Å; N228-S232 PolarHBondContact O-N 3.34Å; N228-S232 VanDerWaalsContact O-N 3.09Å; N228-S232 PolarHBondContact O-OG 2.9Å; A229-S232 PolarHBondContact O-N 3.07Å; R230-S232 VanDerWaalsContact C-N 3.31Å; R230-S232 PolarHBondContact O-N 3.35Å; S232-V235 PolarHBondContact O-N 3.21Å; S232-I236 WeakPolarHBondContact O-CG1 3.48Å; S232-I236 PolarHBondContact O-N 3.36Å
233L86.8Confident79.7Confident20 Ų2062.7 Ų62.711%0.10533%0.331CS..Hα-helixtrans-65.7-44.3176.5-174.369.3000112.2L193 A229 R230 V235 I236 H237L193-L233 HydrophobicContact CD1-CD2 3.91Å; L193-L233 HydrophobicContact CD2-CD2 3.56Å; L193-L233 HydrophobicContact CG-CD2 3.75Å; A229-L233 WeakPolarHBondContact O-CB 3.44Å; A229-L233 PolarHBondContact O-N 3.16Å; R230-L233 PolarHBondContact O-N 3.46Å; L233-V235 VanDerWaalsContact C-N 3.3Å; L233-V235 PolarHBondContact O-N 3.37Å; L233-I236 PolarHBondContact O-N 3.16Å; L233-I236 VanDerWaalsContact O-N 3.16Å; L233-H237 WeakPolarHBondContact CD1-CE1 3.43Å; L233-H237 WeakPolarHBondContact CD1-NE2 3.46Å; L233-H237 WeakPolarHBondContact CG-NE2 3.01Å; L233-H237 WeakPolarHBondContact O-CB 3.34Å; L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 2.83Å
234E87.7Confident81.5Confident89 Ų8958.6 Ų58.642%0.41631%0.312SS..Hα-helixtrans-55.3-47.4173.1-74.8168.5-173.900110.3R230 I236 H237 D238R230-E234 WeakPolarHBondContact CG-OE1 3.32Å; R230-E234 IonicContact NE-OE1 3.76Å; R230-E234 PolarHBondContact NE-OE1 3.15Å; R230-E234 WeakPolarHBondContact O-CG 3.31Å; R230-E234 PolarHBondContact O-N 3.05Å; E234-I236 PolarHBondContact O-N 3.29Å; E234-H237 PolarHBondContact O-N 2.89Å; E234-D238 WeakPolarHBondContact O-CB 3.31Å; E234-D238 VanDerWaalsContact O-CG 3.26Å; E234-D238 PolarHBondContact O-N 3.16Å
235V90.9Very high83.4Confident34 Ų3456 Ų5621%0.20630%0.295CS..Hα-helixtrans-61.3-41.1176.41740000112.5K231 S232 L233 S239 T382 Y386K231-V235 VanDerWaalsContact O-CG2 3.27Å; K231-V235 WeakPolarHBondContact O-CG2 3.35Å; K231-V235 PolarHBondContact O-N 3.43Å; S232-V235 PolarHBondContact O-N 3.21Å; L233-V235 VanDerWaalsContact C-N 3.3Å; L233-V235 PolarHBondContact O-N 3.37Å; V235-S239 WeakPolarHBondContact O-CB 3.34Å; V235-S239 PolarHBondContact O-N 3.49Å; V235-S239 PolarHBondContact O-OG 2.93Å; V235-T382 HydrophobicContact CG1-CG2 4.07Å; V235-Y386 HydrophobicContact CB-CE1 4.25Å; V235-Y386 HydrophobicContact CB-CE2 4.32Å; V235-Y386 HydrophobicContact CG1-CD1 4.49Å; V235-Y386 HydrophobicContact CG1-CD2 3.72Å; V235-Y386 HydrophobicContact CG1-CE1 4.23Å; V235-Y386 HydrophobicContact CG1-CE2 3.43Å; V235-Y386 VanDerWaalsContact CG1-CE2 3.43Å; V235-Y386 HydrophobicContact CG1-CG 4.26Å
236I90.8Very high85.2Confident0 Ų055.2 Ų55.20%029%0.289CS..Hα-helixtrans-61.4-48.9176.1-72.3174.5000110.4L192 S232 L233 E234 S239 Y240 L383 Y386 L387L192-I236 HydrophobicContact CD1-CD1 3.46Å; L192-I236 VanDerWaalsContact CD1-CD1 3.46Å; L192-I236 HydrophobicContact CG-CD1 4.49Å; S232-I236 WeakPolarHBondContact O-CG1 3.48Å; S232-I236 PolarHBondContact O-N 3.36Å; L233-I236 PolarHBondContact O-N 3.16Å; L233-I236 VanDerWaalsContact O-N 3.16Å; E234-I236 PolarHBondContact O-N 3.29Å; I236-S239 PolarHBondContact O-N 3.27Å; I236-Y240 HydrophobicContact CG2-CD2 3.68Å; I236-Y240 HydrophobicContact CG2-CE2 3.65Å; I236-Y240 VanDerWaalsContact O-CD2 3.3Å; I236-Y240 WeakPolarHBondContact O-CD2 3.49Å; I236-Y240 PolarHBondContact O-N 3.3Å; I236-L383 HydrophobicContact CB-CD2 4.45Å; I236-L383 HydrophobicContact CG2-CD2 4.06Å; I236-L383 WeakPolarHBondContact O-CD2 3.47Å; I236-Y386 HydrophobicContact CG1-CG 4.47Å; I236-L387 HydrophobicContact CD1-CD2 4.06Å
237H89.9Confident86.7Confident33 Ų3353.9 Ų53.915%0.15328%0.279CS..Hα-helixtrans-64.6-45.3-177.4-68.2-13.1000112.5R153 V188 L233 E234 S239 Y240 A241R153-H237 VanDerWaalsContact CZ-CG 3.5Å; R153-H237 PolarHBondContact NE-CE1 3.4Å; R153-H237 PolarHBondContact NE-ND1 3.05Å; R153-H237 PolarHBondContact NE-NE2 3.5Å; R153-H237 PolarHBondContact NH2-ND1 2.94Å; R153-H237 VanDerWaalsContact NH2-ND1 3.19Å; V188-H237 PolarHBondContact O-CE1 3.42Å; V188-H237 PolarHBondContact O-ND1 3.49Å; L233-H237 WeakPolarHBondContact CD1-CE1 3.43Å; L233-H237 WeakPolarHBondContact CD1-NE2 3.46Å; L233-H237 WeakPolarHBondContact CG-NE2 3.01Å; L233-H237 WeakPolarHBondContact O-CB 3.34Å; L233-H237 VanDerWaalsContact O-CG 3.27Å; L233-H237 PolarHBondContact O-N 2.83Å; E234-H237 PolarHBondContact O-N 2.89Å; H237-S239 VanDerWaalsContact C-N 3.31Å; H237-S239 PolarHBondContact O-N 3.47Å; H237-Y240 PolarHBondContact O-N 2.97Å; H237-A241 PolarHBondContact O-N 3.05Å
238D92.5Very high87.7Confident112 Ų11248.9 Ų48.960%0.59925%0.247SC*.Hα-helixtrans-63.2-40.5175.9-70.7-15000111E234 A241 A242E234-D238 WeakPolarHBondContact O-CB 3.31Å; E234-D238 VanDerWaalsContact O-CG 3.26Å; E234-D238 PolarHBondContact O-N 3.16Å; D238-A241 PolarHBondContact O-N 3.19Å; D238-A242 VanDerWaalsContact O-CB 3.27Å; D238-A242 WeakPolarHBondContact O-CB 3.43Å; D238-A242 PolarHBondContact O-N 2.94Å
239S92.6Very high88.6Confident10 Ų1046 Ų467%0.0723%0.228CC..Hα-helixtrans-64.8-42.7177.3-62.40000111.7V235 I236 H237 A242 V243V235-S239 WeakPolarHBondContact O-CB 3.34Å; V235-S239 PolarHBondContact O-N 3.49Å; V235-S239 PolarHBondContact O-OG 2.93Å; I236-S239 PolarHBondContact O-N 3.27Å; H237-S239 VanDerWaalsContact C-N 3.31Å; H237-S239 PolarHBondContact O-N 3.47Å; S239-A242 PolarHBondContact O-N 2.97Å; S239-V243 VanDerWaalsContact O-CG2 3.32Å; S239-V243 WeakPolarHBondContact O-CG2 3.48Å; S239-V243 PolarHBondContact O-N 3.38Å
240Y90.1Very high89.4Confident28 Ų2845.8 Ų45.811%0.1123%0.227CC..Hα-helixtrans-62.3-45.8174.7-88.2-63.1000112.3S187 I236 H237 A242 V243 E244 L383S187-Y240 WeakPolarHBondContact O-CE2 3.15Å; S187-Y240 VanDerWaalsContact O-CZ 3.23Å; S187-Y240 PolarHBondContact O-OH 3.29Å; I236-Y240 HydrophobicContact CG2-CD2 3.68Å; I236-Y240 HydrophobicContact CG2-CE2 3.65Å; I236-Y240 VanDerWaalsContact O-CD2 3.3Å; I236-Y240 WeakPolarHBondContact O-CD2 3.49Å; I236-Y240 PolarHBondContact O-N 3.3Å; H237-Y240 PolarHBondContact O-N 2.97Å; Y240-A242 VanDerWaalsContact C-N 3.28Å; Y240-A242 PolarHBondContact O-N 3.15Å; Y240-V243 PolarHBondContact O-N 2.97Å; Y240-E244 WeakPolarHBondContact O-CG 3.27Å; Y240-E244 PolarHBondContact O-N 2.9Å; Y240-L383 HydrophobicContact CD1-CD1 3.84Å; Y240-L383 HydrophobicContact CD1-CD2 4.47Å; Y240-L383 HydrophobicContact CD2-CD1 4.45Å; Y240-L383 HydrophobicContact CD2-CD2 3.6Å; Y240-L383 HydrophobicContact CE1-CD1 3.77Å; Y240-L383 HydrophobicContact CE1-CD2 4.46Å; Y240-L383 HydrophobicContact CE2-CD1 4.39Å; Y240-L383 HydrophobicContact CE2-CD2 3.61Å; Y240-L383 HydrophobicContact CG-CD1 4.18Å; Y240-L383 HydrophobicContact CG-CD2 4.05Å
241A90.6Very high89.9Confident55 Ų5539.2 Ų39.246%0.45520%0.203SC..Hα-helixtrans-61.5-39.1176.700000111.6H237 D238 K245H237-A241 PolarHBondContact O-N 3.05Å; D238-A241 PolarHBondContact O-N 3.19Å; A241-K245 WeakPolarHBondContact O-CB 3.36Å; A241-K245 PolarHBondContact O-N 3.4Å
242A95.1Very high89.9Confident32 Ų3233.1 Ų33.126%0.26418%0.178SC..Hα-helixtrans-66.2-42175.100000112.3D238 S239 Y240 K245 E246 L379D238-A242 VanDerWaalsContact O-CB 3.27Å; D238-A242 WeakPolarHBondContact O-CB 3.43Å; D238-A242 PolarHBondContact O-N 2.94Å; S239-A242 PolarHBondContact O-N 2.97Å; Y240-A242 VanDerWaalsContact C-N 3.28Å; Y240-A242 PolarHBondContact O-N 3.15Å; A242-K245 PolarHBondContact O-N 3.12Å; A242-E246 PolarHBondContact O-N 3.36Å; A242-L379 HydrophobicContact CB-CD1 3.81Å; A242-L379 HydrophobicContact CB-CD2 3.79Å; A242-L379 HydrophobicContact CB-CG 4.46Å
243V93Very high90Very high7 Ų732.2 Ų32.24%0.04217%0.172CC..Hα-helixtrans-58.6-51174.7169.70000109.8S239 Y240 K245 E246 E247 L379 R380 L383S239-V243 VanDerWaalsContact O-CG2 3.32Å; S239-V243 WeakPolarHBondContact O-CG2 3.48Å; S239-V243 PolarHBondContact O-N 3.38Å; Y240-V243 PolarHBondContact O-N 2.97Å; V243-K245 VanDerWaalsContact C-N 3.27Å; V243-K245 PolarHBondContact O-N 3.46Å; V243-E246 PolarHBondContact O-N 3.37Å; V243-E246 VanDerWaalsContact O-N 3.09Å; V243-E247 HydrophobicContact CG1-CG 4.04Å; V243-E247 WeakPolarHBondContact O-CB 3.34Å; V243-E247 VanDerWaalsContact O-CG 3.31Å; V243-E247 WeakPolarHBondContact O-CG 3.44Å; V243-E247 PolarHBondContact O-N 2.88Å; V243-L379 HydrophobicContact CG2-CB 3.47Å; V243-L379 VanDerWaalsContact CG2-CB 3.47Å; V243-L379 HydrophobicContact CG2-CD1 4.06Å; V243-L379 HydrophobicContact CG2-CG 4.37Å; V243-R380 HydrophobicContact CG2-CG 4.42Å; V243-L383 HydrophobicContact CG2-CD1 4.05Å
244E88.8Confident90Very high41 Ų4131.8 Ų31.819%0.19217%0.17CC..Hα-helixtrans-60.9-38.4-179.3-70.4179.5148.600112K144 R148 Y240 A248K144-E244 WeakPolarHBondContact CE-OE1 3.42Å; K144-E244 IonicContact NZ-OE1 2.65Å; K144-E244 PolarHBondContact NZ-OE1 3.39Å; R148-E244 IonicContact CZ-OE1 3.64Å; R148-E244 IonicContact CZ-OE2 2.74Å; R148-E244 VanDerWaalsContact NH1-CD 3.27Å; R148-E244 IonicContact NH1-OE1 3.58Å; R148-E244 PolarHBondContact NH1-OE1 2.9Å; R148-E244 VanDerWaalsContact NH1-OE1 3.16Å; R148-E244 IonicContact NH1-OE2 3.92Å; R148-E244 PolarHBondContact NH1-OE2 3.46Å; R148-E244 IonicContact NH2-OE1 3.53Å; R148-E244 PolarHBondContact NH2-OE1 3.32Å; R148-E244 IonicContact NH2-OE2 3.39Å; Y240-E244 WeakPolarHBondContact O-CG 3.27Å; Y240-E244 PolarHBondContact O-N 2.9Å; E244-A248 VanDerWaalsContact O-CB 3.26Å; E244-A248 WeakPolarHBondContact O-CB 3.47Å; E244-A248 PolarHBondContact O-N 3.18Å
245K91Very high89.6Confident84 Ų8427.9 Ų27.937%0.36515%0.153SC..Hα-helixtrans-63.2-44.7174.1-173.2172-167.21580111.8D24 A241 A242 V243 K249D24-K245 IonicContact OD2-NZ 3.4Å; D24-K245 PolarHBondContact OD2-NZ 3.11Å; A241-K245 WeakPolarHBondContact O-CB 3.36Å; A241-K245 PolarHBondContact O-N 3.4Å; A242-K245 PolarHBondContact O-N 3.12Å; V243-K245 VanDerWaalsContact C-N 3.27Å; V243-K245 PolarHBondContact O-N 3.46Å; K245-K249 VanDerWaalsContact O-CG 3.28Å; K245-K249 WeakPolarHBondContact O-CG 3.42Å; K245-K249 PolarHBondContact O-N 3.11Å
246E93.6Very high89Confident27 Ų2726.6 Ų26.613%0.12615%0.145CC..Hα-helixtrans-70.9-40179.3-71-48.3132.500112.9A242 V243 A248 K249 F250 D375 I376 L379A242-E246 PolarHBondContact O-N 3.36Å; V243-E246 PolarHBondContact O-N 3.37Å; V243-E246 VanDerWaalsContact O-N 3.09Å; E246-A248 VanDerWaalsContact C-N 3.33Å; E246-A248 PolarHBondContact O-N 2.79Å; E246-K249 PolarHBondContact O-N 3.3Å; E246-K249 IonicContact OE1-NZ 3.21Å; E246-K249 PolarHBondContact OE1-NZ 3.29Å; E246-K249 WeakPolarHBondContact OE2-CD 3.4Å; E246-K249 IonicContact OE2-NZ 3.54Å; E246-F250 WeakPolarHBondContact O-CB 3.47Å; E246-F250 PolarHBondContact O-N 2.57Å; E246-D375 HydrophobicContact CG-CB 4.3Å; E246-I376 HydrophobicContact CB-CD1 4.35Å; E246-I376 HydrophobicContact CB-CG1 3.76Å; E246-L379 HydrophobicContact CG-CD1 4.24Å
247E91.6Very high88.4Confident9 Ų926.9 Ų26.94%0.04215%0.147CC..Hα-helixtrans-61.3-41.5173.9-71.1-176.2142.300111.7V243 F250 Q251 I376 R380 F739 G740 P741 S743V243-E247 HydrophobicContact CG1-CG 4.04Å; V243-E247 WeakPolarHBondContact O-CB 3.34Å; V243-E247 VanDerWaalsContact O-CG 3.31Å; V243-E247 WeakPolarHBondContact O-CG 3.44Å; V243-E247 PolarHBondContact O-N 2.88Å; E247-F250 WeakPolarHBondContact O-CB 3.23Å; E247-F250 PolarHBondContact O-N 2.87Å; E247-Q251 PolarHBondContact O-N 3.37Å; E247-I376 HydrophobicContact CG-CD1 4.17Å; E247-R380 IonicContact OE1-CZ 2.69Å; E247-R380 IonicContact OE1-NH1 2.7Å; E247-R380 IonicContact OE1-NH2 3.76Å; E247-R380 PolarHBondContact OE1-NH2 3.29Å; E247-F739 WeakPolarHBondContact CG-O 3.49Å; E247-G740 VanDerWaalsContact OE1-O 3.14Å; E247-P741 HydrophobicContact CB-CG 4Å; E247-S743 PolarHBondContact OE1-OG 3.14Å
248A87Confident87.8Confident2 Ų225.3 Ų25.32%0.01714%0.14CC..Hα-helixtrans-65.2-42.4175.500000112.6Y21 E244 E246 Q251 A252Y21-A248 HydrophobicContact CD1-CB 4.06Å; Y21-A248 HydrophobicContact CD2-CB 3.81Å; Y21-A248 HydrophobicContact CE1-CB 3.54Å; Y21-A248 HydrophobicContact CE2-CB 3.27Å; Y21-A248 HydrophobicContact CG-CB 4.17Å; Y21-A248 WeakPolarHBondContact OH-CB 3.41Å; E244-A248 VanDerWaalsContact O-CB 3.26Å; E244-A248 WeakPolarHBondContact O-CB 3.47Å; E244-A248 PolarHBondContact O-N 3.18Å; E246-A248 VanDerWaalsContact C-N 3.33Å; E246-A248 PolarHBondContact O-N 2.79Å; A248-Q251 PolarHBondContact O-N 2.88Å; A248-A252 VanDerWaalsContact O-CB 3.25Å; A248-A252 WeakPolarHBondContact O-CB 3.45Å; A248-A252 PolarHBondContact O-N 3.21Å
249K89.6Confident86.8Confident62 Ų6221.3 Ų21.327%0.2712%0.118SC..Hα-helixtrans-63.4-41.5173.7-72.4168.2179.9174.30111.4K245 E246 Q251 A252 M253K245-K249 VanDerWaalsContact O-CG 3.28Å; K245-K249 WeakPolarHBondContact O-CG 3.42Å; K245-K249 PolarHBondContact O-N 3.11Å; E246-K249 PolarHBondContact O-N 3.3Å; E246-K249 IonicContact OE1-NZ 3.21Å; E246-K249 PolarHBondContact OE1-NZ 3.29Å; E246-K249 WeakPolarHBondContact OE2-CD 3.4Å; E246-K249 IonicContact OE2-NZ 3.54Å; K249-Q251 VanDerWaalsContact C-N 3.35Å; K249-A252 PolarHBondContact O-N 3.42Å; K249-M253 WeakPolarHBondContact O-CB 3.43Å; K249-M253 PolarHBondContact O-N 3.13Å
250F91.2Very high85.4Confident0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-56.9-50176.4-180-84.8000110.5E246 E247 M253 I254 N369 R372 I373 I376 C733 F739E246-F250 WeakPolarHBondContact O-CB 3.47Å; E246-F250 PolarHBondContact O-N 2.57Å; E247-F250 WeakPolarHBondContact O-CB 3.23Å; E247-F250 PolarHBondContact O-N 2.87Å; F250-M253 PolarHBondContact O-N 3.07Å; F250-I254 HydrophobicContact CD1-CD1 3.81Å; F250-I254 HydrophobicContact CE1-CD1 3.45Å; F250-I254 VanDerWaalsContact CE1-CD1 3.45Å; F250-I254 HydrophobicContact CE1-CG1 4.44Å; F250-I254 HydrophobicContact CZ-CD1 4.24Å; F250-I254 WeakPolarHBondContact O-CG1 3.42Å; F250-I254 PolarHBondContact O-N 3.16Å; F250-N369 HydrophobicContact CD2-CB 3.59Å; F250-N369 VanDerWaalsContact CD2-CG 3.43Å; F250-N369 VanDerWaalsContact CD2-ND2 3.31Å; F250-N369 WeakPolarHBondContact CD2-ND2 3.49Å; F250-N369 HydrophobicContact CE2-CB 3.57Å; F250-N369 WeakPolarHBondContact CE2-ND2 3.2Å; F250-N369 PolarHBondContact O-ND2 3.35Å; F250-R372 HydrophobicContact CD2-CB 4.5Å; F250-I373 HydrophobicContact CD2-CG1 4.39Å; F250-I373 HydrophobicContact CE2-CD1 4.22Å; F250-I373 HydrophobicContact CE2-CG1 3.8Å; F250-I376 HydrophobicContact CB-CD1 4.48Å; F250-C733 WeakPolarHBondContact CE2-O 3.33Å; F250-C733 VanDerWaalsContact CZ-O 3.28Å; F250-C733 WeakPolarHBondContact CZ-O 3.49Å; F250-F739 HydrophobicContact CD1-CB 3.99Å; F250-F739 HydrophobicContact CD2-CB 3.88Å; F250-F739 HydrophobicContact CE1-CB 3.73Å; F250-F739 HydrophobicContact CE2-CB 3.63Å; F250-F739 HydrophobicContact CE2-CD2 4.06Å; F250-F739 HydrophobicContact CE2-CG 4.12Å; F250-F739 HydrophobicContact CG-CB 4.08Å; F250-F739 HydrophobicContact CZ-CB 3.58Å; F250-F739 AromaticContact CZ-CD2 3.86Å; F250-F739 HydrophobicContact CZ-CD2 3.86Å; F250-F739 HydrophobicContact CZ-CG 4.15Å
251Q87.2Confident84.1Confident22 Ų2226.5 Ų26.510%0.10316%0.156CC..Hα-helixtrans-67.4-40.6179.1-155.5-166.8-17.600112.6L18 E247 A248 K249 M253 I254 A255 I736 P741L18-Q251 HydrophobicContact CD1-CB 3.6Å; L18-Q251 HydrophobicContact CD1-CG 3.21Å; L18-Q251 HydrophobicContact CG-CG 4.3Å; L18-Q251 VanDerWaalsContact CG-NE2 3.31Å; E247-Q251 PolarHBondContact O-N 3.37Å; A248-Q251 PolarHBondContact O-N 2.88Å; K249-Q251 VanDerWaalsContact C-N 3.35Å; Q251-M253 VanDerWaalsContact C-N 3.31Å; Q251-M253 PolarHBondContact O-N 3.32Å; Q251-I254 PolarHBondContact O-N 3.26Å; Q251-A255 PolarHBondContact O-N 3.12Å; Q251-A255 VanDerWaalsContact O-N 3.07Å; Q251-I736 HydrophobicContact CG-CD1 3.5Å; Q251-I736 HydrophobicContact CG-CG1 4.14Å; Q251-P741 VanDerWaalsContact OE1-CG 3.32Å
252A83.4Confident82.7Confident9 Ų924.2 Ų24.27%0.07414%0.136CC..Hα-helixtrans-63.8-35.117700000112.6A248 K249 A255 S256 Y270A248-A252 VanDerWaalsContact O-CB 3.25Å; A248-A252 WeakPolarHBondContact O-CB 3.45Å; A248-A252 PolarHBondContact O-N 3.21Å; K249-A252 PolarHBondContact O-N 3.42Å; A252-A255 PolarHBondContact O-N 3.4Å; A252-S256 WeakPolarHBondContact O-CB 3.49Å; A252-S256 PolarHBondContact O-N 2.62Å; A252-S256 PolarHBondContact O-OG 2.67Å; A252-Y270 HydrophobicContact CB-CD1 4.06Å; A252-Y270 HydrophobicContact CB-CD2 4.07Å; A252-Y270 HydrophobicContact CB-CE1 3.76Å; A252-Y270 HydrophobicContact CB-CE2 3.77Å; A252-Y270 HydrophobicContact CB-CG 4.23Å
253M86.4Confident81.3Confident0 Ų025.6 Ų25.60%014%0.142CC..Hα-helixtrans-64.3-44.9173.3-178.263.47500111.4K249 F250 Q251 A255 S256 C257 Y270 A354 C366 A367 N369K249-M253 WeakPolarHBondContact O-CB 3.43Å; K249-M253 PolarHBondContact O-N 3.13Å; F250-M253 PolarHBondContact O-N 3.07Å; Q251-M253 VanDerWaalsContact C-N 3.31Å; Q251-M253 PolarHBondContact O-N 3.32Å; M253-A255 VanDerWaalsContact C-N 3.34Å; M253-A255 PolarHBondContact O-N 2.72Å; M253-S256 PolarHBondContact O-N 3.18Å; M253-C257 PolarHBondContact O-N 3.35Å; M253-Y270 WeakPolarHBondContact CE-O 3.45Å; M253-A354 HydrophobicContact CB-CB 4.35Å; M253-A354 HydrophobicContact CG-CB 3.52Å; M253-C366 WeakPolarHBondContact CE-O 3.37Å; M253-A367 HydrophobicContact SD-CB 4.42Å; M253-N369 VanDerWaalsContact CB-OD1 3.31Å; M253-N369 WeakPolarHBondContact CB-OD1 3.41Å; M253-N369 WeakPolarHBondContact CG-OD1 3.47Å
254I86.7Confident80Confident12 Ų1231.3 Ų31.36%0.06217%0.168CC..Hα-helixtrans-57.2-49.5176.3-63.1167.1000110.3F250 Q251 S256 C257 A258 A354 I736F250-I254 HydrophobicContact CD1-CD1 3.81Å; F250-I254 HydrophobicContact CE1-CD1 3.45Å; F250-I254 VanDerWaalsContact CE1-CD1 3.45Å; F250-I254 HydrophobicContact CE1-CG1 4.44Å; F250-I254 HydrophobicContact CZ-CD1 4.24Å; F250-I254 WeakPolarHBondContact O-CG1 3.42Å; F250-I254 PolarHBondContact O-N 3.16Å; Q251-I254 PolarHBondContact O-N 3.26Å; I254-S256 VanDerWaalsContact C-N 3.31Å; I254-S256 PolarHBondContact O-N 2.89Å; I254-C257 CarbonylContact O-C 3.36Å; I254-C257 PolarHBondContact O-N 3.04Å; I254-A258 VanDerWaalsContact O-CB 3.27Å; I254-A258 WeakPolarHBondContact O-CB 3.09Å; I254-A258 PolarHBondContact O-N 3.21Å; I254-A354 HydrophobicContact CG1-CB 4.27Å; I254-I736 HydrophobicContact CD1-CB 4.46Å
255A80.6Confident79Confident7 Ų736 Ų366%0.05819%0.186CC..Hα-helixtrans-60.6-41.8178.300000111.8Q251 A252 M253 C257 A258 I259 L262Q251-A255 PolarHBondContact O-N 3.12Å; Q251-A255 VanDerWaalsContact O-N 3.07Å; A252-A255 PolarHBondContact O-N 3.4Å; M253-A255 VanDerWaalsContact C-N 3.34Å; M253-A255 PolarHBondContact O-N 2.72Å; A255-C257 VanDerWaalsContact C-N 3.26Å; A255-C257 PolarHBondContact O-N 2.91Å; A255-A258 PolarHBondContact O-N 3.4Å; A255-A258 VanDerWaalsContact O-N 3.1Å; A255-I259 HydrophobicContact CB-CD1 4.38Å; A255-I259 WeakPolarHBondContact O-CG1 3.36Å; A255-I259 PolarHBondContact O-N 2.91Å; A255-I259 VanDerWaalsContact O-N 3.13Å; A255-L262 HydrophobicContact CB-CD1 4.41Å; A255-L262 VanDerWaalsContact O-CD1 3.25Å; A255-L262 WeakPolarHBondContact O-CD1 3.31Å
256S77.5Confident77.8Confident6 Ų635.4 Ų35.44%0.04218%0.181CC..Hα-helixtrans-63.6-30.8177.9-59.90000113A252 M253 I254 T284A252-S256 WeakPolarHBondContact O-CB 3.49Å; A252-S256 PolarHBondContact O-N 2.62Å; A252-S256 PolarHBondContact O-OG 2.67Å; M253-S256 PolarHBondContact O-N 3.18Å; I254-S256 VanDerWaalsContact C-N 3.31Å; I254-S256 PolarHBondContact O-N 2.89Å; S256-T284 WeakPolarHBondContact O-CG2 3.15Å
257C78.3Confident76.5Confident6 Ų635.1 Ų35.14%0.04118%0.179CC..THydrogen-bonded Turntrans-89.6-1.6174.9-72.10000114.1M253 I254 A255 L283 T284M253-C257 PolarHBondContact O-N 3.35Å; I254-C257 CarbonylContact O-C 3.36Å; I254-C257 PolarHBondContact O-N 3.04Å; A255-C257 VanDerWaalsContact C-N 3.26Å; A255-C257 PolarHBondContact O-N 2.91Å; C257-L283 WeakPolarHBondContact CA-O 3.39Å; C257-L283 WeakPolarHBondContact CB-O 3.38Å; C257-L283 PolarHBondContact SG-O 3Å; C257-T284 WeakPolarHBondContact O-CA 3.35Å
258A77.4Confident75.4Confident1 Ų136.2 Ų36.21%0.00819%0.187CC..THydrogen-bonded Turntrans-117.4-12.9-176.600000113.9I254 A255 T287 L324 I325I254-A258 VanDerWaalsContact O-CB 3.27Å; I254-A258 WeakPolarHBondContact O-CB 3.09Å; I254-A258 PolarHBondContact O-N 3.21Å; A255-A258 PolarHBondContact O-N 3.4Å; A255-A258 VanDerWaalsContact O-N 3.1Å; A258-T287 VanDerWaalsContact C-CG2 3.48Å; A258-T287 WeakPolarHBondContact O-CB 3.5Å; A258-T287 VanDerWaalsContact O-CG2 3.26Å; A258-T287 WeakPolarHBondContact O-CG2 3.39Å; A258-L324 HydrophobicContact CB-CB 4.4Å; A258-I325 HydrophobicContact CB-CB 4.36Å
259I70.9Confident74.7Confident27 Ų2738.8 Ų38.814%0.13820%0.198CC..  trans-134.4110.9-170-49.5171.3000111.2A255 S261 L262 I325A255-I259 HydrophobicContact CB-CD1 4.38Å; A255-I259 WeakPolarHBondContact O-CG1 3.36Å; A255-I259 PolarHBondContact O-N 2.91Å; A255-I259 VanDerWaalsContact O-N 3.13Å; I259-S261 VanDerWaalsContact C-N 3.31Å; I259-S261 VanDerWaalsContact CG2-OG 3.23Å; I259-S261 WeakPolarHBondContact CG2-OG 3.41Å; I259-S261 PolarHBondContact O-N 3.19Å; I259-L262 HydrophobicContact CB-CD1 3.88Å; I259-L262 HydrophobicContact CB-CG 3.98Å; I259-L262 HydrophobicContact CD1-CD1 4.21Å; I259-L262 HydrophobicContact CD1-CG 4.37Å; I259-L262 HydrophobicContact CG1-CD1 4.48Å; I259-L262 HydrophobicContact CG2-CD1 4.5Å; I259-L262 HydrophobicContact CG2-CG 4.05Å; I259-I325 HydrophobicContact CD1-CD1 3.49Å; I259-I325 VanDerWaalsContact CD1-CD1 3.49Å; I259-I325 HydrophobicContact CD1-CG1 4.26Å; I259-I325 HydrophobicContact CG1-CD1 4.17Å; I259-I325 HydrophobicContact CG1-CG1 4.48Å
260V63.3Low73.7Confident59 Ų5936.6 Ų36.636%0.35819%0.189SC..THydrogen-bonded Turntrans-68.7-28.6173.8167.90000112.5L262 R267 T284 T287V260-L262 PolarHBondContact O-N 3.07Å; V260-R267 PolarHBondContact O-NH1 2.8Å; V260-R267 PolarHBondContact O-NH2 3.4Å; V260-T284 HydrophobicContact CG2-CG2 4.42Å; V260-T284 VanDerWaalsContact CG2-OG1 3.25Å; V260-T284 WeakPolarHBondContact CG2-OG1 3.21Å; V260-T287 HydrophobicContact CB-CG2 4.47Å; V260-T287 VanDerWaalsContact CB-OG1 3.27Å; V260-T287 WeakPolarHBondContact CB-OG1 3.24Å; V260-T287 HydrophobicContact CG2-CG2 3.68Å; V260-T287 WeakPolarHBondContact CG2-OG1 3.37Å; V260-T287 PolarHBondContact N-OG1 3.13Å
261S63.4Low72.6Confident88 Ų8836.9 Ų36.962%0.61519%0.191SC*.THydrogen-bonded Turntrans-79.14.6-176.767.50000115R19 I259R19-S261 PolarHBondContact NH1-O 3.41Å; R19-S261 PolarHBondContact NH2-O 3.07Å; R19-S261 PolarHBondContact NH2-OG 3.21Å; I259-S261 VanDerWaalsContact C-N 3.31Å; I259-S261 VanDerWaalsContact CG2-OG 3.23Å; I259-S261 WeakPolarHBondContact CG2-OG 3.41Å; I259-S261 PolarHBondContact O-N 3.19Å
262L62Low71.5Confident8 Ų835.9 Ų35.94%0.04219%0.186CC..SBendtrans-67.5140.1173.7-83.3165.2000110.4R19 A255 I259 V260 Q264 R267R19-L262 HydrophobicContact CG-CD2 3.78Å; A255-L262 HydrophobicContact CB-CD1 4.41Å; A255-L262 VanDerWaalsContact O-CD1 3.25Å; A255-L262 WeakPolarHBondContact O-CD1 3.31Å; I259-L262 HydrophobicContact CB-CD1 3.88Å; I259-L262 HydrophobicContact CB-CG 3.98Å; I259-L262 HydrophobicContact CD1-CD1 4.21Å; I259-L262 HydrophobicContact CD1-CG 4.37Å; I259-L262 HydrophobicContact CG1-CD1 4.48Å; I259-L262 HydrophobicContact CG2-CD1 4.5Å; I259-L262 HydrophobicContact CG2-CG 4.05Å; V260-L262 PolarHBondContact O-N 3.07Å; L262-Q264 PolarHBondContact O-N 2.99Å; L262-R267 HydrophobicContact CB-CG 3.95Å; L262-R267 PolarHBondContact O-NE 2.81Å; L262-R267 PolarHBondContact O-NH2 3.29Å
263P65Low70.5Confident60 Ų6037 Ų3739%0.3919%0.188SC..  trans-55139.6177.7-19.528.4000110.8Y265 Y266 R267P263-Y265 PolarHBondContact O-N 2.99Å; P263-Y265 VanDerWaalsContact O-N 3.15Å; P263-Y266 HydrophobicContact CB-CD2 3.84Å; P263-Y266 HydrophobicContact CB-CE2 4.43Å; P263-Y266 HydrophobicContact CG-CD2 3.73Å; P263-Y266 HydrophobicContact CG-CE2 4.1Å; P263-Y266 PolarHBondContact O-N 3.07Å; P263-R267 PolarHBondContact O-N 2.85Å
264Q65.3Low69.1Low127 Ų12742.2 Ų42.259%0.59322%0.219SC*.Hα-helixtrans-52.9-40.5-172-70.3175.6-6.100112.6L262 Y266 R267 S268L262-Q264 PolarHBondContact O-N 2.99Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3.13Å; Q264-R267 PolarHBondContact O-N 3.29Å; Q264-S268 PolarHBondContact O-N 3.44Å; Q264-S268 PolarHBondContact O-OG 3.48Å
265Y67.8Low67.7Low141 Ų14143.3 Ų43.355%0.55323%0.227SC*.Hα-helixtrans-55.4-41.9175.4171.9-98.3000113.4P263 S268 K269P263-Y265 PolarHBondContact O-N 2.99Å; P263-Y265 VanDerWaalsContact O-N 3.15Å; Y265-S268 PolarHBondContact O-OG 3.35Å; Y265-K269 HydrophobicContact CE1-CD 3.95Å; Y265-K269 WeakPolarHBondContact O-CB 3.46Å; Y265-K269 PolarHBondContact O-N 3.48Å; Y265-K269 PolarHBondContact OH-NZ 3.12Å
266Y66.1Low66.7Low71 Ų7148 Ų4828%0.27825%0.25SC..Hα-helixtrans-68.6-42.3179.4-75.2-75.2000111.3P263 Q264 K269 Y270P263-Y266 HydrophobicContact CB-CD2 3.84Å; P263-Y266 HydrophobicContact CB-CE2 4.43Å; P263-Y266 HydrophobicContact CG-CD2 3.73Å; P263-Y266 HydrophobicContact CG-CE2 4.1Å; P263-Y266 PolarHBondContact O-N 3.07Å; Q264-Y266 VanDerWaalsContact C-N 3.33Å; Q264-Y266 PolarHBondContact O-N 3.13Å; Y266-K269 PolarHBondContact O-N 3.41Å; Y266-Y270 HydrophobicContact CD1-CE2 4.22Å; Y266-Y270 WeakPolarHBondContact O-CD2 3.12Å; Y266-Y270 PolarHBondContact O-N 2.93Å
267R66.1Low65.6Low21 Ų2152.6 Ų52.68%0.07928%0.28CS..Hα-helixtrans-64.1-45.3177.3-75.4-176-75170.6-5.3111.3V260 L262 P263 Q264 Y270 S271V260-R267 PolarHBondContact O-NH1 2.8Å; V260-R267 PolarHBondContact O-NH2 3.4Å; L262-R267 HydrophobicContact CB-CG 3.95Å; L262-R267 PolarHBondContact O-NE 2.81Å; L262-R267 PolarHBondContact O-NH2 3.29Å; P263-R267 PolarHBondContact O-N 2.85Å; Q264-R267 PolarHBondContact O-N 3.29Å; R267-Y270 PolarHBondContact O-N 2.69Å; R267-S271 VanDerWaalsContact O-CB 3.27Å; R267-S271 WeakPolarHBondContact O-CB 3.49Å; R267-S271 PolarHBondContact O-N 2.95Å; R267-S271 PolarHBondContact O-OG 3.31Å
268S68Low64.6Low31 Ų3155.7 Ų55.722%0.21730%0.301CS..Hα-helixtrans-65.5-39.2177.665.60000112.1Q264 Y265 Y270 G272 R273Q264-S268 PolarHBondContact O-N 3.44Å; Q264-S268 PolarHBondContact O-OG 3.48Å; Y265-S268 PolarHBondContact O-OG 3.35Å; S268-Y270 VanDerWaalsContact C-N 3.35Å; S268-Y270 PolarHBondContact O-N 3.24Å; S268-G272 WeakPolarHBondContact O-CA 3.34Å; S268-G272 PolarHBondContact O-N 3.38Å; S268-R273 VanDerWaalsContact CA-O 3.29Å; S268-R273 WeakPolarHBondContact CA-O 3.46Å; S268-R273 WeakPolarHBondContact CB-O 3.42Å
269K72.3Confident63.7Low56 Ų5656.5 Ų56.524%0.24331%0.307CS..Hα-helixtrans-60.1-38.9178.1-177173.7-166.7164.80113.5P23 Y265 Y266 L365P23-K269 VanDerWaalsContact CD-NZ 3.3Å; Y265-K269 HydrophobicContact CE1-CD 3.95Å; Y265-K269 WeakPolarHBondContact O-CB 3.46Å; Y265-K269 PolarHBondContact O-N 3.48Å; Y265-K269 PolarHBondContact OH-NZ 3.12Å; Y266-K269 PolarHBondContact O-N 3.41Å; K269-L365 WeakPolarHBondContact O-CD1 3.47Å
270Y69.7Low62.9Low17 Ų1756.7 Ų56.77%0.06731%0.308CS..Hα-helixtrans-97-43.9-176.9-66.8-67.1000113.2P23 A252 M253 Y266 R267 S268P23-Y270 WeakPolarHBondContact CG-OH 3.46Å; A252-Y270 HydrophobicContact CB-CD1 4.06Å; A252-Y270 HydrophobicContact CB-CD2 4.07Å; A252-Y270 HydrophobicContact CB-CE1 3.76Å; A252-Y270 HydrophobicContact CB-CE2 3.77Å; A252-Y270 HydrophobicContact CB-CG 4.23Å; M253-Y270 WeakPolarHBondContact CE-O 3.45Å; Y266-Y270 HydrophobicContact CD1-CE2 4.22Å; Y266-Y270 WeakPolarHBondContact O-CD2 3.12Å; Y266-Y270 PolarHBondContact O-N 2.93Å; R267-Y270 PolarHBondContact O-N 2.69Å; S268-Y270 VanDerWaalsContact C-N 3.35Å; S268-Y270 PolarHBondContact O-N 3.24Å
271S67.3Low62.7Low6 Ų660 Ų604%0.04232%0.32CS..Hα-helixtrans-81.8-19.3-178.972.50000113.8R267 R273R267-S271 VanDerWaalsContact O-CB 3.27Å; R267-S271 WeakPolarHBondContact O-CB 3.49Å; R267-S271 PolarHBondContact O-N 2.95Å; R267-S271 PolarHBondContact O-OG 3.31Å; S271-R273 PolarHBondContact O-N 3.34Å
272G63.4Low62.6Low0 Ų060.2 Ų60.20%031%0.313CS..  trans81.82.1178.400000117.5S268 G360 S362 T363S268-G272 WeakPolarHBondContact O-CA 3.34Å; S268-G272 PolarHBondContact O-N 3.38Å; G272-G360 CarbonylContact O-C 3.41Å; G272-G360 WeakPolarHBondContact O-CA 3.43Å; G272-S362 PolarHBondContact O-OG 3.24Å; G272-T363 WeakPolarHBondContact CA-OG1 3.25Å; G272-T363 PolarHBondContact O-OG1 2.89Å
273R62.8Low62.3Low34 Ų3460.7 Ų60.713%0.12832%0.315CS..  trans-100.7137.4-180-66.7-165.4173.1173.8-13.1113S268 S271 S279 L283 Y358S268-R273 VanDerWaalsContact CA-O 3.29Å; S268-R273 WeakPolarHBondContact CA-O 3.46Å; S268-R273 WeakPolarHBondContact CB-O 3.42Å; S271-R273 PolarHBondContact O-N 3.34Å; R273-S279 PolarHBondContact NH1-O 3.05Å; R273-L283 HydrophobicContact CB-CD1 4.24Å; R273-L283 HydrophobicContact CG-CD1 4.16Å; R273-Y358 VanDerWaalsContact NH2-CB 3.28Å; R273-Y358 VanDerWaalsContact NH2-CG 3.34Å
274V57.3Low61.9Low108 Ų10858 Ų5866%0.65530%0.298SS*.  trans-74.8129157.5179.80000107.6I276V274-I276 PolarHBondContact O-N 3.49Å
275T58Low61.6Low36 Ų3652.2 Ų52.222%0.22127%0.272CS..  trans-76.497.5-162.450.30000112.9L280T275-L280 HydrophobicContact CG2-CD1 4.27Å; T275-L280 HydrophobicContact CG2-CD2 3.57Å; T275-L280 HydrophobicContact CG2-CG 4.1Å
276I58.7Low61.2Low105 Ų10547.3 Ų47.354%0.53826%0.261SS..  trans-81.3135.6153.3-54.9171.9000106.8V274 S278 S279 L280V274-I276 PolarHBondContact O-N 3.49Å; I276-S278 VanDerWaalsContact C-N 3.27Å; I276-S278 WeakPolarHBondContact CG2-OG 3.43Å; I276-S278 PolarHBondContact O-N 3.48Å; I276-S279 WeakPolarHBondContact O-CA 3.45Å; I276-S279 VanDerWaalsContact O-CB 3.22Å; I276-S279 WeakPolarHBondContact O-CB 3.35Å; I276-S279 PolarHBondContact O-N 3.31Å; I276-L280 PolarHBondContact O-N 2.83Å
277P53.6Low61Low103 Ų10345.1 Ų45.167%0.66926%0.255SS*.Hα-helixtrans-49.6-42.2-178-30.635.9000114.7S279 L280 E281P277-S279 VanDerWaalsContact C-N 3.26Å; P277-S279 PolarHBondContact O-N 2.87Å; P277-L280 WeakPolarHBondContact O-CB 3.26Å; P277-L280 PolarHBondContact O-N 2.99Å; P277-L280 VanDerWaalsContact O-N 3.11Å; P277-E281 PolarHBondContact O-N 3.16Å
278S57.3Low61.2Low70 Ų7048.6 Ų48.649%0.4928%0.275SS..Hα-helixtrans-62.5-30175.756.60000113.7I276 L280 I282I276-S278 VanDerWaalsContact C-N 3.27Å; I276-S278 WeakPolarHBondContact CG2-OG 3.43Å; I276-S278 PolarHBondContact O-N 3.48Å; S278-L280 VanDerWaalsContact C-N 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.46Å
279S58.7Low61.9Low19 Ų1947.8 Ų47.813%0.13327%0.268CS..Hα-helixtrans-73.4-25.7177.4-57.90000112.7R273 I276 P277 L283R273-S279 PolarHBondContact NH1-O 3.05Å; I276-S279 WeakPolarHBondContact O-CA 3.45Å; I276-S279 VanDerWaalsContact O-CB 3.22Å; I276-S279 WeakPolarHBondContact O-CB 3.35Å; I276-S279 PolarHBondContact O-N 3.31Å; P277-S279 VanDerWaalsContact C-N 3.26Å; P277-S279 PolarHBondContact O-N 2.87Å; S279-L283 WeakPolarHBondContact O-CG 3.29Å; S279-L283 PolarHBondContact O-N 3.39Å
280L54.9Low62.7Low30 Ų3052.9 Ų52.916%0.15729%0.29CS..Hα-helixtrans-73.8-41.5178-71.1173.6000111.2T275 I276 P277 S278 I282 L283 T284T275-L280 HydrophobicContact CG2-CD1 4.27Å; T275-L280 HydrophobicContact CG2-CD2 3.57Å; T275-L280 HydrophobicContact CG2-CG 4.1Å; I276-L280 PolarHBondContact O-N 2.83Å; P277-L280 WeakPolarHBondContact O-CB 3.26Å; P277-L280 PolarHBondContact O-N 2.99Å; P277-L280 VanDerWaalsContact O-N 3.11Å; S278-L280 VanDerWaalsContact C-N 3.31Å; L280-I282 VanDerWaalsContact C-N 3.29Å; L280-I282 PolarHBondContact O-N 3.36Å; L280-L283 PolarHBondContact O-N 2.68Å; L280-L283 VanDerWaalsContact O-N 3.12Å; L280-T284 WeakPolarHBondContact O-CB 3.44Å; L280-T284 PolarHBondContact O-N 3.05Å; L280-T284 PolarHBondContact O-OG1 2.97Å
281E59.3Low63.7Low130 Ų13052.5 Ų52.561%0.60729%0.29SS*.Hα-helixtrans-59.1-42176.1-165.8173.3-168.800111.3P277 L283 G285P277-E281 PolarHBondContact O-N 3.16Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.14Å; E281-G285 VanDerWaalsContact O-CA 3.23Å; E281-G285 WeakPolarHBondContact O-CA 3.3Å; E281-G285 PolarHBondContact O-N 2.81Å
282I60.9Low64.9Low91 Ų9154.3 Ų54.347%0.46731%0.305SS..Hα-helixtrans-63.1-38.3175.2-64167.9000112.4S278 L280 Y358S278-I282 WeakPolarHBondContact O-CG1 3.46Å; L280-I282 VanDerWaalsContact C-N 3.29Å; L280-I282 PolarHBondContact O-N 3.36Å; I282-Y358 HydrophobicContact CG2-CD2 4.04Å; I282-Y358 HydrophobicContact CG2-CE2 3.53Å
283L56.7Low66.2Low18 Ų1858.2 Ų58.29%0.09432%0.323CS..Hα-helixtrans-84.8-34.6-173.9-78.7174.9000113.7C257 R273 S279 L280 E281 A367C257-L283 WeakPolarHBondContact CA-O 3.39Å; C257-L283 WeakPolarHBondContact CB-O 3.38Å; C257-L283 PolarHBondContact SG-O 3Å; R273-L283 HydrophobicContact CB-CD1 4.24Å; R273-L283 HydrophobicContact CG-CD1 4.16Å; S279-L283 WeakPolarHBondContact O-CG 3.29Å; S279-L283 PolarHBondContact O-N 3.39Å; L280-L283 PolarHBondContact O-N 2.68Å; L280-L283 VanDerWaalsContact O-N 3.12Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-L283 PolarHBondContact O-N 3.14Å; L283-A367 HydrophobicContact CD2-CB 3.31Å
284T55.6Low67.6Low5 Ų561.1 Ų61.13%0.03135%0.349CS..Hα-helixtrans-108.6-14.1-170.1630000113S256 C257 V260 L280 T287S256-T284 WeakPolarHBondContact O-CG2 3.15Å; C257-T284 WeakPolarHBondContact O-CA 3.35Å; V260-T284 HydrophobicContact CG2-CG2 4.42Å; V260-T284 VanDerWaalsContact CG2-OG1 3.25Å; V260-T284 WeakPolarHBondContact CG2-OG1 3.21Å; L280-T284 WeakPolarHBondContact O-CB 3.44Å; L280-T284 PolarHBondContact O-N 3.05Å; L280-T284 PolarHBondContact O-OG1 2.97Å; T284-T287 VanDerWaalsContact CB-CG2 3.47Å; T284-T287 WeakPolarHBondContact O-CG2 3.12Å
285G59.4Low69.4Low5 Ų557 Ų575%0.05232%0.323CS..  trans61.4-169-166.100000112E281 T287E281-G285 VanDerWaalsContact O-CA 3.23Å; E281-G285 WeakPolarHBondContact O-CA 3.3Å; E281-G285 PolarHBondContact O-N 2.81Å; G285-T287 PolarHBondContact O-N 3.28Å
286A59.1Low71Confident38 Ų3856.2 Ų56.231%0.31432%0.318SS..  trans-68.298.3162.200000107.7D288 I289 Y349A286-D288 PolarHBondContact O-N 3.48Å; A286-I289 HydrophobicContact CB-CD1 4.3Å; A286-I289 HydrophobicContact CB-CG1 3.62Å; A286-I289 WeakPolarHBondContact O-CD1 3.35Å; A286-I289 VanDerWaalsContact O-CG1 3.3Å; A286-I289 WeakPolarHBondContact O-CG1 3.44Å; A286-Y349 HydrophobicContact CB-CD2 4.4Å; A286-Y349 HydrophobicContact CB-CE2 3.81Å; A286-Y349 VanDerWaalsContact N-CE2 3.31Å
287T62.4Low72.6Confident25 Ų2551.5 Ų51.515%0.15329%0.294CS..SBendtrans-78.90.6176.663.30000113.5A258 V260 T284 G285A258-T287 VanDerWaalsContact C-CG2 3.48Å; A258-T287 WeakPolarHBondContact O-CB 3.5Å; A258-T287 VanDerWaalsContact O-CG2 3.26Å; A258-T287 WeakPolarHBondContact O-CG2 3.39Å; V260-T287 HydrophobicContact CB-CG2 4.47Å; V260-T287 VanDerWaalsContact CB-OG1 3.27Å; V260-T287 WeakPolarHBondContact CB-OG1 3.24Å; V260-T287 HydrophobicContact CG2-CG2 3.68Å; V260-T287 WeakPolarHBondContact CG2-OG1 3.37Å; V260-T287 PolarHBondContact N-OG1 3.13Å; T284-T287 VanDerWaalsContact CB-CG2 3.47Å; T284-T287 WeakPolarHBondContact O-CG2 3.12Å; G285-T287 PolarHBondContact O-N 3.28Å
288D68.7Low74.2Confident93 Ų9350.8 Ų50.850%0.49729%0.29SS..SBendtrans-138.567.3-178-168.527.6000108.5A286 K290 H321A286-D288 PolarHBondContact O-N 3.48Å; D288-K290 PolarHBondContact O-N 3.38Å; D288-H321 WeakPolarHBondContact OD1-CB 3.34Å; D288-H321 IonicContact OD1-CD2 2.96Å; D288-H321 IonicContact OD1-CG 2.84Å
289I83.2Confident75.8Confident14 Ų1447.9 Ų47.97%0.07227%0.269CS..EExtended strand (participates in β ladder)trans-79.3103.5178-62163.3000106.5A286 H321 V322 I342 T345 V346 Y349A286-I289 HydrophobicContact CB-CD1 4.3Å; A286-I289 HydrophobicContact CB-CG1 3.62Å; A286-I289 WeakPolarHBondContact O-CD1 3.35Å; A286-I289 VanDerWaalsContact O-CG1 3.3Å; A286-I289 WeakPolarHBondContact O-CG1 3.44Å; I289-H321 CarbonylContact O-C 3.58Å; I289-H321 VanDerWaalsContact O-CA 3.26Å; I289-H321 WeakPolarHBondContact O-CA 3.26Å; I289-V322 PolarHBondContact O-N 2.91Å; I289-I342 HydrophobicContact CG2-CG2 4.02Å; I289-T345 HydrophobicContact CD1-CG2 4.17Å; I289-V346 HydrophobicContact CB-CG2 4.44Å; I289-V346 HydrophobicContact CD1-CB 4.35Å; I289-V346 HydrophobicContact CD1-CG2 3.51Å; I289-V346 HydrophobicContact CG2-CG2 4.05Å; I289-Y349 HydrophobicContact CD1-CD2 4.2Å
290K89.2Confident77.4Confident164 Ų16448.1 Ų48.171%0.71327%0.272SS*.EExtended strand (participates in β ladder)trans-64.9139.6175.6-65.3-177.1-179.7179.70109.9D288D288-K290 PolarHBondContact O-N 3.38Å
291V90.9Very high79Confident9 Ų947.6 Ų47.66%0.05527%0.271CS..EExtended strand (participates in β ladder)trans-127.2129.8179.9176.20000107.6D295 L296 M320 V322 F333V291-D295 HydrophobicContact CG1-CB 3.9Å; V291-L296 HydrophobicContact CG1-CD2 4.33Å; V291-L296 HydrophobicContact CG1-CG 4.45Å; V291-M320 HydrophobicContact CB-CB 4.07Å; V291-M320 PolarHBondContact N-O 3.39Å; V291-M320 WeakPolarHBondContact O-CB 3.34Å; V291-V322 HydrophobicContact CG2-CG2 3.64Å; V291-F333 HydrophobicContact CB-CE2 4.38Å; V291-F333 HydrophobicContact CG1-CE2 3.81Å; V291-F333 HydrophobicContact CG1-CZ 4.42Å; V291-F333 HydrophobicContact CG2-CE2 3.62Å; V291-F333 HydrophobicContact CG2-CZ 3.76Å
292A92.8Very high80.3Confident44 Ų4444.4 Ų44.436%0.36425%0.254SS..  trans-86.3157.916900000110.2S294 D295A292-S294 PolarHBondContact O-N 3.11Å; A292-D295 WeakPolarHBondContact CB-OD2 3.39Å; A292-D295 PolarHBondContact N-OD2 3.02Å; A292-D295 VanDerWaalsContact O-CB 3.31Å; A292-D295 WeakPolarHBondContact O-CB 3.39Å; A292-D295 PolarHBondContact O-N 3.06Å
293E91.7Very high81.6Confident81 Ų8140.6 Ų40.638%0.37923%0.233SC..G310 helixtrans-58.7-35.5173.7-175.6173.9-161.500112.7D295 L296 H316 I317 M320E293-D295 PolarHBondContact O-N 2.89Å; E293-L296 PolarHBondContact O-N 3.38Å; E293-H316 WeakPolarHBondContact OE2-CA 3.27Å; E293-H316 WeakPolarHBondContact OE2-CB 3.24Å; E293-I317 PolarHBondContact OE2-N 3.08Å; E293-M320 HydrophobicContact CB-CE 4.05Å
294S92Very high83.3Confident96 Ų9639.8 Ų39.867%0.67123%0.229SC*.G310 helixtrans-63.7-1917556.10000114.2A292 L296 S338A292-S294 PolarHBondContact O-N 3.11Å; S294-L296 VanDerWaalsContact C-N 3.25Å; S294-S338 PolarHBondContact O-OG 2.85Å; S294-S338 VanDerWaalsContact O-OG 3.09Å
295D93.4Very high85Confident20 Ų2040.3 Ų40.311%0.10723%0.232CC..G310 helixtrans-79.6-8175.6-61.8-45.9000112.2V291 A292 E293 C337 S338 T339 I342V291-D295 HydrophobicContact CG1-CB 3.9Å; A292-D295 WeakPolarHBondContact CB-OD2 3.39Å; A292-D295 PolarHBondContact N-OD2 3.02Å; A292-D295 VanDerWaalsContact O-CB 3.31Å; A292-D295 WeakPolarHBondContact O-CB 3.39Å; A292-D295 PolarHBondContact O-N 3.06Å; E293-D295 PolarHBondContact O-N 2.89Å; D295-C337 CarbonylContact O-C 3.03Å; D295-C337 WeakPolarHBondContact O-CA 3.47Å; D295-S338 WeakPolarHBondContact CA-OG 3.31Å; D295-S338 PolarHBondContact O-N 3.36Å; D295-S338 PolarHBondContact O-OG 3.48Å; D295-S338 VanDerWaalsContact O-OG 3.1Å; D295-T339 WeakPolarHBondContact OD1-CB 3.36Å; D295-T339 PolarHBondContact OD1-OG1 3.44Å; D295-I342 HydrophobicContact CB-CD1 4.17Å; D295-I342 WeakPolarHBondContact OD1-CD1 3.31Å; D295-I342 VanDerWaalsContact OD2-CD1 3.26Å; D295-I342 WeakPolarHBondContact OD2-CD1 3.32Å
296L93.2Very high86.4Confident21 Ų2142.1 Ų42.111%0.1125%0.247CC..BIsolated β-bridgetrans-97.9128.8175.3-61.3-178.9000109.9V291 E293 S294 A300 L304 P305 L308 M320 F333 H336V291-L296 HydrophobicContact CG1-CD2 4.33Å; V291-L296 HydrophobicContact CG1-CG 4.45Å; E293-L296 PolarHBondContact O-N 3.38Å; S294-L296 VanDerWaalsContact C-N 3.25Å; L296-A300 HydrophobicContact CB-CB 4.06Å; L296-L304 HydrophobicContact CD2-CD2 4.24Å; L296-P305 HydrophobicContact CD1-CB 4.4Å; L296-P305 HydrophobicContact CD1-CG 3.86Å; L296-L308 HydrophobicContact CD2-CD1 4.38Å; L296-M320 HydrophobicContact CD1-CE 4.25Å; L296-M320 HydrophobicContact CD1-SD 3.89Å; L296-F333 HydrophobicContact CD2-CD2 4.28Å; L296-F333 HydrophobicContact CD2-CE2 4.11Å; L296-H336 CarbonylContact C-O 3.55Å; L296-H336 WeakPolarHBondContact CA-O 3.3Å
297A92Very high87.7Confident6 Ų642.2 Ų42.25%0.0524%0.244CC..  trans-72.4158174.500000110.9S299 A300 H336 Y456A297-S299 PolarHBondContact O-N 2.95Å; A297-A300 WeakPolarHBondContact O-CB 3.15Å; A297-A300 PolarHBondContact O-N 3.18Å; A297-H336 WeakPolarHBondContact CB-O 3.45Å; A297-H336 PolarHBondContact N-O 3.17Å; A297-Y456 HydrophobicContact CB-CE2 3.89Å
298P87.3Confident89Confident88 Ų8841.1 Ų41.157%0.57124%0.237SC*.THydrogen-bonded Turntrans-58.3-19.3176.9-29.740000114.7A300 Y463 I672P298-A300 PolarHBondContact O-N 3.16Å; P298-Y463 HydrophobicContact CB-CE1 4.37Å; P298-Y463 PolarHBondContact O-OH 3.42Å; P298-I672 HydrophobicContact CB-CG2 3.71Å; P298-I672 HydrophobicContact CG-CG2 3.71Å
299S90.4Very high89.9Confident9 Ų938.3 Ų38.36%0.06323%0.23CC..THydrogen-bonded Turntrans-70.7-13.7172560000114.2A297 H336 Q460A297-S299 PolarHBondContact O-N 2.95Å; S299-H336 VanDerWaalsContact C-ND1 3.26Å; S299-H336 PolarHBondContact O-CE1 2.98Å; S299-H336 PolarHBondContact O-ND1 3.32Å; S299-H336 VanDerWaalsContact O-ND1 3.14Å; S299-H336 PolarHBondContact OG-ND1 3.29Å; S299-H336 VanDerWaalsContact OG-ND1 3.08Å; S299-Q460 PolarHBondContact OG-NE2 3.39Å; S299-Q460 PolarHBondContact OG-OE1 2.91Å
300A91.7Very high90.1Very high23 Ų2338.2 Ų38.219%0.1923%0.232CC..SBendtrans-57.5125.2-179.900000110.3L296 A297 P298 L304 H336L296-A300 HydrophobicContact CB-CB 4.06Å; A297-A300 WeakPolarHBondContact O-CB 3.15Å; A297-A300 PolarHBondContact O-N 3.18Å; P298-A300 PolarHBondContact O-N 3.16Å; A300-L304 HydrophobicContact CB-CD2 4.26Å; A300-H336 HydrophobicContact CB-CB 3.91Å; A300-H336 PolarHBondContact N-ND1 2.91Å
301P89Confident90Very high19 Ų1938.1 Ų38.112%0.12323%0.232CC..  trans-70.4149.5-179.929.5-34.7000110.3W303 L304 P305 H336P301-W303 HydrophobicContact CB-CD2 4.45Å; P301-W303 HydrophobicContact CB-CG 4.5Å; P301-W303 HydrophobicContact CB-CZ2 4.26Å; P301-W303 HydrophobicContact CG-CD2 4.15Å; P301-W303 HydrophobicContact CG-CH2 4.28Å; P301-W303 HydrophobicContact CG-CZ2 3.59Å; P301-W303 PolarHBondContact O-N 2.8Å; P301-L304 HydrophobicContact CG-CB 3.94Å; P301-L304 WeakPolarHBondContact O-CB 3.34Å; P301-L304 PolarHBondContact O-N 2.92Å; P301-P305 WeakPolarHBondContact O-CD 3.28Å; P301-H336 WeakPolarHBondContact CD-NE2 3.15Å
302Y86.8Confident89.6Confident64 Ų6445.2 Ų45.225%0.25127%0.265SS..THydrogen-bonded Turntrans-51.9-27.8-174.276.8-87000115.1G552 S586 L587 V600Y302-G552 WeakPolarHBondContact OH-CA 3.21Å; Y302-G552 PolarHBondContact OH-O 3.3Å; Y302-S586 WeakPolarHBondContact CE2-O 3.19Å; Y302-L587 HydrophobicContact CE1-CD2 4.23Å; Y302-L587 HydrophobicContact CE2-CD2 3.87Å; Y302-V600 HydrophobicContact CD1-CG2 3.66Å; Y302-V600 HydrophobicContact CE1-CB 4.47Å; Y302-V600 HydrophobicContact CE1-CG1 4.08Å; Y302-V600 HydrophobicContact CE1-CG2 3.59Å
303W89.1Confident89Confident11 Ų1148 Ų484%0.04227%0.274CS..THydrogen-bonded Turntrans-86.2-19.2-17855.8-99.3000113.6P301 A306 V307 E332 V548 V550 G551 G552P301-W303 HydrophobicContact CB-CD2 4.45Å; P301-W303 HydrophobicContact CB-CG 4.5Å; P301-W303 HydrophobicContact CB-CZ2 4.26Å; P301-W303 HydrophobicContact CG-CD2 4.15Å; P301-W303 HydrophobicContact CG-CH2 4.28Å; P301-W303 HydrophobicContact CG-CZ2 3.59Å; P301-W303 PolarHBondContact O-N 2.8Å; W303-A306 PolarHBondContact O-N 2.83Å; W303-V307 HydrophobicContact CE3-CB 4.38Å; W303-V307 HydrophobicContact CE3-CG2 3.76Å; W303-V307 HydrophobicContact CZ3-CG2 4.24Å; W303-V307 WeakPolarHBondContact O-CG2 3.38Å; W303-V307 PolarHBondContact O-N 2.94Å; W303-E332 HydrophobicContact CH2-CB 4.24Å; W303-E332 HydrophobicContact CH2-CG 3.54Å; W303-E332 HydrophobicContact CZ2-CG 4.16Å; W303-E332 HydrophobicContact CZ3-CG 4.33Å; W303-V548 HydrophobicContact CB-CG1 4.05Å; W303-V550 HydrophobicContact CH2-CG1 3.81Å; W303-V550 HydrophobicContact CZ3-CB 4.43Å; W303-V550 HydrophobicContact CZ3-CG1 3.94Å; W303-G551 VanDerWaalsContact CE2-CA 3.42Å; W303-G551 VanDerWaalsContact CZ2-CA 3.47Å; W303-G551 VanDerWaalsContact CZ2-N 3.26Å; W303-G551 VanDerWaalsContact NE1-C 3.29Å; W303-G552 VanDerWaalsContact CD1-CA 3.42Å
304L91.4Very high88.3Confident0 Ų047.8 Ų47.80%029%0.293CS..Hα-helixtrans-61.6-47.2-175.2176.664.2000112.3L296 A300 P301 A306 V307 L308 E332 H336L296-L304 HydrophobicContact CD2-CD2 4.24Å; A300-L304 HydrophobicContact CB-CD2 4.26Å; P301-L304 HydrophobicContact CG-CB 3.94Å; P301-L304 WeakPolarHBondContact O-CB 3.34Å; P301-L304 PolarHBondContact O-N 2.92Å; L304-A306 VanDerWaalsContact C-N 3.26Å; L304-A306 PolarHBondContact O-N 2.86Å; L304-V307 PolarHBondContact O-N 3.21Å; L304-V307 VanDerWaalsContact O-N 3.14Å; L304-L308 HydrophobicContact CD1-CD1 4.19Å; L304-L308 HydrophobicContact CD1-CG 4.17Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CG 3.36Å; L304-L308 PolarHBondContact O-N 2.84Å; L304-E332 HydrophobicContact CD1-CG 4.39Å; L304-H336 HydrophobicContact CD2-CB 3.87Å
305P91.7Very high87.8Confident16 Ų1646.5 Ų46.510%0.10430%0.295CS..Hα-helixtrans-55.7-41.2177.6-25.233.6000113.1L296 P301 L308 G309 G310 I317 M320L296-P305 HydrophobicContact CD1-CB 4.4Å; L296-P305 HydrophobicContact CD1-CG 3.86Å; P301-P305 WeakPolarHBondContact O-CD 3.28Å; P305-L308 PolarHBondContact O-N 3.44Å; P305-G309 PolarHBondContact O-N 2.99Å; P305-G310 WeakPolarHBondContact O-CA 3.1Å; P305-G310 PolarHBondContact O-N 3.32Å; P305-I317 HydrophobicContact CB-CD1 3.59Å; P305-I317 HydrophobicContact CB-CG2 4.02Å; P305-I317 HydrophobicContact CG-CD1 3.93Å; P305-M320 HydrophobicContact CB-SD 3.68Å
306A87.7Confident87.4Confident44 Ų4450 Ų5036%0.36431%0.31SS..Hα-helixtrans-70.2-36.9179.800000112.6W303 L304 L308 G309 V548W303-A306 PolarHBondContact O-N 2.83Å; L304-A306 VanDerWaalsContact C-N 3.26Å; L304-A306 PolarHBondContact O-N 2.86Å; A306-L308 VanDerWaalsContact C-N 3.26Å; A306-L308 PolarHBondContact O-N 2.97Å; A306-G309 PolarHBondContact O-N 3.32Å; A306-V548 HydrophobicContact CB-CB 4.47Å; A306-V548 HydrophobicContact CB-CG1 4.36Å; A306-V548 HydrophobicContact CB-CG2 3.89Å
307V87.1Confident87.1Confident39 Ų3951 Ų5124%0.23632%0.315CS..Hα-helixtrans-63.5-33173168.20000111.8W303 L304 G309 V329 V548 V550W303-V307 HydrophobicContact CE3-CB 4.38Å; W303-V307 HydrophobicContact CE3-CG2 3.76Å; W303-V307 HydrophobicContact CZ3-CG2 4.24Å; W303-V307 WeakPolarHBondContact O-CG2 3.38Å; W303-V307 PolarHBondContact O-N 2.94Å; L304-V307 PolarHBondContact O-N 3.21Å; L304-V307 VanDerWaalsContact O-N 3.14Å; V307-G309 PolarHBondContact O-N 3.46Å; V307-V329 HydrophobicContact CG1-CG1 4.1Å; V307-V329 HydrophobicContact CG1-CG2 3.76Å; V307-V548 HydrophobicContact CG2-CB 4.08Å; V307-V548 HydrophobicContact CG2-CG1 3.7Å; V307-V550 HydrophobicContact CG1-CG2 4.3Å
308L89.9Confident87Confident3 Ų352.4 Ų52.42%0.01633%0.326CS..THydrogen-bonded Turntrans-76.22.7173.3-60.9174.2000113.1L296 L304 P305 A306 M320 H321 V322 V329 F333L296-L308 HydrophobicContact CD2-CD1 4.38Å; L304-L308 HydrophobicContact CD1-CD1 4.19Å; L304-L308 HydrophobicContact CD1-CG 4.17Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CG 3.36Å; L304-L308 PolarHBondContact O-N 2.84Å; P305-L308 PolarHBondContact O-N 3.44Å; A306-L308 VanDerWaalsContact C-N 3.26Å; A306-L308 PolarHBondContact O-N 2.97Å; L308-M320 HydrophobicContact CB-CB 3.9Å; L308-M320 HydrophobicContact CB-CG 3.98Å; L308-M320 HydrophobicContact CB-SD 4.43Å; L308-M320 HydrophobicContact CD1-SD 4.36Å; L308-M320 CarbonylContact O-C 3.57Å; L308-M320 VanDerWaalsContact O-CA 3.28Å; L308-M320 WeakPolarHBondContact O-CA 3.29Å; L308-H321 PolarHBondContact O-N 3.45Å; L308-H321 PolarHBondContact O-ND1 3.43Å; L308-V322 HydrophobicContact CD2-CG2 3.88Å; L308-V329 HydrophobicContact CD2-CG1 4.02Å; L308-F333 HydrophobicContact CD1-CD2 3.9Å; L308-F333 HydrophobicContact CD1-CE2 4.37Å; L308-F333 HydrophobicContact CD2-CD2 4.42Å
309G87Confident87Confident33 Ų3351 Ų5134%0.3433%0.328SS..THydrogen-bonded Turntrans83.110.8-179.300000114.5P305 A306 V307P305-G309 PolarHBondContact O-N 2.99Å; A306-G309 PolarHBondContact O-N 3.32Å; V307-G309 PolarHBondContact O-N 3.46Å
310G88.2Confident87.2Confident13 Ų1350.7 Ų50.713%0.13433%0.325CS..  trans-62.1139.9177.100000112.6P305 A318P305-G310 WeakPolarHBondContact O-CA 3.1Å; P305-G310 PolarHBondContact O-N 3.32Å; G310-A318 WeakPolarHBondContact CA-O 3.29Å
311K85.9Confident87.1Confident161 Ų16153.2 Ų53.270%0.733%0.333SS*.EExtended strand (participates in β ladder)trans-127.8138.9172.7-63.7-175.5-179.4-177.20109.6N313 A318K311-N313 PolarHBondContact O-N 2.79Å; K311-A318 PolarHBondContact N-O 2.88Å; K311-A318 PolarHBondContact O-N 2.81Å
312E83Confident87Confident159 Ų15952.3 Ų52.374%0.74333%0.327SS*.EExtended strand (participates in β ladder)trans-64.1125.8172.2-166.6176.7177.700109.5H316E312-H316 WeakPolarHBondContact CA-O 3.37Å
313N80.6Confident86.8Confident103 Ų10351.5 Ų51.555%0.55133%0.331SS*.EExtended strand (participates in β ladder)trans-144.5108.7178.5-175.720.7000108.4K311 G315 H316 A318K311-N313 PolarHBondContact O-N 2.79Å; N313-G315 PolarHBondContact O-N 2.76Å; N313-H316 PolarHBondContact N-O 2.66Å; N313-H316 PolarHBondContact O-CE1 3.39Å; N313-H316 PolarHBondContact O-N 3.47Å; N313-H316 PolarHBondContact O-ND1 3.24Å; N313-H316 PolarHBondContact O-NE2 3.45Å; N313-A318 HydrophobicContact CB-CB 4.48Å
314G76.8Confident86.6Confident76 Ų7651 Ų5178%0.78433%0.329SS*.THydrogen-bonded Turntrans61.340.7177.900000114.4H316G314-H316 VanDerWaalsContact C-N 3.32Å; G314-H316 PolarHBondContact O-N 2.6Å; G314-H316 PolarHBondContact O-ND1 3.12Å
315G81.4Confident86.1Confident69 Ų6953.8 Ų53.871%0.71134%0.343SS*.THydrogen-bonded Turntrans79.74.7175.700000115.8N313N313-G315 PolarHBondContact O-N 2.76Å
316H84.9Confident85.4Confident93 Ų9354 Ų5443%0.43135%0.346SS..EExtended strand (participates in β ladder)trans-131.3160.9173.761.7-84.4000110.3E293 E312 N313 G314E293-H316 WeakPolarHBondContact OE2-CA 3.27Å; E293-H316 WeakPolarHBondContact OE2-CB 3.24Å; E312-H316 WeakPolarHBondContact CA-O 3.37Å; N313-H316 PolarHBondContact N-O 2.66Å; N313-H316 PolarHBondContact O-CE1 3.39Å; N313-H316 PolarHBondContact O-N 3.47Å; N313-H316 PolarHBondContact O-ND1 3.24Å; N313-H316 PolarHBondContact O-NE2 3.45Å; G314-H316 VanDerWaalsContact C-N 3.32Å; G314-H316 PolarHBondContact O-N 2.6Å; G314-H316 PolarHBondContact O-ND1 3.12Å
317I88.1Confident85.3Confident43 Ų4353.3 Ų53.322%0.22134%0.336CS..EExtended strand (participates in β ladder)trans-95.2119.5179-54.5178.3000109.7E293 P305 M320E293-I317 PolarHBondContact OE2-N 3.08Å; P305-I317 HydrophobicContact CB-CD1 3.59Å; P305-I317 HydrophobicContact CB-CG2 4.02Å; P305-I317 HydrophobicContact CG-CD1 3.93Å; I317-M320 HydrophobicContact CB-CE 4.28Å; I317-M320 HydrophobicContact CG2-CE 4.05Å; I317-M320 HydrophobicContact CG2-CG 4.17Å; I317-M320 HydrophobicContact CG2-SD 3.95Å
318A88.8Confident85Confident34 Ų3454.9 Ų54.928%0.28134%0.343SS..EExtended strand (participates in β ladder)trans-119.9161.1-178.700000112.6G310 K311 N313G310-A318 WeakPolarHBondContact CA-O 3.29Å; K311-A318 PolarHBondContact N-O 2.88Å; K311-A318 PolarHBondContact O-N 2.81Å; N313-A318 HydrophobicContact CB-CB 4.48Å
319G88.3Confident84.8Confident58 Ų5855.6 Ų55.660%0.59835%0.347SS*.  trans84.511.117400000115.6H321G319-H321 PolarHBondContact O-ND1 3.31Å
320M93Very high85Confident3 Ų354 Ų542%0.01533%0.331CS..EExtended strand (participates in β ladder)trans-69.4138.6178.7-67.9-179.6-72.300112V291 E293 L296 P305 L308 I317V291-M320 HydrophobicContact CB-CB 4.07Å; V291-M320 PolarHBondContact N-O 3.39Å; V291-M320 WeakPolarHBondContact O-CB 3.34Å; E293-M320 HydrophobicContact CB-CE 4.05Å; L296-M320 HydrophobicContact CD1-CE 4.25Å; L296-M320 HydrophobicContact CD1-SD 3.89Å; P305-M320 HydrophobicContact CB-SD 3.68Å; L308-M320 HydrophobicContact CB-CB 3.9Å; L308-M320 HydrophobicContact CB-CG 3.98Å; L308-M320 HydrophobicContact CB-SD 4.43Å; L308-M320 HydrophobicContact CD1-SD 4.36Å; L308-M320 CarbonylContact O-C 3.57Å; L308-M320 VanDerWaalsContact O-CA 3.28Å; L308-M320 WeakPolarHBondContact O-CA 3.29Å; I317-M320 HydrophobicContact CB-CE 4.28Å; I317-M320 HydrophobicContact CG2-CE 4.05Å; I317-M320 HydrophobicContact CG2-CG 4.17Å; I317-M320 HydrophobicContact CG2-SD 3.95Å
321H90.6Very high85Confident77 Ų7754.6 Ų54.636%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-146.4142.8175.257.2-74.9000111.1D288 I289 L308 G319D288-H321 WeakPolarHBondContact OD1-CB 3.34Å; D288-H321 IonicContact OD1-CD2 2.96Å; D288-H321 IonicContact OD1-CG 2.84Å; I289-H321 CarbonylContact O-C 3.58Å; I289-H321 VanDerWaalsContact O-CA 3.26Å; I289-H321 WeakPolarHBondContact O-CA 3.26Å; L308-H321 PolarHBondContact O-N 3.45Å; L308-H321 PolarHBondContact O-ND1 3.43Å; G319-H321 PolarHBondContact O-ND1 3.31Å
322V87.7Confident85.3Confident0 Ų047.9 Ų47.90%030%0.304CS..EExtended strand (participates in β ladder)trans-91.4118.1178.4179.90000109.9I289 V291 L308 V330 F333 V346I289-V322 PolarHBondContact O-N 2.91Å; V291-V322 HydrophobicContact CG2-CG2 3.64Å; L308-V322 HydrophobicContact CD2-CG2 3.88Å; V322-V330 HydrophobicContact CG1-CG2 4.16Å; V322-F333 HydrophobicContact CG1-CD1 4.43Å; V322-F333 HydrophobicContact CG1-CG 4.5Å; V322-F333 HydrophobicContact CG2-CB 4.48Å; V322-F333 HydrophobicContact CG2-CD1 3.83Å; V322-F333 HydrophobicContact CG2-CD2 3.59Å; V322-F333 HydrophobicContact CG2-CE1 3.91Å; V322-F333 HydrophobicContact CG2-CE2 3.66Å; V322-F333 HydrophobicContact CG2-CG 3.66Å; V322-F333 HydrophobicContact CG2-CZ 3.8Å; V322-V346 HydrophobicContact CG1-CG1 4.19Å; V322-V346 HydrophobicContact CG1-CG2 4.41Å
323S82.2Confident85.8Confident46 Ų4640.3 Ų40.332%0.32227%0.268SS..  trans-86.7120.3170.7-1730000111.2I325S323-I325 PolarHBondContact O-N 3.48Å; S323-I325 VanDerWaalsContact O-N 3.11Å; S323-I325 WeakPolarHBondContact OG-CG2 3.43Å; S323-I325 PolarHBondContact OG-N 3.39Å
324L85.1Confident86.5Confident0 Ų035.6 Ų35.60%024%0.243CC..THydrogen-bonded Turntrans-74.89.3176-58.2179.2000113.6A258 V330 V346 Y349 R353A258-L324 HydrophobicContact CB-CB 4.4Å; L324-V330 HydrophobicContact CD2-CG2 4.03Å; L324-V346 HydrophobicContact CD2-CG1 4.22Å; L324-Y349 VanDerWaalsContact CD1-CB 3.49Å; L324-Y349 HydrophobicContact CD1-CG 4.33Å; L324-R353 WeakPolarHBondContact O-CD 3.19Å; L324-R353 VanDerWaalsContact O-CZ 3.23Å; L324-R353 PolarHBondContact O-NE 3.49Å; L324-R353 PolarHBondContact O-NH1 3.35Å
325I79.3Confident87.3Confident59 Ų5932.2 Ų32.230%0.30321%0.207SC..THydrogen-bonded Turntrans-80.4-29.9178.5-157.3-177.5000112.7A258 I259 S323A258-I325 HydrophobicContact CB-CB 4.36Å; I259-I325 HydrophobicContact CD1-CD1 3.49Å; I259-I325 VanDerWaalsContact CD1-CD1 3.49Å; I259-I325 HydrophobicContact CD1-CG1 4.26Å; I259-I325 HydrophobicContact CG1-CD1 4.17Å; I259-I325 HydrophobicContact CG1-CG1 4.48Å; S323-I325 PolarHBondContact O-N 3.48Å; S323-I325 VanDerWaalsContact O-N 3.11Å; S323-I325 WeakPolarHBondContact OG-CG2 3.43Å; S323-I325 PolarHBondContact OG-N 3.39Å
326S78.8Confident87.9Confident22 Ų2229.1 Ų29.115%0.15417%0.174CC..  trans-106.3117.8-174.7174.80000110.4D328 V329 V330S326-D328 PolarHBondContact O-N 3.36Å; S326-D328 PolarHBondContact OG-N 3.19Å; S326-V329 PolarHBondContact OG-N 3.43Å; S326-V330 WeakPolarHBondContact O-CG2 3.36Å; S326-V330 PolarHBondContact O-N 3.08Å; S326-V330 VanDerWaalsContact O-N 3.15Å
327N84.3Confident88.4Confident29 Ų2924.7 Ų24.716%0.15515%0.154CC..Hα-helixtrans-60.7-37.3172.9-73-22.7000111.6V330 S331 W350 R353N327-V330 PolarHBondContact O-N 3.47Å; N327-S331 VanDerWaalsContact O-CB 3.32Å; N327-S331 WeakPolarHBondContact O-CB 3.35Å; N327-S331 PolarHBondContact O-N 2.65Å; N327-W350 HydrophobicContact CB-CZ2 4.48Å; N327-W350 PolarHBondContact OD1-NE1 3.05Å; N327-R353 PolarHBondContact OD1-NH2 3.27Å
328D81.4Confident88.6Confident72 Ų7224.5 Ų24.539%0.38516%0.156SC..Hα-helixtrans-67.9-44-176.8-52.9-34.8000111.2L10 S326 E332 V550L10-D328 WeakPolarHBondContact CD1-OD1 3.49Å; S326-D328 PolarHBondContact O-N 3.36Å; S326-D328 PolarHBondContact OG-N 3.19Å; D328-E332 WeakPolarHBondContact O-CB 3.5Å; D328-E332 PolarHBondContact O-N 3Å; D328-V550 HydrophobicContact CB-CG1 4.43Å
329V86Confident88.8Confident17 Ų1724.7 Ų24.710%0.10315%0.154CC..Hα-helixtrans-65.6-43.3177.1176.70000111.1V307 L308 S326 E332 F333 V550V307-V329 HydrophobicContact CG1-CG1 4.1Å; V307-V329 HydrophobicContact CG1-CG2 3.76Å; L308-V329 HydrophobicContact CD2-CG1 4.02Å; S326-V329 PolarHBondContact OG-N 3.43Å; V329-E332 PolarHBondContact O-N 2.94Å; V329-F333 VanDerWaalsContact O-CB 3.28Å; V329-F333 WeakPolarHBondContact O-CB 3.32Å; V329-F333 PolarHBondContact O-N 3.08Å; V329-V550 HydrophobicContact CG2-CG2 3.9Å
330V90.1Very high88.9Confident0 Ų022.7 Ų22.70%013%0.13CC..Hα-helixtrans-65.7-45.8179.11740000111.4V322 L324 S326 N327 E332 F333 L334 V346 W350V322-V330 HydrophobicContact CG1-CG2 4.16Å; L324-V330 HydrophobicContact CD2-CG2 4.03Å; S326-V330 WeakPolarHBondContact O-CG2 3.36Å; S326-V330 PolarHBondContact O-N 3.08Å; S326-V330 VanDerWaalsContact O-N 3.15Å; N327-V330 PolarHBondContact O-N 3.47Å; V330-E332 VanDerWaalsContact C-N 3.32Å; V330-E332 PolarHBondContact O-N 3.14Å; V330-F333 PolarHBondContact O-N 3.23Å; V330-L334 HydrophobicContact CG1-CD1 4.04Å; V330-L334 HydrophobicContact CG1-CG 4.39Å; V330-L334 WeakPolarHBondContact O-CG 3.48Å; V330-L334 PolarHBondContact O-N 2.76Å; V330-V346 HydrophobicContact CG1-CG1 3.68Å; V330-W350 HydrophobicContact CB-CD2 4.28Å; V330-W350 HydrophobicContact CB-CG 4.45Å; V330-W350 HydrophobicContact CG1-CB 3.96Å; V330-W350 HydrophobicContact CG1-CD2 3.44Å; V330-W350 VanDerWaalsContact CG1-CD2 3.44Å; V330-W350 HydrophobicContact CG1-CE3 3.62Å; V330-W350 HydrophobicContact CG1-CG 3.64Å; V330-W350 HydrophobicContact CG1-CZ3 4.31Å
331S90Very high88.8Confident25 Ų2528.1 Ų28.118%0.17516%0.156CC..Hα-helixtrans-61-42.2177.2175.30000111.3N327 K335N327-S331 VanDerWaalsContact O-CB 3.32Å; N327-S331 WeakPolarHBondContact O-CB 3.35Å; N327-S331 PolarHBondContact O-N 2.65Å; S331-K335 WeakPolarHBondContact O-CE 3.22Å; S331-K335 WeakPolarHBondContact O-CG 3.2Å; S331-K335 PolarHBondContact O-N 3.2Å; S331-K335 WeakPolarHBondContact OG-CE 3.38Å; S331-K335 PolarHBondContact OG-NZ 3.11Å
332E90.8Very high88.8Confident20 Ų2025.8 Ų25.89%0.09315%0.146CC..Hα-helixtrans-66.9-44.2176.5-161.977161.200112.3W303 L304 D328 V329 V330 L334 K335 H336W303-E332 HydrophobicContact CH2-CB 4.24Å; W303-E332 HydrophobicContact CH2-CG 3.54Å; W303-E332 HydrophobicContact CZ2-CG 4.16Å; W303-E332 HydrophobicContact CZ3-CG 4.33Å; L304-E332 HydrophobicContact CD1-CG 4.39Å; D328-E332 WeakPolarHBondContact O-CB 3.5Å; D328-E332 PolarHBondContact O-N 3Å; V329-E332 PolarHBondContact O-N 2.94Å; V330-E332 VanDerWaalsContact C-N 3.32Å; V330-E332 PolarHBondContact O-N 3.14Å; E332-L334 VanDerWaalsContact C-N 3.31Å; E332-L334 PolarHBondContact O-N 3.19Å; E332-K335 WeakPolarHBondContact O-CB 3.42Å; E332-K335 PolarHBondContact O-N 3.3Å; E332-K335 IonicContact OE2-NZ 2.92Å; E332-K335 PolarHBondContact OE2-NZ 2.78Å; E332-H336 PolarHBondContact O-CD2 3.05Å; E332-H336 IonicContact OE1-NE2 3.16Å
333F94Very high89.1Confident0 Ų025.8 Ų25.80%015%0.146CC..Hα-helixtrans-56.2-45.3177.1172.7-97000112.1V291 L296 L308 V322 V329 V330 K335 H336 C337 I342 V346V291-F333 HydrophobicContact CB-CE2 4.38Å; V291-F333 HydrophobicContact CG1-CE2 3.81Å; V291-F333 HydrophobicContact CG1-CZ 4.42Å; V291-F333 HydrophobicContact CG2-CE2 3.62Å; V291-F333 HydrophobicContact CG2-CZ 3.76Å; L296-F333 HydrophobicContact CD2-CD2 4.28Å; L296-F333 HydrophobicContact CD2-CE2 4.11Å; L308-F333 HydrophobicContact CD1-CD2 3.9Å; L308-F333 HydrophobicContact CD1-CE2 4.37Å; L308-F333 HydrophobicContact CD2-CD2 4.42Å; V322-F333 HydrophobicContact CG1-CD1 4.43Å; V322-F333 HydrophobicContact CG1-CG 4.5Å; V322-F333 HydrophobicContact CG2-CB 4.48Å; V322-F333 HydrophobicContact CG2-CD1 3.83Å; V322-F333 HydrophobicContact CG2-CD2 3.59Å; V322-F333 HydrophobicContact CG2-CE1 3.91Å; V322-F333 HydrophobicContact CG2-CE2 3.66Å; V322-F333 HydrophobicContact CG2-CG 3.66Å; V322-F333 HydrophobicContact CG2-CZ 3.8Å; V329-F333 VanDerWaalsContact O-CB 3.28Å; V329-F333 WeakPolarHBondContact O-CB 3.32Å; V329-F333 PolarHBondContact O-N 3.08Å; V330-F333 PolarHBondContact O-N 3.23Å; F333-K335 PolarHBondContact O-N 3.48Å; F333-H336 CarbonylContact O-C 3.48Å; F333-H336 PolarHBondContact O-N 3.16Å; F333-C337 HydrophobicContact CD1-CB 4.24Å; F333-C337 HydrophobicContact CD2-CB 4.41Å; F333-C337 HydrophobicContact CE1-CB 3.65Å; F333-C337 HydrophobicContact CE2-CB 3.86Å; F333-C337 HydrophobicContact CZ-CB 3.47Å; F333-C337 VanDerWaalsContact CZ-CB 3.47Å; F333-C337 WeakPolarHBondContact CZ-SG 3.33Å; F333-C337 WeakPolarHBondContact O-CB 3.29Å; F333-C337 PolarHBondContact O-N 3.05Å; F333-I342 HydrophobicContact CE1-CG2 4.02Å; F333-I342 HydrophobicContact CZ-CG2 3.72Å; F333-V346 HydrophobicContact CD1-CB 4.44Å; F333-V346 HydrophobicContact CD1-CG1 4.03Å; F333-V346 HydrophobicContact CD1-CG2 4.18Å; F333-V346 HydrophobicContact CE1-CB 4.22Å; F333-V346 HydrophobicContact CE1-CG1 4.31Å; F333-V346 HydrophobicContact CE1-CG2 3.68Å
334L94.5Very high89.6Confident5 Ų527.8 Ų27.83%0.02615%0.149CC..Hα-helixtrans-63.2-27.9-178.8-73.1174.4000113.5V330 E332 H336 R343 V346 W347 W350 Y456V330-L334 HydrophobicContact CG1-CD1 4.04Å; V330-L334 HydrophobicContact CG1-CG 4.39Å; V330-L334 WeakPolarHBondContact O-CG 3.48Å; V330-L334 PolarHBondContact O-N 2.76Å; E332-L334 VanDerWaalsContact C-N 3.31Å; E332-L334 PolarHBondContact O-N 3.19Å; L334-H336 VanDerWaalsContact C-N 3.29Å; L334-H336 PolarHBondContact O-N 3.27Å; L334-R343 HydrophobicContact CD2-CB 4.07Å; L334-R343 HydrophobicContact CD2-CG 4.28Å; L334-R343 WeakPolarHBondContact CD2-O 3.44Å; L334-V346 HydrophobicContact CD2-CB 4.13Å; L334-V346 HydrophobicContact CD2-CG1 3.98Å; L334-V346 HydrophobicContact CG-CG1 4.24Å; L334-W347 HydrophobicContact CD1-CB 4.21Å; L334-W347 HydrophobicContact CD2-CB 4.28Å; L334-W350 HydrophobicContact CD1-CE3 3.52Å; L334-W350 HydrophobicContact CD1-CZ3 3.58Å; L334-Y456 WeakPolarHBondContact O-CB 3.46Å
335K93.7Very high89.8Confident5 Ų530.2 Ų30.22%0.02216%0.163CC..Hα-helixtrans-71.7-24.5175.6-67.5168-153.21490113.1L7 S331 E332 F333 E455 Y456 E459 Q460L7-K335 HydrophobicContact CD1-CD 4.28Å; S331-K335 WeakPolarHBondContact O-CE 3.22Å; S331-K335 WeakPolarHBondContact O-CG 3.2Å; S331-K335 PolarHBondContact O-N 3.2Å; S331-K335 WeakPolarHBondContact OG-CE 3.38Å; S331-K335 PolarHBondContact OG-NZ 3.11Å; E332-K335 WeakPolarHBondContact O-CB 3.42Å; E332-K335 PolarHBondContact O-N 3.3Å; E332-K335 IonicContact OE2-NZ 2.92Å; E332-K335 PolarHBondContact OE2-NZ 2.78Å; F333-K335 PolarHBondContact O-N 3.48Å; K335-E455 HydrophobicContact CG-CB 4.12Å; K335-Y456 WeakPolarHBondContact O-CD2 3.48Å; K335-E459 HydrophobicContact CB-CB 4.01Å; K335-E459 HydrophobicContact CB-CG 4.08Å; K335-Q460 PolarHBondContact O-NE2 2.74Å; K335-Q460 VanDerWaalsContact O-NE2 3.07Å
336H94.9Very high90.4Very high4 Ų427.4 Ų27.42%0.01915%0.149CC..Hα-helixtrans-119.8-4.7-171-59.4-64.6000114.1L296 A297 S299 A300 P301 L304 E332 F333 L334 S338 E459L296-H336 CarbonylContact C-O 3.55Å; L296-H336 WeakPolarHBondContact CA-O 3.3Å; A297-H336 WeakPolarHBondContact CB-O 3.45Å; A297-H336 PolarHBondContact N-O 3.17Å; S299-H336 VanDerWaalsContact C-ND1 3.26Å; S299-H336 PolarHBondContact O-CE1 2.98Å; S299-H336 PolarHBondContact O-ND1 3.32Å; S299-H336 VanDerWaalsContact O-ND1 3.14Å; S299-H336 PolarHBondContact OG-ND1 3.29Å; S299-H336 VanDerWaalsContact OG-ND1 3.08Å; A300-H336 HydrophobicContact CB-CB 3.91Å; A300-H336 PolarHBondContact N-ND1 2.91Å; P301-H336 WeakPolarHBondContact CD-NE2 3.15Å; L304-H336 HydrophobicContact CD2-CB 3.87Å; E332-H336 PolarHBondContact O-CD2 3.05Å; E332-H336 IonicContact OE1-NE2 3.16Å; F333-H336 CarbonylContact O-C 3.48Å; F333-H336 PolarHBondContact O-N 3.16Å; L334-H336 VanDerWaalsContact C-N 3.29Å; L334-H336 PolarHBondContact O-N 3.27Å; H336-S338 PolarHBondContact O-N 3.01Å; H336-E459 IonicContact CE1-OE1 2.79Å
337C94.7Very high91.1Very high0 Ų027.1 Ų27.10%015%0.145CC..BIsolated β-bridgetrans-77.7117.2176178.80000110.7D295 F333 R343 Y456D295-C337 CarbonylContact O-C 3.03Å; D295-C337 WeakPolarHBondContact O-CA 3.47Å; F333-C337 HydrophobicContact CD1-CB 4.24Å; F333-C337 HydrophobicContact CD2-CB 4.41Å; F333-C337 HydrophobicContact CE1-CB 3.65Å; F333-C337 HydrophobicContact CE2-CB 3.86Å; F333-C337 HydrophobicContact CZ-CB 3.47Å; F333-C337 VanDerWaalsContact CZ-CB 3.47Å; F333-C337 WeakPolarHBondContact CZ-SG 3.33Å; F333-C337 WeakPolarHBondContact O-CB 3.29Å; F333-C337 PolarHBondContact O-N 3.05Å; C337-R343 HydrophobicContact CB-CG 3.7Å; C337-R343 WeakPolarHBondContact O-CD 3.2Å; C337-R343 WeakPolarHBondContact O-CG 3.13Å; C337-R343 PolarHBondContact O-NH1 3.44Å; C337-Y456 WeakPolarHBondContact O-CD2 3.49Å; C337-Y456 VanDerWaalsContact O-CE2 3.31Å; C337-Y456 WeakPolarHBondContact O-CE2 3.24Å
338S92.8Very high91.4Very high39 Ų3928.1 Ų28.127%0.27315%0.148SC..  trans-73.7-29.3179.755.60000113.2S294 D295 H336 S340 R343S294-S338 PolarHBondContact O-OG 2.85Å; S294-S338 VanDerWaalsContact O-OG 3.09Å; D295-S338 WeakPolarHBondContact CA-OG 3.31Å; D295-S338 PolarHBondContact O-N 3.36Å; D295-S338 PolarHBondContact O-OG 3.48Å; D295-S338 VanDerWaalsContact O-OG 3.1Å; H336-S338 PolarHBondContact O-N 3.01Å; S338-S340 PolarHBondContact O-N 3.46Å; S338-R343 PolarHBondContact O-NH1 3Å
339T92.3Very high91.7Very high38 Ų3828.1 Ų28.123%0.23314%0.143CC..  trans-82.4112.8-176.8-54.60000112.8D295 E341 I342 R343D295-T339 WeakPolarHBondContact OD1-CB 3.36Å; D295-T339 PolarHBondContact OD1-OG1 3.44Å; T339-E341 PolarHBondContact O-N 3.29Å; T339-I342 HydrophobicContact CG2-CB 4.27Å; T339-I342 HydrophobicContact CG2-CD1 3.87Å; T339-I342 HydrophobicContact CG2-CG1 3.77Å; T339-I342 PolarHBondContact O-N 3.14Å; T339-R343 PolarHBondContact O-N 2.93Å
340S90.7Very high91.9Very high15 Ų1528.3 Ų28.311%0.10514%0.142CC..Hα-helixtrans-63.3-38.1-175-172.90000113.4S338 I342 R343 K344 D453S338-S340 PolarHBondContact O-N 3.46Å; S340-I342 VanDerWaalsContact C-N 3.32Å; S340-I342 PolarHBondContact O-N 3.4Å; S340-R343 PolarHBondContact O-N 2.82Å; S340-K344 WeakPolarHBondContact O-CB 3.44Å; S340-K344 PolarHBondContact O-N 3.18Å; S340-D453 PolarHBondContact OG-OD1 3.21Å
341E90.3Very high91.9Very high118 Ų11828.4 Ų28.455%0.55114%0.143SC*.Hα-helixtrans-64.9-37.6180-67.967.4-151.700111.5T339 T345T339-E341 PolarHBondContact O-N 3.29Å; E341-T345 WeakPolarHBondContact O-CB 3.11Å; E341-T345 PolarHBondContact O-N 2.98Å; E341-T345 PolarHBondContact O-OG1 3.14Å
342I92Very high91.9Very high27 Ų2732.5 Ų32.514%0.13815%0.154CC..Hα-helixtrans-72.5-45.3175.7-61177.1000109.6I289 D295 F333 T339 S340 K344 T345 V346I289-I342 HydrophobicContact CG2-CG2 4.02Å; D295-I342 HydrophobicContact CB-CD1 4.17Å; D295-I342 WeakPolarHBondContact OD1-CD1 3.31Å; D295-I342 VanDerWaalsContact OD2-CD1 3.26Å; D295-I342 WeakPolarHBondContact OD2-CD1 3.32Å; F333-I342 HydrophobicContact CE1-CG2 4.02Å; F333-I342 HydrophobicContact CZ-CG2 3.72Å; T339-I342 HydrophobicContact CG2-CB 4.27Å; T339-I342 HydrophobicContact CG2-CD1 3.87Å; T339-I342 HydrophobicContact CG2-CG1 3.77Å; T339-I342 PolarHBondContact O-N 3.14Å; S340-I342 VanDerWaalsContact C-N 3.32Å; S340-I342 PolarHBondContact O-N 3.4Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 3.19Å; I342-T345 PolarHBondContact O-N 2.81Å; I342-V346 HydrophobicContact CG2-CG2 4.2Å; I342-V346 WeakPolarHBondContact O-CB 3.46Å; I342-V346 WeakPolarHBondContact O-CG2 3.42Å; I342-V346 PolarHBondContact O-N 3.3Å
343R93.2Very high91.7Very high1 Ų131.8 Ų31.80%0.00415%0.151CC..Hα-helixtrans-53.8-49.4173.9-73.1-161.3-57.7-81.30.4111.6L334 C337 S338 T339 S340 V346 W347 W452 D453L334-R343 HydrophobicContact CD2-CB 4.07Å; L334-R343 HydrophobicContact CD2-CG 4.28Å; L334-R343 WeakPolarHBondContact CD2-O 3.44Å; C337-R343 HydrophobicContact CB-CG 3.7Å; C337-R343 WeakPolarHBondContact O-CD 3.2Å; C337-R343 WeakPolarHBondContact O-CG 3.13Å; C337-R343 PolarHBondContact O-NH1 3.44Å; S338-R343 PolarHBondContact O-NH1 3Å; T339-R343 PolarHBondContact O-N 2.93Å; S340-R343 PolarHBondContact O-N 2.82Å; R343-V346 PolarHBondContact O-N 3.21Å; R343-W347 WeakPolarHBondContact O-CB 3.26Å; R343-W347 PolarHBondContact O-N 2.98Å; R343-W452 HydrophobicContact CB-CB 4.3Å; R343-W452 VanDerWaalsContact CD-O 3.31Å; R343-W452 WeakPolarHBondContact CD-O 3.31Å; R343-W452 PolarHBondContact NE-O 3.13Å; R343-D453 IonicContact CZ-OD1 3.01Å; R343-D453 IonicContact NE-OD1 2.84Å; R343-D453 PolarHBondContact NE-OD1 2.85Å; R343-D453 IonicContact NH2-OD1 3.77Å; R343-D453 PolarHBondContact NH2-OD1 3.31Å
344K92.4Very high91.4Very high88 Ų8831.9 Ų31.938%0.38315%0.151SC..Hα-helixtrans-55.9-52.8176.6179.5179.3176.1-178.80111.1S340 I342 V346 W347 E348 W452S340-K344 WeakPolarHBondContact O-CB 3.44Å; S340-K344 PolarHBondContact O-N 3.18Å; I342-K344 VanDerWaalsContact C-N 3.32Å; I342-K344 PolarHBondContact O-N 3.19Å; K344-V346 PolarHBondContact O-N 3.14Å; K344-W347 PolarHBondContact O-N 3.25Å; K344-E348 WeakPolarHBondContact CE-OE1 3.32Å; K344-E348 HydrophobicContact CG-CG 4.29Å; K344-E348 IonicContact NZ-OE1 3.35Å; K344-E348 WeakPolarHBondContact O-CB 3.41Å; K344-E348 WeakPolarHBondContact O-CG 3.36Å; K344-E348 PolarHBondContact O-N 2.76Å; K344-W452 HydrophobicContact CB-CD2 3.88Å; K344-W452 HydrophobicContact CB-CG 4.06Å; K344-W452 HydrophobicContact CB-CZ2 4.22Å; K344-W452 HydrophobicContact CD-CH2 4.05Å; K344-W452 HydrophobicContact CD-CZ2 3.73Å; K344-W452 HydrophobicContact CG-CD2 3.97Å; K344-W452 HydrophobicContact CG-CE3 4.16Å; K344-W452 HydrophobicContact CG-CH2 4.02Å; K344-W452 HydrophobicContact CG-CZ2 3.8Å; K344-W452 HydrophobicContact CG-CZ3 4.19Å
345T90.5Very high91.1Very high50 Ų5032.6 Ų32.631%0.30716%0.157SC..Hα-helixtrans-57.9-49.4-179-57.80000111.7I289 E341 I342 Y349I289-T345 HydrophobicContact CD1-CG2 4.17Å; E341-T345 WeakPolarHBondContact O-CB 3.11Å; E341-T345 PolarHBondContact O-N 2.98Å; E341-T345 PolarHBondContact O-OG1 3.14Å; I342-T345 PolarHBondContact O-N 2.81Å; T345-Y349 HydrophobicContact CG2-CD2 3.79Å; T345-Y349 HydrophobicContact CG2-CE2 3.48Å; T345-Y349 VanDerWaalsContact CG2-CE2 3.48Å; T345-Y349 WeakPolarHBondContact O-CD2 3.48Å; T345-Y349 PolarHBondContact O-N 2.74Å
346V91.6Very high90.3Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-62.3-46.4178.8170.20000110.8I289 V322 L324 V330 F333 L334 I342 R343 K344 W350I289-V346 HydrophobicContact CB-CG2 4.44Å; I289-V346 HydrophobicContact CD1-CB 4.35Å; I289-V346 HydrophobicContact CD1-CG2 3.51Å; I289-V346 HydrophobicContact CG2-CG2 4.05Å; V322-V346 HydrophobicContact CG1-CG1 4.19Å; V322-V346 HydrophobicContact CG1-CG2 4.41Å; L324-V346 HydrophobicContact CD2-CG1 4.22Å; V330-V346 HydrophobicContact CG1-CG1 3.68Å; F333-V346 HydrophobicContact CD1-CB 4.44Å; F333-V346 HydrophobicContact CD1-CG1 4.03Å; F333-V346 HydrophobicContact CD1-CG2 4.18Å; F333-V346 HydrophobicContact CE1-CB 4.22Å; F333-V346 HydrophobicContact CE1-CG1 4.31Å; F333-V346 HydrophobicContact CE1-CG2 3.68Å; L334-V346 HydrophobicContact CD2-CB 4.13Å; L334-V346 HydrophobicContact CD2-CG1 3.98Å; L334-V346 HydrophobicContact CG-CG1 4.24Å; I342-V346 HydrophobicContact CG2-CG2 4.2Å; I342-V346 WeakPolarHBondContact O-CB 3.46Å; I342-V346 WeakPolarHBondContact O-CG2 3.42Å; I342-V346 PolarHBondContact O-N 3.3Å; R343-V346 PolarHBondContact O-N 3.21Å; K344-V346 PolarHBondContact O-N 3.14Å; V346-W350 WeakPolarHBondContact O-CB 3.36Å; V346-W350 PolarHBondContact O-N 3.14Å
347W93.1Very high89.2Confident17 Ų1740.7 Ų40.76%0.06419%0.193CC..Hα-helixtrans-64.1-47.5-179.5-178.693.4000112L334 R343 K344 Y349 W350 V351 P451 W452 H726 D729L334-W347 HydrophobicContact CD1-CB 4.21Å; L334-W347 HydrophobicContact CD2-CB 4.28Å; R343-W347 WeakPolarHBondContact O-CB 3.26Å; R343-W347 PolarHBondContact O-N 2.98Å; K344-W347 PolarHBondContact O-N 3.25Å; W347-Y349 PolarHBondContact O-N 3.08Å; W347-W350 WeakPolarHBondContact O-CB 3.45Å; W347-W350 PolarHBondContact O-N 3.14Å; W347-W350 VanDerWaalsContact O-N 3.16Å; W347-V351 HydrophobicContact CD2-CG1 4.11Å; W347-V351 HydrophobicContact CD2-CG2 4.24Å; W347-V351 HydrophobicContact CE3-CG2 4.05Å; W347-V351 HydrophobicContact CG-CG1 4.44Å; W347-V351 HydrophobicContact CH2-CG2 3.75Å; W347-V351 HydrophobicContact CZ2-CB 4.45Å; W347-V351 HydrophobicContact CZ2-CG1 3.87Å; W347-V351 HydrophobicContact CZ2-CG2 3.97Å; W347-V351 HydrophobicContact CZ3-CG2 3.81Å; W347-V351 WeakPolarHBondContact O-CG2 3.44Å; W347-V351 PolarHBondContact O-N 2.81Å; W347-P451 HydrophobicContact CH2-CB 4.14Å; W347-P451 HydrophobicContact CH2-CG 4.23Å; W347-P451 HydrophobicContact CZ2-CB 3.55Å; W347-P451 HydrophobicContact CZ2-CG 4.1Å; W347-W452 HydrophobicContact CB-CB 3.59Å; W347-W452 HydrophobicContact CD2-CB 4.31Å; W347-W452 HydrophobicContact CD2-CE3 4.1Å; W347-W452 AromaticContact CE3-CE3 3.6Å; W347-W452 HydrophobicContact CE3-CE3 3.6Å; W347-W452 HydrophobicContact CE3-CZ3 4.15Å; W347-W452 HydrophobicContact CG-CB 3.74Å; W347-W452 HydrophobicContact CZ3-CE3 4.02Å; W347-W452 HydrophobicContact CZ3-CZ3 4.16Å; W347-H726 HydrophobicContact CH2-CB 3.7Å; W347-H726 AromaticContact CH2-CG 3.65Å; W347-H726 AromaticContact CH2-ND1 3.64Å; W347-H726 HydrophobicContact CZ2-CB 4.34Å; W347-H726 AromaticContact CZ3-ND1 3.86Å; W347-D729 HydrophobicContact CH2-CB 4.39Å; W347-D729 HydrophobicContact CZ2-CB 4.36Å
348E90.2Very high87.7Confident50 Ų5045.6 Ų45.623%0.23421%0.212CC..Hα-helixtrans-58.9-47.6179.8-77.5179.4168.400111.2K344 R352K344-E348 WeakPolarHBondContact CE-OE1 3.32Å; K344-E348 HydrophobicContact CG-CG 4.29Å; K344-E348 IonicContact NZ-OE1 3.35Å; K344-E348 WeakPolarHBondContact O-CB 3.41Å; K344-E348 WeakPolarHBondContact O-CG 3.36Å; K344-E348 PolarHBondContact O-N 2.76Å; E348-R352 VanDerWaalsContact O-CB 3.25Å; E348-R352 WeakPolarHBondContact O-CB 3.44Å; E348-R352 WeakPolarHBondContact O-CD 3.4Å; E348-R352 VanDerWaalsContact O-CG 3.23Å; E348-R352 WeakPolarHBondContact O-CG 3.42Å; E348-R352 PolarHBondContact O-N 3.04Å
349Y88Confident86.2Confident72 Ų7250.1 Ų50.128%0.28223%0.227SC..Hα-helixtrans-67.1-37.8176.7-68.8-49.5000112.2A286 I289 L324 T345 W347 R353A286-Y349 HydrophobicContact CB-CD2 4.4Å; A286-Y349 HydrophobicContact CB-CE2 3.81Å; A286-Y349 VanDerWaalsContact N-CE2 3.31Å; I289-Y349 HydrophobicContact CD1-CD2 4.2Å; L324-Y349 VanDerWaalsContact CD1-CB 3.49Å; L324-Y349 HydrophobicContact CD1-CG 4.33Å; T345-Y349 HydrophobicContact CG2-CD2 3.79Å; T345-Y349 HydrophobicContact CG2-CE2 3.48Å; T345-Y349 VanDerWaalsContact CG2-CE2 3.48Å; T345-Y349 WeakPolarHBondContact O-CD2 3.48Å; T345-Y349 PolarHBondContact O-N 2.74Å; W347-Y349 PolarHBondContact O-N 3.08Å; Y349-R353 WeakPolarHBondContact O-CG 3.23Å; Y349-R353 PolarHBondContact O-N 3.48Å
350W89.3Confident84.8Confident21 Ų2148.3 Ų48.38%0.0822%0.216CC..Hα-helixtrans-59.6-56177.5178.518.8000112.2N327 V330 L334 V346 W347 R352 R353 L731N327-W350 HydrophobicContact CB-CZ2 4.48Å; N327-W350 PolarHBondContact OD1-NE1 3.05Å; V330-W350 HydrophobicContact CB-CD2 4.28Å; V330-W350 HydrophobicContact CB-CG 4.45Å; V330-W350 HydrophobicContact CG1-CB 3.96Å; V330-W350 HydrophobicContact CG1-CD2 3.44Å; V330-W350 VanDerWaalsContact CG1-CD2 3.44Å; V330-W350 HydrophobicContact CG1-CE3 3.62Å; V330-W350 HydrophobicContact CG1-CG 3.64Å; V330-W350 HydrophobicContact CG1-CZ3 4.31Å; L334-W350 HydrophobicContact CD1-CE3 3.52Å; L334-W350 HydrophobicContact CD1-CZ3 3.58Å; V346-W350 WeakPolarHBondContact O-CB 3.36Å; V346-W350 PolarHBondContact O-N 3.14Å; W347-W350 WeakPolarHBondContact O-CB 3.45Å; W347-W350 PolarHBondContact O-N 3.14Å; W347-W350 VanDerWaalsContact O-N 3.16Å; W350-R352 VanDerWaalsContact C-N 3.25Å; W350-R352 PolarHBondContact O-N 3.16Å; W350-R353 WeakPolarHBondContact O-CG 3.11Å; W350-R353 PolarHBondContact O-N 3.1Å; W350-L731 HydrophobicContact CD2-CD1 4.45Å; W350-L731 HydrophobicContact CZ2-CD1 4.12Å
351V91.4Very high83.3Confident2 Ų253.1 Ų53.11%0.01225%0.247CC..Hα-helixtrans-74.4-16-173.7-560000113.1W347 T730 L731W347-V351 HydrophobicContact CD2-CG1 4.11Å; W347-V351 HydrophobicContact CD2-CG2 4.24Å; W347-V351 HydrophobicContact CE3-CG2 4.05Å; W347-V351 HydrophobicContact CG-CG1 4.44Å; W347-V351 HydrophobicContact CH2-CG2 3.75Å; W347-V351 HydrophobicContact CZ2-CB 4.45Å; W347-V351 HydrophobicContact CZ2-CG1 3.87Å; W347-V351 HydrophobicContact CZ2-CG2 3.97Å; W347-V351 HydrophobicContact CZ3-CG2 3.81Å; W347-V351 WeakPolarHBondContact O-CG2 3.44Å; W347-V351 PolarHBondContact O-N 2.81Å; V351-T730 CarbonylContact O-C 3.6Å; V351-T730 WeakPolarHBondContact O-CA 3.45Å; V351-T730 PolarHBondContact O-N 3.04Å; V351-T730 VanDerWaalsContact O-N 3.15Å; V351-T730 PolarHBondContact O-OG1 3.06Å; V351-L731 PolarHBondContact O-N 2.75Å
352R88.6Confident81.8Confident110 Ų11050.7 Ų50.742%0.41524%0.243SC..THydrogen-bonded Turntrans-96.8-2.5177.4-66.9170.158.5161.5-11.6114E348 W350 A354 S355 D728E348-R352 VanDerWaalsContact O-CB 3.25Å; E348-R352 WeakPolarHBondContact O-CB 3.44Å; E348-R352 WeakPolarHBondContact O-CD 3.4Å; E348-R352 VanDerWaalsContact O-CG 3.23Å; E348-R352 WeakPolarHBondContact O-CG 3.42Å; E348-R352 PolarHBondContact O-N 3.04Å; W350-R352 VanDerWaalsContact C-N 3.25Å; W350-R352 PolarHBondContact O-N 3.16Å; R352-A354 PolarHBondContact O-N 2.93Å; R352-S355 WeakPolarHBondContact CA-OG 3.47Å; R352-S355 WeakPolarHBondContact O-CB 3.3Å; R352-S355 PolarHBondContact O-N 3.16Å; R352-S355 VanDerWaalsContact O-N 3.14Å; R352-S355 PolarHBondContact O-OG 2.81Å; R352-D728 HydrophobicContact CG-CB 4.26Å; R352-D728 IonicContact CZ-OD2 3.79Å; R352-D728 IonicContact NH1-OD2 2.88Å; R352-D728 PolarHBondContact NH1-OD2 2.9Å
353R87Confident80.2Confident6 Ų652.3 Ų52.32%0.02325%0.254CS..THydrogen-bonded Turntrans-56.1135178.3-68.9-163.9-50.9-104.4-15.3110.9L324 N327 Y349 W350 S355 S734L324-R353 WeakPolarHBondContact O-CD 3.19Å; L324-R353 VanDerWaalsContact O-CZ 3.23Å; L324-R353 PolarHBondContact O-NE 3.49Å; L324-R353 PolarHBondContact O-NH1 3.35Å; N327-R353 PolarHBondContact OD1-NH2 3.27Å; Y349-R353 WeakPolarHBondContact O-CG 3.23Å; Y349-R353 PolarHBondContact O-N 3.48Å; W350-R353 WeakPolarHBondContact O-CG 3.11Å; W350-R353 PolarHBondContact O-N 3.1Å; R353-S355 PolarHBondContact O-N 3.2Å; R353-S355 VanDerWaalsContact O-N 3.15Å; R353-S734 PolarHBondContact NH2-OG 3.45Å
354A88Confident78.7Confident1 Ų154.1 Ų54.11%0.00827%0.273CS..THydrogen-bonded Turntrans54.329179.500000114M253 I254 R352 A367 S368 N369 C733M253-A354 HydrophobicContact CB-CB 4.35Å; M253-A354 HydrophobicContact CG-CB 3.52Å; I254-A354 HydrophobicContact CG1-CB 4.27Å; R352-A354 PolarHBondContact O-N 2.93Å; A354-A367 CarbonylContact C-O 3.47Å; A354-S368 CarbonylContact O-C 3.42Å; A354-S368 WeakPolarHBondContact O-CA 3.21Å; A354-N369 HydrophobicContact CB-CB 4.33Å; A354-N369 WeakPolarHBondContact CB-ND2 3.49Å; A354-N369 PolarHBondContact O-N 3.2Å; A354-C733 WeakPolarHBondContact O-CB 3.49Å
355S87.9Confident77.2Confident21 Ų2152.9 Ų52.915%0.14727%0.271CS..EExtended strand (participates in β ladder)trans-111.5-10.1176.279.10000113.7R352 R353 R357 S368 T730R352-S355 WeakPolarHBondContact CA-OG 3.47Å; R352-S355 WeakPolarHBondContact O-CB 3.3Å; R352-S355 PolarHBondContact O-N 3.16Å; R352-S355 VanDerWaalsContact O-N 3.14Å; R352-S355 PolarHBondContact O-OG 2.81Å; R353-S355 PolarHBondContact O-N 3.2Å; R353-S355 VanDerWaalsContact O-N 3.15Å; S355-R357 PolarHBondContact O-N 2.98Å; S355-R357 VanDerWaalsContact O-N 3.15Å; S355-S368 PolarHBondContact O-OG 3.37Å; S355-T730 WeakPolarHBondContact CB-OG1 3.46Å; S355-T730 PolarHBondContact OG-OG1 2.81Å
356G78.1Confident76.1Confident19 Ų1953 Ų5320%0.19627%0.273CS..EExtended strand (participates in β ladder)trans-59.1111.1-177.300000114Y358 A367 S368G356-Y358 PolarHBondContact O-N 2.84Å; G356-Y358 VanDerWaalsContact O-N 3.11Å; G356-A367 PolarHBondContact N-O 2.98Å; G356-A367 VanDerWaalsContact N-O 3.13Å; G356-A367 CarbonylContact O-C 3.02Å; G356-A367 WeakPolarHBondContact O-CA 3.46Å; G356-A367 PolarHBondContact O-N 2.91Å; G356-A367 VanDerWaalsContact O-O 3.05Å; G356-S368 PolarHBondContact O-N 3.14Å
357R70.2Confident75.4Confident159 Ų15953 Ų5360%0.627%0.273SS*.EExtended strand (participates in β ladder)trans-80.322.9174.5-59.9-176-171.3-95.3-11.8113.3S355 F359 D370S355-R357 PolarHBondContact O-N 2.98Å; S355-R357 VanDerWaalsContact O-N 3.15Å; R357-F359 PolarHBondContact O-N 3.38Å; R357-D370 IonicContact CZ-OD2 3.86Å; R357-D370 VanDerWaalsContact CZ-OD2 3.23Å; R357-D370 IonicContact NH1-OD2 3.23Å; R357-D370 PolarHBondContact NH1-OD2 3.41Å; R357-D370 VanDerWaalsContact NH2-CG 3.27Å; R357-D370 IonicContact NH2-OD1 2.93Å; R357-D370 IonicContact NH2-OD2 3.68Å; R357-D370 PolarHBondContact NH2-OD2 2.7Å
358Y65Low75.1Confident103 Ų10352.6 Ų52.640%0.40427%0.273SS..EExtended strand (participates in β ladder)trans-72.8123.6175.3-58.1-75.3000109.2R273 I282 G356R273-Y358 VanDerWaalsContact NH2-CB 3.28Å; R273-Y358 VanDerWaalsContact NH2-CG 3.34Å; I282-Y358 HydrophobicContact CG2-CD2 4.04Å; I282-Y358 HydrophobicContact CG2-CE2 3.53Å; G356-Y358 PolarHBondContact O-N 2.84Å; G356-Y358 VanDerWaalsContact O-N 3.11Å
359F61.1Low75.2Confident134 Ų13450.2 Ų50.259%0.58826%0.262SS*.EExtended strand (participates in β ladder)trans-75.8125.3176.1-155.4-102.6000109.5R357 P361 G364R357-F359 PolarHBondContact O-N 3.38Å; F359-P361 WeakPolarHBondContact O-CD 3.46Å; F359-G364 VanDerWaalsContact CE2-O 3.28Å; F359-G364 WeakPolarHBondContact CE2-O 3.39Å; F359-G364 VanDerWaalsContact CZ-CA 3.42Å; F359-G364 WeakPolarHBondContact CZ-O 3.4Å
360G61.8Low75.4Confident0 Ų047.5 Ų47.50%025%0.252CS..  trans-77.3111.117400000110.9G272 S362 T363 G364 L365G272-G360 CarbonylContact O-C 3.41Å; G272-G360 WeakPolarHBondContact O-CA 3.43Å; G360-S362 PolarHBondContact O-N 3.32Å; G360-S362 VanDerWaalsContact O-N 3.09Å; G360-T363 PolarHBondContact O-N 3.4Å; G360-G364 PolarHBondContact O-N 3.07Å; G360-L365 PolarHBondContact N-O 3.45Å
361P59.1Low75.5Confident117 Ų11752.1 Ų52.176%0.7628%0.275SS*.THydrogen-bonded Turntrans-61.6-25-17322.4-32.1000113.2F359F359-P361 WeakPolarHBondContact O-CD 3.46Å
362S58.7Low75.5Confident66 Ų6653.5 Ų53.546%0.46228%0.279SS..THydrogen-bonded Turntrans-89.5-12.9-176.642.70000115.5G272 G360G272-S362 PolarHBondContact O-OG 3.24Å; G360-S362 PolarHBondContact O-N 3.32Å; G360-S362 VanDerWaalsContact O-N 3.09Å
363T59.4Low75.8Confident61 Ų6148.2 Ų48.237%0.37426%0.26SS..THydrogen-bonded Turntrans-135.7-13.8-173.464.30000114.6G272 G360 L365G272-T363 WeakPolarHBondContact CA-OG1 3.25Å; G272-T363 PolarHBondContact O-OG1 2.89Å; G360-T363 PolarHBondContact O-N 3.4Å; T363-L365 PolarHBondContact O-N 2.91Å; T363-L365 WeakPolarHBondContact OG1-CB 3.08Å; T363-L365 PolarHBondContact OG1-N 3.34Å; T363-L365 VanDerWaalsContact OG1-N 3.13Å
364G60.8Low76.2Confident39 Ų3950 Ų5040%0.40227%0.268SS..  trans71.36.5-170.600000114.8F359 G360F359-G364 VanDerWaalsContact CE2-O 3.28Å; F359-G364 WeakPolarHBondContact CE2-O 3.39Å; F359-G364 VanDerWaalsContact CZ-CA 3.42Å; F359-G364 WeakPolarHBondContact CZ-O 3.4Å; G360-G364 PolarHBondContact O-N 3.07Å
365L60.5Low76.5Confident62 Ų6252.4 Ų52.433%0.32528%0.281SS..  trans-89140.5-177.8-62.9170.2000111.7K269 G360 T363K269-L365 WeakPolarHBondContact O-CD1 3.47Å; G360-L365 PolarHBondContact N-O 3.45Å; T363-L365 PolarHBondContact O-N 2.91Å; T363-L365 WeakPolarHBondContact OG1-CB 3.08Å; T363-L365 PolarHBondContact OG1-N 3.34Å; T363-L365 VanDerWaalsContact OG1-N 3.13Å
366C68.5Low76.9Confident52 Ų5251.4 Ų51.435%0.35127%0.274SS..EExtended strand (participates in β ladder)trans-89135.5168.2-65.90000109.8M253 S368M253-C366 WeakPolarHBondContact CE-O 3.37Å; C366-S368 PolarHBondContact O-N 3.27Å
367A76.1Confident77.7Confident1 Ų150.9 Ų50.91%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-73.443.4170.700000112.7M253 L283 A354 G356M253-A367 HydrophobicContact SD-CB 4.42Å; L283-A367 HydrophobicContact CD2-CB 3.31Å; A354-A367 CarbonylContact C-O 3.47Å; G356-A367 PolarHBondContact N-O 2.98Å; G356-A367 VanDerWaalsContact N-O 3.13Å; G356-A367 CarbonylContact O-C 3.02Å; G356-A367 WeakPolarHBondContact O-CA 3.46Å; G356-A367 PolarHBondContact O-N 2.91Å; G356-A367 VanDerWaalsContact O-O 3.05Å
368S87.7Confident78.9Confident9 Ų948.4 Ų48.46%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-136.3141.3-173.1-173.50000111.9A354 S355 G356 C366 D370 R372A354-S368 CarbonylContact O-C 3.42Å; A354-S368 WeakPolarHBondContact O-CA 3.21Å; S355-S368 PolarHBondContact O-OG 3.37Å; G356-S368 PolarHBondContact O-N 3.14Å; C366-S368 PolarHBondContact O-N 3.27Å; S368-D370 WeakPolarHBondContact OG-CB 3.34Å; S368-D370 PolarHBondContact OG-N 3.23Å; S368-R372 PolarHBondContact O-NH1 3.08Å
369N92.8Very high80.4Confident0 Ų044.9 Ų44.90%025%0.249CC..SBendtrans-923.3171.5-79.6-16000113.1F250 M253 A354 Q371 R372 I373 C733F250-N369 HydrophobicContact CD2-CB 3.59Å; F250-N369 VanDerWaalsContact CD2-CG 3.43Å; F250-N369 VanDerWaalsContact CD2-ND2 3.31Å; F250-N369 WeakPolarHBondContact CD2-ND2 3.49Å; F250-N369 HydrophobicContact CE2-CB 3.57Å; F250-N369 WeakPolarHBondContact CE2-ND2 3.2Å; F250-N369 PolarHBondContact O-ND2 3.35Å; M253-N369 VanDerWaalsContact CB-OD1 3.31Å; M253-N369 WeakPolarHBondContact CB-OD1 3.41Å; M253-N369 WeakPolarHBondContact CG-OD1 3.47Å; A354-N369 HydrophobicContact CB-CB 4.33Å; A354-N369 WeakPolarHBondContact CB-ND2 3.49Å; A354-N369 PolarHBondContact O-N 3.2Å; N369-Q371 PolarHBondContact O-N 2.88Å; N369-R372 PolarHBondContact O-N 3.07Å; N369-R372 VanDerWaalsContact O-N 3.16Å; N369-R372 WeakPolarHBondContact OD1-CD 3.3Å; N369-I373 WeakPolarHBondContact O-CG1 3.45Å; N369-I373 PolarHBondContact O-N 3.05Å; N369-C733 HydrophobicContact CB-CB 4.32Å; N369-C733 VanDerWaalsContact CB-O 3.31Å; N369-C733 WeakPolarHBondContact CB-O 3.26Å; N369-C733 PolarHBondContact ND2-O 2.92Å
370D91.5Very high82.1Confident14 Ų1439 Ų398%0.07522%0.223CC..Hα-helixtrans-52.5-48.6-177.7-171.750.8000113R357 S368 K708 W709R357-D370 IonicContact CZ-OD2 3.86Å; R357-D370 VanDerWaalsContact CZ-OD2 3.23Å; R357-D370 IonicContact NH1-OD2 3.23Å; R357-D370 PolarHBondContact NH1-OD2 3.41Å; R357-D370 VanDerWaalsContact NH2-CG 3.27Å; R357-D370 IonicContact NH2-OD1 2.93Å; R357-D370 IonicContact NH2-OD2 3.68Å; R357-D370 PolarHBondContact NH2-OD2 2.7Å; S368-D370 WeakPolarHBondContact OG-CB 3.34Å; S368-D370 PolarHBondContact OG-N 3.23Å; D370-K708 WeakPolarHBondContact OD1-CE 3.31Å; D370-K708 IonicContact OD1-NZ 3.26Å; D370-K708 PolarHBondContact OD1-NZ 3.05Å; D370-K708 WeakPolarHBondContact OD2-CE 3.46Å; D370-K708 IonicContact OD2-NZ 2.65Å; D370-K708 PolarHBondContact OD2-NZ 2.92Å; D370-W709 PolarHBondContact OD1-NE1 3.43Å
371Q90.6Very high83.6Confident119 Ų11942.3 Ų42.356%0.55624%0.236SC*.Hα-helixtrans-73.1-40.1178.8-173.757.14500111.9N369 I373 Q374 D375N369-Q371 PolarHBondContact O-N 2.88Å; Q371-I373 VanDerWaalsContact C-N 3.26Å; Q371-I373 PolarHBondContact O-N 3.21Å; Q371-Q374 CarbonylContact O-C 3.5Å; Q371-Q374 WeakPolarHBondContact O-CA 3.31Å; Q371-Q374 WeakPolarHBondContact O-CB 3.38Å; Q371-Q374 PolarHBondContact O-N 3.3Å; Q371-D375 PolarHBondContact NE2-OD1 3.06Å; Q371-D375 VanDerWaalsContact O-CG 3.25Å; Q371-D375 PolarHBondContact O-N 3.05Å
372R92.4Very high85.3Confident30 Ų3038.3 Ų38.311%0.11321%0.209CC..Hα-helixtrans-59.3-37.3179.2-65.7-178.7177.186.4-0112.3F250 S368 N369 Q374 D375 I376F250-R372 HydrophobicContact CD2-CB 4.5Å; S368-R372 PolarHBondContact O-NH1 3.08Å; N369-R372 PolarHBondContact O-N 3.07Å; N369-R372 VanDerWaalsContact O-N 3.16Å; N369-R372 WeakPolarHBondContact OD1-CD 3.3Å; R372-Q374 VanDerWaalsContact C-N 3.31Å; R372-Q374 PolarHBondContact O-N 3.47Å; R372-D375 PolarHBondContact O-N 3.36Å; R372-I376 WeakPolarHBondContact O-CB 3.39Å; R372-I376 VanDerWaalsContact O-CG1 3.25Å; R372-I376 WeakPolarHBondContact O-CG1 3.43Å; R372-I376 PolarHBondContact O-N 3.38Å
373I95.3Very high87Confident0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-58-45.3172.2-70.3168.3000110.6F250 N369 Q371 R377 W709 F739F250-I373 HydrophobicContact CD2-CG1 4.39Å; F250-I373 HydrophobicContact CE2-CD1 4.22Å; F250-I373 HydrophobicContact CE2-CG1 3.8Å; N369-I373 WeakPolarHBondContact O-CG1 3.45Å; N369-I373 PolarHBondContact O-N 3.05Å; Q371-I373 VanDerWaalsContact C-N 3.26Å; Q371-I373 PolarHBondContact O-N 3.21Å; I373-R377 WeakPolarHBondContact O-CB 3.41Å; I373-R377 WeakPolarHBondContact O-CD 3.44Å; I373-R377 WeakPolarHBondContact O-CG 3.39Å; I373-R377 PolarHBondContact O-N 3.27Å; I373-W709 HydrophobicContact CD1-CG 4.34Å; I373-W709 HydrophobicContact CG2-CB 4.28Å; I373-W709 HydrophobicContact CG2-CG 4.27Å; I373-F739 HydrophobicContact CB-CE1 4.49Å; I373-F739 HydrophobicContact CD1-CD2 4.31Å; I373-F739 HydrophobicContact CD1-CE2 4.12Å; I373-F739 HydrophobicContact CG1-CD1 4.3Å; I373-F739 HydrophobicContact CG1-CD2 4.01Å; I373-F739 HydrophobicContact CG1-CE1 4.39Å; I373-F739 HydrophobicContact CG1-CE2 4.09Å; I373-F739 HydrophobicContact CG1-CG 4.12Å; I373-F739 HydrophobicContact CG1-CZ 4.28Å; I373-F739 HydrophobicContact CG2-CD1 4.31Å; I373-F739 HydrophobicContact CG2-CE1 3.72Å; I373-F739 HydrophobicContact CG2-CE2 4.35Å; I373-F739 HydrophobicContact CG2-CZ 3.74Å
374Q94.3Very high88.7Confident42 Ų4232.3 Ų32.320%0.19617%0.17CC..Hα-helixtrans-67.7-40.3178.5-58.9-53.5-28.400111.9Q371 R372 R377 H378Q371-Q374 CarbonylContact O-C 3.5Å; Q371-Q374 WeakPolarHBondContact O-CA 3.31Å; Q371-Q374 WeakPolarHBondContact O-CB 3.38Å; Q371-Q374 PolarHBondContact O-N 3.3Å; R372-Q374 VanDerWaalsContact C-N 3.31Å; R372-Q374 PolarHBondContact O-N 3.47Å; Q374-R377 PolarHBondContact O-N 3.03Å; Q374-H378 WeakPolarHBondContact O-CB 3.33Å; Q374-H378 PolarHBondContact O-N 2.86Å
375D94.8Very high90.2Very high53 Ų5337.4 Ų37.428%0.28318%0.181SC..Hα-helixtrans-61.6-47.4178.1-58-23.1000110.7E246 Q371 R372 R377 H378 L379E246-D375 HydrophobicContact CG-CB 4.3Å; Q371-D375 PolarHBondContact NE2-OD1 3.06Å; Q371-D375 VanDerWaalsContact O-CG 3.25Å; Q371-D375 PolarHBondContact O-N 3.05Å; R372-D375 PolarHBondContact O-N 3.36Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R377 PolarHBondContact O-N 2.97Å; D375-H378 PolarHBondContact O-N 3.35Å; D375-L379 WeakPolarHBondContact O-CB 3.48Å; D375-L379 VanDerWaalsContact O-CG 3.23Å; D375-L379 WeakPolarHBondContact O-CG 3.19Å; D375-L379 PolarHBondContact O-N 3.18Å
376I95.9Very high91.7Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-58.8-45.6175.5-68.5165.3000110.8E246 E247 F250 R372 H378 L379 R380 W700 F739E246-I376 HydrophobicContact CB-CD1 4.35Å; E246-I376 HydrophobicContact CB-CG1 3.76Å; E247-I376 HydrophobicContact CG-CD1 4.17Å; F250-I376 HydrophobicContact CB-CD1 4.48Å; R372-I376 WeakPolarHBondContact O-CB 3.39Å; R372-I376 VanDerWaalsContact O-CG1 3.25Å; R372-I376 WeakPolarHBondContact O-CG1 3.43Å; R372-I376 PolarHBondContact O-N 3.38Å; I376-H378 PolarHBondContact O-N 3.16Å; I376-L379 PolarHBondContact O-N 3.08Å; I376-R380 WeakPolarHBondContact O-CB 3.48Å; I376-R380 PolarHBondContact O-N 3.33Å; I376-W700 HydrophobicContact CG2-CH2 4.07Å; I376-W700 HydrophobicContact CG2-CZ3 4.34Å; I376-F739 HydrophobicContact CD1-CB 4.06Å; I376-F739 WeakPolarHBondContact CD1-O 3.42Å
377R95.9Very high92.7Very high7 Ų734.7 Ų34.73%0.02616%0.159CC..Hα-helixtrans-64.1-39.5178.5-71.2171.774.8-150.38.9112.2I373 Q374 D375 R381 M699 W700 Y704 T707I373-R377 WeakPolarHBondContact O-CB 3.41Å; I373-R377 WeakPolarHBondContact O-CD 3.44Å; I373-R377 WeakPolarHBondContact O-CG 3.39Å; I373-R377 PolarHBondContact O-N 3.27Å; Q374-R377 PolarHBondContact O-N 3.03Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R377 PolarHBondContact O-N 2.97Å; R377-R381 WeakPolarHBondContact O-CB 3.41Å; R377-R381 PolarHBondContact O-N 3.04Å; R377-R381 VanDerWaalsContact O-N 3.13Å; R377-M699 PolarHBondContact NE-O 3.32Å; R377-M699 VanDerWaalsContact NE-O 3.13Å; R377-W700 HydrophobicContact CG-CH2 4.35Å; R377-W700 HydrophobicContact CG-CZ3 3.92Å; R377-Y704 PolarHBondContact NH2-O 3.18Å; R377-T707 PolarHBondContact NH1-O 3.1Å; R377-T707 PolarHBondContact NH2-O 3.38Å
378H95.7Very high93.3Very high107 Ų10736.5 Ų36.550%0.49518%0.178SC..Hα-helixtrans-66.2-49.2176.9-178.474.4000110.9Q374 D375 I376 R380 R381 T382Q374-H378 WeakPolarHBondContact O-CB 3.33Å; Q374-H378 PolarHBondContact O-N 2.86Å; D375-H378 PolarHBondContact O-N 3.35Å; I376-H378 PolarHBondContact O-N 3.16Å; H378-R380 PolarHBondContact O-N 3.4Å; H378-R381 WeakPolarHBondContact O-CB 3.34Å; H378-R381 PolarHBondContact O-N 3.13Å; H378-R381 VanDerWaalsContact O-N 3.16Å; H378-T382 PolarHBondContact O-N 3.42Å; H378-T382 PolarHBondContact O-OG1 3.12Å
379L96.5Very high93.6Very high29 Ų2936.9 Ų36.915%0.15218%0.18CC..Hα-helixtrans-60.4-44.4179.3-70165.9000112.3A242 V243 E246 D375 I376 R381 T382 L383A242-L379 HydrophobicContact CB-CD1 3.81Å; A242-L379 HydrophobicContact CB-CD2 3.79Å; A242-L379 HydrophobicContact CB-CG 4.46Å; V243-L379 HydrophobicContact CG2-CB 3.47Å; V243-L379 VanDerWaalsContact CG2-CB 3.47Å; V243-L379 HydrophobicContact CG2-CD1 4.06Å; V243-L379 HydrophobicContact CG2-CG 4.37Å; E246-L379 HydrophobicContact CG-CD1 4.24Å; D375-L379 WeakPolarHBondContact O-CB 3.48Å; D375-L379 VanDerWaalsContact O-CG 3.23Å; D375-L379 WeakPolarHBondContact O-CG 3.19Å; D375-L379 PolarHBondContact O-N 3.18Å; I376-L379 PolarHBondContact O-N 3.08Å; L379-R381 VanDerWaalsContact C-N 3.32Å; L379-R381 PolarHBondContact O-N 3.37Å; L379-T382 WeakPolarHBondContact O-CB 3.27Å; L379-T382 PolarHBondContact O-N 3.02Å; L379-L383 WeakPolarHBondContact O-CG 2.93Å; L379-L383 PolarHBondContact O-N 3.27Å
380R95.1Very high93.6Very high12 Ų1242 Ų425%0.04520%0.203CC..Hα-helixtrans-63.7-35.3175.2-81.2-178.7168.3133.89.8113.4V243 E247 I376 H378 L383 A384 W392 W700 L738 S743 C745V243-R380 HydrophobicContact CG2-CG 4.42Å; E247-R380 IonicContact OE1-CZ 2.69Å; E247-R380 IonicContact OE1-NH1 2.7Å; E247-R380 IonicContact OE1-NH2 3.76Å; E247-R380 PolarHBondContact OE1-NH2 3.29Å; I376-R380 WeakPolarHBondContact O-CB 3.48Å; I376-R380 PolarHBondContact O-N 3.33Å; H378-R380 PolarHBondContact O-N 3.4Å; R380-L383 PolarHBondContact O-N 3.37Å; R380-A384 WeakPolarHBondContact O-CB 3.37Å; R380-A384 PolarHBondContact O-N 2.97Å; R380-W392 HydrophobicContact CB-CB 4.42Å; R380-W392 HydrophobicContact CB-CD2 3.88Å; R380-W392 HydrophobicContact CB-CE3 3.61Å; R380-W392 HydrophobicContact CB-CG 4.24Å; R380-W392 HydrophobicContact CB-CZ3 4.19Å; R380-W392 HydrophobicContact CG-CD2 3.87Å; R380-W392 HydrophobicContact CG-CE3 3.71Å; R380-W392 HydrophobicContact CG-CH2 4.21Å; R380-W392 HydrophobicContact CG-CZ2 4.36Å; R380-W392 HydrophobicContact CG-CZ3 3.89Å; R380-W700 HydrophobicContact CB-CZ3 4.45Å; R380-W700 HydrophobicContact CG-CZ3 4.46Å; R380-L738 PolarHBondContact NH1-O 3.24Å; R380-S743 PolarHBondContact NH2-OG 3.32Å; R380-S743 VanDerWaalsContact NH2-OG 3.13Å; R380-C745 PolarHBondContact NH1-SG 3.41Å; R380-C745 PolarHBondContact NH2-SG 3.46Å
381R95.1Very high93.8Very high69 Ų6941.8 Ų41.826%0.2620%0.201SC..Hα-helixtrans-66.9-40.8173.7-169.8-166.9-42.4179.35.5111.5R377 H378 L379 A384 K385 C705 E706R377-R381 WeakPolarHBondContact O-CB 3.41Å; R377-R381 PolarHBondContact O-N 3.04Å; R377-R381 VanDerWaalsContact O-N 3.13Å; H378-R381 WeakPolarHBondContact O-CB 3.34Å; H378-R381 PolarHBondContact O-N 3.13Å; H378-R381 VanDerWaalsContact O-N 3.16Å; L379-R381 VanDerWaalsContact C-N 3.32Å; L379-R381 PolarHBondContact O-N 3.37Å; R381-A384 PolarHBondContact O-N 3.27Å; R381-K385 PolarHBondContact O-N 3.12Å; R381-C705 VanDerWaalsContact CZ-CB 3.47Å; R381-C705 PolarHBondContact NH2-O 2.91Å; R381-E706 IonicContact CZ-OE1 3.33Å; R381-E706 IonicContact NH1-OE1 3.85Å; R381-E706 PolarHBondContact NH1-OE1 3.46Å
382T94.6Very high94Very high32 Ų3237.8 Ų37.820%0.19618%0.181CC..Hα-helixtrans-59.4-50172.7-62.80000110.1V235 H378 L379 A384 K385 Y386V235-T382 HydrophobicContact CG1-CG2 4.07Å; H378-T382 PolarHBondContact O-N 3.42Å; H378-T382 PolarHBondContact O-OG1 3.12Å; L379-T382 WeakPolarHBondContact O-CB 3.27Å; L379-T382 PolarHBondContact O-N 3.02Å; T382-A384 PolarHBondContact O-N 3.35Å; T382-K385 WeakPolarHBondContact O-CB 3.49Å; T382-K385 PolarHBondContact O-N 3.29Å; T382-Y386 HydrophobicContact CG2-CD2 3.82Å; T382-Y386 HydrophobicContact CG2-CE2 3.87Å; T382-Y386 VanDerWaalsContact O-CD2 3.3Å; T382-Y386 WeakPolarHBondContact O-CD2 3.34Å; T382-Y386 PolarHBondContact O-N 2.94Å
383L94.1Very high94.1Very high1 Ų136.7 Ų36.71%0.00518%0.178CC..Hα-helixtrans-53.4-52.2174.2-73.7170.5000112.1I236 Y240 V243 L379 R380 K385 Y386 L387 W392I236-L383 HydrophobicContact CB-CD2 4.45Å; I236-L383 HydrophobicContact CG2-CD2 4.06Å; I236-L383 WeakPolarHBondContact O-CD2 3.47Å; Y240-L383 HydrophobicContact CD1-CD1 3.84Å; Y240-L383 HydrophobicContact CD1-CD2 4.47Å; Y240-L383 HydrophobicContact CD2-CD1 4.45Å; Y240-L383 HydrophobicContact CD2-CD2 3.6Å; Y240-L383 HydrophobicContact CE1-CD1 3.77Å; Y240-L383 HydrophobicContact CE1-CD2 4.46Å; Y240-L383 HydrophobicContact CE2-CD1 4.39Å; Y240-L383 HydrophobicContact CE2-CD2 3.61Å; Y240-L383 HydrophobicContact CG-CD1 4.18Å; Y240-L383 HydrophobicContact CG-CD2 4.05Å; V243-L383 HydrophobicContact CG2-CD1 4.05Å; L379-L383 WeakPolarHBondContact O-CG 2.93Å; L379-L383 PolarHBondContact O-N 3.27Å; R380-L383 PolarHBondContact O-N 3.37Å; L383-K385 VanDerWaalsContact C-N 3.31Å; L383-K385 PolarHBondContact O-N 3.09Å; L383-Y386 PolarHBondContact O-N 2.71Å; L383-Y386 VanDerWaalsContact O-N 3.11Å; L383-L387 WeakPolarHBondContact O-CB 3.08Å; L383-L387 WeakPolarHBondContact O-CG 3.5Å; L383-L387 PolarHBondContact O-N 3.24Å; L383-W392 HydrophobicContact CB-CZ3 4.08Å; L383-W392 HydrophobicContact CD1-CZ3 4.05Å
384A94Very high94.1Very high1 Ų138.1 Ų38.11%0.00819%0.188CC..Hα-helixtrans-55.6-44.9178.800000112.4R380 R381 T382 Y386 L387 G388 C389 D391 V395R380-A384 WeakPolarHBondContact O-CB 3.37Å; R380-A384 PolarHBondContact O-N 2.97Å; R381-A384 PolarHBondContact O-N 3.27Å; T382-A384 PolarHBondContact O-N 3.35Å; A384-Y386 PolarHBondContact O-N 2.8Å; A384-L387 CarbonylContact O-C 3.54Å; A384-L387 PolarHBondContact O-N 3.45Å; A384-G388 PolarHBondContact O-N 2.94Å; A384-C389 CarbonylContact C-O 3.51Å; A384-C389 HydrophobicContact CB-CB 4.22Å; A384-C389 WeakPolarHBondContact O-CA 3.28Å; A384-C389 WeakPolarHBondContact O-CB 3.43Å; A384-C389 PolarHBondContact O-N 2.64Å; A384-D391 VanDerWaalsContact CB-C 3.43Å; A384-D391 WeakPolarHBondContact CB-O 3.48Å; A384-V395 HydrophobicContact CB-CG2 3.7Å
385K93.1Very high94Very high145 Ų14536.3 Ų36.363%0.6318%0.179SC*.Hα-helixtrans-59-45.9176.6178.8-173.4174.8-1740111.9R381 T382 L383 L387 G388R381-K385 PolarHBondContact O-N 3.12Å; T382-K385 WeakPolarHBondContact O-CB 3.49Å; T382-K385 PolarHBondContact O-N 3.29Å; L383-K385 VanDerWaalsContact C-N 3.31Å; L383-K385 PolarHBondContact O-N 3.09Å; K385-L387 VanDerWaalsContact C-N 3.27Å; K385-L387 PolarHBondContact O-N 3.43Å; K385-G388 PolarHBondContact O-N 3.08Å
386Y91.5Very high93.8Very high54 Ų5434.4 Ų34.421%0.21217%0.17CC..Hα-helixtrans-75.3-15.4-179.2-81.1-84.8000113.8I202 V235 I236 T382 L383 A384I202-Y386 HydrophobicContact CD1-CD1 4.24Å; I202-Y386 VanDerWaalsContact CG2-O 3.25Å; I202-Y386 WeakPolarHBondContact CG2-O 3.41Å; V235-Y386 HydrophobicContact CB-CE1 4.25Å; V235-Y386 HydrophobicContact CB-CE2 4.32Å; V235-Y386 HydrophobicContact CG1-CD1 4.49Å; V235-Y386 HydrophobicContact CG1-CD2 3.72Å; V235-Y386 HydrophobicContact CG1-CE1 4.23Å; V235-Y386 HydrophobicContact CG1-CE2 3.43Å; V235-Y386 VanDerWaalsContact CG1-CE2 3.43Å; V235-Y386 HydrophobicContact CG1-CG 4.26Å; I236-Y386 HydrophobicContact CG1-CG 4.47Å; T382-Y386 HydrophobicContact CG2-CD2 3.82Å; T382-Y386 HydrophobicContact CG2-CE2 3.87Å; T382-Y386 VanDerWaalsContact O-CD2 3.3Å; T382-Y386 WeakPolarHBondContact O-CD2 3.34Å; T382-Y386 PolarHBondContact O-N 2.94Å; L383-Y386 PolarHBondContact O-N 2.71Å; L383-Y386 VanDerWaalsContact O-N 3.11Å; A384-Y386 PolarHBondContact O-N 2.8Å
387L90.2Very high93.6Very high3 Ų335.8 Ų35.82%0.01618%0.175CC..THydrogen-bonded Turntrans-91.51.9170.4-67.5171.7000113.3W186 I236 L383 A384 K385 V395W186-L387 HydrophobicContact CH2-CB 4.4Å; W186-L387 HydrophobicContact CZ2-CB 3.92Å; W186-L387 WeakPolarHBondContact CZ2-O 3.42Å; W186-L387 WeakPolarHBondContact O-CD2 3.38Å; I236-L387 HydrophobicContact CD1-CD2 4.06Å; L383-L387 WeakPolarHBondContact O-CB 3.08Å; L383-L387 WeakPolarHBondContact O-CG 3.5Å; L383-L387 PolarHBondContact O-N 3.24Å; A384-L387 CarbonylContact O-C 3.54Å; A384-L387 PolarHBondContact O-N 3.45Å; K385-L387 VanDerWaalsContact C-N 3.27Å; K385-L387 PolarHBondContact O-N 3.43Å; L387-V395 HydrophobicContact CD1-CG1 4.06Å; L387-V395 HydrophobicContact CD1-CG2 4.26Å
388G89.1Confident93.3Very high39 Ų3936.7 Ų36.740%0.40218%0.183SC..THydrogen-bonded Turntrans80.916.1179.200000114.5I202 A384 K385I202-G388 VanDerWaalsContact CG2-N 3.26Å; A384-G388 PolarHBondContact O-N 2.94Å; K385-G388 PolarHBondContact O-N 3.08Å
389C92.7Very high92.8Very high17 Ų1731.8 Ų31.812%0.11516%0.16CC..  trans-102.9151.1-178.8-64.30000112.3A384 D391 V395A384-C389 CarbonylContact C-O 3.51Å; A384-C389 HydrophobicContact CB-CB 4.22Å; A384-C389 WeakPolarHBondContact O-CA 3.28Å; A384-C389 WeakPolarHBondContact O-CB 3.43Å; A384-C389 PolarHBondContact O-N 2.64Å; C389-D391 VanDerWaalsContact C-N 3.35Å; C389-D391 PolarHBondContact O-N 3.16Å; C389-V395 HydrophobicContact CB-CG2 3.69Å
390K93.1Very high92Very high108 Ų10832.9 Ų32.947%0.4717%0.169SC..SBendtrans-67.8-35.1-179.384.3-168.2178.61770112.8S394 D409K390-S394 WeakPolarHBondContact CE-OG 3.11Å; K390-S394 WeakPolarHBondContact CG-OG 3.5Å; K390-D409 IonicContact NZ-OD2 3.75Å; K390-D409 PolarHBondContact NZ-OD2 2.63Å
391D95.1Very high91.5Very high9 Ų933.3 Ų33.35%0.04817%0.171CC..SBendtrans-162-179.2-17857.926.6000110.1A384 C389 L393 S394 V395 W700 S701 K702A384-D391 VanDerWaalsContact CB-C 3.43Å; A384-D391 WeakPolarHBondContact CB-O 3.48Å; C389-D391 VanDerWaalsContact C-N 3.35Å; C389-D391 PolarHBondContact O-N 3.16Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 PolarHBondContact O-N 3.24Å; D391-L393 PolarHBondContact OD1-N 3.4Å; D391-S394 PolarHBondContact O-N 3.05Å; D391-S394 PolarHBondContact OD1-N 2.6Å; D391-V395 PolarHBondContact O-N 2.72Å; D391-W700 WeakPolarHBondContact CB-O 3.49Å; D391-S701 WeakPolarHBondContact OD2-CA 3.09Å; D391-K702 HydrophobicContact CB-CB 4.08Å; D391-K702 PolarHBondContact OD2-N 3Å
392W95Very high90.7Very high35 Ų3531.7 Ų31.713%0.13317%0.17CC..Hα-helixtrans-69-30.3-177.4-176.2-96.5000112.5R380 L383 S394 V395 V396 W700R380-W392 HydrophobicContact CB-CB 4.42Å; R380-W392 HydrophobicContact CB-CD2 3.88Å; R380-W392 HydrophobicContact CB-CE3 3.61Å; R380-W392 HydrophobicContact CB-CG 4.24Å; R380-W392 HydrophobicContact CB-CZ3 4.19Å; R380-W392 HydrophobicContact CG-CD2 3.87Å; R380-W392 HydrophobicContact CG-CE3 3.71Å; R380-W392 HydrophobicContact CG-CH2 4.21Å; R380-W392 HydrophobicContact CG-CZ2 4.36Å; R380-W392 HydrophobicContact CG-CZ3 3.89Å; L383-W392 HydrophobicContact CB-CZ3 4.08Å; L383-W392 HydrophobicContact CD1-CZ3 4.05Å; W392-S394 VanDerWaalsContact C-N 3.3Å; W392-S394 PolarHBondContact O-N 2.9Å; W392-V395 HydrophobicContact CE3-CB 4.45Å; W392-V395 HydrophobicContact CE3-CG2 4.36Å; W392-V395 HydrophobicContact CZ3-CG1 4.49Å; W392-V395 WeakPolarHBondContact O-CB 3.33Å; W392-V395 PolarHBondContact O-N 2.88Å; W392-V395 VanDerWaalsContact O-N 3.08Å; W392-V396 PolarHBondContact O-N 2.67Å; W392-V396 VanDerWaalsContact O-N 3.11Å; W392-W700 HydrophobicContact CB-CB 4.13Å; W392-W700 HydrophobicContact CB-CE3 4.47Å; W392-W700 HydrophobicContact CG-CE3 4.36Å; W392-W700 PolarHBondContact N-O 2.88Å
393L95.5Very high90.3Very high7 Ų731.1 Ų31.14%0.03717%0.165CC..Hα-helixtrans-61.6-40.6174.1-64.3179.8000111.3D391 V395 V396 W397 P408 L697 W700D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 PolarHBondContact O-N 3.24Å; D391-L393 PolarHBondContact OD1-N 3.4Å; L393-V395 VanDerWaalsContact C-N 3.25Å; L393-V395 PolarHBondContact O-N 2.94Å; L393-V396 PolarHBondContact O-N 3.13Å; L393-V396 VanDerWaalsContact O-N 3.16Å; L393-W397 HydrophobicContact CD2-CZ3 4.36Å; L393-W397 WeakPolarHBondContact O-CB 3.32Å; L393-W397 PolarHBondContact O-N 2.91Å; L393-P408 HydrophobicContact CB-CG 3.96Å; L393-P408 HydrophobicContact CD1-CB 4Å; L393-P408 HydrophobicContact CD1-CG 4.24Å; L393-L697 HydrophobicContact CD1-CB 4.49Å; L393-L697 HydrophobicContact CD1-CD2 4.19Å; L393-L697 WeakPolarHBondContact CD1-O 3.45Å; L393-L697 HydrophobicContact CD2-CD2 3.85Å; L393-W700 HydrophobicContact CD2-CB 3.74Å; L393-W700 HydrophobicContact CG-CB 3.86Å
394S94.2Very high90.1Very high31 Ų3131.8 Ų31.822%0.21717%0.17CC..Hα-helixtrans-62.9-28.5173.5-77.20000113.8K390 D391 W392 S398K390-S394 WeakPolarHBondContact CE-OG 3.11Å; K390-S394 WeakPolarHBondContact CG-OG 3.5Å; D391-S394 PolarHBondContact O-N 3.05Å; D391-S394 PolarHBondContact OD1-N 2.6Å; W392-S394 VanDerWaalsContact C-N 3.3Å; W392-S394 PolarHBondContact O-N 2.9Å; S394-S398 PolarHBondContact O-N 3.22Å; S394-S398 PolarHBondContact O-OG 3.01Å
395V92.2Very high90Very high3 Ų332 Ų322%0.01817%0.171CC..Hα-helixtrans-68.7-43.5172.5-179.50000110.6Y183 W186 A384 L387 C389 D391 W392 L393 S398Y183-V395 PolarHBondContact OH-O 2.87Å; W186-V395 HydrophobicContact CH2-CG1 4.08Å; W186-V395 HydrophobicContact CZ3-CG1 4.04Å; A384-V395 HydrophobicContact CB-CG2 3.7Å; L387-V395 HydrophobicContact CD1-CG1 4.06Å; L387-V395 HydrophobicContact CD1-CG2 4.26Å; C389-V395 HydrophobicContact CB-CG2 3.69Å; D391-V395 PolarHBondContact O-N 2.72Å; W392-V395 HydrophobicContact CE3-CB 4.45Å; W392-V395 HydrophobicContact CE3-CG2 4.36Å; W392-V395 HydrophobicContact CZ3-CG1 4.49Å; W392-V395 WeakPolarHBondContact O-CB 3.33Å; W392-V395 PolarHBondContact O-N 2.88Å; W392-V395 VanDerWaalsContact O-N 3.08Å; L393-V395 VanDerWaalsContact C-N 3.25Å; L393-V395 PolarHBondContact O-N 2.94Å; V395-S398 WeakPolarHBondContact O-CB 3.15Å; V395-S398 PolarHBondContact O-N 2.9Å
396V90.8Very high89.9Confident14 Ų1428.9 Ų28.99%0.08517%0.168CC..Hα-helixtrans-65-43.5177.81760000111W392 L393 S398 S399 L747W392-V396 PolarHBondContact O-N 2.67Å; W392-V396 VanDerWaalsContact O-N 3.11Å; L393-V396 PolarHBondContact O-N 3.13Å; L393-V396 VanDerWaalsContact O-N 3.16Å; V396-S398 PolarHBondContact O-N 3.16Å; V396-S399 PolarHBondContact O-N 3.42Å; V396-L747 HydrophobicContact CG1-CD1 4.4Å; V396-L747 HydrophobicContact CG1-CD2 3.71Å; V396-L747 HydrophobicContact CG1-CG 4.05Å
397W91.8Very high90Very high29 Ų2927.4 Ų27.411%0.1117%0.166CC..THydrogen-bonded Turntrans-75.4-1.7177.9-97.5-105.1000114.7L393 S399 H403 P405 P408 L411 L697 G746 Y749L393-W397 HydrophobicContact CD2-CZ3 4.36Å; L393-W397 WeakPolarHBondContact O-CB 3.32Å; L393-W397 PolarHBondContact O-N 2.91Å; W397-S399 VanDerWaalsContact C-N 3.27Å; W397-H403 WeakPolarHBondContact CA-NE2 3.4Å; W397-H403 AromaticContact CD1-CE1 3.31Å; W397-H403 AromaticContact CD1-CG 3.93Å; W397-H403 AromaticContact CD1-ND1 3.48Å; W397-H403 AromaticContact CD1-NE2 3.65Å; W397-H403 AromaticContact CE2-CG 4Å; W397-H403 AromaticContact CG-CD2 3.99Å; W397-H403 AromaticContact CG-CE1 3.96Å; W397-H403 AromaticContact CG-NE2 3.84Å; W397-H403 HydrophobicContact CZ2-CB 4.34Å; W397-H403 AromaticContact NE1-CE1 3.71Å; W397-H403 AromaticContact NE1-CG 3.78Å; W397-H403 AromaticContact NE1-ND1 3.37Å; W397-H403 PolarHBondContact NE1-ND1 3.16Å; W397-H403 PolarHBondContact O-NE2 3.39Å; W397-P405 HydrophobicContact CZ2-CG 4.48Å; W397-P405 PolarHBondContact NE1-O 3.13Å; W397-P408 HydrophobicContact CD2-CG 3.61Å; W397-P408 HydrophobicContact CE3-CG 3.78Å; W397-P408 HydrophobicContact CG-CG 4.1Å; W397-P408 HydrophobicContact CH2-CB 4.42Å; W397-P408 HydrophobicContact CH2-CG 4.11Å; W397-P408 HydrophobicContact CZ2-CB 4.38Å; W397-P408 HydrophobicContact CZ2-CG 4Å; W397-P408 HydrophobicContact CZ3-CG 4.03Å; W397-L411 HydrophobicContact CZ2-CD2 4.4Å; W397-L697 HydrophobicContact CH2-CD2 4.32Å; W397-G746 WeakPolarHBondContact CZ3-O 3.34Å; W397-Y749 HydrophobicContact CH2-CD1 4.07Å; W397-Y749 AromaticContact CH2-CE1 3.41Å; W397-Y749 HydrophobicContact CH2-CE1 3.41Å; W397-Y749 VanDerWaalsContact CH2-CE1 3.41Å; W397-Y749 AromaticContact CZ2-CE1 3.97Å; W397-Y749 HydrophobicContact CZ2-CE1 3.97Å; W397-Y749 HydrophobicContact CZ3-CE1 4.32Å
398S89.5Confident90.2Very high26 Ų2627.8 Ų27.818%0.18217%0.168CC..THydrogen-bonded Turntrans-75.7-19.5171.5-65.40000111.9F205 S394 V395 V396 P400F205-S398 WeakPolarHBondContact CD1-O 3.49Å; F205-S398 WeakPolarHBondContact CE1-O 3.33Å; S394-S398 PolarHBondContact O-N 3.22Å; S394-S398 PolarHBondContact O-OG 3.01Å; V395-S398 WeakPolarHBondContact O-CB 3.15Å; V395-S398 PolarHBondContact O-N 2.9Å; V396-S398 PolarHBondContact O-N 3.16Å; S398-P400 WeakPolarHBondContact O-CD 3.12Å
399S85.6Confident90.4Very high4 Ų430.4 Ų30.43%0.02817%0.173CC..  trans-96.2109.8173.6175.20000110.7Y183 V396 W397 Y401 S402 H403Y183-S399 VanDerWaalsContact CE2-CB 3.46Å; V396-S399 PolarHBondContact O-N 3.42Å; W397-S399 VanDerWaalsContact C-N 3.27Å; S399-Y401 PolarHBondContact O-N 2.81Å; S399-Y401 PolarHBondContact OG-N 2.84Å; S399-S402 WeakPolarHBondContact CB-OG 3.33Å; S399-S402 PolarHBondContact O-N 3.19Å; S399-S402 VanDerWaalsContact O-N 3.12Å; S399-S402 PolarHBondContact OG-OG 3.2Å; S399-H403 PolarHBondContact O-CD2 2.92Å; S399-H403 PolarHBondContact O-NE2 3.48Å; S399-H403 VanDerWaalsContact O-NE2 3.09Å
400P80.1Confident90.5Very high52 Ų5234 Ų3434%0.33819%0.188SC..THydrogen-bonded Turntrans-65.7-8.5176.527.7-33.6000113.2S398 P800 P801S398-P400 WeakPolarHBondContact O-CD 3.12Å; P400-P800 HydrophobicContact CB-CB 4.42Å; P400-P800 HydrophobicContact CB-CG 4.3Å; P400-P800 WeakPolarHBondContact O-CB 3.34Å; P400-P801 WeakPolarHBondContact O-CD 3.25Å
401Y83.3Confident90.6Very high20 Ų2029 Ų298%0.07817%0.166CC..THydrogen-bonded Turntrans-93.7-11.1179.4-63.1-91.2000113G176 D179 V180 S399 A632 S797 P800G176-Y401 WeakPolarHBondContact CA-OH 3.38Å; D179-Y401 HydrophobicContact CB-CD2 4.16Å; D179-Y401 HydrophobicContact CB-CE2 3.34Å; D179-Y401 PolarHBondContact OD2-OH 3.16Å; V180-Y401 HydrophobicContact CG2-CD2 4.36Å; V180-Y401 HydrophobicContact CG2-CG 4.2Å; S399-Y401 PolarHBondContact O-N 2.81Å; S399-Y401 PolarHBondContact OG-N 2.84Å; Y401-A632 WeakPolarHBondContact O-CB 3.5Å; Y401-S797 VanDerWaalsContact CD1-O 3.24Å; Y401-S797 WeakPolarHBondContact CD1-O 3.47Å; Y401-P800 HydrophobicContact CD1-CG 4.46Å; Y401-P800 HydrophobicContact CE1-CG 3.99Å; Y401-P800 HydrophobicContact CE2-CG 4.36Å
402S78.7Confident90.6Very high36 Ų3630.1 Ų30.125%0.25217%0.172SC..THydrogen-bonded Turntrans-90.9-18.2-177.7-68.80000113.9S399S399-S402 WeakPolarHBondContact CB-OG 3.33Å; S399-S402 PolarHBondContact O-N 3.19Å; S399-S402 VanDerWaalsContact O-N 3.12Å; S399-S402 PolarHBondContact OG-OG 3.2Å
403H87.7Confident90.6Very high19 Ų1931.1 Ų31.19%0.08819%0.188CC..  trans-145.9157-170.86489.8000111.2W397 S399 P405 Y749W397-H403 WeakPolarHBondContact CA-NE2 3.4Å; W397-H403 AromaticContact CD1-CE1 3.31Å; W397-H403 AromaticContact CD1-CG 3.93Å; W397-H403 AromaticContact CD1-ND1 3.48Å; W397-H403 AromaticContact CD1-NE2 3.65Å; W397-H403 AromaticContact CE2-CG 4Å; W397-H403 AromaticContact CG-CD2 3.99Å; W397-H403 AromaticContact CG-CE1 3.96Å; W397-H403 AromaticContact CG-NE2 3.84Å; W397-H403 HydrophobicContact CZ2-CB 4.34Å; W397-H403 AromaticContact NE1-CE1 3.71Å; W397-H403 AromaticContact NE1-CG 3.78Å; W397-H403 AromaticContact NE1-ND1 3.37Å; W397-H403 PolarHBondContact NE1-ND1 3.16Å; W397-H403 PolarHBondContact O-NE2 3.39Å; S399-H403 PolarHBondContact O-CD2 2.92Å; S399-H403 PolarHBondContact O-NE2 3.48Å; S399-H403 VanDerWaalsContact O-NE2 3.09Å; H403-P405 PolarHBondContact CE1-O 2.93Å; H403-P405 PolarHBondContact ND1-O 3.42Å; H403-Y749 VanDerWaalsContact CB-OH 3.25Å; H403-Y749 WeakPolarHBondContact CB-OH 3.46Å
404S88.1Confident90.5Very high16 Ų1634.9 Ų34.911%0.11221%0.208CC..SBendtrans-102.2-38.6169.7-36.50000114D634 W753 P801S404-D634 WeakPolarHBondContact CB-OD2 3.49Å; S404-D634 PolarHBondContact N-OD2 2.98Å; S404-D634 VanDerWaalsContact OG-CB 3.28Å; S404-D634 WeakPolarHBondContact OG-CB 3.48Å; S404-D634 PolarHBondContact OG-OD2 3.26Å; S404-W753 PolarHBondContact OG-NE1 2.99Å; S404-P801 VanDerWaalsContact OG-CB 3.22Å; S404-P801 WeakPolarHBondContact OG-CB 3.23Å
405P92.6Very high90.5Very high5 Ų533.7 Ų33.73%0.03220%0.199CC..SBendtrans-63.7139.9177.2-13.423.9000111.1W397 H403 S407 L411 Y749 W753W397-P405 HydrophobicContact CZ2-CG 4.48Å; W397-P405 PolarHBondContact NE1-O 3.13Å; H403-P405 PolarHBondContact CE1-O 2.93Å; H403-P405 PolarHBondContact ND1-O 3.42Å; P405-S407 PolarHBondContact O-N 3.35Å; P405-L411 HydrophobicContact CB-CB 3.9Å; P405-L411 HydrophobicContact CB-CD1 4.39Å; P405-L411 HydrophobicContact CG-CB 4.24Å; P405-L411 HydrophobicContact CG-CD1 3.93Å; P405-L411 HydrophobicContact CG-CD2 4.23Å; P405-L411 HydrophobicContact CG-CG 4.35Å; P405-Y749 VanDerWaalsContact CD-OH 3.24Å; P405-Y749 WeakPolarHBondContact CD-OH 3.45Å; P405-Y749 HydrophobicContact CG-CD2 4.3Å; P405-Y749 HydrophobicContact CG-CE2 3.48Å; P405-Y749 VanDerWaalsContact CG-CE2 3.48Å; P405-W753 HydrophobicContact CB-CH2 3.79Å; P405-W753 HydrophobicContact CB-CZ2 4.3Å; P405-W753 HydrophobicContact CB-CZ3 3.97Å; P405-W753 HydrophobicContact CG-CD2 3.93Å; P405-W753 HydrophobicContact CG-CE3 3.74Å; P405-W753 HydrophobicContact CG-CH2 3.64Å; P405-W753 HydrophobicContact CG-CZ2 3.85Å; P405-W753 HydrophobicContact CG-CZ3 3.58Å
406S90.8Very high90.7Very high79 Ų7933.6 Ų33.655%0.55220%0.199SC*.SBendtrans-54.5-45.7176.9440000113.2E410S406-E410 WeakPolarHBondContact CB-OE2 3.12Å; S406-E410 PolarHBondContact OG-OE2 3.28Å
407S93.7Very high90.9Very high24 Ų2435.8 Ų35.817%0.16821%0.208CC..  trans-147.8157.1177.573.50000111.8P405 D409 E410 L411P405-S407 PolarHBondContact O-N 3.35Å; S407-D409 PolarHBondContact O-N 3Å; S407-E410 PolarHBondContact O-N 2.95Å; S407-E410 WeakPolarHBondContact OG-CB 3.49Å; S407-E410 WeakPolarHBondContact OG-CG 3.36Å; S407-E410 PolarHBondContact OG-N 3.07Å; S407-E410 VanDerWaalsContact OG-N 3.09Å; S407-E410 PolarHBondContact OG-OE1 3.05Å; S407-L411 WeakPolarHBondContact O-CB 3.39Å; S407-L411 PolarHBondContact O-N 3.45Å
408P94.2Very high91.1Very high10 Ų1036.3 Ų36.37%0.06522%0.215CC..Hα-helixtrans-61.6-32.5173-19.430.1000112.6L393 W397 I412L393-P408 HydrophobicContact CB-CG 3.96Å; L393-P408 HydrophobicContact CD1-CB 4Å; L393-P408 HydrophobicContact CD1-CG 4.24Å; W397-P408 HydrophobicContact CD2-CG 3.61Å; W397-P408 HydrophobicContact CE3-CG 3.78Å; W397-P408 HydrophobicContact CG-CG 4.1Å; W397-P408 HydrophobicContact CH2-CB 4.42Å; W397-P408 HydrophobicContact CH2-CG 4.11Å; W397-P408 HydrophobicContact CZ2-CB 4.38Å; W397-P408 HydrophobicContact CZ2-CG 4Å; W397-P408 HydrophobicContact CZ3-CG 4.03Å; P408-I412 VanDerWaalsContact O-CD1 3.27Å; P408-I412 WeakPolarHBondContact O-CD1 3.38Å; P408-I412 WeakPolarHBondContact O-CG1 3.5Å; P408-I412 PolarHBondContact O-N 3.23Å; P408-I412 VanDerWaalsContact O-N 3.09Å
409D94.5Very high91.3Very high95 Ų9535.1 Ų35.151%0.50821%0.207SC..Hα-helixtrans-71.8-43.5-177.8-66.7-45.2000110.7K390 S407 I412 A413K390-D409 IonicContact NZ-OD2 3.75Å; K390-D409 PolarHBondContact NZ-OD2 2.63Å; S407-D409 PolarHBondContact O-N 3Å; D409-I412 PolarHBondContact O-N 3.03Å; D409-A413 WeakPolarHBondContact O-CB 3.49Å; D409-A413 PolarHBondContact O-N 3.21Å
410E93.5Very high91.8Very high92 Ų9236.2 Ų36.243%0.4321%0.21SC..Hα-helixtrans-65.3-43.1172.2-77.3163.3-114.300112S406 S407 I412 A413 D414S406-E410 WeakPolarHBondContact CB-OE2 3.12Å; S406-E410 PolarHBondContact OG-OE2 3.28Å; S407-E410 PolarHBondContact O-N 2.95Å; S407-E410 WeakPolarHBondContact OG-CB 3.49Å; S407-E410 WeakPolarHBondContact OG-CG 3.36Å; S407-E410 PolarHBondContact OG-N 3.07Å; S407-E410 VanDerWaalsContact OG-N 3.09Å; S407-E410 PolarHBondContact OG-OE1 3.05Å; E410-I412 PolarHBondContact O-N 3.48Å; E410-A413 PolarHBondContact O-N 3.41Å; E410-D414 VanDerWaalsContact O-CB 3.31Å; E410-D414 WeakPolarHBondContact O-CB 3.47Å; E410-D414 PolarHBondContact O-N 3.41Å
411L95.4Very high92.4Very high3 Ų336.4 Ų36.42%0.01621%0.213CC..Iπ-helixtrans-52.9-44.617316966.2000111.7W397 P405 S407 V415 L416 L697 Y749 W753W397-L411 HydrophobicContact CZ2-CD2 4.4Å; P405-L411 HydrophobicContact CB-CB 3.9Å; P405-L411 HydrophobicContact CB-CD1 4.39Å; P405-L411 HydrophobicContact CG-CB 4.24Å; P405-L411 HydrophobicContact CG-CD1 3.93Å; P405-L411 HydrophobicContact CG-CD2 4.23Å; P405-L411 HydrophobicContact CG-CG 4.35Å; S407-L411 WeakPolarHBondContact O-CB 3.39Å; S407-L411 PolarHBondContact O-N 3.45Å; L411-V415 HydrophobicContact CD1-CB 4.33Å; L411-V415 WeakPolarHBondContact O-CB 3.46Å; L411-V415 PolarHBondContact O-N 2.89Å; L411-L416 HydrophobicContact CD1-CD1 4.47Å; L411-L416 HydrophobicContact CD1-CD2 4.33Å; L411-L416 HydrophobicContact CD1-CG 4.14Å; L411-L416 HydrophobicContact CD2-CD1 4.25Å; L411-L416 HydrophobicContact CG-CD1 3.98Å; L411-L416 HydrophobicContact CG-CG 4.08Å; L411-L416 PolarHBondContact O-N 3.21Å; L411-L697 HydrophobicContact CD2-CD1 4.02Å; L411-Y749 HydrophobicContact CD1-CD2 3.91Å; L411-Y749 HydrophobicContact CD1-CE2 4.45Å; L411-Y749 HydrophobicContact CD1-CG 4.45Å; L411-Y749 HydrophobicContact CD2-CD1 3.71Å; L411-Y749 HydrophobicContact CD2-CD2 3.55Å; L411-Y749 HydrophobicContact CD2-CE1 4.17Å; L411-Y749 HydrophobicContact CD2-CE2 4.05Å; L411-Y749 HydrophobicContact CD2-CG 3.38Å; L411-Y749 HydrophobicContact CG-CD2 4.39Å; L411-W753 HydrophobicContact CD1-CE3 3.51Å; L411-W753 HydrophobicContact CD1-CZ3 3.62Å
412I96.4Very high92.9Very high32 Ų3237.1 Ų37.116%0.16422%0.218CC..Iπ-helixtrans-67.7-49.7179-68.2160.2000110.5P408 D409 E410 L416 E417 L697P408-I412 VanDerWaalsContact O-CD1 3.27Å; P408-I412 WeakPolarHBondContact O-CD1 3.38Å; P408-I412 WeakPolarHBondContact O-CG1 3.5Å; P408-I412 PolarHBondContact O-N 3.23Å; P408-I412 VanDerWaalsContact O-N 3.09Å; D409-I412 PolarHBondContact O-N 3.03Å; E410-I412 PolarHBondContact O-N 3.48Å; I412-L416 HydrophobicContact CG1-CD1 4.22Å; I412-E417 WeakPolarHBondContact O-CB 3.38Å; I412-E417 PolarHBondContact O-N 3.01Å; I412-L697 HydrophobicContact CD1-CD1 4.11Å; I412-L697 HydrophobicContact CG1-CD1 3.88Å
413A95.1Very high93.5Very high57 Ų5735.6 Ų35.647%0.47121%0.207SC..Iπ-helixtrans-68.3-40.2-173.600000113.1D409 E410 P418D409-A413 WeakPolarHBondContact O-CB 3.49Å; D409-A413 PolarHBondContact O-N 3.21Å; E410-A413 PolarHBondContact O-N 3.41Å; A413-P418 WeakPolarHBondContact O-CD 3.12Å; A413-P418 WeakPolarHBondContact O-CG 3.47Å
414D92.8Very high93.7Very high86 Ų8635.9 Ų35.946%0.4621%0.21SC..Iπ-helixtrans-99.2-21.7-168-59.1-23.3000113E410E410-D414 VanDerWaalsContact O-CB 3.31Å; E410-D414 WeakPolarHBondContact O-CB 3.47Å; E410-D414 PolarHBondContact O-N 3.41Å
415V94.3Very high93.7Very high5 Ų539.7 Ų39.73%0.0323%0.226CC..Iπ-helixtrans-123.5-60.4-175.8-173.40000112.3L411 S419 I752 W753 V756 P815L411-V415 HydrophobicContact CD1-CB 4.33Å; L411-V415 WeakPolarHBondContact O-CB 3.46Å; L411-V415 PolarHBondContact O-N 2.89Å; V415-S419 WeakPolarHBondContact O-CB 3.25Å; V415-S419 PolarHBondContact O-N 3.25Å; V415-S419 VanDerWaalsContact O-N 3.08Å; V415-S419 PolarHBondContact O-OG 3.41Å; V415-I752 HydrophobicContact CG1-CG2 4.4Å; V415-W753 HydrophobicContact CG2-CZ3 3.83Å; V415-V756 HydrophobicContact CG1-CG2 3.92Å; V415-P815 HydrophobicContact CG2-CB 3.8Å; V415-P815 HydrophobicContact CG2-CG 4.23Å
416L96.4Very high93.5Very high2 Ų239.9 Ų39.91%0.0123%0.228CC..Iπ-helixtrans-71.1-45.6-168.6-56.1-179000112.5L411 I412 R420 L690 R694 L697 I752L411-L416 HydrophobicContact CD1-CD1 4.47Å; L411-L416 HydrophobicContact CD1-CD2 4.33Å; L411-L416 HydrophobicContact CD1-CG 4.14Å; L411-L416 HydrophobicContact CD2-CD1 4.25Å; L411-L416 HydrophobicContact CG-CD1 3.98Å; L411-L416 HydrophobicContact CG-CG 4.08Å; L411-L416 PolarHBondContact O-N 3.21Å; I412-L416 HydrophobicContact CG1-CD1 4.22Å; L416-R420 VanDerWaalsContact O-CB 3.25Å; L416-R420 WeakPolarHBondContact O-CB 3.21Å; L416-R420 PolarHBondContact O-N 2.94Å; L416-L690 HydrophobicContact CB-CD2 4.24Å; L416-L690 HydrophobicContact CD2-CD2 3.86Å; L416-R694 HydrophobicContact CD1-CG 4.45Å; L416-L697 HydrophobicContact CD1-CD1 3.69Å; L416-I752 HydrophobicContact CD2-CB 4.19Å; L416-I752 HydrophobicContact CD2-CG2 3.9Å
417E95.5Very high93.6Very high60 Ų6036.1 Ų36.128%0.2820%0.201SC..Hα-helixtrans-71.1-43.7-178.4-173.961.5-153.500112.8I412 R420 S421I412-E417 WeakPolarHBondContact O-CB 3.38Å; I412-E417 PolarHBondContact O-N 3.01Å; E417-R420 PolarHBondContact O-N 2.96Å; E417-R420 IonicContact OE1-CZ 2.82Å; E417-R420 IonicContact OE1-NE 2.94Å; E417-R420 PolarHBondContact OE1-NE 3.03Å; E417-R420 IonicContact OE1-NH2 3.34Å; E417-R420 PolarHBondContact OE1-NH2 2.99Å; E417-R420 IonicContact OE2-NE 3.33Å; E417-R420 PolarHBondContact OE2-NE 3.19Å; E417-R420 VanDerWaalsContact OE2-NE 3.16Å; E417-S421 WeakPolarHBondContact O-CB 3.36Å; E417-S421 PolarHBondContact O-N 2.96Å
418P95Very high93.5Very high40 Ų4040.5 Ų40.526%0.2622%0.219SC..Hα-helixtrans-60.1-45.4171.8-26.437000112.5A413 R420 S421 L422 L819A413-P418 WeakPolarHBondContact O-CD 3.12Å; A413-P418 WeakPolarHBondContact O-CG 3.47Å; P418-R420 VanDerWaalsContact C-N 3.33Å; P418-R420 PolarHBondContact O-N 3.02Å; P418-S421 PolarHBondContact O-N 3.22Å; P418-L422 PolarHBondContact O-N 3.09Å; P418-L422 VanDerWaalsContact O-N 3.15Å; P418-L819 HydrophobicContact CB-CD1 3.94Å; P418-L819 HydrophobicContact CB-CD2 4.26Å
419S94.2Very high93.4Very high0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-59-45.9176.4-61.10000111.1V415 L423 L819V415-S419 WeakPolarHBondContact O-CB 3.25Å; V415-S419 PolarHBondContact O-N 3.25Å; V415-S419 VanDerWaalsContact O-N 3.08Å; V415-S419 PolarHBondContact O-OG 3.41Å; S419-L423 WeakPolarHBondContact O-CB 3.28Å; S419-L423 WeakPolarHBondContact O-CD1 3.39Å; S419-L423 VanDerWaalsContact O-CG 3.25Å; S419-L423 WeakPolarHBondContact O-CG 3.47Å; S419-L423 PolarHBondContact O-N 3.28Å; S419-L819 VanDerWaalsContact OG-CD2 3.29Å; S419-L819 WeakPolarHBondContact OG-CD2 3.5Å
420R95.3Very high93.2Very high27 Ų2742.7 Ų42.710%0.10222%0.219CC..Hα-helixtrans-59.7-49.7177.2-174.7-155.469.662.410.3111.3L416 E417 P418 L422 L423 T424 L690 L719 H720L416-R420 VanDerWaalsContact O-CB 3.25Å; L416-R420 WeakPolarHBondContact O-CB 3.21Å; L416-R420 PolarHBondContact O-N 2.94Å; E417-R420 PolarHBondContact O-N 2.96Å; E417-R420 IonicContact OE1-CZ 2.82Å; E417-R420 IonicContact OE1-NE 2.94Å; E417-R420 PolarHBondContact OE1-NE 3.03Å; E417-R420 IonicContact OE1-NH2 3.34Å; E417-R420 PolarHBondContact OE1-NH2 2.99Å; E417-R420 IonicContact OE2-NE 3.33Å; E417-R420 PolarHBondContact OE2-NE 3.19Å; E417-R420 VanDerWaalsContact OE2-NE 3.16Å; P418-R420 VanDerWaalsContact C-N 3.33Å; P418-R420 PolarHBondContact O-N 3.02Å; R420-L422 VanDerWaalsContact C-N 3.33Å; R420-L422 PolarHBondContact O-N 2.93Å; R420-L423 PolarHBondContact O-N 3.04Å; R420-T424 PolarHBondContact NH1-OG1 3.4Å; R420-T424 WeakPolarHBondContact O-CB 3.29Å; R420-T424 PolarHBondContact O-N 3.5Å; R420-T424 PolarHBondContact O-OG1 2.64Å; R420-L690 HydrophobicContact CB-CD1 4.24Å; R420-L719 PolarHBondContact NH1-O 2.93Å; R420-H720 VanDerWaalsContact CD-NE2 3.35Å; R420-H720 WeakPolarHBondContact CD-NE2 3.49Å
421S94Very high93.2Very high57 Ų5739.7 Ų39.740%0.39920%0.204SC..Hα-helixtrans-56.6-46-177.5-171.70000112.3E417 P418E417-S421 WeakPolarHBondContact O-CB 3.36Å; E417-S421 PolarHBondContact O-N 2.96Å; P418-S421 PolarHBondContact O-N 3.22Å
422L92.1Very high93.1Very high34 Ų3445.8 Ų45.818%0.17823%0.231CC..Hα-helixtrans-66.3-49.1175.5-68.6171.7000111.4P418 R420 T424 Q425 L819 I822 E823P418-L422 PolarHBondContact O-N 3.09Å; P418-L422 VanDerWaalsContact O-N 3.15Å; R420-L422 VanDerWaalsContact C-N 3.33Å; R420-L422 PolarHBondContact O-N 2.93Å; L422-T424 PolarHBondContact O-N 3.26Å; L422-Q425 PolarHBondContact O-N 3.01Å; L422-L819 HydrophobicContact CD1-CB 4.16Å; L422-L819 HydrophobicContact CD1-CD2 4.12Å; L422-I822 HydrophobicContact CB-CG2 4.22Å; L422-E823 HydrophobicContact CD1-CG 3.93Å; L422-E823 HydrophobicContact CD2-CG 4.09Å
423L92.3Very high92.9Very high4 Ų446.8 Ų46.82%0.02124%0.236CC..Hα-helixtrans-68.9-28.5-175-76164.9000114S419 R420 Q425 V426 G427 L686 L687 L690 I822S419-L423 WeakPolarHBondContact O-CB 3.28Å; S419-L423 WeakPolarHBondContact O-CD1 3.39Å; S419-L423 VanDerWaalsContact O-CG 3.25Å; S419-L423 WeakPolarHBondContact O-CG 3.47Å; S419-L423 PolarHBondContact O-N 3.28Å; R420-L423 PolarHBondContact O-N 3.04Å; L423-Q425 VanDerWaalsContact C-N 3.32Å; L423-Q425 PolarHBondContact O-N 3.17Å; L423-V426 PolarHBondContact O-N 3.03Å; L423-G427 WeakPolarHBondContact O-CA 3.29Å; L423-G427 PolarHBondContact O-N 2.87Å; L423-L686 HydrophobicContact CD1-CB 3.74Å; L423-L686 HydrophobicContact CD1-CD1 4.03Å; L423-L686 HydrophobicContact CD1-CG 4.46Å; L423-L686 HydrophobicContact CD2-CB 4.31Å; L423-L686 HydrophobicContact CD2-CD1 3.87Å; L423-L687 HydrophobicContact CB-CD2 3.63Å; L423-L687 HydrophobicContact CB-CG 4.08Å; L423-L690 HydrophobicContact CD1-CD1 3.55Å; L423-I822 HydrophobicContact CD1-CD1 3.93Å; L423-I822 HydrophobicContact CD2-CD1 4.24Å; L423-I822 HydrophobicContact CD2-CG1 4.29Å; L423-I822 HydrophobicContact CD2-CG2 3.71Å; L423-I822 HydrophobicContact CG-CD1 4Å; L423-I822 HydrophobicContact CG-CG2 3.97Å
424T92Very high92.8Very high26 Ų2644.1 Ų44.116%0.1621%0.214CC..Hα-helixtrans-61.4-43178.4-63.90000110.6R420 L422 V426 G427 E428R420-T424 PolarHBondContact NH1-OG1 3.4Å; R420-T424 WeakPolarHBondContact O-CB 3.29Å; R420-T424 PolarHBondContact O-N 3.5Å; R420-T424 PolarHBondContact O-OG1 2.64Å; L422-T424 PolarHBondContact O-N 3.26Å; T424-V426 VanDerWaalsContact C-N 3.34Å; T424-V426 PolarHBondContact O-N 3.35Å; T424-G427 PolarHBondContact O-N 3.44Å; T424-E428 WeakPolarHBondContact O-CG 3.46Å; T424-E428 PolarHBondContact O-N 2.79Å
425Q87.8Confident92.8Very high95 Ų9543.6 Ų43.644%0.44421%0.208SC..Hα-helixtrans-64.2-39.6177.6-60.9-179.237.900112.1L422 L423 M826L422-Q425 PolarHBondContact O-N 3.01Å; L423-Q425 VanDerWaalsContact C-N 3.32Å; L423-Q425 PolarHBondContact O-N 3.17Å; Q425-M826 HydrophobicContact CB-CE 4.44Å
426V88.3Confident92.6Very high10 Ų1048.2 Ų48.26%0.06123%0.229CC..Hα-helixtrans-68.4-43.3175.9-175.30000110.8L423 T424 E428 R429 D430 M826L423-V426 PolarHBondContact O-N 3.03Å; T424-V426 VanDerWaalsContact C-N 3.34Å; T424-V426 PolarHBondContact O-N 3.35Å; V426-E428 PolarHBondContact O-N 2.6Å; V426-R429 PolarHBondContact O-N 2.87Å; V426-D430 WeakPolarHBondContact O-CB 3.28Å; V426-D430 PolarHBondContact O-N 2.97Å; V426-M826 HydrophobicContact CG2-CE 3.63Å; V426-M826 HydrophobicContact CG2-CG 3.42Å; V426-M826 VanDerWaalsContact CG2-CG 3.42Å; V426-M826 HydrophobicContact CG2-SD 3.55Å; V426-M826 VanDerWaalsContact CG2-SD 3.55Å
427G92Very high92.4Very high0 Ų049 Ų490%023%0.232CC..Hα-helixtrans-63.9-37.4-178.500000112.9L423 T424 F431L423-G427 WeakPolarHBondContact O-CA 3.29Å; L423-G427 PolarHBondContact O-N 2.87Å; T424-G427 PolarHBondContact O-N 3.44Å; G427-F431 WeakPolarHBondContact O-CB 3.42Å; G427-F431 PolarHBondContact O-N 2.99Å
428E92.7Very high92.2Very high116 Ų11646.2 Ų46.254%0.54222%0.219SC..Hα-helixtrans-62.2-45.4173.3-74.3174.2178.400111.9T424 V426 K432 P722T424-E428 WeakPolarHBondContact O-CG 3.46Å; T424-E428 PolarHBondContact O-N 2.79Å; V426-E428 PolarHBondContact O-N 2.6Å; E428-K432 PolarHBondContact O-N 3.42Å; E428-K432 VanDerWaalsContact O-N 3.12Å; E428-P722 HydrophobicContact CG-CB 4.1Å
429R90.8Very high92Very high148 Ų14846.7 Ų46.756%0.55822%0.219SC*.Hα-helixtrans-66-45.9176.6-65.2177.5-170.41505.4111.6V426 K432 L433V426-R429 PolarHBondContact O-N 2.87Å; R429-K432 PolarHBondContact O-N 2.74Å; R429-L433 PolarHBondContact O-N 3.36Å
430D91.7Very high91.6Very high2 Ų251.7 Ų51.71%0.01125%0.25CC..Hα-helixtrans-65.2-38.3179.3-81.4-1.3000111.8V426 L433 L434 R679 I681 S683V426-D430 WeakPolarHBondContact O-CB 3.28Å; V426-D430 PolarHBondContact O-N 2.97Å; D430-L433 PolarHBondContact O-N 3.43Å; D430-L434 VanDerWaalsContact O-CB 3.29Å; D430-L434 WeakPolarHBondContact O-CB 3.18Å; D430-L434 PolarHBondContact O-N 2.99Å; D430-R679 IonicContact OD1-CZ 2.67Å; D430-R679 VanDerWaalsContact OD1-CZ 3.23Å; D430-R679 IonicContact OD1-NH1 3.28Å; D430-R679 PolarHBondContact OD1-NH1 2.67Å; D430-R679 IonicContact OD1-NH2 2.84Å; D430-R679 PolarHBondContact OD1-NH2 3.23Å; D430-R679 IonicContact OD2-NH1 3.16Å; D430-R679 PolarHBondContact OD2-NH1 3.08Å; D430-I681 HydrophobicContact CB-CD1 4.27Å; D430-I681 HydrophobicContact CB-CG1 4.11Å; D430-I681 HydrophobicContact CB-CG2 3.77Å; D430-I681 WeakPolarHBondContact O-CD1 3.44Å; D430-S683 VanDerWaalsContact CB-OG 3.32Å; D430-S683 WeakPolarHBondContact CB-OG 3.44Å; D430-S683 VanDerWaalsContact CG-OG 3.27Å; D430-S683 WeakPolarHBondContact OD2-CB 3.45Å; D430-S683 PolarHBondContact OD2-OG 2.9Å
431F93.6Very high91.4Very high29 Ų2952.2 Ų52.213%0.12726%0.255CS..Hα-helixtrans-67-39.2176.3-172.6-109.9000111.7G427 L434 K435 L449 V454 L684 P722 Y723G427-F431 WeakPolarHBondContact O-CB 3.42Å; G427-F431 PolarHBondContact O-N 2.99Å; F431-L434 PolarHBondContact O-N 2.79Å; F431-K435 WeakPolarHBondContact O-CB 3.47Å; F431-K435 PolarHBondContact O-N 3.05Å; F431-L449 HydrophobicContact CE2-CD1 4.31Å; F431-L449 HydrophobicContact CZ-CB 4.37Å; F431-V454 HydrophobicContact CE2-CG2 4.16Å; F431-L684 HydrophobicContact CB-CD1 4.48Å; F431-L684 HydrophobicContact CB-CD2 4.18Å; F431-L684 HydrophobicContact CD2-CD1 4.11Å; F431-P722 HydrophobicContact CB-CB 4.07Å; F431-P722 HydrophobicContact CB-CG 3.74Å; F431-P722 HydrophobicContact CD2-CG 4.4Å; F431-P722 HydrophobicContact CG-CB 4.36Å; F431-P722 HydrophobicContact CG-CG 4Å; F431-Y723 AromaticContact CD2-CD1 3.86Å; F431-Y723 HydrophobicContact CD2-CD1 3.86Å; F431-Y723 HydrophobicContact CD2-CE1 4.39Å; F431-Y723 HydrophobicContact CE1-CD1 4.48Å; F431-Y723 AromaticContact CE2-CD1 3.55Å; F431-Y723 HydrophobicContact CE2-CD1 3.55Å; F431-Y723 HydrophobicContact CE2-CE1 4.17Å; F431-Y723 HydrophobicContact CE2-CG 4.09Å; F431-Y723 HydrophobicContact CG-CD1 4.46Å; F431-Y723 AromaticContact CZ-CD1 3.9Å; F431-Y723 HydrophobicContact CZ-CD1 3.9Å; F431-Y723 HydrophobicContact CZ-CG 4.02Å
432K92.7Very high91.1Very high131 Ų13150.2 Ų50.257%0.5724%0.24SC*.Hα-helixtrans-61.6-47.7172.5-177.1178.7173-177.50111.3E428 R429 L434 K435 E436E428-K432 PolarHBondContact O-N 3.42Å; E428-K432 VanDerWaalsContact O-N 3.12Å; R429-K432 PolarHBondContact O-N 2.74Å; K432-L434 VanDerWaalsContact C-N 3.34Å; K432-L434 PolarHBondContact O-N 3.41Å; K432-K435 PolarHBondContact O-N 2.98Å; K432-E436 WeakPolarHBondContact CE-OE1 3.4Å; K432-E436 WeakPolarHBondContact O-CG 3.41Å; K432-E436 PolarHBondContact O-N 3.4Å
433L91.7Very high90.6Very high54 Ų5455.5 Ų55.528%0.28327%0.268SS..Hα-helixtrans-60-44176.8179.562.1000112R429 D430 K435 E436 W437 Y461 I681R429-L433 PolarHBondContact O-N 3.36Å; D430-L433 PolarHBondContact O-N 3.43Å; L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 PolarHBondContact O-N 3.24Å; L433-E436 PolarHBondContact O-N 2.83Å; L433-W437 WeakPolarHBondContact O-CB 3.05Å; L433-W437 PolarHBondContact O-N 3.43Å; L433-Y461 WeakPolarHBondContact CD2-OH 3.41Å; L433-Y461 HydrophobicContact CG-CE2 4.3Å; L433-I681 HydrophobicContact CD2-CD1 4.46Å
434L93Very high89.9Confident0 Ų055.4 Ų55.40%027%0.267CS..Hα-helixtrans-60-45176.3-178.765.7000111.1D430 F431 K432 W437 A438 L449 A457 L458 Y461 I681 L684D430-L434 VanDerWaalsContact O-CB 3.29Å; D430-L434 WeakPolarHBondContact O-CB 3.18Å; D430-L434 PolarHBondContact O-N 2.99Å; F431-L434 PolarHBondContact O-N 2.79Å; K432-L434 VanDerWaalsContact C-N 3.34Å; K432-L434 PolarHBondContact O-N 3.41Å; L434-W437 PolarHBondContact O-N 2.93Å; L434-A438 WeakPolarHBondContact O-CB 3.25Å; L434-A438 PolarHBondContact O-N 2.91Å; L434-L449 HydrophobicContact CD2-CD1 4.32Å; L434-L449 HydrophobicContact CG-CD1 4.18Å; L434-A457 HydrophobicContact CD1-CB 4.15Å; L434-A457 HydrophobicContact CG-CB 4.37Å; L434-L458 HydrophobicContact CD1-CB 4.41Å; L434-L458 HydrophobicContact CD1-CD1 4.44Å; L434-L458 HydrophobicContact CD2-CB 3.96Å; L434-L458 HydrophobicContact CD2-CD1 4.25Å; L434-Y461 HydrophobicContact CD1-CD2 4.1Å; L434-Y461 HydrophobicContact CD1-CG 4.08Å; L434-I681 HydrophobicContact CB-CD1 3.94Å; L434-I681 HydrophobicContact CD1-CD1 4.43Å; L434-L684 HydrophobicContact CD2-CD1 3.83Å
435K92.5Very high88.3Confident76 Ų7658 Ų5833%0.3329%0.286SS..Hα-helixtrans-61.9-46.8178.7-173.3177.2179.5177.50112.1F431 K432 L433 N439 L449F431-K435 WeakPolarHBondContact O-CB 3.47Å; F431-K435 PolarHBondContact O-N 3.05Å; K432-K435 PolarHBondContact O-N 2.98Å; L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 PolarHBondContact O-N 3.24Å; K435-N439 WeakPolarHBondContact O-CB 3.35Å; K435-N439 VanDerWaalsContact O-CG 3.28Å; K435-N439 PolarHBondContact O-N 3.21Å; K435-N439 PolarHBondContact O-ND2 2.94Å; K435-L449 HydrophobicContact CB-CD1 3.91Å; K435-L449 HydrophobicContact CG-CD1 4.29Å; K435-L449 HydrophobicContact CG-CG 4.35Å
436E90.9Very high87Confident101 Ų10157.3 Ų57.347%0.47231%0.305SS..Hα-helixtrans-62.8-44.6177.7-71.5170.5-174.900111.6K432 L433 T440K432-E436 WeakPolarHBondContact CE-OE1 3.4Å; K432-E436 WeakPolarHBondContact O-CG 3.41Å; K432-E436 PolarHBondContact O-N 3.4Å; L433-E436 PolarHBondContact O-N 2.83Å; E436-T440 PolarHBondContact O-N 3.35Å; E436-T440 PolarHBondContact O-OG1 3.05Å
437W92.3Very high85.9Confident20 Ų2062 Ų628%0.07632%0.324CS..Hα-helixtrans-66.1-46177.8-177.589.9000112.1L433 L434 N439 T440 N441 L442 Q460 Y461 A464 L674 R675L433-W437 WeakPolarHBondContact O-CB 3.05Å; L433-W437 PolarHBondContact O-N 3.43Å; L434-W437 PolarHBondContact O-N 2.93Å; W437-N439 PolarHBondContact O-N 3.21Å; W437-T440 PolarHBondContact O-N 3.36Å; W437-T440 VanDerWaalsContact O-N 3.14Å; W437-N441 HydrophobicContact CD2-CB 4.24Å; W437-N441 HydrophobicContact CH2-CB 4.3Å; W437-N441 HydrophobicContact CZ2-CB 3.99Å; W437-N441 PolarHBondContact NE1-ND2 3.21Å; W437-N441 WeakPolarHBondContact O-CB 3.28Å; W437-N441 PolarHBondContact O-N 3.43Å; W437-N441 PolarHBondContact O-ND2 2.79Å; W437-L442 HydrophobicContact CH2-CD2 4.32Å; W437-L442 HydrophobicContact CZ3-CD1 3.91Å; W437-L442 HydrophobicContact CZ3-CD2 4.23Å; W437-L442 HydrophobicContact CZ3-CG 3.98Å; W437-Q460 HydrophobicContact CH2-CB 3.96Å; W437-Q460 HydrophobicContact CZ3-CB 4.13Å; W437-Y461 HydrophobicContact CB-CD2 3.93Å; W437-Y461 HydrophobicContact CB-CE2 4Å; W437-Y461 AromaticContact CD2-CD2 3.55Å; W437-Y461 HydrophobicContact CD2-CD2 3.55Å; W437-Y461 HydrophobicContact CD2-CE2 4.3Å; W437-Y461 HydrophobicContact CD2-CG 4.4Å; W437-Y461 AromaticContact CE3-CD2 3.75Å; W437-Y461 HydrophobicContact CE3-CD2 3.75Å; W437-Y461 HydrophobicContact CE3-CG 4.33Å; W437-Y461 AromaticContact CG-CD2 3.62Å; W437-Y461 HydrophobicContact CG-CD2 3.62Å; W437-Y461 AromaticContact CG-CE2 3.9Å; W437-Y461 HydrophobicContact CG-CE2 3.9Å; W437-Y461 HydrophobicContact CZ3-CD2 4.46Å; W437-A464 HydrophobicContact CZ2-CB 4.16Å; W437-L674 HydrophobicContact CH2-CD1 4.2Å; W437-L674 HydrophobicContact CH2-CD2 4.29Å; W437-L674 HydrophobicContact CZ2-CB 4.2Å; W437-L674 HydrophobicContact CZ2-CD2 4.49Å; W437-R675 PolarHBondContact NE1-O 2.89Å
438A92Very high85.5Confident0 Ų066 Ų660%035%0.349CS..Hα-helixtrans-63-42.2-179.600000111.8L434 T440 N441 L442 L449 A457L434-A438 WeakPolarHBondContact O-CB 3.25Å; L434-A438 PolarHBondContact O-N 2.91Å; A438-T440 PolarHBondContact O-N 3.2Å; A438-N441 PolarHBondContact O-N 2.71Å; A438-L442 HydrophobicContact CB-CD1 4.02Å; A438-L442 WeakPolarHBondContact O-CA 3.45Å; A438-L442 WeakPolarHBondContact O-CB 3.42Å; A438-L442 PolarHBondContact O-N 3.22Å; A438-L449 HydrophobicContact CB-CD2 4Å; A438-A457 HydrophobicContact CB-CB 4.04Å
439N89.4Confident85.3Confident51 Ų5160.8 Ų60.827%0.27333%0.325SS..Hα-helixtrans-61.1-27.3176-80.5-20.6000113.6K435 W437 I444 K447K435-N439 WeakPolarHBondContact O-CB 3.35Å; K435-N439 VanDerWaalsContact O-CG 3.28Å; K435-N439 PolarHBondContact O-N 3.21Å; K435-N439 PolarHBondContact O-ND2 2.94Å; W437-N439 PolarHBondContact O-N 3.21Å; N439-I444 PolarHBondContact OD1-O 2.82Å; N439-K447 PolarHBondContact OD1-O 2.65Å
440T87.7Confident85.4Confident104 Ų10457.1 Ų57.164%0.63831%0.314SS*.Hα-helixtrans-91.9-32.2-177.6-52.60000112.4E436 W437 A438E436-T440 PolarHBondContact O-N 3.35Å; E436-T440 PolarHBondContact O-OG1 3.05Å; W437-T440 PolarHBondContact O-N 3.36Å; W437-T440 VanDerWaalsContact O-N 3.14Å; A438-T440 PolarHBondContact O-N 3.2Å
441N89.1Confident85.3Confident39 Ų3958.2 Ų58.221%0.20932%0.321CS..Hα-helixtrans-115.5-15.8-167.2-65.3-87.4000114.5W437 A438 L674 R675W437-N441 HydrophobicContact CD2-CB 4.24Å; W437-N441 HydrophobicContact CH2-CB 4.3Å; W437-N441 HydrophobicContact CZ2-CB 3.99Å; W437-N441 PolarHBondContact NE1-ND2 3.21Å; W437-N441 WeakPolarHBondContact O-CB 3.28Å; W437-N441 PolarHBondContact O-N 3.43Å; W437-N441 PolarHBondContact O-ND2 2.79Å; A438-N441 PolarHBondContact O-N 2.71Å; N441-L674 HydrophobicContact CB-CD2 4.13Å; N441-L674 WeakPolarHBondContact O-CD2 3.02Å; N441-R675 WeakPolarHBondContact OD1-CB 3.41Å; N441-R675 PolarHBondContact OD1-N 2.84Å
442L88.1Confident85.3Confident15 Ų1558 Ų588%0.07932%0.319CS..SBendtrans-116.4157.3-180-55.2178000109.4W437 A438 I444 Y456 A457 Q460 L674W437-L442 HydrophobicContact CH2-CD2 4.32Å; W437-L442 HydrophobicContact CZ3-CD1 3.91Å; W437-L442 HydrophobicContact CZ3-CD2 4.23Å; W437-L442 HydrophobicContact CZ3-CG 3.98Å; A438-L442 HydrophobicContact CB-CD1 4.02Å; A438-L442 WeakPolarHBondContact O-CA 3.45Å; A438-L442 WeakPolarHBondContact O-CB 3.42Å; A438-L442 PolarHBondContact O-N 3.22Å; L442-I444 HydrophobicContact CB-CD1 3.9Å; L442-I444 HydrophobicContact CB-CG1 3.94Å; L442-I444 HydrophobicContact CD1-CD1 3.87Å; L442-I444 PolarHBondContact O-N 3.33Å; L442-Y456 HydrophobicContact CD1-CD1 4.21Å; L442-Y456 HydrophobicContact CD1-CE1 3.9Å; L442-Y456 HydrophobicContact CD2-CE1 4.23Å; L442-A457 HydrophobicContact CD1-CB 3.86Å; L442-Q460 HydrophobicContact CD1-CB 4.4Å; L442-Q460 HydrophobicContact CD1-CG 4.48Å; L442-Q460 HydrophobicContact CD2-CB 4.04Å; L442-Q460 HydrophobicContact CD2-CG 4.02Å; L442-L674 HydrophobicContact CD2-CD2 3.9Å
443D81.7Confident85.3Confident144 Ų14451.8 Ų51.877%0.7729%0.293SS*.THydrogen-bonded Turntrans-74.456.4173.5-16820.9000111.8
444I77.6Confident85.4Confident3 Ų349.4 Ų49.42%0.01528%0.28CS..THydrogen-bonded Turntrans-124.910.7177.8-48.8173.2000108.6N439 L442 G446 K447 L449 D453 Y456N439-I444 PolarHBondContact OD1-O 2.82Å; L442-I444 HydrophobicContact CB-CD1 3.9Å; L442-I444 HydrophobicContact CB-CG1 3.94Å; L442-I444 HydrophobicContact CD1-CD1 3.87Å; L442-I444 PolarHBondContact O-N 3.33Å; I444-G446 PolarHBondContact O-N 3.46Å; I444-K447 HydrophobicContact CG2-CB 4.26Å; I444-K447 WeakPolarHBondContact O-CB 3.41Å; I444-K447 PolarHBondContact O-N 2.79Å; I444-K447 VanDerWaalsContact O-N 3.11Å; I444-L449 HydrophobicContact CD1-CD2 4.19Å; I444-L449 HydrophobicContact CG2-CD2 4.13Å; I444-D453 HydrophobicContact CD1-CB 4.26Å; I444-Y456 HydrophobicContact CD1-CD1 4.32Å
445S57.9Low85.3Confident79 Ų7950.7 Ų50.755%0.55229%0.286SS*.THydrogen-bonded Turntrans-56.1125.8-170.162.10000112.9K447S445-K447 VanDerWaalsContact C-N 3.3Å; S445-K447 PolarHBondContact O-N 3.37Å
446G61Low85.5Confident81 Ų8148.1 Ų48.184%0.83528%0.275SS*.THydrogen-bonded Turntrans81.8-0.9177.900000115.3I444I444-G446 PolarHBondContact O-N 3.46Å
447K66.3Low85.6Confident108 Ų10843.3 Ų43.347%0.4725%0.252SS..SBendtrans-99.3156.2178.8-62.6176.3-178170.20111.3N439 I444 S445N439-K447 PolarHBondContact OD1-O 2.65Å; I444-K447 HydrophobicContact CG2-CB 4.26Å; I444-K447 WeakPolarHBondContact O-CB 3.41Å; I444-K447 PolarHBondContact O-N 2.79Å; I444-K447 VanDerWaalsContact O-N 3.11Å; S445-K447 VanDerWaalsContact C-N 3.3Å; S445-K447 PolarHBondContact O-N 3.37Å
448T82.9Confident85.7Confident84 Ų8442.6 Ų42.652%0.51525%0.25SC..  trans-71.7140.5163.3-61.40000107.7E450T448-E450 PolarHBondContact O-N 3.36Å
449L89.3Confident85.7Confident8 Ų844.3 Ų44.34%0.04226%0.258CS..  trans-63.3105.8170.4-77.7178.7000108.6F431 L434 K435 A438 I444 D453 A457F431-L449 HydrophobicContact CE2-CD1 4.31Å; F431-L449 HydrophobicContact CZ-CB 4.37Å; L434-L449 HydrophobicContact CD2-CD1 4.32Å; L434-L449 HydrophobicContact CG-CD1 4.18Å; K435-L449 HydrophobicContact CB-CD1 3.91Å; K435-L449 HydrophobicContact CG-CD1 4.29Å; K435-L449 HydrophobicContact CG-CG 4.35Å; A438-L449 HydrophobicContact CB-CD2 4Å; I444-L449 HydrophobicContact CD1-CD2 4.19Å; I444-L449 HydrophobicContact CG2-CD2 4.13Å; L449-D453 HydrophobicContact CD2-CB 4.06Å; L449-A457 HydrophobicContact CD2-CB 4.14Å
450E91.4Very high85.9Confident70 Ų7042 Ų4233%0.32725%0.246SC..  trans-79.6162.6176.4-66.1-61.3159.300110.4T448 W452 D453 V454T448-E450 PolarHBondContact O-N 3.36Å; E450-W452 HydrophobicContact CB-CD2 3.88Å; E450-W452 VanDerWaalsContact CB-CE2 3.41Å; E450-W452 HydrophobicContact CB-CE3 4.25Å; E450-W452 HydrophobicContact CB-CH2 3.83Å; E450-W452 HydrophobicContact CB-CZ2 3.41Å; E450-W452 VanDerWaalsContact CB-CZ2 3.41Å; E450-W452 HydrophobicContact CB-CZ3 4.22Å; E450-W452 HydrophobicContact CG-CH2 3.95Å; E450-W452 HydrophobicContact CG-CZ2 3.54Å; E450-W452 PolarHBondContact O-N 3.02Å; E450-W452 VanDerWaalsContact O-N 3.11Å; E450-D453 PolarHBondContact N-OD2 3.09Å; E450-D453 WeakPolarHBondContact O-CA 3.25Å; E450-D453 WeakPolarHBondContact O-CB 3.24Å; E450-D453 PolarHBondContact O-N 3.13Å; E450-V454 WeakPolarHBondContact O-CG2 3.39Å; E450-V454 PolarHBondContact O-N 3.22Å
451P91.3Very high86.1Confident25 Ų2537.1 Ų37.116%0.16222%0.216CC..Hα-helixtrans-54.3-35.5-175.2-24.629.8000114.8W347 D453 H726W347-P451 HydrophobicContact CH2-CB 4.14Å; W347-P451 HydrophobicContact CH2-CG 4.23Å; W347-P451 HydrophobicContact CZ2-CB 3.55Å; W347-P451 HydrophobicContact CZ2-CG 4.1Å; P451-D453 VanDerWaalsContact C-N 3.28Å; P451-D453 PolarHBondContact O-N 3.48Å; P451-H726 HydrophobicContact CG-CB 3.67Å
452W92.5Very high86.2Confident24 Ų2435.6 Ų35.69%0.09121%0.207CC..Hα-helixtrans-77.2-11.3177.856.378.4000113.6R343 K344 W347 E450R343-W452 HydrophobicContact CB-CB 4.3Å; R343-W452 VanDerWaalsContact CD-O 3.31Å; R343-W452 WeakPolarHBondContact CD-O 3.31Å; R343-W452 PolarHBondContact NE-O 3.13Å; K344-W452 HydrophobicContact CB-CD2 3.88Å; K344-W452 HydrophobicContact CB-CG 4.06Å; K344-W452 HydrophobicContact CB-CZ2 4.22Å; K344-W452 HydrophobicContact CD-CH2 4.05Å; K344-W452 HydrophobicContact CD-CZ2 3.73Å; K344-W452 HydrophobicContact CG-CD2 3.97Å; K344-W452 HydrophobicContact CG-CE3 4.16Å; K344-W452 HydrophobicContact CG-CH2 4.02Å; K344-W452 HydrophobicContact CG-CZ2 3.8Å; K344-W452 HydrophobicContact CG-CZ3 4.19Å; W347-W452 HydrophobicContact CB-CB 3.59Å; W347-W452 HydrophobicContact CD2-CB 4.31Å; W347-W452 HydrophobicContact CD2-CE3 4.1Å; W347-W452 AromaticContact CE3-CE3 3.6Å; W347-W452 HydrophobicContact CE3-CE3 3.6Å; W347-W452 HydrophobicContact CE3-CZ3 4.15Å; W347-W452 HydrophobicContact CG-CB 3.74Å; W347-W452 HydrophobicContact CZ3-CE3 4.02Å; W347-W452 HydrophobicContact CZ3-CZ3 4.16Å; E450-W452 HydrophobicContact CB-CD2 3.88Å; E450-W452 VanDerWaalsContact CB-CE2 3.41Å; E450-W452 HydrophobicContact CB-CE3 4.25Å; E450-W452 HydrophobicContact CB-CH2 3.83Å; E450-W452 HydrophobicContact CB-CZ2 3.41Å; E450-W452 VanDerWaalsContact CB-CZ2 3.41Å; E450-W452 HydrophobicContact CB-CZ3 4.22Å; E450-W452 HydrophobicContact CG-CH2 3.95Å; E450-W452 HydrophobicContact CG-CZ2 3.54Å; E450-W452 PolarHBondContact O-N 3.02Å; E450-W452 VanDerWaalsContact O-N 3.11Å
453D93.7Very high86.3Confident2 Ų235.8 Ų35.81%0.01121%0.207CC..Hα-helixtrans-95-23.8176.4-61.4-43.8000112.3S340 R343 I444 L449 E450 P451 Y456 A457S340-D453 PolarHBondContact OG-OD1 3.21Å; R343-D453 IonicContact CZ-OD1 3.01Å; R343-D453 IonicContact NE-OD1 2.84Å; R343-D453 PolarHBondContact NE-OD1 2.85Å; R343-D453 IonicContact NH2-OD1 3.77Å; R343-D453 PolarHBondContact NH2-OD1 3.31Å; I444-D453 HydrophobicContact CD1-CB 4.26Å; L449-D453 HydrophobicContact CD2-CB 4.06Å; E450-D453 PolarHBondContact N-OD2 3.09Å; E450-D453 WeakPolarHBondContact O-CA 3.25Å; E450-D453 WeakPolarHBondContact O-CB 3.24Å; E450-D453 PolarHBondContact O-N 3.13Å; P451-D453 VanDerWaalsContact C-N 3.28Å; P451-D453 PolarHBondContact O-N 3.48Å; D453-Y456 PolarHBondContact O-N 2.95Å; D453-A457 VanDerWaalsContact O-CB 3.25Å; D453-A457 WeakPolarHBondContact O-CB 3.29Å; D453-A457 PolarHBondContact O-N 3.3Å
454V92.8Very high86.7Confident3 Ų329 Ų292%0.01817%0.171CC..Hα-helixtrans-61.1-53.4-173.3178.30000112.1F431 E450 Y456 A457 L458 Y723F431-V454 HydrophobicContact CE2-CG2 4.16Å; E450-V454 WeakPolarHBondContact O-CG2 3.39Å; E450-V454 PolarHBondContact O-N 3.22Å; V454-Y456 VanDerWaalsContact C-N 3.34Å; V454-Y456 PolarHBondContact O-N 3.37Å; V454-A457 PolarHBondContact O-N 3.11Å; V454-L458 WeakPolarHBondContact O-CB 3.28Å; V454-L458 PolarHBondContact O-N 3.33Å; V454-Y723 HydrophobicContact CG1-CE1 4.08Å; V454-Y723 HydrophobicContact CG2-CE2 4.27Å
455E91.9Very high87.1Confident28 Ų2830.6 Ų30.613%0.13118%0.181CC..Hα-helixtrans-65-39-177.9-70.3-168.6-177.600111.7K335 E459 Q688K335-E455 HydrophobicContact CG-CB 4.12Å; E455-E459 WeakPolarHBondContact O-CB 3.22Å; E455-E459 PolarHBondContact O-N 2.92Å; E455-Q688 PolarHBondContact OE1-NE2 3.48Å
456Y95Very high88.4Confident21 Ų2128.4 Ų28.48%0.08216%0.163CC..Hα-helixtrans-60.9-54.7174.4173.3-108.7000112.1A297 L334 K335 C337 L442 I444 D453 V454 L458 E459 Q460A297-Y456 HydrophobicContact CB-CE2 3.89Å; L334-Y456 WeakPolarHBondContact O-CB 3.46Å; K335-Y456 WeakPolarHBondContact O-CD2 3.48Å; C337-Y456 WeakPolarHBondContact O-CD2 3.49Å; C337-Y456 VanDerWaalsContact O-CE2 3.31Å; C337-Y456 WeakPolarHBondContact O-CE2 3.24Å; L442-Y456 HydrophobicContact CD1-CD1 4.21Å; L442-Y456 HydrophobicContact CD1-CE1 3.9Å; L442-Y456 HydrophobicContact CD2-CE1 4.23Å; I444-Y456 HydrophobicContact CD1-CD1 4.32Å; D453-Y456 PolarHBondContact O-N 2.95Å; V454-Y456 VanDerWaalsContact C-N 3.34Å; V454-Y456 PolarHBondContact O-N 3.37Å; Y456-L458 VanDerWaalsContact C-N 3.26Å; Y456-L458 PolarHBondContact O-N 3.29Å; Y456-E459 PolarHBondContact O-N 3.17Å; Y456-E459 VanDerWaalsContact O-N 3.13Å; Y456-Q460 HydrophobicContact CD1-CG 4.4Å; Y456-Q460 HydrophobicContact CD2-CG 4.06Å; Y456-Q460 HydrophobicContact CE1-CG 3.97Å; Y456-Q460 HydrophobicContact CE2-CG 3.55Å; Y456-Q460 VanDerWaalsContact CE2-NE2 3.32Å; Y456-Q460 HydrophobicContact CG-CG 4.45Å; Y456-Q460 WeakPolarHBondContact O-CG 3.36Å; Y456-Q460 PolarHBondContact O-N 2.9Å
457A94.4Very high89.6Confident0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-60-42.4-17800000110.9L434 A438 L442 L449 D453 V454 E459 Q460 Y461L434-A457 HydrophobicContact CD1-CB 4.15Å; L434-A457 HydrophobicContact CG-CB 4.37Å; A438-A457 HydrophobicContact CB-CB 4.04Å; L442-A457 HydrophobicContact CD1-CB 3.86Å; L449-A457 HydrophobicContact CD2-CB 4.14Å; D453-A457 VanDerWaalsContact O-CB 3.25Å; D453-A457 WeakPolarHBondContact O-CB 3.29Å; D453-A457 PolarHBondContact O-N 3.3Å; V454-A457 PolarHBondContact O-N 3.11Å; A457-E459 VanDerWaalsContact C-N 3.34Å; A457-Q460 PolarHBondContact O-N 3.32Å; A457-Y461 VanDerWaalsContact O-CB 3.24Å; A457-Y461 WeakPolarHBondContact O-CB 3.49Å; A457-Y461 PolarHBondContact O-N 3.26Å
458L93.1Very high90.3Very high5 Ų526.8 Ų26.83%0.02615%0.148CC..Hα-helixtrans-65.8-38178.9-176.756.8000111.5R3 L434 V454 Y456 N462 I681 L684 Y685R3-L458 VanDerWaalsContact CZ-O 3.28Å; R3-L458 PolarHBondContact NH1-O 3.21Å; R3-L458 PolarHBondContact NH2-O 2.75Å; L434-L458 HydrophobicContact CD1-CB 4.41Å; L434-L458 HydrophobicContact CD1-CD1 4.44Å; L434-L458 HydrophobicContact CD2-CB 3.96Å; L434-L458 HydrophobicContact CD2-CD1 4.25Å; V454-L458 WeakPolarHBondContact O-CB 3.28Å; V454-L458 PolarHBondContact O-N 3.33Å; Y456-L458 VanDerWaalsContact C-N 3.26Å; Y456-L458 PolarHBondContact O-N 3.29Å; L458-N462 PolarHBondContact O-N 3.31Å; L458-I681 HydrophobicContact CD1-CB 3.72Å; L458-I681 HydrophobicContact CD1-CG2 3.52Å; L458-L684 HydrophobicContact CD1-CD1 4.19Å; L458-L684 HydrophobicContact CD2-CB 3.75Å; L458-L684 HydrophobicContact CD2-CD1 4.14Å; L458-Y685 HydrophobicContact CD1-CE2 4.11Å; L458-Y685 HydrophobicContact CD2-CD2 3.78Å; L458-Y685 HydrophobicContact CD2-CE1 4.21Å; L458-Y685 HydrophobicContact CD2-CE2 3.13Å; L458-Y685 HydrophobicContact CD2-CG 4.47Å; L458-Y685 VanDerWaalsContact CD2-CZ 3.44Å; L458-Y685 HydrophobicContact CG-CD2 4.38Å; L458-Y685 HydrophobicContact CG-CE2 3.39Å; L458-Y685 WeakPolarHBondContact CG-OH 3.44Å
459E92.8Very high90.4Very high37 Ų3725.8 Ų25.817%0.17314%0.135CC..Hα-helixtrans-65.6-50.2173.1-166.559.7-160.600112.1R3 K335 H336 E455 Y456 A457 Y461 N462 Y463 Y685R3-E459 IonicContact CZ-OE2 2.69Å; R3-E459 IonicContact NH1-OE2 3.31Å; R3-E459 PolarHBondContact NH1-OE2 2.97Å; K335-E459 HydrophobicContact CB-CB 4.01Å; K335-E459 HydrophobicContact CB-CG 4.08Å; H336-E459 IonicContact CE1-OE1 2.79Å; E455-E459 WeakPolarHBondContact O-CB 3.22Å; E455-E459 PolarHBondContact O-N 2.92Å; Y456-E459 PolarHBondContact O-N 3.17Å; Y456-E459 VanDerWaalsContact O-N 3.13Å; A457-E459 VanDerWaalsContact C-N 3.34Å; E459-Y461 VanDerWaalsContact C-N 3.26Å; E459-Y461 PolarHBondContact O-N 2.85Å; E459-N462 PolarHBondContact O-N 2.93Å; E459-Y463 VanDerWaalsContact O-CB 3.23Å; E459-Y463 WeakPolarHBondContact O-CB 3.45Å; E459-Y463 PolarHBondContact O-N 3.46Å; E459-Y685 PolarHBondContact OE2-OH 3.29Å
460Q93.1Very high90.2Very high2 Ų226.2 Ų26.21%0.00914%0.137CC..Hα-helixtrans-59.9-39177.9-59-32-65.400112S299 K335 W437 L442 Y456 A457 Y463 A464 L674S299-Q460 PolarHBondContact OG-NE2 3.39Å; S299-Q460 PolarHBondContact OG-OE1 2.91Å; K335-Q460 PolarHBondContact O-NE2 2.74Å; K335-Q460 VanDerWaalsContact O-NE2 3.07Å; W437-Q460 HydrophobicContact CH2-CB 3.96Å; W437-Q460 HydrophobicContact CZ3-CB 4.13Å; L442-Q460 HydrophobicContact CD1-CB 4.4Å; L442-Q460 HydrophobicContact CD1-CG 4.48Å; L442-Q460 HydrophobicContact CD2-CB 4.04Å; L442-Q460 HydrophobicContact CD2-CG 4.02Å; Y456-Q460 HydrophobicContact CD1-CG 4.4Å; Y456-Q460 HydrophobicContact CD2-CG 4.06Å; Y456-Q460 HydrophobicContact CE1-CG 3.97Å; Y456-Q460 HydrophobicContact CE2-CG 3.55Å; Y456-Q460 VanDerWaalsContact CE2-NE2 3.32Å; Y456-Q460 HydrophobicContact CG-CG 4.45Å; Y456-Q460 WeakPolarHBondContact O-CG 3.36Å; Y456-Q460 PolarHBondContact O-N 2.9Å; A457-Q460 PolarHBondContact O-N 3.32Å; Q460-Y463 PolarHBondContact O-N 3.03Å; Q460-A464 WeakPolarHBondContact O-CB 3.26Å; Q460-A464 PolarHBondContact O-N 3.01Å; Q460-L674 HydrophobicContact CB-CD1 4.26Å
461Y92.6Very high90Very high2 Ų225.5 Ų25.51%0.00813%0.134CC..Hα-helixtrans-59.1-53.1178-178.9-78000111.5L433 L434 W437 A457 E459 A464 V465 P677 R679 I681L433-Y461 WeakPolarHBondContact CD2-OH 3.41Å; L433-Y461 HydrophobicContact CG-CE2 4.3Å; L434-Y461 HydrophobicContact CD1-CD2 4.1Å; L434-Y461 HydrophobicContact CD1-CG 4.08Å; W437-Y461 HydrophobicContact CB-CD2 3.93Å; W437-Y461 HydrophobicContact CB-CE2 4Å; W437-Y461 AromaticContact CD2-CD2 3.55Å; W437-Y461 HydrophobicContact CD2-CD2 3.55Å; W437-Y461 HydrophobicContact CD2-CE2 4.3Å; W437-Y461 HydrophobicContact CD2-CG 4.4Å; W437-Y461 AromaticContact CE3-CD2 3.75Å; W437-Y461 HydrophobicContact CE3-CD2 3.75Å; W437-Y461 HydrophobicContact CE3-CG 4.33Å; W437-Y461 AromaticContact CG-CD2 3.62Å; W437-Y461 HydrophobicContact CG-CD2 3.62Å; W437-Y461 AromaticContact CG-CE2 3.9Å; W437-Y461 HydrophobicContact CG-CE2 3.9Å; W437-Y461 HydrophobicContact CZ3-CD2 4.46Å; A457-Y461 VanDerWaalsContact O-CB 3.24Å; A457-Y461 WeakPolarHBondContact O-CB 3.49Å; A457-Y461 PolarHBondContact O-N 3.26Å; E459-Y461 VanDerWaalsContact C-N 3.26Å; E459-Y461 PolarHBondContact O-N 2.85Å; Y461-A464 PolarHBondContact O-N 3.05Å; Y461-V465 HydrophobicContact CD1-CG2 4.46Å; Y461-V465 HydrophobicContact CE1-CG2 4.26Å; Y461-V465 WeakPolarHBondContact O-CG2 3.44Å; Y461-V465 PolarHBondContact O-N 3.25Å; Y461-P677 HydrophobicContact CD1-CB 4.48Å; Y461-P677 HydrophobicContact CD1-CG 4.02Å; Y461-P677 HydrophobicContact CD2-CB 4.25Å; Y461-P677 HydrophobicContact CD2-CG 3.59Å; Y461-P677 HydrophobicContact CE1-CB 3.8Å; Y461-P677 HydrophobicContact CE1-CG 3.84Å; Y461-P677 HydrophobicContact CE2-CB 3.53Å; Y461-P677 HydrophobicContact CE2-CG 3.38Å; Y461-P677 HydrophobicContact CG-CG 3.89Å; Y461-P677 VanDerWaalsContact OH-CB 3.28Å; Y461-P677 WeakPolarHBondContact OH-CB 3.17Å; Y461-R679 WeakPolarHBondContact CE1-O 3.39Å; Y461-R679 PolarHBondContact OH-O 3.42Å; Y461-I681 HydrophobicContact CD1-CB 4.32Å; Y461-I681 HydrophobicContact CD1-CD1 3.93Å; Y461-I681 HydrophobicContact CD1-CG1 4.06Å; Y461-I681 HydrophobicContact CD2-CD1 4.26Å; Y461-I681 HydrophobicContact CE1-CB 4.16Å; Y461-I681 HydrophobicContact CE1-CD1 3.6Å; Y461-I681 HydrophobicContact CE1-CG1 3.51Å; Y461-I681 HydrophobicContact CE2-CD1 3.95Å; Y461-I681 HydrophobicContact CG-CD1 4.26Å
462N90.9Very high89.8Confident6 Ų628.3 Ų28.33%0.03214%0.144CC..Hα-helixtrans-76.6-27.2179.6-76.415.9000113.1R3 L458 E459 A464 V465 N466 S680 I681R3-N462 WeakPolarHBondContact CD-ND2 3.4Å; R3-N462 VanDerWaalsContact CZ-CB 3.42Å; R3-N462 PolarHBondContact NE-ND2 3.32Å; R3-N462 VanDerWaalsContact NH1-CB 3.3Å; R3-N462 PolarHBondContact NH2-ND2 3.1Å; R3-N462 PolarHBondContact NH2-OD1 3.22Å; R3-N462 VanDerWaalsContact NH2-OD1 3.12Å; L458-N462 PolarHBondContact O-N 3.31Å; E459-N462 PolarHBondContact O-N 2.93Å; N462-A464 VanDerWaalsContact C-N 3.31Å; N462-V465 PolarHBondContact O-N 3.29Å; N462-N466 WeakPolarHBondContact O-CB 3.29Å; N462-N466 PolarHBondContact O-N 2.98Å; N462-N466 PolarHBondContact O-ND2 2.99Å; N462-S680 VanDerWaalsContact ND2-CB 3.35Å; N462-S680 WeakPolarHBondContact ND2-CB 3.43Å; N462-S680 VanDerWaalsContact OD1-CA 3.26Å; N462-S680 WeakPolarHBondContact OD1-CA 3.23Å; N462-I681 PolarHBondContact ND2-O 2.61Å; N462-I681 PolarHBondContact OD1-N 2.81Å; N462-I681 PolarHBondContact OD1-O 2.93Å
463Y90.2Very high89.7Confident19 Ų1931 Ų318%0.07516%0.163CC..Hα-helixtrans-59.6-47.9172-178.9-110.2000109.3P298 E459 Q460 V465 N466 Y467 E471 I672P298-Y463 HydrophobicContact CB-CE1 4.37Å; P298-Y463 PolarHBondContact O-OH 3.42Å; E459-Y463 VanDerWaalsContact O-CB 3.23Å; E459-Y463 WeakPolarHBondContact O-CB 3.45Å; E459-Y463 PolarHBondContact O-N 3.46Å; Q460-Y463 PolarHBondContact O-N 3.03Å; Y463-V465 VanDerWaalsContact C-N 3.32Å; Y463-V465 PolarHBondContact O-N 3.41Å; Y463-N466 CarbonylContact O-C 3.58Å; Y463-N466 PolarHBondContact O-N 3.14Å; Y463-N466 VanDerWaalsContact O-N 3.15Å; Y463-Y467 AromaticContact CE1-CD2 3.86Å; Y463-Y467 HydrophobicContact CE1-CD2 3.86Å; Y463-Y467 HydrophobicContact CE1-CE2 4.33Å; Y463-Y467 HydrophobicContact CE2-CD2 4.09Å; Y463-Y467 AromaticContact CZ-CD2 3.52Å; Y463-Y467 AromaticContact CZ-CE2 3.91Å; Y463-Y467 WeakPolarHBondContact O-CA 3.45Å; Y463-Y467 VanDerWaalsContact O-CB 3.26Å; Y463-Y467 WeakPolarHBondContact O-CB 3.44Å; Y463-Y467 PolarHBondContact O-N 2.82Å; Y463-Y467 WeakPolarHBondContact OH-CD2 3.46Å; Y463-Y467 VanDerWaalsContact OH-CE2 3.3Å; Y463-Y467 WeakPolarHBondContact OH-CE2 3.48Å; Y463-E471 HydrophobicContact CE2-CG 3.73Å; Y463-E471 WeakPolarHBondContact OH-CG 3.33Å; Y463-I672 HydrophobicContact CD1-CD1 3.63Å; Y463-I672 HydrophobicContact CE1-CD1 3.19Å; Y463-I672 HydrophobicContact CE1-CG1 3.9Å; Y463-I672 HydrophobicContact CE1-CG2 4.4Å
464A89.4Confident89.5Confident2 Ų230.9 Ų30.92%0.01716%0.162CC..Hα-helixtrans-56.7-42.6174.400000112.6W437 Q460 Y461 N462 L674 T676W437-A464 HydrophobicContact CZ2-CB 4.16Å; Q460-A464 WeakPolarHBondContact O-CB 3.26Å; Q460-A464 PolarHBondContact O-N 3.01Å; Y461-A464 PolarHBondContact O-N 3.05Å; N462-A464 VanDerWaalsContact C-N 3.31Å; A464-L674 HydrophobicContact CB-CB 4.17Å; A464-L674 HydrophobicContact CB-CD1 4.41Å; A464-T676 WeakPolarHBondContact O-CG2 3.16Å
465V86.9Confident89.3Confident37 Ų3734.7 Ų34.722%0.22419%0.186CC..Hα-helixtrans-62.2-44176.2177.80000112.4Y461 N462 Y463 P677 R679 S680Y461-V465 HydrophobicContact CD1-CG2 4.46Å; Y461-V465 HydrophobicContact CE1-CG2 4.26Å; Y461-V465 WeakPolarHBondContact O-CG2 3.44Å; Y461-V465 PolarHBondContact O-N 3.25Å; N462-V465 PolarHBondContact O-N 3.29Å; Y463-V465 VanDerWaalsContact C-N 3.32Å; Y463-V465 PolarHBondContact O-N 3.41Å; V465-P677 HydrophobicContact CG2-CB 3.76Å; V465-P677 HydrophobicContact CG2-CG 3.74Å; V465-R679 WeakPolarHBondContact CG2-O 3.43Å; V465-S680 WeakPolarHBondContact CG1-OG 3.25Å
466N85.2Confident88.8Confident33 Ų3333.7 Ų33.718%0.17618%0.182CC..Hα-helixtrans-99.2-3.6-170.2-65-78.1000113.7N462 Y463 A468 R469 L470 S680N462-N466 WeakPolarHBondContact O-CB 3.29Å; N462-N466 PolarHBondContact O-N 2.98Å; N462-N466 PolarHBondContact O-ND2 2.99Å; Y463-N466 CarbonylContact O-C 3.58Å; Y463-N466 PolarHBondContact O-N 3.14Å; Y463-N466 VanDerWaalsContact O-N 3.15Å; N466-A468 PolarHBondContact O-N 2.99Å; N466-R469 PolarHBondContact O-N 3.36Å; N466-L470 HydrophobicContact CB-CD1 3.62Å; N466-L470 HydrophobicContact CB-CG 3.92Å; N466-L470 PolarHBondContact O-N 2.94Å; N466-S680 PolarHBondContact ND2-OG 3.25Å
467Y85.2Confident88.2Confident67 Ų6737.1 Ų37.126%0.26321%0.206SC..Hα-helixtrans-51.7-53.8-170.6175.2-105.5000112.2Y463 R469 L470 E471 A671 I672Y463-Y467 AromaticContact CE1-CD2 3.86Å; Y463-Y467 HydrophobicContact CE1-CD2 3.86Å; Y463-Y467 HydrophobicContact CE1-CE2 4.33Å; Y463-Y467 HydrophobicContact CE2-CD2 4.09Å; Y463-Y467 AromaticContact CZ-CD2 3.52Å; Y463-Y467 AromaticContact CZ-CE2 3.91Å; Y463-Y467 WeakPolarHBondContact O-CA 3.45Å; Y463-Y467 VanDerWaalsContact O-CB 3.26Å; Y463-Y467 WeakPolarHBondContact O-CB 3.44Å; Y463-Y467 PolarHBondContact O-N 2.82Å; Y463-Y467 WeakPolarHBondContact OH-CD2 3.46Å; Y463-Y467 VanDerWaalsContact OH-CE2 3.3Å; Y463-Y467 WeakPolarHBondContact OH-CE2 3.48Å; Y467-R469 PolarHBondContact O-N 3.09Å; Y467-L470 PolarHBondContact O-N 2.96Å; Y467-E471 HydrophobicContact CD2-CB 3.71Å; Y467-E471 HydrophobicContact CD2-CG 3.47Å; Y467-E471 VanDerWaalsContact CD2-CG 3.47Å; Y467-E471 HydrophobicContact CE2-CB 3.62Å; Y467-E471 HydrophobicContact CE2-CG 3.62Å; Y467-E471 HydrophobicContact CG-CB 4.49Å; Y467-E471 WeakPolarHBondContact O-CB 3.45Å; Y467-E471 PolarHBondContact O-N 3.35Å; Y467-A671 HydrophobicContact CE1-CB 3.74Å; Y467-I672 HydrophobicContact CD1-CD1 4.01Å; Y467-I672 HydrophobicContact CD1-CG1 4.41Å; Y467-I672 HydrophobicContact CD2-CD1 3.28Å; Y467-I672 HydrophobicContact CD2-CG1 3.84Å; Y467-I672 HydrophobicContact CE1-CD1 4.37Å; Y467-I672 HydrophobicContact CE1-CG1 4.29Å; Y467-I672 HydrophobicContact CE2-CD1 3.65Å; Y467-I672 HydrophobicContact CE2-CG1 3.63Å; Y467-I672 HydrophobicContact CG-CD1 3.42Å; Y467-I672 VanDerWaalsContact CG-CD1 3.42Å; Y467-I672 HydrophobicContact CG-CG1 4.18Å
468A82.5Confident87.5Confident87 Ų8741.6 Ų41.672%0.71923%0.23SC*.Hα-helixtrans-55.7-29.2-177.800000113N466N466-A468 PolarHBondContact O-N 2.99Å
469R83.8Confident87Confident64 Ų6443.4 Ų43.424%0.24225%0.25CS..Hα-helixtrans-90.8-48.8178.8-172.7-179.1-175.3162.63.4112.6N466 Y467 F598 Y648 Y650N466-R469 PolarHBondContact O-N 3.36Å; Y467-R469 PolarHBondContact O-N 3.09Å; R469-F598 HydrophobicContact CG-CD1 4.27Å; R469-F598 HydrophobicContact CG-CE1 4.41Å; R469-F598 WeakPolarHBondContact O-CB 3.49Å; R469-Y648 PolarHBondContact NH1-OH 3.42Å; R469-Y648 PolarHBondContact NH2-O 2.78Å; R469-Y650 VanDerWaalsContact CG-OH 3.3Å; R469-Y650 WeakPolarHBondContact CG-OH 3.27Å; R469-Y650 PolarHBondContact NE-OH 2.98Å
470L85.4Confident86.8Confident17 Ų1742.6 Ų42.69%0.08925%0.249CC..Hα-helixtrans-77.8-32.7-171.3-72.5-176.6000112.7L4 N466 Y467 F598 N599 L602 Y648L4-L470 HydrophobicContact CD1-CD1 4.11Å; L4-L470 HydrophobicContact CD1-CD2 4.19Å; N466-L470 HydrophobicContact CB-CD1 3.62Å; N466-L470 HydrophobicContact CB-CG 3.92Å; N466-L470 PolarHBondContact O-N 2.94Å; Y467-L470 PolarHBondContact O-N 2.96Å; L470-F598 HydrophobicContact CD2-CD1 4.33Å; L470-F598 PolarHBondContact O-N 3.45Å; L470-N599 HydrophobicContact CB-CB 4.2Å; L470-N599 HydrophobicContact CD2-CB 4.42Å; L470-N599 PolarHBondContact O-N 3.02Å; L470-L602 HydrophobicContact CD2-CD1 4.08Å; L470-Y648 HydrophobicContact CD2-CE2 4.18Å
471E87.3Confident86.7Confident55 Ų5542.5 Ų42.526%0.25725%0.248SC..SBendtrans-95.75.2178-59.4-50.5143.300113.3Y463 Y467 V473 S597Y463-E471 HydrophobicContact CE2-CG 3.73Å; Y463-E471 WeakPolarHBondContact OH-CG 3.33Å; Y467-E471 HydrophobicContact CD2-CB 3.71Å; Y467-E471 HydrophobicContact CD2-CG 3.47Å; Y467-E471 VanDerWaalsContact CD2-CG 3.47Å; Y467-E471 HydrophobicContact CE2-CB 3.62Å; Y467-E471 HydrophobicContact CE2-CG 3.62Å; Y467-E471 HydrophobicContact CG-CB 4.49Å; Y467-E471 WeakPolarHBondContact O-CB 3.45Å; Y467-E471 PolarHBondContact O-N 3.35Å; E471-V473 PolarHBondContact O-N 2.82Å; E471-S597 WeakPolarHBondContact OE2-CB 3.35Å; E471-S597 PolarHBondContact OE2-OG 2.67Å
472H88.3Confident86.4Confident84 Ų8443 Ų4339%0.38925%0.252SS..  trans-57.3115.9168179.4-82.9000109.5I474 F598 Y658H472-I474 PolarHBondContact O-N 2.91Å; H472-F598 PolarHBondContact O-N 3.4Å; H472-Y658 AromaticContact CE1-CD1 3.57Å; H472-Y658 AromaticContact CE1-CE1 3.78Å
473V90.5Very high86.3Confident79 Ų7944.5 Ų44.548%0.47926%0.259SS..EExtended strand (participates in β ladder)trans-73.8122178.3179.70000109E471E471-V473 PolarHBondContact O-N 2.82Å
474I89.2Confident86.3Confident0 Ų044 Ų440%026%0.257CS..EExtended strand (participates in β ladder)trans-93.699173.2-66.7172.3000107.9H472 Y484 G595 I596 F598 L601 Y658H472-I474 PolarHBondContact O-N 2.91Å; I474-Y484 HydrophobicContact CG2-CD1 3.9Å; I474-Y484 HydrophobicContact CG2-CE1 3.34Å; I474-G595 WeakPolarHBondContact O-CA 3.48Å; I474-I596 PolarHBondContact N-O 2.9Å; I474-I596 PolarHBondContact O-N 2.76Å; I474-F598 HydrophobicContact CD1-CB 4.16Å; I474-F598 HydrophobicContact CD1-CD2 3.55Å; I474-F598 HydrophobicContact CD1-CE2 4.43Å; I474-F598 HydrophobicContact CD1-CG 4.31Å; I474-L601 HydrophobicContact CD1-CD2 3.49Å; I474-L601 VanDerWaalsContact CD1-CD2 3.49Å; I474-Y658 HydrophobicContact CD1-CD2 4.24Å; I474-Y658 HydrophobicContact CD1-CE2 3.98Å; I474-Y658 HydrophobicContact CG1-CE1 4.29Å; I474-Y658 HydrophobicContact CG1-CE2 4.06Å; I474-Y658 HydrophobicContact CG2-CE2 4.17Å; I474-Y658 VanDerWaalsContact CG2-OH 3.25Å; I474-Y658 WeakPolarHBondContact CG2-OH 3.27Å
475T88Confident86.4Confident84 Ų8443.9 Ų43.952%0.51526%0.257SS..  trans-76.7130.3170.7-50.10000109.4
476P82.3Confident86.7Confident6 Ų644.3 Ų44.34%0.03926%0.256CS..  trans-63.6128.1179.124.7-33000110.9D478 G479 S480P476-D478 PolarHBondContact O-N 3Å; P476-G479 PolarHBondContact O-N 3.24Å; P476-G479 VanDerWaalsContact O-N 3.13Å; P476-S480 WeakPolarHBondContact CB-O 3.3Å
477P80.7Confident87Confident93 Ų9345.7 Ų45.760%0.60427%0.266SS*.THydrogen-bonded Turntrans-59.7-28.7-176.5-26.435.7000115Y484P477-Y484 HydrophobicContact CG-CD2 4.33Å
478D81Confident87.4Confident94 Ų9442.5 Ų42.550%0.50325%0.254SS..THydrogen-bonded Turntrans-106.211.1-177.865-21.8000112.7P476 S480 N483P476-D478 PolarHBondContact O-N 3Å; D478-S480 VanDerWaalsContact C-N 3.29Å; D478-S480 PolarHBondContact O-N 3Å; D478-S480 PolarHBondContact OD1-N 3.41Å; D478-N483 WeakPolarHBondContact OD2-CB 3.25Å; D478-N483 PolarHBondContact OD2-ND2 2.87Å
479G82.1Confident88Confident43 Ų4338.4 Ų38.444%0.44322%0.219SC..SBendtrans80.1-0179.400000115.4P476P476-G479 PolarHBondContact O-N 3.24Å; P476-G479 VanDerWaalsContact O-N 3.13Å
480S88.3Confident88.6Confident20 Ų2036.4 Ų36.414%0.1422%0.215CC..  trans-123.5116.3177.8168.60000111.9P476 D478 V482 N483 Y484 E592P476-S480 WeakPolarHBondContact CB-O 3.3Å; D478-S480 VanDerWaalsContact C-N 3.29Å; D478-S480 PolarHBondContact O-N 3Å; D478-S480 PolarHBondContact OD1-N 3.41Å; S480-V482 VanDerWaalsContact C-N 3.29Å; S480-V482 PolarHBondContact O-N 3.39Å; S480-V482 PolarHBondContact OG-N 2.93Å; S480-N483 PolarHBondContact O-N 3.03Å; S480-N483 PolarHBondContact OG-N 3.33Å; S480-N483 PolarHBondContact OG-OD1 3.24Å; S480-Y484 PolarHBondContact O-N 3.34Å; S480-E592 WeakPolarHBondContact CA-OE1 3.48Å; S480-E592 VanDerWaalsContact CB-OE1 3.28Å; S480-E592 WeakPolarHBondContact CB-OE1 3.42Å; S480-E592 PolarHBondContact OG-OE1 2.92Å
481L90.3Very high89Confident0 Ų037.5 Ų37.50%022%0.22CC..Hα-helixtrans-60.7-41.6174.4173.667.9000110.8N483 Y484 L485 L587 E592 I596L481-N483 VanDerWaalsContact C-N 3.27Å; L481-N483 PolarHBondContact O-N 2.92Å; L481-Y484 PolarHBondContact O-N 3.39Å; L481-Y484 VanDerWaalsContact O-N 3.13Å; L481-L485 HydrophobicContact CD1-CD1 4.43Å; L481-L485 HydrophobicContact CD1-CD2 4.5Å; L481-L485 HydrophobicContact CD1-CG 4.12Å; L481-L485 HydrophobicContact CG-CD1 4.04Å; L481-L485 HydrophobicContact CG-CG 4.17Å; L481-L485 WeakPolarHBondContact O-CB 3.41Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 2.68Å; L481-L587 HydrophobicContact CD2-CD1 3.83Å; L481-E592 WeakPolarHBondContact CB-O 3.42Å; L481-E592 WeakPolarHBondContact CB-OE2 3.22Å; L481-E592 PolarHBondContact N-O 3.4Å; L481-E592 PolarHBondContact N-OE1 2.76Å; L481-E592 PolarHBondContact N-OE2 2.85Å; L481-I596 HydrophobicContact CD1-CD1 3.82Å; L481-I596 HydrophobicContact CD1-CG1 3.76Å; L481-I596 HydrophobicContact CD1-CG2 4.27Å; L481-I596 HydrophobicContact CD2-CG2 3.58Å
482V87.9Confident89.3Confident13 Ų1334.9 Ų34.98%0.07921%0.208CC..Hα-helixtrans-56.2-40.3176.41640000111.9S480 H486 L520 F541 E592S480-V482 VanDerWaalsContact C-N 3.29Å; S480-V482 PolarHBondContact O-N 3.39Å; S480-V482 PolarHBondContact OG-N 2.93Å; V482-H486 PolarHBondContact O-N 3.49Å; V482-L520 HydrophobicContact CG1-CD1 3.92Å; V482-L520 HydrophobicContact CG1-CD2 3.33Å; V482-L520 HydrophobicContact CG1-CG 3.63Å; V482-F541 HydrophobicContact CG2-CE2 3.86Å; V482-F541 HydrophobicContact CG2-CZ 4.11Å; V482-E592 VanDerWaalsContact CG2-OE2 3.3Å; V482-E592 WeakPolarHBondContact CG2-OE2 3.37Å; V482-E592 PolarHBondContact N-OE1 3.24Å; V482-E592 PolarHBondContact N-OE2 3.33Å; V482-E592 VanDerWaalsContact N-OE2 3.12Å
483N87.1Confident89.7Confident37 Ų3730.9 Ų30.920%0.19819%0.189CC..Hα-helixtrans-70.4-39.4175.3-66.3-7.3000113D478 S480 L481 H486 T487 R506D478-N483 WeakPolarHBondContact OD2-CB 3.25Å; D478-N483 PolarHBondContact OD2-ND2 2.87Å; S480-N483 PolarHBondContact O-N 3.03Å; S480-N483 PolarHBondContact OG-N 3.33Å; S480-N483 PolarHBondContact OG-OD1 3.24Å; L481-N483 VanDerWaalsContact C-N 3.27Å; L481-N483 PolarHBondContact O-N 2.92Å; N483-H486 WeakPolarHBondContact O-CB 3.26Å; N483-H486 PolarHBondContact O-N 2.86Å; N483-T487 PolarHBondContact O-N 2.86Å; N483-T487 VanDerWaalsContact O-N 3.13Å; N483-T487 PolarHBondContact O-OG1 3.41Å; N483-R506 PolarHBondContact OD1-NE 2.92Å; N483-R506 PolarHBondContact OD1-NH1 3.46Å; N483-R506 PolarHBondContact OD1-NH2 2.98Å
484Y91.2Very high89.8Confident8 Ų830.9 Ų30.93%0.03119%0.186CC..Hα-helixtrans-64.2-43.6175.1-179.7-110.8000111.7I474 P477 S480 L481 H486 T487 V488 L601 S654 L655 Y658I474-Y484 HydrophobicContact CG2-CD1 3.9Å; I474-Y484 HydrophobicContact CG2-CE1 3.34Å; P477-Y484 HydrophobicContact CG-CD2 4.33Å; S480-Y484 PolarHBondContact O-N 3.34Å; L481-Y484 PolarHBondContact O-N 3.39Å; L481-Y484 VanDerWaalsContact O-N 3.13Å; Y484-H486 VanDerWaalsContact C-N 3.31Å; Y484-H486 PolarHBondContact O-N 3.06Å; Y484-T487 WeakPolarHBondContact O-CB 3.16Å; Y484-T487 PolarHBondContact O-N 3.2Å; Y484-T487 VanDerWaalsContact O-N 3.15Å; Y484-V488 HydrophobicContact CD1-CG2 4.35Å; Y484-V488 HydrophobicContact CE1-CG2 3.79Å; Y484-V488 HydrophobicContact CE2-CG2 4.02Å; Y484-V488 WeakPolarHBondContact O-CG2 3.37Å; Y484-V488 PolarHBondContact O-N 3.41Å; Y484-L601 HydrophobicContact CE1-CD2 3.92Å; Y484-S654 PolarHBondContact OH-O 3.01Å; Y484-L655 WeakPolarHBondContact OH-CD2 3.42Å; Y484-Y658 WeakPolarHBondContact OH-CE2 3.37Å
485L92.4Very high90Very high0 Ų032.3 Ų32.30%020%0.195CC..Hα-helixtrans-59.8-40.8173.6-70.9177.6000111.6L481 T487 V488 F489 L520 L601 L604L481-L485 HydrophobicContact CD1-CD1 4.43Å; L481-L485 HydrophobicContact CD1-CD2 4.5Å; L481-L485 HydrophobicContact CD1-CG 4.12Å; L481-L485 HydrophobicContact CG-CD1 4.04Å; L481-L485 HydrophobicContact CG-CG 4.17Å; L481-L485 WeakPolarHBondContact O-CB 3.41Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 2.68Å; L485-T487 VanDerWaalsContact C-N 3.32Å; L485-T487 PolarHBondContact O-N 2.82Å; L485-V488 PolarHBondContact O-N 2.86Å; L485-F489 HydrophobicContact CB-CD2 4.3Å; L485-F489 HydrophobicContact CB-CE2 3.9Å; L485-F489 HydrophobicContact CB-CZ 4.46Å; L485-F489 HydrophobicContact CD2-CE2 4.45Å; L485-F489 HydrophobicContact CD2-CZ 4.18Å; L485-F489 WeakPolarHBondContact O-CB 3.27Å; L485-F489 WeakPolarHBondContact O-CD2 3.27Å; L485-F489 WeakPolarHBondContact O-CG 3.32Å; L485-F489 PolarHBondContact O-N 3.31Å; L485-L520 HydrophobicContact CB-CD1 4.46Å; L485-L601 HydrophobicContact CD2-CD1 3.5Å; L485-L601 VanDerWaalsContact CD2-CD1 3.5Å; L485-L604 HydrophobicContact CD1-CD1 4.03Å; L485-L604 HydrophobicContact CD2-CD1 3.81Å
486H91.5Very high90.3Very high47 Ų4728.3 Ų28.322%0.21817%0.171CC..Hα-helixtrans-54.5-48.3172.9174.165.6000112.1V482 N483 Y484 F489 C490 Y522V482-H486 PolarHBondContact O-N 3.49Å; N483-H486 WeakPolarHBondContact O-CB 3.26Å; N483-H486 PolarHBondContact O-N 2.86Å; Y484-H486 VanDerWaalsContact C-N 3.31Å; Y484-H486 PolarHBondContact O-N 3.06Å; H486-F489 PolarHBondContact O-N 3.04Å; H486-C490 PolarHBondContact CE1-SG 2.91Å; H486-C490 WeakPolarHBondContact O-CB 3.37Å; H486-C490 PolarHBondContact O-N 3Å; H486-C490 PolarHBondContact O-SG 2.95Å; H486-Y522 VanDerWaalsContact CA-OH 3.24Å; H486-Y522 WeakPolarHBondContact CA-OH 2.8Å; H486-Y522 WeakPolarHBondContact CB-OH 3.27Å; H486-Y522 AromaticContact CE1-CE1 3.75Å; H486-Y522 AromaticContact ND1-CE1 3.15Å; H486-Y522 WeakPolarHBondContact ND1-CE1 3.37Å; H486-Y522 AromaticContact ND1-CZ 3.42Å; H486-Y522 PolarHBondContact ND1-OH 3.31Å
487T92.4Very high90.9Very high62 Ų6229.2 Ų29.238%0.3817%0.174SC..Hα-helixtrans-61.2-49.8179.3-550000111.2N483 Y484 L485 F489 C490 E491N483-T487 PolarHBondContact O-N 2.86Å; N483-T487 VanDerWaalsContact O-N 3.13Å; N483-T487 PolarHBondContact O-OG1 3.41Å; Y484-T487 WeakPolarHBondContact O-CB 3.16Å; Y484-T487 PolarHBondContact O-N 3.2Å; Y484-T487 VanDerWaalsContact O-N 3.15Å; L485-T487 VanDerWaalsContact C-N 3.32Å; L485-T487 PolarHBondContact O-N 2.82Å; T487-F489 PolarHBondContact O-N 3.25Å; T487-C490 PolarHBondContact O-N 3.38Å; T487-E491 WeakPolarHBondContact O-CG 3.41Å; T487-E491 PolarHBondContact O-N 2.74Å
488V94Very high91.6Very high0 Ų024.9 Ų24.90%015%0.146CC..Hα-helixtrans-58.7-45.6179.2170.50000111.5Y484 L485 L492 L601 I605 I652Y484-V488 HydrophobicContact CD1-CG2 4.35Å; Y484-V488 HydrophobicContact CE1-CG2 3.79Å; Y484-V488 HydrophobicContact CE2-CG2 4.02Å; Y484-V488 WeakPolarHBondContact O-CG2 3.37Å; Y484-V488 PolarHBondContact O-N 3.41Å; L485-V488 PolarHBondContact O-N 2.86Å; V488-L492 WeakPolarHBondContact O-CB 3.42Å; V488-L492 PolarHBondContact O-N 3.33Å; V488-L601 HydrophobicContact CG1-CD1 4.34Å; V488-I605 HydrophobicContact CG1-CD1 3.84Å; V488-I605 HydrophobicContact CG1-CG1 3.89Å; V488-I652 HydrophobicContact CG1-CD1 3.99Å
489F95.3Very high92.3Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-70-36.5-179.6-64-32.4000112.7L485 H486 T487 L492 A493 L500 Y522 I538 L604 I605 F608L485-F489 HydrophobicContact CB-CD2 4.3Å; L485-F489 HydrophobicContact CB-CE2 3.9Å; L485-F489 HydrophobicContact CB-CZ 4.46Å; L485-F489 HydrophobicContact CD2-CE2 4.45Å; L485-F489 HydrophobicContact CD2-CZ 4.18Å; L485-F489 WeakPolarHBondContact O-CB 3.27Å; L485-F489 WeakPolarHBondContact O-CD2 3.27Å; L485-F489 WeakPolarHBondContact O-CG 3.32Å; L485-F489 PolarHBondContact O-N 3.31Å; H486-F489 PolarHBondContact O-N 3.04Å; T487-F489 PolarHBondContact O-N 3.25Å; F489-L492 PolarHBondContact O-N 3.25Å; F489-A493 VanDerWaalsContact O-CB 3.23Å; F489-A493 WeakPolarHBondContact O-CB 3.37Å; F489-A493 PolarHBondContact O-N 2.7Å; F489-L500 HydrophobicContact CB-CD1 3.89Å; F489-L500 WeakPolarHBondContact O-CD1 3.42Å; F489-Y522 HydrophobicContact CD2-CE2 4.39Å; F489-I538 HydrophobicContact CD2-CD1 3.61Å; F489-I538 HydrophobicContact CE2-CD1 3.37Å; F489-I538 HydrophobicContact CZ-CD1 4.3Å; F489-L604 HydrophobicContact CE1-CB 4.48Å; F489-L604 HydrophobicContact CZ-CB 4.11Å; F489-I605 HydrophobicContact CE1-CG1 4.46Å; F489-F608 HydrophobicContact CB-CD1 4.33Å; F489-F608 HydrophobicContact CB-CD2 4.3Å; F489-F608 HydrophobicContact CB-CE1 3.97Å; F489-F608 HydrophobicContact CB-CE2 4Å; F489-F608 HydrophobicContact CB-CG 4.48Å; F489-F608 HydrophobicContact CB-CZ 3.84Å; F489-F608 HydrophobicContact CD1-CB 3.9Å; F489-F608 AromaticContact CD1-CD1 3.77Å; F489-F608 HydrophobicContact CD1-CD1 3.77Å; F489-F608 AromaticContact CD1-CD2 3.97Å; F489-F608 HydrophobicContact CD1-CD2 3.97Å; F489-F608 HydrophobicContact CD1-CE1 4.28Å; F489-F608 AromaticContact CD1-CG 3.59Å; F489-F608 HydrophobicContact CD1-CG 3.59Å; F489-F608 HydrophobicContact CD2-CD2 4.25Å; F489-F608 HydrophobicContact CD2-CE2 4.5Å; F489-F608 HydrophobicContact CE1-CB 3.71Å; F489-F608 HydrophobicContact CE1-CD1 4.44Å; F489-F608 HydrophobicContact CE1-CD2 4.35Å; F489-F608 AromaticContact CE1-CG 3.92Å; F489-F608 HydrophobicContact CE1-CG 3.92Å; F489-F608 HydrophobicContact CG-CD1 4.24Å; F489-F608 AromaticContact CG-CD2 3.92Å; F489-F608 HydrophobicContact CG-CD2 3.92Å; F489-F608 HydrophobicContact CG-CE1 4.36Å; F489-F608 HydrophobicContact CG-CE2 4.11Å; F489-F608 HydrophobicContact CG-CG 4.01Å; F489-F608 HydrophobicContact CG-CZ 4.34Å; F489-F608 HydrophobicContact CZ-CB 4.32Å
490C94.6Very high92.9Very high23 Ų2323.3 Ų23.316%0.15512%0.123CC..Hα-helixtrans-62.4-47.9174.1-70.70000111.4H486 T487 L492 A493 N494H486-C490 PolarHBondContact CE1-SG 2.91Å; H486-C490 WeakPolarHBondContact O-CB 3.37Å; H486-C490 PolarHBondContact O-N 3Å; H486-C490 PolarHBondContact O-SG 2.95Å; T487-C490 PolarHBondContact O-N 3.38Å; C490-L492 VanDerWaalsContact C-N 3.35Å; C490-L492 PolarHBondContact O-N 2.72Å; C490-A493 PolarHBondContact O-N 3.07Å; C490-N494 WeakPolarHBondContact O-CB 3.44Å; C490-N494 PolarHBondContact O-N 3.33Å; C490-N494 PolarHBondContact O-ND2 3.46Å; C490-N494 PolarHBondContact O-OD1 3.35Å
491E93.9Very high93Very high39 Ų3924.1 Ų24.118%0.18213%0.127CC..Hα-helixtrans-61.1-44177.3-70.7179.2178.900111.8T487 N494 V495 I652 P653 S654T487-E491 WeakPolarHBondContact O-CG 3.41Å; T487-E491 PolarHBondContact O-N 2.74Å; E491-N494 PolarHBondContact O-N 3.38Å; E491-V495 WeakPolarHBondContact O-CG2 3.23Å; E491-V495 PolarHBondContact O-N 3.5Å; E491-V495 VanDerWaalsContact O-N 3.16Å; E491-I652 HydrophobicContact CB-CB 4.07Å; E491-I652 HydrophobicContact CB-CD1 4.19Å; E491-I652 HydrophobicContact CB-CG2 4.37Å; E491-I652 WeakPolarHBondContact OE2-CB 3.36Å; E491-P653 WeakPolarHBondContact OE2-CD 3.43Å; E491-S654 WeakPolarHBondContact OE1-CB 3.41Å; E491-S654 PolarHBondContact OE1-N 2.89Å; E491-S654 VanDerWaalsContact OE1-N 3.11Å; E491-S654 WeakPolarHBondContact OE2-CB 3.49Å; E491-S654 PolarHBondContact OE2-N 3.22Å; E491-S654 PolarHBondContact OE2-OG 3.18Å
492L94.8Very high92.8Very high1 Ų126.2 Ų26.21%0.00514%0.142CC..Hα-helixtrans-64.6-42.4177.7-178.560.3000112.4V488 F489 C490 N494 V495 F496 I605 F608 C643 I646 I652V488-L492 WeakPolarHBondContact O-CB 3.42Å; V488-L492 PolarHBondContact O-N 3.33Å; F489-L492 PolarHBondContact O-N 3.25Å; C490-L492 VanDerWaalsContact C-N 3.35Å; C490-L492 PolarHBondContact O-N 2.72Å; L492-N494 VanDerWaalsContact C-N 3.34Å; L492-V495 WeakPolarHBondContact O-CB 3.36Å; L492-V495 PolarHBondContact O-N 2.87Å; L492-F496 HydrophobicContact CD1-CE2 3.91Å; L492-F496 HydrophobicContact CG-CE2 4.49Å; L492-F496 VanDerWaalsContact O-CD2 3.26Å; L492-F496 WeakPolarHBondContact O-CD2 3.43Å; L492-I605 HydrophobicContact CD2-CB 4.44Å; L492-I605 HydrophobicContact CD2-CG1 4.48Å; L492-I605 HydrophobicContact CD2-CG2 3.75Å; L492-F608 HydrophobicContact CD2-CD1 3.84Å; L492-F608 HydrophobicContact CD2-CE1 4.42Å; L492-F608 HydrophobicContact CG-CD1 4.46Å; L492-C643 HydrophobicContact CD2-CB 4.29Å; L492-I646 HydrophobicContact CD1-CB 4.22Å; L492-I646 HydrophobicContact CD1-CD1 4.31Å; L492-I646 HydrophobicContact CD1-CG2 3.98Å; L492-I652 HydrophobicContact CB-CD1 4.5Å
493A95.4Very high92.4Very high0 Ų029.6 Ų29.60%016%0.157CC..Hα-helixtrans-63.3-40.7175.900000111.6F489 C490 V495 F496 H497 F498 L500 F608 L612F489-A493 VanDerWaalsContact O-CB 3.23Å; F489-A493 WeakPolarHBondContact O-CB 3.37Å; F489-A493 PolarHBondContact O-N 2.7Å; C490-A493 PolarHBondContact O-N 3.07Å; A493-V495 VanDerWaalsContact C-N 3.3Å; A493-V495 PolarHBondContact O-N 2.96Å; A493-F496 CarbonylContact O-C 3.55Å; A493-F496 WeakPolarHBondContact O-CA 3.44Å; A493-F496 PolarHBondContact O-N 3.47Å; A493-H497 PolarHBondContact O-N 3.4Å; A493-F498 CarbonylContact C-O 3.53Å; A493-F498 VanDerWaalsContact C-O 3.23Å; A493-F498 HydrophobicContact CB-CB 4.16Å; A493-F498 PolarHBondContact O-N 3.28Å; A493-L500 HydrophobicContact CB-CD1 3.96Å; A493-L500 HydrophobicContact CB-CD2 3.91Å; A493-L500 HydrophobicContact CB-CG 3.66Å; A493-F608 HydrophobicContact CB-CE1 4.34Å; A493-F608 HydrophobicContact CB-CZ 4.39Å; A493-L612 HydrophobicContact CB-CD2 4.44Å
494N94.1Very high91.4Very high78 Ų7830.4 Ų30.442%0.41716%0.16SC..Hα-helixtrans-61.4-36.8177.7-73.5-17.1000112.2C490 E491 L492 F496 H497 F498C490-N494 WeakPolarHBondContact O-CB 3.44Å; C490-N494 PolarHBondContact O-N 3.33Å; C490-N494 PolarHBondContact O-ND2 3.46Å; C490-N494 PolarHBondContact O-OD1 3.35Å; E491-N494 PolarHBondContact O-N 3.38Å; L492-N494 VanDerWaalsContact C-N 3.34Å; N494-F496 PolarHBondContact O-N 3.44Å; N494-H497 PolarHBondContact O-N 2.87Å; N494-F498 WeakPolarHBondContact CA-O 3.4Å; N494-F498 PolarHBondContact N-O 3.16Å; N494-F498 PolarHBondContact OD1-O 3Å
495V92.4Very high89.6Confident31 Ų3133.9 Ų33.919%0.18818%0.184CC..Hα-helixtrans-55-38.2174171.30000111E491 L492 A493 H497 I646 I652 F785E491-V495 WeakPolarHBondContact O-CG2 3.23Å; E491-V495 PolarHBondContact O-N 3.5Å; E491-V495 VanDerWaalsContact O-N 3.16Å; L492-V495 WeakPolarHBondContact O-CB 3.36Å; L492-V495 PolarHBondContact O-N 2.87Å; A493-V495 VanDerWaalsContact C-N 3.3Å; A493-V495 PolarHBondContact O-N 2.96Å; V495-H497 VanDerWaalsContact C-N 3.32Å; V495-H497 PolarHBondContact O-N 3.15Å; V495-I646 HydrophobicContact CG1-CD1 4.03Å; V495-I652 HydrophobicContact CG2-CG2 3.9Å; V495-F785 HydrophobicContact CG1-CB 4.49Å; V495-F785 HydrophobicContact CG1-CD1 3.73Å; V495-F785 HydrophobicContact CG1-CD2 3.55Å; V495-F785 HydrophobicContact CG1-CE1 3.73Å; V495-F785 HydrophobicContact CG1-CE2 3.53Å; V495-F785 HydrophobicContact CG1-CG 3.66Å; V495-F785 HydrophobicContact CG1-CZ 3.63Å; V495-F785 WeakPolarHBondContact O-CB 3.46Å
496F93.9Very high87.7Confident0 Ų039.3 Ų39.30%020%0.204CC..THydrogen-bonded Turntrans-91.718.9177.2-61.8-76.4000113.7L492 A493 N494 F498 L612 M639 L642 I646 F785 F788 R789 L793L492-F496 HydrophobicContact CD1-CE2 3.91Å; L492-F496 HydrophobicContact CG-CE2 4.49Å; L492-F496 VanDerWaalsContact O-CD2 3.26Å; L492-F496 WeakPolarHBondContact O-CD2 3.43Å; A493-F496 CarbonylContact O-C 3.55Å; A493-F496 WeakPolarHBondContact O-CA 3.44Å; A493-F496 PolarHBondContact O-N 3.47Å; N494-F496 PolarHBondContact O-N 3.44Å; F496-F498 VanDerWaalsContact C-N 3.3Å; F496-F498 HydrophobicContact CB-CD2 3.73Å; F496-F498 HydrophobicContact CB-CE2 3.78Å; F496-F498 PolarHBondContact O-N 2.85Å; F496-L612 HydrophobicContact CD2-CD1 4.29Å; F496-M639 HydrophobicContact CD1-CE 3.88Å; F496-M639 HydrophobicContact CD1-SD 4.43Å; F496-M639 HydrophobicContact CD2-CE 3.48Å; F496-M639 VanDerWaalsContact CD2-CE 3.48Å; F496-M639 HydrophobicContact CE1-CE 3.74Å; F496-M639 HydrophobicContact CE1-SD 3.87Å; F496-M639 HydrophobicContact CE2-CE 3.34Å; F496-M639 HydrophobicContact CE2-SD 4.23Å; F496-M639 HydrophobicContact CG-CE 3.76Å; F496-M639 HydrophobicContact CZ-CE 3.47Å; F496-M639 VanDerWaalsContact CZ-CE 3.47Å; F496-M639 HydrophobicContact CZ-SD 3.75Å; F496-L642 HydrophobicContact CE1-CD2 3.8Å; F496-L642 HydrophobicContact CZ-CD2 3.95Å; F496-L642 HydrophobicContact CZ-CG 4.23Å; F496-I646 HydrophobicContact CE2-CD1 4Å; F496-I646 HydrophobicContact CZ-CD1 3.7Å; F496-F785 HydrophobicContact CD1-CD1 4Å; F496-F785 AromaticContact CE1-CD1 3.72Å; F496-F785 HydrophobicContact CE1-CD1 3.72Å; F496-F785 HydrophobicContact CE1-CE1 4.08Å; F496-F785 HydrophobicContact CZ-CD1 4.38Å; F496-F785 HydrophobicContact CZ-CE1 4.36Å; F496-F788 HydrophobicContact CD1-CD1 4.12Å; F496-F788 AromaticContact CE1-CD1 3.85Å; F496-F788 HydrophobicContact CE1-CD1 3.85Å; F496-F788 HydrophobicContact CE1-CE1 4.16Å; F496-R789 WeakPolarHBondContact O-CD 3.34Å; F496-R789 WeakPolarHBondContact O-CG 3.39Å; F496-R789 PolarHBondContact O-NE 2.82Å; F496-L793 HydrophobicContact CD1-CD1 4.42Å
497H94.8Very high85.6Confident25 Ų2542.6 Ų42.612%0.11623%0.233CC..THydrogen-bonded Turntrans57.538.3-179.4-61.4-109.5000113.8A493 N494 V495 L527 S782 R789A493-H497 PolarHBondContact O-N 3.4Å; N494-H497 PolarHBondContact O-N 2.87Å; V495-H497 VanDerWaalsContact C-N 3.32Å; V495-H497 PolarHBondContact O-N 3.15Å; H497-L527 HydrophobicContact CB-CB 4.37Å; H497-L527 WeakPolarHBondContact O-CB 3.24Å; H497-L527 PolarHBondContact O-N 3.08Å; H497-S782 PolarHBondContact CE1-OG 3.14Å; H497-S782 PolarHBondContact NE2-O 2.5Å; H497-S782 PolarHBondContact NE2-OG 2.89Å; H497-R789 PolarHBondContact O-NH1 3.29Å
498F95.9Very high83.4Confident1 Ų143.5 Ų43.50%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-113.5149.2167.4-57.8-64.2000110.7A493 N494 F496 V524 E525 L533 L612 R789 L793A493-F498 CarbonylContact C-O 3.53Å; A493-F498 VanDerWaalsContact C-O 3.23Å; A493-F498 HydrophobicContact CB-CB 4.16Å; A493-F498 PolarHBondContact O-N 3.28Å; N494-F498 WeakPolarHBondContact CA-O 3.4Å; N494-F498 PolarHBondContact N-O 3.16Å; N494-F498 PolarHBondContact OD1-O 3Å; F496-F498 VanDerWaalsContact C-N 3.3Å; F496-F498 HydrophobicContact CB-CD2 3.73Å; F496-F498 HydrophobicContact CB-CE2 3.78Å; F496-F498 PolarHBondContact O-N 2.85Å; F498-V524 HydrophobicContact CB-CG1 3.89Å; F498-V524 HydrophobicContact CD1-CG1 4.08Å; F498-V524 HydrophobicContact CG-CG1 4Å; F498-E525 CarbonylContact C-O 3.57Å; F498-E525 VanDerWaalsContact CA-O 3.24Å; F498-E525 WeakPolarHBondContact CA-O 3.39Å; F498-L533 HydrophobicContact CD1-CD1 3.72Å; F498-L533 HydrophobicContact CE1-CD1 3.46Å; F498-L533 VanDerWaalsContact CE1-CD1 3.46Å; F498-L612 HydrophobicContact CD2-CD2 4.16Å; F498-R789 HydrophobicContact CE1-CG 4.2Å; F498-R789 HydrophobicContact CE2-CG 4.11Å; F498-R789 HydrophobicContact CZ-CG 3.59Å; F498-L793 HydrophobicContact CE2-CD1 3.64Å; F498-L793 HydrophobicContact CZ-CD1 3.96Å
499K95.6Very high81.1Confident91 Ų9147.4 Ų47.440%0.39626%0.262SS..EExtended strand (participates in β ladder)trans-109.7134.1170.7172.7176.3164.5-120.80109.1E525 L527K499-E525 HydrophobicContact CB-CB 4.21Å; K499-E525 PolarHBondContact N-O 3.34Å; K499-E525 IonicContact NZ-OE2 2.69Å; K499-E525 PolarHBondContact NZ-OE2 3.2Å; K499-E525 PolarHBondContact O-N 3.11Å; K499-L527 HydrophobicContact CB-CD1 4.09Å
500L94.6Very high78.5Confident14 Ų1454.7 Ų54.77%0.07330%0.296CS..EExtended strand (participates in β ladder)trans-98.5127172.7-56.6-177.8000109.9F489 A493 Y522 H523 V524 F608F489-L500 HydrophobicContact CB-CD1 3.89Å; F489-L500 WeakPolarHBondContact O-CD1 3.42Å; A493-L500 HydrophobicContact CB-CD1 3.96Å; A493-L500 HydrophobicContact CB-CD2 3.91Å; A493-L500 HydrophobicContact CB-CG 3.66Å; L500-Y522 HydrophobicContact CB-CD1 4.25Å; L500-Y522 HydrophobicContact CB-CG 4.48Å; L500-H523 WeakPolarHBondContact CA-O 3.03Å; L500-V524 HydrophobicContact CD2-CB 4.28Å; L500-V524 HydrophobicContact CD2-CG1 4.25Å; L500-V524 HydrophobicContact CD2-CG2 3.68Å; L500-F608 HydrophobicContact CD1-CE2 4.2Å; L500-F608 HydrophobicContact CD1-CZ 3.61Å; L500-F608 HydrophobicContact CD2-CZ 4.16Å; L500-F608 HydrophobicContact CG-CZ 4.47Å
501T90.8Very high76.1Confident37 Ų3762.4 Ų62.423%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-115.4116.8174.5-570000109.1H523 E525T501-H523 PolarHBondContact N-O 3.29Å; T501-H523 PolarHBondContact O-N 3.01Å; T501-E525 VanDerWaalsContact CB-OE1 3.29Å; T501-E525 WeakPolarHBondContact CB-OE1 3.37Å; T501-E525 PolarHBondContact OG1-OE1 3.32Å; T501-E525 PolarHBondContact OG1-OE2 2.85Å
502S86.7Confident73.5Confident44 Ų4468.3 Ų68.331%0.30836%0.362SS..EExtended strand (participates in β ladder)trans-71.6133.1176.8-169.90000110.9V521S502-V521 WeakPolarHBondContact CA-O 3.15Å
503Q78.9Confident70.7Confident84 Ų8474 Ų7439%0.39339%0.389SS..SBendtrans-91.7-12.7-176.8-68.2-56.5-63.500114.5P505 V521 H523Q503-P505 WeakPolarHBondContact O-CD 3.3Å; Q503-V521 HydrophobicContact CB-CB 4.38Å; Q503-V521 HydrophobicContact CB-CG1 4.08Å; Q503-V521 HydrophobicContact CG-CG1 4.3Å; Q503-V521 PolarHBondContact N-O 2.87Å; Q503-H523 PolarHBondContact NE2-ND1 2.97Å; Q503-H523 VanDerWaalsContact NE2-ND1 3.12Å; Q503-H523 PolarHBondContact OE1-CE1 3.43Å
504I66.9Low67.6Low54 Ų5478.3 Ų78.328%0.27742%0.418SS..SBendtrans-106.5107.1179.8-58.4174.8000107.5R506 V516 V521I504-R506 PolarHBondContact O-N 3.41Å; I504-R506 VanDerWaalsContact O-N 3.17Å; I504-V516 HydrophobicContact CD1-CG1 4.3Å; I504-V521 HydrophobicContact CD1-CB 4.38Å; I504-V521 HydrophobicContact CD1-CG2 3.83Å; I504-V521 HydrophobicContact CG1-CG2 4.45Å
505P51.7Low65Low81 Ų8184.8 Ų84.853%0.52644%0.438SS..  trans-61119.6171.8-15.328.3000108.2Q503 S507 S508Q503-P505 WeakPolarHBondContact O-CD 3.3Å; P505-S507 PolarHBondContact O-N 2.7Å; P505-S508 PolarHBondContact O-N 3.03Å; P505-S508 PolarHBondContact O-OG 3.5Å
506R53.7Low62.5Low113 Ų11386.5 Ų86.543%0.42645%0.448SS..G310 helixtrans-65.1-12.9-178-69.6-178.5177.4151.6-3.4113.6N483 I504 S508 I509N483-R506 PolarHBondContact OD1-NE 2.92Å; N483-R506 PolarHBondContact OD1-NH1 3.46Å; N483-R506 PolarHBondContact OD1-NH2 2.98Å; I504-R506 PolarHBondContact O-N 3.41Å; I504-R506 VanDerWaalsContact O-N 3.17Å; R506-S508 VanDerWaalsContact C-N 3.34Å; R506-I509 WeakPolarHBondContact O-CD1 3.4Å
507S47.6Very low59.9Low117 Ų11789.7 Ų89.782%0.81847%0.468SS*.G310 helixtrans-78.8-10.3179.656.60000114.8P505P505-S507 PolarHBondContact O-N 2.7Å
508S46.6Very low58.2Low81 Ų8189.9 Ų89.957%0.56647%0.469SS*.G310 helixtrans-105.124.7-175.944.20000113.9P505 R506 E510P505-S508 PolarHBondContact O-N 3.03Å; P505-S508 PolarHBondContact O-OG 3.5Å; R506-S508 VanDerWaalsContact C-N 3.34Å; S508-E510 PolarHBondContact O-N 3.09Å
509I44.3Very low56.9Low82 Ų8292.3 Ų92.342%0.42148%0.479SS..  trans-88.5103.3-178.6-57.7171.5000108.8R506 V517R506-I509 WeakPolarHBondContact O-CD1 3.4Å; I509-V517 HydrophobicContact CG2-CG1 4.45Å; I509-V517 HydrophobicContact CG2-CG2 3.57Å
510E40.1Very low56.2Low152 Ų15288.2 Ų88.271%0.7146%0.462SS*.  trans-74.5136.2163.2-68.6-173.9173.400109.2S508 D512 E513S508-E510 PolarHBondContact O-N 3.09Å; E510-D512 PolarHBondContact O-N 3.18Å; E510-E513 PolarHBondContact O-N 2.87Å
511E45.2Very low55.8Low185 Ų18588.5 Ų88.586%0.86446%0.464SS*.THydrogen-bonded Turntrans-57.4-24-173.3-73.1-179.3154.400113.9
512D39.7Very low55.9Low163 Ų16386.8 Ų86.887%0.87245%0.453SS*.THydrogen-bonded Turntrans-86.4-8.3-176.9-88.7-24.5000114.7E510 C514E510-D512 PolarHBondContact O-N 3.18Å; D512-C514 VanDerWaalsContact C-N 3.33Å; D512-C514 PolarHBondContact O-N 3.13Å
513E35.7Very low56.2Low122 Ų12285.9 Ų85.957%0.5744%0.444SS*.  trans-95.148172.6-68.9-157.7161.300112.5E510 Y515 V516E510-E513 PolarHBondContact O-N 2.87Å; E513-Y515 PolarHBondContact O-N 2.77Å; E513-V516 HydrophobicContact CB-CG2 4.44Å; E513-V516 PolarHBondContact O-N 2.89Å
514C31.2Very low56.9Low90 Ų9081.9 Ų81.961%0.60843%0.426SS*.THydrogen-bonded Turntrans-54.1-12.4177.9-92.50000115.2D512D512-C514 VanDerWaalsContact C-N 3.33Å; D512-C514 PolarHBondContact O-N 3.13Å
515Y38.3Very low58.2Low214 Ų21480.5 Ų80.584%0.83942%0.418SS*.THydrogen-bonded Turntrans-77.8-16.2174.5-74.5-81.3000114.6E513E513-Y515 PolarHBondContact O-N 2.77Å
516V40.3Very low60.2Low66 Ų6677.7 Ų77.740%0.440%0.398SS..THydrogen-bonded Turntrans-99.4-22.1-176.8-174.40000111.8I504 E513 E518I504-V516 HydrophobicContact CD1-CG1 4.3Å; E513-V516 HydrophobicContact CB-CG2 4.44Å; E513-V516 PolarHBondContact O-N 2.89Å; V516-E518 VanDerWaalsContact C-N 3.25Å; V516-E518 PolarHBondContact O-N 3.36Å; V516-E518 VanDerWaalsContact O-N 3.09Å
517V39.8Very low61.9Low68 Ų6876.4 Ų76.441%0.41240%0.4SS..THydrogen-bonded Turntrans-69.8-11-167-170.80000114.9I509I509-V517 HydrophobicContact CG2-CG1 4.45Å; I509-V517 HydrophobicContact CG2-CG2 3.57Å
518E58.2Low63.8Low29 Ų2975.7 Ų75.714%0.13639%0.39CS..THydrogen-bonded Turntrans-113.14-173.2-73.1175.5-150.300115.5V516 F541 R543 Q589V516-E518 VanDerWaalsContact C-N 3.25Å; V516-E518 PolarHBondContact O-N 3.36Å; V516-E518 VanDerWaalsContact O-N 3.09Å; E518-F541 HydrophobicContact CB-CD2 4Å; E518-F541 HydrophobicContact CB-CE2 4.24Å; E518-F541 HydrophobicContact CG-CD2 4.08Å; E518-F541 HydrophobicContact CG-CE2 4.15Å; E518-F541 WeakPolarHBondContact OE2-CD2 3.15Å; E518-R543 IonicContact OE1-NH1 2.71Å; E518-R543 IonicContact OE2-CZ 3.92Å; E518-R543 IonicContact OE2-NH1 2.71Å; E518-R543 PolarHBondContact OE2-NH1 3.46Å; E518-R543 IonicContact OE2-NH2 3.19Å; E518-R543 PolarHBondContact OE2-NH2 2.77Å; E518-Q589 VanDerWaalsContact CD-NE2 3.34Å; E518-Q589 VanDerWaalsContact OE1-CD 3.26Å; E518-Q589 PolarHBondContact OE1-NE2 2.93Å; E518-Q589 PolarHBondContact OE1-OE1 3.18Å; E518-Q589 PolarHBondContact OE2-OE1 3.41Å
519K69.9Low65.9Low51 Ų5175.1 Ų75.122%0.22239%0.386CS..  trans-104.4120.3-176.7-64.7174.3-168.2162.10111I57 V521 I538I57-K519 HydrophobicContact CD1-CD 4.13Å; I57-K519 VanDerWaalsContact CD1-NZ 3.33Å; K519-V521 PolarHBondContact O-N 2.99Å; K519-I538 WeakPolarHBondContact CA-O 3.3Å
520L79.7Confident68.1Low5 Ų573.5 Ų73.53%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-85.1113.4166.5-63.5162.9000108.3V482 L485 Y522 I537 I538V482-L520 HydrophobicContact CG1-CD1 3.92Å; V482-L520 HydrophobicContact CG1-CD2 3.33Å; V482-L520 HydrophobicContact CG1-CG 3.63Å; L485-L520 HydrophobicContact CB-CD1 4.46Å; L520-Y522 HydrophobicContact CB-CD2 4.36Å; L520-Y522 HydrophobicContact CB-CE2 3.63Å; L520-Y522 HydrophobicContact CD1-CE2 4.22Å; L520-Y522 WeakPolarHBondContact CD1-OH 3.48Å; L520-Y522 WeakPolarHBondContact CD2-OH 3.38Å; L520-Y522 HydrophobicContact CG-CE2 4.39Å; L520-I537 CarbonylContact O-C 3.43Å; L520-I537 WeakPolarHBondContact O-CA 2.85Å; L520-I538 HydrophobicContact CB-CB 4.11Å; L520-I538 HydrophobicContact CB-CG1 4.46Å; L520-I538 PolarHBondContact N-O 2.93Å; L520-I538 PolarHBondContact O-N 2.9Å
521V87.5Confident70.6Confident21 Ų2169.8 Ų69.813%0.12738%0.378CS..EExtended strand (participates in β ladder)trans-105.4117.6173.1-175.40000108.5S502 Q503 I504 K519 E535 I537S502-V521 WeakPolarHBondContact CA-O 3.15Å; Q503-V521 HydrophobicContact CB-CB 4.38Å; Q503-V521 HydrophobicContact CB-CG1 4.08Å; Q503-V521 HydrophobicContact CG-CG1 4.3Å; Q503-V521 PolarHBondContact N-O 2.87Å; I504-V521 HydrophobicContact CD1-CB 4.38Å; I504-V521 HydrophobicContact CD1-CG2 3.83Å; I504-V521 HydrophobicContact CG1-CG2 4.45Å; K519-V521 PolarHBondContact O-N 2.99Å; V521-E535 HydrophobicContact CG1-CG 3.93Å; V521-I537 HydrophobicContact CG1-CG1 4.3Å; V521-I537 HydrophobicContact CG2-CG1 4.35Å; V521-I537 HydrophobicContact CG2-CG2 4.35Å
522Y91Very high72.8Confident0 Ų063.5 Ų63.50%035%0.352CS..EExtended strand (participates in β ladder)trans-116.4130.1179.6-62.2-56.9000111.2H486 F489 L500 L520 E535 I536 I538H486-Y522 VanDerWaalsContact CA-OH 3.24Å; H486-Y522 WeakPolarHBondContact CA-OH 2.8Å; H486-Y522 WeakPolarHBondContact CB-OH 3.27Å; H486-Y522 AromaticContact CE1-CE1 3.75Å; H486-Y522 AromaticContact ND1-CE1 3.15Å; H486-Y522 WeakPolarHBondContact ND1-CE1 3.37Å; H486-Y522 AromaticContact ND1-CZ 3.42Å; H486-Y522 PolarHBondContact ND1-OH 3.31Å; F489-Y522 HydrophobicContact CD2-CE2 4.39Å; L500-Y522 HydrophobicContact CB-CD1 4.25Å; L500-Y522 HydrophobicContact CB-CG 4.48Å; L520-Y522 HydrophobicContact CB-CD2 4.36Å; L520-Y522 HydrophobicContact CB-CE2 3.63Å; L520-Y522 HydrophobicContact CD1-CE2 4.22Å; L520-Y522 WeakPolarHBondContact CD1-OH 3.48Å; L520-Y522 WeakPolarHBondContact CD2-OH 3.38Å; L520-Y522 HydrophobicContact CG-CE2 4.39Å; Y522-E535 CarbonylContact O-C 3.52Å; Y522-E535 WeakPolarHBondContact O-CA 3.38Å; Y522-I536 PolarHBondContact N-O 3.03Å; Y522-I536 PolarHBondContact O-N 3.16Å; Y522-I538 HydrophobicContact CD2-CD1 4.08Å; Y522-I538 HydrophobicContact CE2-CD1 3.72Å; Y522-I538 HydrophobicContact CE2-CG1 4.42Å
523H92.9Very high75.2Confident26 Ų2656 Ų5612%0.1231%0.312CS..EExtended strand (participates in β ladder)trans-80.1131.4151.7-74.5172.3000109.1L500 T501 Q503 V532 E535 Y578L500-H523 WeakPolarHBondContact CA-O 3.03Å; T501-H523 PolarHBondContact N-O 3.29Å; T501-H523 PolarHBondContact O-N 3.01Å; Q503-H523 PolarHBondContact NE2-ND1 2.97Å; Q503-H523 VanDerWaalsContact NE2-ND1 3.12Å; Q503-H523 PolarHBondContact OE1-CE1 3.43Å; H523-V532 HydrophobicContact CB-CG1 4.05Å; H523-E535 IonicContact CD2-OE2 3.77Å; H523-E535 IonicContact NE2-OE2 2.92Å; H523-E535 PolarHBondContact NE2-OE2 3.46Å; H523-Y578 AromaticContact NE2-CZ 3.93Å; H523-Y578 PolarHBondContact NE2-OH 2.96Å
524V94.3Very high77.9Confident0 Ų050.2 Ų50.20%029%0.285CS..EExtended strand (participates in β ladder)trans-94.6117.5170.9-174.40000107.8F498 L500 L533 G534 I536 L612 V615F498-V524 HydrophobicContact CB-CG1 3.89Å; F498-V524 HydrophobicContact CD1-CG1 4.08Å; F498-V524 HydrophobicContact CG-CG1 4Å; L500-V524 HydrophobicContact CD2-CB 4.28Å; L500-V524 HydrophobicContact CD2-CG1 4.25Å; L500-V524 HydrophobicContact CD2-CG2 3.68Å; V524-L533 WeakPolarHBondContact O-CA 3.17Å; V524-L533 WeakPolarHBondContact O-CB 3.47Å; V524-L533 WeakPolarHBondContact O-CG 3.36Å; V524-L533 PolarHBondContact O-N 3.06Å; V524-G534 PolarHBondContact N-O 3.22Å; V524-I536 HydrophobicContact CG2-CD1 3.61Å; V524-I536 HydrophobicContact CG2-CG1 3.9Å; V524-L612 HydrophobicContact CG1-CD2 4.12Å; V524-L612 HydrophobicContact CG2-CD2 4.45Å; V524-V615 HydrophobicContact CB-CG2 3.89Å; V524-V615 HydrophobicContact CG1-CG2 4.15Å; V524-V615 HydrophobicContact CG2-CG2 3.63Å
525E95Very high80.8Confident25 Ų2547.4 Ų47.412%0.11726%0.263CS..EExtended strand (participates in β ladder)trans-106.9147.2179.6-70164.8-155.900110.6F498 K499 T501 L527 T531 V532F498-E525 CarbonylContact C-O 3.57Å; F498-E525 VanDerWaalsContact CA-O 3.24Å; F498-E525 WeakPolarHBondContact CA-O 3.39Å; K499-E525 HydrophobicContact CB-CB 4.21Å; K499-E525 PolarHBondContact N-O 3.34Å; K499-E525 IonicContact NZ-OE2 2.69Å; K499-E525 PolarHBondContact NZ-OE2 3.2Å; K499-E525 PolarHBondContact O-N 3.11Å; T501-E525 VanDerWaalsContact CB-OE1 3.29Å; T501-E525 WeakPolarHBondContact CB-OE1 3.37Å; T501-E525 PolarHBondContact OG1-OE1 3.32Å; T501-E525 PolarHBondContact OG1-OE2 2.85Å; E525-L527 PolarHBondContact O-N 3.43Å; E525-T531 CarbonylContact C-O 3.51Å; E525-T531 WeakPolarHBondContact CA-O 3.49Å; E525-V532 HydrophobicContact CG-CG2 3.94Å
526D92.6Very high83.4Confident21 Ų2137.2 Ų37.211%0.11222%0.223CC..EExtended strand (participates in β ladder)trans-68.1122.7165-173.4-34.4000109.5T528 S529 G530 T531 L533 R618 R789D526-T528 PolarHBondContact O-N 3.45Å; D526-T528 WeakPolarHBondContact OD1-CA 3.5Å; D526-T528 WeakPolarHBondContact OD1-CB 3.38Å; D526-T528 PolarHBondContact OD1-N 3.3Å; D526-S529 VanDerWaalsContact CB-OG 3.25Å; D526-S529 WeakPolarHBondContact CB-OG 3.18Å; D526-S529 VanDerWaalsContact CG-OG 3.29Å; D526-S529 PolarHBondContact OD1-N 2.97Å; D526-S529 PolarHBondContact OD2-OG 3.49Å; D526-G530 VanDerWaalsContact O-CA 3.29Å; D526-G530 WeakPolarHBondContact O-CA 3.42Å; D526-G530 PolarHBondContact O-N 3Å; D526-T531 PolarHBondContact N-O 2.84Å; D526-L533 HydrophobicContact CB-CD1 4.34Å; D526-L533 HydrophobicContact CB-CD2 4.01Å; D526-R618 IonicContact OD2-NH2 3.5Å; D526-R789 IonicContact OD1-CZ 2.82Å; D526-R789 IonicContact OD1-NH1 3.78Å; D526-R789 PolarHBondContact OD1-NH1 3.31Å; D526-R789 IonicContact OD1-NH2 3.81Å; D526-R789 PolarHBondContact OD1-NH2 3.03Å; D526-R789 IonicContact OD2-CZ 3.38Å; D526-R789 IonicContact OD2-NH1 3.44Å; D526-R789 IonicContact OD2-NH2 2.79Å; D526-R789 PolarHBondContact OD2-NH2 3.39Å
527L90.6Very high85.8Confident87 Ų8734.7 Ų34.746%0.45521%0.207SC..THydrogen-bonded Turntrans-62.8-29-179-172.665.6000112.8H497 K499 E525H497-L527 HydrophobicContact CB-CB 4.37Å; H497-L527 WeakPolarHBondContact O-CB 3.24Å; H497-L527 PolarHBondContact O-N 3.08Å; K499-L527 HydrophobicContact CB-CD1 4.09Å; E525-L527 PolarHBondContact O-N 3.43Å
528T87.9Confident88.2Confident101 Ų10131.5 Ų31.562%0.6219%0.187SC*.THydrogen-bonded Turntrans-83.9-43.8-178.2-540000112.3D526D526-T528 PolarHBondContact O-N 3.45Å; D526-T528 WeakPolarHBondContact OD1-CA 3.5Å; D526-T528 WeakPolarHBondContact OD1-CB 3.38Å; D526-T528 PolarHBondContact OD1-N 3.3Å
529S90.4Very high89.7Confident69 Ų6930.2 Ų30.248%0.48318%0.182SC..THydrogen-bonded Turntrans-99.6-14.1-17566.40000114.6D526 T531D526-S529 VanDerWaalsContact CB-OG 3.25Å; D526-S529 WeakPolarHBondContact CB-OG 3.18Å; D526-S529 VanDerWaalsContact CG-OG 3.29Å; D526-S529 PolarHBondContact OD1-N 2.97Å; D526-S529 PolarHBondContact OD2-OG 3.49Å; S529-T531 PolarHBondContact O-N 3.47Å; S529-T531 VanDerWaalsContact O-N 3.15Å; S529-T531 WeakPolarHBondContact OG-CB 3.49Å; S529-T531 PolarHBondContact OG-N 2.84Å; S529-T531 PolarHBondContact OG-OG1 2.92Å
530G90.7Very high90.7Very high48 Ų4827.8 Ų27.850%0.49517%0.171SC..  trans68.12.6-17300000114.3D526D526-G530 VanDerWaalsContact O-CA 3.29Å; D526-G530 WeakPolarHBondContact O-CA 3.42Å; D526-G530 PolarHBondContact O-N 3Å
531T90.9Very high91.1Very high75 Ų7527.6 Ų27.646%0.4617%0.17SC..  trans-65.1139.7179.1-52.20000109.3E525 D526 S529 L533E525-T531 CarbonylContact C-O 3.51Å; E525-T531 WeakPolarHBondContact CA-O 3.49Å; D526-T531 PolarHBondContact N-O 2.84Å; S529-T531 PolarHBondContact O-N 3.47Å; S529-T531 VanDerWaalsContact O-N 3.15Å; S529-T531 WeakPolarHBondContact OG-CB 3.49Å; S529-T531 PolarHBondContact OG-N 2.84Å; S529-T531 PolarHBondContact OG-OG1 2.92Å; T531-L533 HydrophobicContact CG2-CD2 4.27Å; T531-L533 WeakPolarHBondContact O-CD2 3.49Å
532V91.6Very high91.1Very high53 Ų5328.8 Ų28.832%0.32118%0.182SC..EExtended strand (participates in β ladder)trans-79.3128.8170.4179.20000109.7H523 E525 Y578H523-V532 HydrophobicContact CB-CG1 4.05Å; E525-V532 HydrophobicContact CG-CG2 3.94Å; V532-Y578 HydrophobicContact CG1-CD1 4.49Å
533L91.1Very high90.7Very high5 Ų532.1 Ų32.13%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-101.9-39.1-170.2-47.2-158.4000111.4F498 V524 D526 T531 P579 V615 R618F498-L533 HydrophobicContact CD1-CD1 3.72Å; F498-L533 HydrophobicContact CE1-CD1 3.46Å; F498-L533 VanDerWaalsContact CE1-CD1 3.46Å; V524-L533 WeakPolarHBondContact O-CA 3.17Å; V524-L533 WeakPolarHBondContact O-CB 3.47Å; V524-L533 WeakPolarHBondContact O-CG 3.36Å; V524-L533 PolarHBondContact O-N 3.06Å; D526-L533 HydrophobicContact CB-CD1 4.34Å; D526-L533 HydrophobicContact CB-CD2 4.01Å; T531-L533 HydrophobicContact CG2-CD2 4.27Å; T531-L533 WeakPolarHBondContact O-CD2 3.49Å; L533-P579 WeakPolarHBondContact O-CD 3.42Å; L533-V615 CarbonylContact C-O 3.53Å; L533-R618 VanDerWaalsContact CD2-NH1 3.35Å
534G91.6Very high90Very high0 Ų036.9 Ų36.90%023%0.231CC..EExtended strand (participates in β ladder)trans177.7-175.2178.200000111.8V524 P579V524-G534 PolarHBondContact N-O 3.22Å; G534-P579 CarbonylContact C-O 3.46Å; G534-P579 WeakPolarHBondContact CA-O 3.47Å
535E92Very high89.2Confident32 Ų3240.4 Ų40.415%0.1525%0.25CC..EExtended strand (participates in β ladder)trans-123.5134.6-174.2-173.7-177.5106.700110.9V521 Y522 H523 I537 Y578 P579 V580 A581V521-E535 HydrophobicContact CG1-CG 3.93Å; Y522-E535 CarbonylContact O-C 3.52Å; Y522-E535 WeakPolarHBondContact O-CA 3.38Å; H523-E535 IonicContact CD2-OE2 3.77Å; H523-E535 IonicContact NE2-OE2 2.92Å; H523-E535 PolarHBondContact NE2-OE2 3.46Å; E535-I537 HydrophobicContact CG-CG1 4.31Å; E535-I537 WeakPolarHBondContact OE1-CD1 3.38Å; E535-Y578 HydrophobicContact CB-CD2 4.15Å; E535-Y578 HydrophobicContact CB-CE2 3.63Å; E535-Y578 PolarHBondContact OE2-OH 3.35Å; E535-P579 PolarHBondContact N-O 3.27Å; E535-V580 HydrophobicContact CB-CG1 4.41Å; E535-V580 HydrophobicContact CB-CG2 4.27Å; E535-V580 WeakPolarHBondContact O-CA 3.16Å; E535-A581 PolarHBondContact O-N 3.19Å
536I92.7Very high88.6Confident0 Ų040 Ų400%025%0.248CC..EExtended strand (participates in β ladder)trans-117.2121.9174.3-58.8174.8000107.9Y522 V524 I538 A581 I583 F608 C611 L612 V615Y522-I536 PolarHBondContact N-O 3.03Å; Y522-I536 PolarHBondContact O-N 3.16Å; V524-I536 HydrophobicContact CG2-CD1 3.61Å; V524-I536 HydrophobicContact CG2-CG1 3.9Å; I536-I538 HydrophobicContact CG2-CD1 4.34Å; I536-I538 HydrophobicContact CG2-CG1 3.89Å; I536-A581 WeakPolarHBondContact CA-O 3.36Å; I536-I583 HydrophobicContact CG2-CD1 4.39Å; I536-I583 HydrophobicContact CG2-CG1 4.35Å; I536-F608 HydrophobicContact CD1-CD2 4.35Å; I536-F608 HydrophobicContact CD1-CE2 3.77Å; I536-F608 HydrophobicContact CD1-CZ 4.37Å; I536-C611 HydrophobicContact CD1-CB 3.59Å; I536-C611 HydrophobicContact CG1-CB 3.96Å; I536-C611 HydrophobicContact CG2-CB 4.08Å; I536-L612 HydrophobicContact CD1-CD2 4.25Å; I536-V615 HydrophobicContact CD1-CG2 4.01Å; I536-V615 HydrophobicContact CG1-CG1 3.86Å; I536-V615 HydrophobicContact CG1-CG2 4.15Å
537I90.9Very high87.9Confident13 Ų1341 Ų417%0.06726%0.256CS..EExtended strand (participates in β ladder)trans-107.6123.3175.4-56.7165.2000108.5L520 V521 E535 V580 A581 Y582 I583L520-I537 CarbonylContact O-C 3.43Å; L520-I537 WeakPolarHBondContact O-CA 2.85Å; V521-I537 HydrophobicContact CG1-CG1 4.3Å; V521-I537 HydrophobicContact CG2-CG1 4.35Å; V521-I537 HydrophobicContact CG2-CG2 4.35Å; E535-I537 HydrophobicContact CG-CG1 4.31Å; E535-I537 WeakPolarHBondContact OE1-CD1 3.38Å; I537-V580 HydrophobicContact CD1-CG1 4.07Å; I537-A581 PolarHBondContact N-O 2.9Å; I537-Y582 HydrophobicContact CB-CD1 3.67Å; I537-Y582 HydrophobicContact CB-CE1 3.69Å; I537-Y582 HydrophobicContact CB-CG 4.14Å; I537-Y582 HydrophobicContact CD1-CD1 4.45Å; I537-Y582 HydrophobicContact CD1-CD2 4.39Å; I537-Y582 HydrophobicContact CD1-CE1 3.77Å; I537-Y582 HydrophobicContact CD1-CE2 3.69Å; I537-Y582 WeakPolarHBondContact CD1-OH 3.49Å; I537-Y582 HydrophobicContact CG1-CE1 4.35Å; I537-Y582 HydrophobicContact CG2-CD1 3.63Å; I537-Y582 HydrophobicContact CG2-CE1 3.41Å; I537-Y582 VanDerWaalsContact CG2-CE1 3.41Å; I537-Y582 CarbonylContact O-C 3.23Å; I537-Y582 WeakPolarHBondContact O-CA 3.5Å; I537-I583 PolarHBondContact O-N 2.83Å
538I91.4Very high87.6Confident0 Ų038.9 Ų38.90%025%0.246CC..EExtended strand (participates in β ladder)trans-114.9122.1-178.1-47.7-176.6000108.7F489 K519 L520 Y522 I536 P540 I583 F608F489-I538 HydrophobicContact CD2-CD1 3.61Å; F489-I538 HydrophobicContact CE2-CD1 3.37Å; F489-I538 HydrophobicContact CZ-CD1 4.3Å; K519-I538 WeakPolarHBondContact CA-O 3.3Å; L520-I538 HydrophobicContact CB-CB 4.11Å; L520-I538 HydrophobicContact CB-CG1 4.46Å; L520-I538 PolarHBondContact N-O 2.93Å; L520-I538 PolarHBondContact O-N 2.9Å; Y522-I538 HydrophobicContact CD2-CD1 4.08Å; Y522-I538 HydrophobicContact CE2-CD1 3.72Å; Y522-I538 HydrophobicContact CE2-CG1 4.42Å; I536-I538 HydrophobicContact CG2-CD1 4.34Å; I536-I538 HydrophobicContact CG2-CG1 3.89Å; I538-P540 HydrophobicContact CG2-CB 4.48Å; I538-I583 WeakPolarHBondContact CA-O 3.42Å; I538-I583 HydrophobicContact CB-CB 4.29Å; I538-I583 HydrophobicContact CD1-CD1 3.95Å; I538-I583 HydrophobicContact CG1-CB 4.15Å; I538-I583 HydrophobicContact CG1-CD1 4.03Å; I538-I583 HydrophobicContact CG1-CG1 4.22Å; I538-I583 HydrophobicContact CG2-CB 3.95Å; I538-I583 HydrophobicContact CG2-CG2 4.12Å; I538-F608 HydrophobicContact CD1-CD2 4.32Å
539D89.4Confident87.4Confident3 Ų334.2 Ų34.22%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-124.288.1169.2175.817.6000108.1F541 R543 R546 I583 L584 G585D539-F541 VanDerWaalsContact C-N 3.27Å; D539-F541 PolarHBondContact O-N 3.31Å; D539-R543 IonicContact OD1-CZ 3Å; D539-R543 IonicContact OD1-NE 3.04Å; D539-R543 PolarHBondContact OD1-NE 3.2Å; D539-R543 IonicContact OD1-NH2 2.99Å; D539-R543 PolarHBondContact OD1-NH2 3.28Å; D539-R543 IonicContact OD2-CZ 3.63Å; D539-R543 IonicContact OD2-NE 2.7Å; D539-R543 PolarHBondContact OD2-NE 3.42Å; D539-R543 VanDerWaalsContact OD2-NE 3.15Å; D539-R543 IonicContact OD2-NH2 3.59Å; D539-R546 PolarHBondContact O-NH2 3.41Å; D539-R546 IonicContact OD2-CZ 3.44Å; D539-R546 IonicContact OD2-NH1 3.52Å; D539-R546 PolarHBondContact OD2-NH1 3.23Å; D539-R546 IonicContact OD2-NH2 3.86Å; D539-R546 PolarHBondContact OD2-NH2 3.45Å; D539-I583 PolarHBondContact N-O 3.39Å; D539-L584 HydrophobicContact CB-CD2 4.25Å; D539-L584 CarbonylContact O-C 3.47Å; D539-L584 WeakPolarHBondContact O-CA 3.43Å; D539-G585 PolarHBondContact O-N 3.21Å
540P89.6Confident86.8Confident0 Ų033.9 Ų33.90%021%0.213CC..EExtended strand (participates in β ladder)trans-78.5-9.6-171.733.9-34.2000113I538 G585 S586 L587 L604I538-P540 HydrophobicContact CG2-CB 4.48Å; P540-G585 CarbonylContact O-C 3.38Å; P540-G585 VanDerWaalsContact O-CA 3.24Å; P540-G585 WeakPolarHBondContact O-CA 3.43Å; P540-S586 PolarHBondContact O-N 3.11Å; P540-L587 HydrophobicContact CB-CD1 4.02Å; P540-L587 WeakPolarHBondContact O-CB 3.47Å; P540-L587 VanDerWaalsContact O-CG 3.26Å; P540-L587 WeakPolarHBondContact O-CG 3.37Å; P540-L587 PolarHBondContact O-N 3.04Å; P540-L604 HydrophobicContact CB-CD2 4.46Å
541F89.9Confident86.4Confident0 Ų032 Ų320%019%0.193CC..EExtended strand (participates in β ladder)trans-93.2154.8-172.3-59.7-73.2000113.7V482 E518 D539 R546 L587 E592V482-F541 HydrophobicContact CG2-CE2 3.86Å; V482-F541 HydrophobicContact CG2-CZ 4.11Å; E518-F541 HydrophobicContact CB-CD2 4Å; E518-F541 HydrophobicContact CB-CE2 4.24Å; E518-F541 HydrophobicContact CG-CD2 4.08Å; E518-F541 HydrophobicContact CG-CE2 4.15Å; E518-F541 WeakPolarHBondContact OE2-CD2 3.15Å; D539-F541 VanDerWaalsContact C-N 3.27Å; D539-F541 PolarHBondContact O-N 3.31Å; F541-R546 PolarHBondContact O-NH2 3.43Å; F541-L587 CarbonylContact C-O 3.21Å; F541-L587 WeakPolarHBondContact CA-O 3.46Å; F541-L587 HydrophobicContact CD1-CB 3.97Å; F541-L587 HydrophobicContact CE1-CB 4.37Å; F541-E592 HydrophobicContact CE1-CB 4.07Å; F541-E592 HydrophobicContact CZ-CB 3.93Å; F541-E592 HydrophobicContact CZ-CG 4.43Å; F541-E592 VanDerWaalsContact CZ-OE2 3.31Å; F541-E592 WeakPolarHBondContact CZ-OE2 3.5Å
542A86.1Confident86.1Confident47 Ų4728.4 Ų28.439%0.38817%0.171SC..  trans-66.4140.4175.100000111.8L587A542-L587 PolarHBondContact N-O 3.13Å
543R83.7Confident85.9Confident69 Ų6926.5 Ų26.526%0.2616%0.159SC..  trans-127.7139.4176.5-54.7-65.3-178.8-156.1-2.1110.5E518 D539 N545 R546E518-R543 IonicContact OE1-NH1 2.71Å; E518-R543 IonicContact OE2-CZ 3.92Å; E518-R543 IonicContact OE2-NH1 2.71Å; E518-R543 PolarHBondContact OE2-NH1 3.46Å; E518-R543 IonicContact OE2-NH2 3.19Å; E518-R543 PolarHBondContact OE2-NH2 2.77Å; D539-R543 IonicContact OD1-CZ 3Å; D539-R543 IonicContact OD1-NE 3.04Å; D539-R543 PolarHBondContact OD1-NE 3.2Å; D539-R543 IonicContact OD1-NH2 2.99Å; D539-R543 PolarHBondContact OD1-NH2 3.28Å; D539-R543 IonicContact OD2-CZ 3.63Å; D539-R543 IonicContact OD2-NE 2.7Å; D539-R543 PolarHBondContact OD2-NE 3.42Å; D539-R543 VanDerWaalsContact OD2-NE 3.15Å; D539-R543 IonicContact OD2-NH2 3.59Å; R543-N545 VanDerWaalsContact C-N 3.26Å; R543-N545 VanDerWaalsContact CB-OD1 3.31Å; R543-N545 WeakPolarHBondContact CB-OD1 3.45Å; R543-N545 PolarHBondContact O-N 2.98Å; R543-R546 HydrophobicContact CB-CB 4.08Å; R543-R546 PolarHBondContact O-N 2.87Å; R543-R546 VanDerWaalsContact O-N 3.14Å; R543-R546 VanDerWaalsContact O-O 3.12Å
544S78.5Confident85.7Confident127 Ų12727.4 Ų27.489%0.88816%0.164SC*.THydrogen-bonded Turntrans-63.6-29.9-178.456.90000113.7R546S544-R546 VanDerWaalsContact C-N 3.35Å
545N76.7Confident85.6Confident73 Ų7329.4 Ų29.439%0.3917%0.173SC..THydrogen-bonded Turntrans-85-4.2178.766.2-11.8000113.7K127 N128 R543K127-N545 CarbonylContact C-O 3.57Å; K127-N545 WeakPolarHBondContact CA-O 3.29Å; N128-N545 WeakPolarHBondContact CB-O 3.25Å; N128-N545 PolarHBondContact N-O 3.05Å; R543-N545 VanDerWaalsContact C-N 3.26Å; R543-N545 VanDerWaalsContact CB-OD1 3.31Å; R543-N545 WeakPolarHBondContact CB-OD1 3.45Å; R543-N545 PolarHBondContact O-N 2.98Å
546R82.1Confident85.3Confident18 Ų1828 Ų287%0.06817%0.166CC..SBendtrans-116.1137.8-175.9175.9162.776.4-133.58.4111T125 D539 F541 R543 S544 G585T125-R546 VanDerWaalsContact O-CG 3.31Å; T125-R546 WeakPolarHBondContact O-CG 3.45Å; D539-R546 PolarHBondContact O-NH2 3.41Å; D539-R546 IonicContact OD2-CZ 3.44Å; D539-R546 IonicContact OD2-NH1 3.52Å; D539-R546 PolarHBondContact OD2-NH1 3.23Å; D539-R546 IonicContact OD2-NH2 3.86Å; D539-R546 PolarHBondContact OD2-NH2 3.45Å; F541-R546 PolarHBondContact O-NH2 3.43Å; R543-R546 HydrophobicContact CB-CB 4.08Å; R543-R546 PolarHBondContact O-N 2.87Å; R543-R546 VanDerWaalsContact O-N 3.14Å; R543-R546 VanDerWaalsContact O-O 3.12Å; S544-R546 VanDerWaalsContact C-N 3.35Å; R546-G585 PolarHBondContact NH2-O 3.28Å
547S79Confident84.9Confident41 Ų4129.2 Ų29.229%0.28718%0.175SC..PPolyproline II helixtrans-73.4139.1172-60.30000111N128 P549N128-S547 PolarHBondContact OD1-OG 3.08Å; S547-P549 WeakPolarHBondContact O-CD 3.15Å
548V83.5Confident84.5Confident42 Ų4228.6 Ų28.626%0.25517%0.171SC..PPolyproline II helixtrans-63.7124.5175-179.90000109.7W303 A306 V307W303-V548 HydrophobicContact CB-CG1 4.05Å; A306-V548 HydrophobicContact CB-CB 4.47Å; A306-V548 HydrophobicContact CB-CG1 4.36Å; A306-V548 HydrophobicContact CB-CG2 3.89Å; V307-V548 HydrophobicContact CG2-CB 4.08Å; V307-V548 HydrophobicContact CG2-CG1 3.7Å
549P82.7Confident84.2Confident4 Ų429.1 Ų29.13%0.02617%0.174CC..PPolyproline II helixtrans-74.5140.3176.730.2-33.1000110.9S547 G551 G552 I554S547-P549 WeakPolarHBondContact O-CD 3.15Å; P549-G551 PolarHBondContact O-N 3.25Å; P549-G552 WeakPolarHBondContact CG-O 3.14Å; P549-G552 PolarHBondContact O-N 3.4Å; P549-I554 HydrophobicContact CB-CB 3.74Å; P549-I554 HydrophobicContact CB-CD1 4.44Å; P549-I554 HydrophobicContact CB-CG2 3.85Å; P549-I554 HydrophobicContact CG-CB 4.24Å; P549-I554 HydrophobicContact CG-CG2 4.07Å
550V79.1Confident83.7Confident62 Ų6229.1 Ų29.138%0.37617%0.174SC..THydrogen-bonded Turntrans-61.2126.8166.4-179.90000107.8W303 V307 D328 V329W303-V550 HydrophobicContact CH2-CG1 3.81Å; W303-V550 HydrophobicContact CZ3-CB 4.43Å; W303-V550 HydrophobicContact CZ3-CG1 3.94Å; V307-V550 HydrophobicContact CG1-CG2 4.3Å; D328-V550 HydrophobicContact CB-CG1 4.43Å; V329-V550 HydrophobicContact CG2-CG2 3.9Å
551G81.2Confident83.1Confident8 Ų833 Ų338%0.08219%0.188CC..THydrogen-bonded Turntrans95.3-5.8-171.100000115W303 P549 N553 S603W303-G551 VanDerWaalsContact CE2-CA 3.42Å; W303-G551 VanDerWaalsContact CZ2-CA 3.47Å; W303-G551 VanDerWaalsContact CZ2-N 3.26Å; W303-G551 VanDerWaalsContact NE1-C 3.29Å; P549-G551 PolarHBondContact O-N 3.25Å; G551-N553 PolarHBondContact O-N 3.15Å; G551-N553 VanDerWaalsContact O-N 3.12Å; G551-S603 PolarHBondContact O-OG 2.9Å
552G84.6Confident82.2Confident0 Ų033.9 Ų33.90%019%0.193CC..SBendtrans80.4-26.1174.800000115.1Y302 W303 P549 G585 S586Y302-G552 WeakPolarHBondContact OH-CA 3.21Å; Y302-G552 PolarHBondContact OH-O 3.3Å; W303-G552 VanDerWaalsContact CD1-CA 3.42Å; P549-G552 WeakPolarHBondContact CG-O 3.14Å; P549-G552 PolarHBondContact O-N 3.4Å; G552-G585 CarbonylContact O-C 3.53Å; G552-G585 WeakPolarHBondContact O-CA 3.33Å; G552-S586 PolarHBondContact O-N 3.42Å; G552-S586 VanDerWaalsContact O-N 3.09Å; G552-S586 PolarHBondContact O-OG 3.15Å
553N88.9Confident81.4Confident12 Ų1236.2 Ų36.26%0.06420%0.199CC..EExtended strand (participates in β ladder)trans-133.3144.1175.8-56.2-66.7000110.7G551 L584 G585 S603 L604 V607G551-N553 PolarHBondContact O-N 3.15Å; G551-N553 VanDerWaalsContact O-N 3.12Å; N553-L584 CarbonylContact C-O 3.52Å; N553-L584 WeakPolarHBondContact CA-O 3.32Å; N553-G585 VanDerWaalsContact OD1-CA 3.29Å; N553-G585 WeakPolarHBondContact OD1-CA 3.5Å; N553-S603 WeakPolarHBondContact ND2-CB 3.46Å; N553-S603 PolarHBondContact ND2-OG 3.3Å; N553-L604 HydrophobicContact CB-CD2 4.35Å; N553-L604 WeakPolarHBondContact OD1-CD2 3.38Å; N553-V607 HydrophobicContact CB-CG2 4.04Å
554I86.9Confident80.7Confident24 Ų2434.3 Ų34.312%0.12319%0.194CC..EExtended strand (participates in β ladder)trans-135.5142.8179.9-168.5166.1000111.9K12 T125 P549 L584K12-I554 HydrophobicContact CD-CD1 4.31Å; T125-I554 HydrophobicContact CG2-CD1 4.25Å; T125-I554 HydrophobicContact CG2-CG2 3.88Å; P549-I554 HydrophobicContact CB-CB 3.74Å; P549-I554 HydrophobicContact CB-CD1 4.44Å; P549-I554 HydrophobicContact CB-CG2 3.85Å; P549-I554 HydrophobicContact CG-CB 4.24Å; P549-I554 HydrophobicContact CG-CG2 4.07Å; I554-L584 HydrophobicContact CG2-CB 3.83Å; I554-L584 HydrophobicContact CG2-CD1 4.49Å; I554-L584 PolarHBondContact N-O 3.31Å; I554-L584 PolarHBondContact O-N 3.09Å
555F87.7Confident79.7Confident42 Ų4232.3 Ų32.318%0.18418%0.178CC..EExtended strand (participates in β ladder)trans-85130.4167.4163.3-109.2000110P557 A581 Y582 V607 T610 C611 Y614F555-P557 HydrophobicContact CE1-CB 4.15Å; F555-P557 HydrophobicContact CE1-CG 3.93Å; F555-P557 HydrophobicContact CZ-CB 3.77Å; F555-P557 HydrophobicContact CZ-CG 4.08Å; F555-A581 HydrophobicContact CD2-CB 4.3Å; F555-A581 HydrophobicContact CE2-CB 3.63Å; F555-Y582 WeakPolarHBondContact CA-O 3.26Å; F555-V607 HydrophobicContact CB-CG1 3.98Å; F555-T610 HydrophobicContact CB-CG2 4.11Å; F555-T610 HydrophobicContact CD1-CG2 3.63Å; F555-T610 HydrophobicContact CD2-CG2 4.03Å; F555-T610 HydrophobicContact CE1-CG2 3.97Å; F555-T610 HydrophobicContact CE2-CG2 4.31Å; F555-T610 HydrophobicContact CG-CG2 3.65Å; F555-T610 HydrophobicContact CZ-CG2 4.29Å; F555-C611 VanDerWaalsContact CD2-SG 3.55Å; F555-Y614 HydrophobicContact CE2-CD1 4.4Å; F555-Y614 HydrophobicContact CE2-CG 4.04Å; F555-Y614 HydrophobicContact CZ-CD1 4.26Å; F555-Y614 AromaticContact CZ-CD2 3.84Å; F555-Y614 HydrophobicContact CZ-CD2 3.84Å; F555-Y614 AromaticContact CZ-CG 3.65Å; F555-Y614 HydrophobicContact CZ-CG 3.65Å
556A85.8Confident78.6Confident2 Ų237 Ų372%0.01720%0.195CC..EExtended strand (participates in β ladder)trans-130.6106.9175.100000111Y582 L584A556-Y582 PolarHBondContact N-O 3.35Å; A556-Y582 PolarHBondContact O-N 3.43Å; A556-L584 HydrophobicContact CB-CD1 4.16Å
557P84.8Confident76.8Confident27 Ų2739.8 Ų39.818%0.17522%0.217CC..EExtended strand (participates in β ladder)trans-74.5139.5175.230.2-31.8000110.4F555 Y614F555-P557 HydrophobicContact CE1-CB 4.15Å; F555-P557 HydrophobicContact CE1-CG 3.93Å; F555-P557 HydrophobicContact CZ-CB 3.77Å; F555-P557 HydrophobicContact CZ-CG 4.08Å; P557-Y614 HydrophobicContact CB-CD1 4.44Å; P557-Y614 HydrophobicContact CB-CD2 4.39Å; P557-Y614 HydrophobicContact CB-CE1 3.88Å; P557-Y614 HydrophobicContact CB-CE2 3.88Å
558V83.4Confident74.9Confident0 Ų045.8 Ų45.80%025%0.246CC..EExtended strand (participates in β ladder)trans-118.1-46.3-176.5173.60000112.2P54 L55 Q115 R118 N119 C122 V580 Y582P54-V558 HydrophobicContact CB-CG1 3.91Å; L55-V558 HydrophobicContact CB-CG1 4.08Å; Q115-V558 PolarHBondContact NE2-O 2.95Å; R118-V558 WeakPolarHBondContact CD-O 3.35Å; R118-V558 WeakPolarHBondContact CG-O 3.37Å; N119-V558 PolarHBondContact OD1-O 2.93Å; C122-V558 HydrophobicContact CB-CG2 3.94Å; C122-V558 WeakPolarHBondContact SG-CG2 3.47Å; V558-V580 HydrophobicContact CB-CB 4.45Å; V558-V580 HydrophobicContact CB-CG1 4.49Å; V558-V580 PolarHBondContact N-O 3.11Å; V558-Y582 HydrophobicContact CB-CD2 4.39Å; V558-Y582 HydrophobicContact CB-CE2 4.32Å; V558-Y582 HydrophobicContact CG2-CD2 3.4Å; V558-Y582 VanDerWaalsContact CG2-CD2 3.4Å; V558-Y582 HydrophobicContact CG2-CE2 3.54Å
559F85Confident73Confident10 Ų1047.7 Ų47.74%0.04425%0.254CS..EExtended strand (participates in β ladder)trans-136.5144.7180-163.6-98.3000109.9P54 F111 Q115 Y578 P579 V580 Y614P54-F559 HydrophobicContact CB-CB 4.11Å; P54-F559 HydrophobicContact CB-CD2 4.47Å; P54-F559 HydrophobicContact CG-CB 3.88Å; P54-F559 HydrophobicContact CG-CD2 3.67Å; P54-F559 HydrophobicContact CG-CE2 4.34Å; P54-F559 HydrophobicContact CG-CG 3.79Å; F111-F559 HydrophobicContact CZ-CE2 4.3Å; F111-F559 HydrophobicContact CZ-CZ 4.11Å; Q115-F559 HydrophobicContact CG-CD2 4.22Å; Q115-F559 HydrophobicContact CG-CE2 4.11Å; F559-Y578 WeakPolarHBondContact CD1-O 3.4Å; F559-P579 CarbonylContact O-C 3.58Å; F559-P579 WeakPolarHBondContact O-CA 3.3Å; F559-P579 WeakPolarHBondContact O-CB 3.46Å; F559-V580 HydrophobicContact CB-CB 4.12Å; F559-V580 HydrophobicContact CB-CG2 4.17Å; F559-V580 PolarHBondContact N-O 2.98Å; F559-V580 VanDerWaalsContact N-O 3.17Å; F559-V580 PolarHBondContact O-N 3.49Å; F559-Y614 VanDerWaalsContact O-CE1 3.3Å; F559-Y614 WeakPolarHBondContact O-CE1 2.93Å; F559-Y614 PolarHBondContact O-OH 3.26Å
560T79.1Confident70.8Confident4 Ų451.4 Ų51.43%0.02528%0.278CS..  trans-116.5152.9176.5-167.90000110.4F111 N562 Y614 H622F111-T560 HydrophobicContact CE2-CG2 4.13Å; T560-N562 PolarHBondContact O-N 3.13Å; T560-Y614 WeakPolarHBondContact CB-OH 3.32Å; T560-H622 HydrophobicContact CG2-CB 4.01Å
561R75.5Confident69Low81 Ų8150.7 Ų50.731%0.30628%0.276SS..  trans-59139.2169.9-169.2173.1-163.6178.15.6109.6P579R561-P579 HydrophobicContact CB-CG 4.05Å
562N72.8Confident66.9Low18 Ų1858.3 Ų58.310%0.09631%0.309CS..  trans-135.7142.5165.869.785.1000108F111 T560 L564F111-N562 HydrophobicContact CD2-CB 3.84Å; F111-N562 HydrophobicContact CE2-CB 3.55Å; F111-N562 HydrophobicContact CG-CB 4.47Å; F111-N562 HydrophobicContact CZ-CB 3.94Å; F111-N562 WeakPolarHBondContact CZ-ND2 3.22Å; T560-N562 PolarHBondContact O-N 3.13Å; N562-L564 VanDerWaalsContact C-N 3.33Å; N562-L564 HydrophobicContact CB-CG 4.34Å; N562-L564 PolarHBondContact OD1-N 3.17Å
563N69.2Low64.8Low96 Ų9659.7 Ų59.751%0.51332%0.318SS..  trans-100.524.6173.3-80.32.1000111.6P620N563-P620 HydrophobicContact CB-CB 4.37Å; N563-P620 WeakPolarHBondContact ND2-CB 3.32Å
564L67.2Low62.5Low29 Ų2968.7 Ų68.715%0.15236%0.36CS..  trans-69.4140.7-179.3-65.7-179.9000109.9E107 Q108 F111 N562 K566E107-L564 HydrophobicContact CB-CD2 3.8Å; Q108-L564 HydrophobicContact CG-CD1 4.36Å; Q108-L564 HydrophobicContact CG-CD2 3.67Å; Q108-L564 HydrophobicContact CG-CG 4.46Å; F111-L564 HydrophobicContact CB-CD1 3.42Å; F111-L564 VanDerWaalsContact CB-CD1 3.42Å; F111-L564 HydrophobicContact CD1-CD1 3.9Å; F111-L564 HydrophobicContact CD2-CD1 4.5Å; F111-L564 HydrophobicContact CG-CD1 3.69Å; N562-L564 VanDerWaalsContact C-N 3.33Å; N562-L564 HydrophobicContact CB-CG 4.34Å; N562-L564 PolarHBondContact OD1-N 3.17Å; L564-K566 PolarHBondContact O-N 3.37Å
565P59.4Low60.6Low85 Ų8569.4 Ų69.455%0.55237%0.367SS*.  trans-52.5143.1167.6-17.728.5000108.6S567P565-S567 VanDerWaalsContact C-N 3.33Å; P565-S567 PolarHBondContact O-N 2.64Å
566K52.4Low58.9Low171 Ų17168.4 Ų68.474%0.74337%0.366SS*.  trans-54.2102.7172.3-73.5-175178.6-177.10108L564L564-K566 PolarHBondContact O-N 3.37Å
567S44.1Very low58.1Low77 Ų7773.2 Ų73.254%0.53839%0.388SS..  trans-58.5154.3168.9168.70000108.1P565 I569P565-S567 VanDerWaalsContact C-N 3.33Å; P565-S567 PolarHBondContact O-N 2.64Å; S567-I569 PolarHBondContact O-N 3.43Å
568D39.9Very low58Low167 Ų16774 Ų7489%0.89339%0.388SS*.SBendtrans-584.1173.4-66.1-41.2000114.4P570D568-P570 WeakPolarHBondContact O-CD 3.36Å
569I44.1Very low58.2Low82 Ų8274.2 Ų74.242%0.42139%0.388SS..SBendtrans-78.1108.8167.3-54.9169.2000107.9S567 S571S567-I569 PolarHBondContact O-N 3.43Å; I569-S571 PolarHBondContact O-N 2.88Å
570P35.7Very low58.4Low82 Ų8274 Ų7453%0.53239%0.388SS..  trans-64.1105.5176.224.6-31.6000109.7D568D568-P570 WeakPolarHBondContact O-CD 3.36Å
571S40.7Very low58.9Low48 Ų4873.9 Ų73.934%0.33639%0.387SS..  trans-74.9123.8162.864.40000108.1E53 I569 S573E53-S571 WeakPolarHBondContact OE1-CB 3.13Å; I569-S571 PolarHBondContact O-N 2.88Å; S571-S573 VanDerWaalsContact C-N 3.29Å
572H38.2Very low59.6Low168 Ų16870.2 Ų70.278%0.77837%0.373SS*.  trans-90.48.9-175.7-77-65.9000112.8
573S40.2Very low60.5Low28 Ų2869.3 Ų69.320%0.19637%0.369CS..  trans-120.5125.5-176.374.90000111.8E53 S571 S575 S576E53-S573 PolarHBondContact OE2-OG 3.44Å; S571-S573 VanDerWaalsContact C-N 3.29Å; S573-S575 VanDerWaalsContact CB-OG 3.23Å; S573-S575 WeakPolarHBondContact CB-OG 3.46Å; S573-S575 PolarHBondContact O-N 3.21Å; S573-S575 VanDerWaalsContact O-N 3.14Å; S573-S575 PolarHBondContact OG-OG 3.27Å; S573-S575 VanDerWaalsContact OG-OG 3.09Å; S573-S576 WeakPolarHBondContact O-CB 3.45Å; S573-S576 PolarHBondContact O-N 2.84Å
574Q40.2Very low61.4Low202 Ų20264.8 Ų64.894%0.94434%0.344SS*.THydrogen-bonded Turntrans-61.2-14.3169-83.6179-1600112.3S576Q574-S576 VanDerWaalsContact C-N 3.25Å; Q574-S576 PolarHBondContact O-N 2.98Å
575S47.3Very low62.4Low38 Ų3863.4 Ų63.427%0.26634%0.337SS..THydrogen-bonded Turntrans-75.8-1.1178.152.10000114.9S573 H577S573-S575 VanDerWaalsContact CB-OG 3.23Å; S573-S575 WeakPolarHBondContact CB-OG 3.46Å; S573-S575 PolarHBondContact O-N 3.21Å; S573-S575 VanDerWaalsContact O-N 3.14Å; S573-S575 PolarHBondContact OG-OG 3.27Å; S573-S575 VanDerWaalsContact OG-OG 3.09Å; S575-H577 PolarHBondContact O-N 3.43Å
576S53.3Low63.8Low22 Ų2259.7 Ų59.715%0.15431%0.314CS..THydrogen-bonded Turntrans-65.99-168-178.70000117.3S573 Q574S573-S576 WeakPolarHBondContact O-CB 3.45Å; S573-S576 PolarHBondContact O-N 2.84Å; Q574-S576 VanDerWaalsContact C-N 3.25Å; Q574-S576 PolarHBondContact O-N 2.98Å
577H67.6Low65.6Low103 Ų10351.6 Ų51.648%0.47728%0.278SS..THydrogen-bonded Turntrans-119.4-13.5-171.6-70.1-63000116.7S575S575-H577 PolarHBondContact O-N 3.43Å
578Y82.1Confident67.7Low44 Ų4452 Ų5217%0.17328%0.275CS..SBendtrans-120.6150.5-174.958.9-108.2000112.4H523 V532 E535 F559 V580H523-Y578 AromaticContact NE2-CZ 3.93Å; H523-Y578 PolarHBondContact NE2-OH 2.96Å; V532-Y578 HydrophobicContact CG1-CD1 4.49Å; E535-Y578 HydrophobicContact CB-CD2 4.15Å; E535-Y578 HydrophobicContact CB-CE2 3.63Å; E535-Y578 PolarHBondContact OE2-OH 3.35Å; F559-Y578 WeakPolarHBondContact CD1-O 3.4Å; Y578-V580 HydrophobicContact CD2-CG2 4.2Å; Y578-V580 HydrophobicContact CE2-CG2 4.09Å
579P88.9Confident69.9Low3 Ų348.9 Ų48.92%0.01925%0.254CS..  trans-65.4146.8177.8-15.830.5000111.9L533 G534 E535 F559 R561 Y614L533-P579 WeakPolarHBondContact O-CD 3.42Å; G534-P579 CarbonylContact C-O 3.46Å; G534-P579 WeakPolarHBondContact CA-O 3.47Å; E535-P579 PolarHBondContact N-O 3.27Å; F559-P579 CarbonylContact O-C 3.58Å; F559-P579 WeakPolarHBondContact O-CA 3.3Å; F559-P579 WeakPolarHBondContact O-CB 3.46Å; R561-P579 HydrophobicContact CB-CG 4.05Å; P579-Y614 HydrophobicContact CB-CD1 4.08Å; P579-Y614 HydrophobicContact CB-CE1 3.77Å
580V88.8Confident71.9Confident7 Ų748 Ų484%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-125.9131.4177-175.50000109.1E535 I537 V558 F559 Y578E535-V580 HydrophobicContact CB-CG1 4.41Å; E535-V580 HydrophobicContact CB-CG2 4.27Å; E535-V580 WeakPolarHBondContact O-CA 3.16Å; I537-V580 HydrophobicContact CD1-CG1 4.07Å; V558-V580 HydrophobicContact CB-CB 4.45Å; V558-V580 HydrophobicContact CB-CG1 4.49Å; V558-V580 PolarHBondContact N-O 3.11Å; F559-V580 HydrophobicContact CB-CB 4.12Å; F559-V580 HydrophobicContact CB-CG2 4.17Å; F559-V580 PolarHBondContact N-O 2.98Å; F559-V580 VanDerWaalsContact N-O 3.17Å; F559-V580 PolarHBondContact O-N 3.49Å; Y578-V580 HydrophobicContact CD2-CG2 4.2Å; Y578-V580 HydrophobicContact CE2-CG2 4.09Å
581A89.4Confident74.4Confident0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-135.3151.8177.100000112.5E535 I536 I537 F555 Y614 V615E535-A581 PolarHBondContact O-N 3.19Å; I536-A581 WeakPolarHBondContact CA-O 3.36Å; I537-A581 PolarHBondContact N-O 2.9Å; F555-A581 HydrophobicContact CD2-CB 4.3Å; F555-A581 HydrophobicContact CE2-CB 3.63Å; A581-Y614 HydrophobicContact CB-CD1 3.76Å; A581-Y614 HydrophobicContact CB-CE1 4.37Å; A581-V615 HydrophobicContact CB-CG1 4.41Å
582Y90Very high76.7Confident4 Ų445.3 Ų45.32%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-110145.2173.7-74.9-105000112.2L55 I57 I537 F555 A556 V558 L584L55-Y582 PolarHBondContact O-OH 3.45Å; I57-Y582 HydrophobicContact CD1-CE1 3.97Å; I57-Y582 HydrophobicContact CG1-CE1 4.35Å; I537-Y582 HydrophobicContact CB-CD1 3.67Å; I537-Y582 HydrophobicContact CB-CE1 3.69Å; I537-Y582 HydrophobicContact CB-CG 4.14Å; I537-Y582 HydrophobicContact CD1-CD1 4.45Å; I537-Y582 HydrophobicContact CD1-CD2 4.39Å; I537-Y582 HydrophobicContact CD1-CE1 3.77Å; I537-Y582 HydrophobicContact CD1-CE2 3.69Å; I537-Y582 WeakPolarHBondContact CD1-OH 3.49Å; I537-Y582 HydrophobicContact CG1-CE1 4.35Å; I537-Y582 HydrophobicContact CG2-CD1 3.63Å; I537-Y582 HydrophobicContact CG2-CE1 3.41Å; I537-Y582 VanDerWaalsContact CG2-CE1 3.41Å; I537-Y582 CarbonylContact O-C 3.23Å; I537-Y582 WeakPolarHBondContact O-CA 3.5Å; F555-Y582 WeakPolarHBondContact CA-O 3.26Å; A556-Y582 PolarHBondContact N-O 3.35Å; A556-Y582 PolarHBondContact O-N 3.43Å; V558-Y582 HydrophobicContact CB-CD2 4.39Å; V558-Y582 HydrophobicContact CB-CE2 4.32Å; V558-Y582 HydrophobicContact CG2-CD2 3.4Å; V558-Y582 VanDerWaalsContact CG2-CD2 3.4Å; V558-Y582 HydrophobicContact CG2-CE2 3.54Å; Y582-L584 HydrophobicContact CD1-CD2 3.81Å; Y582-L584 HydrophobicContact CG-CD2 4.24Å
583I91.3Very high79.1Confident0 Ų041.4 Ų41.40%022%0.219CC..EExtended strand (participates in β ladder)trans-105.9118.2156-56.8-175.1000106.9I536 I537 I538 D539 L604 V607 F608 C611I536-I583 HydrophobicContact CG2-CD1 4.39Å; I536-I583 HydrophobicContact CG2-CG1 4.35Å; I537-I583 PolarHBondContact O-N 2.83Å; I538-I583 WeakPolarHBondContact CA-O 3.42Å; I538-I583 HydrophobicContact CB-CB 4.29Å; I538-I583 HydrophobicContact CD1-CD1 3.95Å; I538-I583 HydrophobicContact CG1-CB 4.15Å; I538-I583 HydrophobicContact CG1-CD1 4.03Å; I538-I583 HydrophobicContact CG1-CG1 4.22Å; I538-I583 HydrophobicContact CG2-CB 3.95Å; I538-I583 HydrophobicContact CG2-CG2 4.12Å; D539-I583 PolarHBondContact N-O 3.39Å; I583-L604 HydrophobicContact CG2-CD2 4.18Å; I583-V607 HydrophobicContact CB-CG1 4.4Å; I583-V607 HydrophobicContact CD1-CG1 4.33Å; I583-V607 HydrophobicContact CG1-CG1 4.02Å; I583-V607 HydrophobicContact CG2-CB 4.5Å; I583-V607 HydrophobicContact CG2-CG1 3.91Å; I583-F608 HydrophobicContact CD1-CB 3.87Å; I583-F608 HydrophobicContact CD1-CD2 3.97Å; I583-F608 HydrophobicContact CD1-CG 4.44Å; I583-C611 WeakPolarHBondContact CG1-SG 3.28Å
584L89.4Confident81.4Confident0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-115.5121.2179.3-53.7173.3000108.6T125 L126 D539 N553 I554 A556 Y582T125-L584 HydrophobicContact CG2-CD1 3.72Å; L126-L584 HydrophobicContact CD2-CD1 3.61Å; L126-L584 HydrophobicContact CD2-CD2 3.95Å; L126-L584 HydrophobicContact CD2-CG 4.45Å; L126-L584 HydrophobicContact CG-CD1 4.37Å; D539-L584 HydrophobicContact CB-CD2 4.25Å; D539-L584 CarbonylContact O-C 3.47Å; D539-L584 WeakPolarHBondContact O-CA 3.43Å; N553-L584 CarbonylContact C-O 3.52Å; N553-L584 WeakPolarHBondContact CA-O 3.32Å; I554-L584 HydrophobicContact CG2-CB 3.83Å; I554-L584 HydrophobicContact CG2-CD1 4.49Å; I554-L584 PolarHBondContact N-O 3.31Å; I554-L584 PolarHBondContact O-N 3.09Å; A556-L584 HydrophobicContact CB-CD1 4.16Å; Y582-L584 HydrophobicContact CD1-CD2 3.81Å; Y582-L584 HydrophobicContact CG-CD2 4.24Å
585G88.7Confident83.8Confident0 Ų035.6 Ų35.60%019%0.194CC..EExtended strand (participates in β ladder)trans-109.8-175.9179.400000113.3D539 P540 R546 G552 N553D539-G585 PolarHBondContact O-N 3.21Å; P540-G585 CarbonylContact O-C 3.38Å; P540-G585 VanDerWaalsContact O-CA 3.24Å; P540-G585 WeakPolarHBondContact O-CA 3.43Å; R546-G585 PolarHBondContact NH2-O 3.28Å; G552-G585 CarbonylContact O-C 3.53Å; G552-G585 WeakPolarHBondContact O-CA 3.33Å; N553-G585 VanDerWaalsContact OD1-CA 3.29Å; N553-G585 WeakPolarHBondContact OD1-CA 3.5Å
586S88.4Confident86Confident8 Ų834 Ų346%0.05618%0.182CC..EExtended strand (participates in β ladder)trans-136.831175.466.50000112.7Y302 P540 G552Y302-S586 WeakPolarHBondContact CE2-O 3.19Å; P540-S586 PolarHBondContact O-N 3.11Å; G552-S586 PolarHBondContact O-N 3.42Å; G552-S586 VanDerWaalsContact O-N 3.09Å; G552-S586 PolarHBondContact O-OG 3.15Å
587L90.4Very high87.9Confident0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-65145.3176.6-58.6-178000111Y302 L481 P540 F541 A542 M591 I596 V600Y302-L587 HydrophobicContact CE1-CD2 4.23Å; Y302-L587 HydrophobicContact CE2-CD2 3.87Å; L481-L587 HydrophobicContact CD2-CD1 3.83Å; P540-L587 HydrophobicContact CB-CD1 4.02Å; P540-L587 WeakPolarHBondContact O-CB 3.47Å; P540-L587 VanDerWaalsContact O-CG 3.26Å; P540-L587 WeakPolarHBondContact O-CG 3.37Å; P540-L587 PolarHBondContact O-N 3.04Å; F541-L587 CarbonylContact C-O 3.21Å; F541-L587 WeakPolarHBondContact CA-O 3.46Å; F541-L587 HydrophobicContact CD1-CB 3.97Å; F541-L587 HydrophobicContact CE1-CB 4.37Å; A542-L587 PolarHBondContact N-O 3.13Å; L587-M591 HydrophobicContact CB-SD 3.92Å; L587-M591 HydrophobicContact CD2-SD 3.79Å; L587-M591 HydrophobicContact CG-SD 4.37Å; L587-I596 HydrophobicContact CD1-CG2 3.95Å; L587-I596 HydrophobicContact CD2-CG2 4.26Å; L587-V600 HydrophobicContact CD2-CG1 3.51Å
588N87.1Confident89Confident87 Ų8729 Ų2947%0.46516%0.159SC..  trans-71.6147.4172.2-69.5-18.6000109.8S590 M591N588-S590 PolarHBondContact O-N 3.5Å; N588-S590 VanDerWaalsContact O-N 3.17Å; N588-M591 HydrophobicContact CB-CG 4.34Å; N588-M591 HydrophobicContact CB-SD 4.44Å; N588-M591 VanDerWaalsContact O-CB 3.27Å; N588-M591 WeakPolarHBondContact O-CB 3.31Å; N588-M591 PolarHBondContact O-N 3.1Å
589Q85.9Confident89.4Confident100 Ų10028.2 Ų28.247%0.46716%0.158SC..THydrogen-bonded Turntrans-56.4-36.1-178.8-166.564.323.400113E518 M591 E592E518-Q589 VanDerWaalsContact CD-NE2 3.34Å; E518-Q589 VanDerWaalsContact OE1-CD 3.26Å; E518-Q589 PolarHBondContact OE1-NE2 2.93Å; E518-Q589 PolarHBondContact OE1-OE1 3.18Å; E518-Q589 PolarHBondContact OE2-OE1 3.41Å; Q589-M591 PolarHBondContact O-N 3.36Å; Q589-M591 VanDerWaalsContact O-N 3.16Å; Q589-E592 WeakPolarHBondContact O-CB 3.23Å; Q589-E592 PolarHBondContact O-N 3.42Å; Q589-E592 VanDerWaalsContact O-N 3.11Å
590S86.4Confident89.6Confident64 Ų6428.6 Ų28.645%0.44816%0.16SC..THydrogen-bonded Turntrans-63.1-19.3178.257.60000113.9N588 E592 T593 N594N588-S590 PolarHBondContact O-N 3.5Å; N588-S590 VanDerWaalsContact O-N 3.17Å; S590-E592 PolarHBondContact O-N 3.43Å; S590-T593 PolarHBondContact O-N 3.36Å; S590-T593 PolarHBondContact O-OG1 2.81Å; S590-N594 VanDerWaalsContact O-CB 3.27Å; S590-N594 WeakPolarHBondContact O-CB 3.25Å; S590-N594 VanDerWaalsContact O-CG 3.24Å; S590-N594 PolarHBondContact O-N 3.27Å; S590-N594 PolarHBondContact O-ND2 3.05Å
591M89Confident89.8Confident39 Ų3928.3 Ų28.319%0.19216%0.158CC..Hα-helixtrans-71.8-16.2176.5-64.6177.1168.200112.6L587 N588 Q589 T593 G595 I596L587-M591 HydrophobicContact CB-SD 3.92Å; L587-M591 HydrophobicContact CD2-SD 3.79Å; L587-M591 HydrophobicContact CG-SD 4.37Å; N588-M591 HydrophobicContact CB-CG 4.34Å; N588-M591 HydrophobicContact CB-SD 4.44Å; N588-M591 VanDerWaalsContact O-CB 3.27Å; N588-M591 WeakPolarHBondContact O-CB 3.31Å; N588-M591 PolarHBondContact O-N 3.1Å; Q589-M591 PolarHBondContact O-N 3.36Å; Q589-M591 VanDerWaalsContact O-N 3.16Å; M591-T593 PolarHBondContact O-N 2.88Å; M591-G595 WeakPolarHBondContact O-CA 3.47Å; M591-G595 PolarHBondContact O-N 3.07Å; M591-I596 HydrophobicContact CB-CG2 4.07Å; M591-I596 HydrophobicContact SD-CG2 4.23Å
592E89.1Confident89.9Confident35 Ų3528.3 Ų28.316%0.16416%0.158CC..Hα-helixtrans-58.5-39.1175.1177.254.6-163.500111.5S480 L481 V482 F541 Q589 S590S480-E592 WeakPolarHBondContact CA-OE1 3.48Å; S480-E592 VanDerWaalsContact CB-OE1 3.28Å; S480-E592 WeakPolarHBondContact CB-OE1 3.42Å; S480-E592 PolarHBondContact OG-OE1 2.92Å; L481-E592 WeakPolarHBondContact CB-O 3.42Å; L481-E592 WeakPolarHBondContact CB-OE2 3.22Å; L481-E592 PolarHBondContact N-O 3.4Å; L481-E592 PolarHBondContact N-OE1 2.76Å; L481-E592 PolarHBondContact N-OE2 2.85Å; V482-E592 VanDerWaalsContact CG2-OE2 3.3Å; V482-E592 WeakPolarHBondContact CG2-OE2 3.37Å; V482-E592 PolarHBondContact N-OE1 3.24Å; V482-E592 PolarHBondContact N-OE2 3.33Å; V482-E592 VanDerWaalsContact N-OE2 3.12Å; F541-E592 HydrophobicContact CE1-CB 4.07Å; F541-E592 HydrophobicContact CZ-CB 3.93Å; F541-E592 HydrophobicContact CZ-CG 4.43Å; F541-E592 VanDerWaalsContact CZ-OE2 3.31Å; F541-E592 WeakPolarHBondContact CZ-OE2 3.5Å; Q589-E592 WeakPolarHBondContact O-CB 3.23Å; Q589-E592 PolarHBondContact O-N 3.42Å; Q589-E592 VanDerWaalsContact O-N 3.11Å; S590-E592 PolarHBondContact O-N 3.43Å
593T87.8Confident90Very high86 Ų8628.3 Ų28.353%0.52816%0.159SC..Hα-helixtrans-99.7-39.4178.954.50000112.5S590 M591 G595S590-T593 PolarHBondContact O-N 3.36Å; S590-T593 PolarHBondContact O-OG1 2.81Å; M591-T593 PolarHBondContact O-N 2.88Å; T593-G595 VanDerWaalsContact C-N 3.27Å; T593-G595 PolarHBondContact O-N 3.25Å
594N88.5Confident90.1Very high102 Ų10228.3 Ų28.355%0.54516%0.159SC..Hα-helixtrans-74.9-18.1-176.2-65.4-21000113.2S590S590-N594 VanDerWaalsContact O-CB 3.27Å; S590-N594 WeakPolarHBondContact O-CB 3.25Å; S590-N594 VanDerWaalsContact O-CG 3.24Å; S590-N594 PolarHBondContact O-N 3.27Å; S590-N594 PolarHBondContact O-ND2 3.05Å
595G91.3Very high90.4Very high6 Ų628.3 Ų28.36%0.06216%0.159CC..  trans84.4-174.4-17500000113.7I474 M591 T593I474-G595 WeakPolarHBondContact O-CA 3.48Å; M591-G595 WeakPolarHBondContact O-CA 3.47Å; M591-G595 PolarHBondContact O-N 3.07Å; T593-G595 VanDerWaalsContact C-N 3.27Å; T593-G595 PolarHBondContact O-N 3.25Å
596I93.6Very high90.5Very high4 Ų428.5 Ų28.52%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-132.6155.9-176.257.7175.2000110.9I474 L481 L587 M591 V600 L601 L604I474-I596 PolarHBondContact N-O 2.9Å; I474-I596 PolarHBondContact O-N 2.76Å; L481-I596 HydrophobicContact CD1-CD1 3.82Å; L481-I596 HydrophobicContact CD1-CG1 3.76Å; L481-I596 HydrophobicContact CD1-CG2 4.27Å; L481-I596 HydrophobicContact CD2-CG2 3.58Å; L587-I596 HydrophobicContact CD1-CG2 3.95Å; L587-I596 HydrophobicContact CD2-CG2 4.26Å; M591-I596 HydrophobicContact CB-CG2 4.07Å; M591-I596 HydrophobicContact SD-CG2 4.23Å; I596-V600 HydrophobicContact CB-CB 4.14Å; I596-V600 HydrophobicContact CB-CG1 4.11Å; I596-V600 HydrophobicContact CD1-CB 4.31Å; I596-V600 HydrophobicContact CD1-CG1 4Å; I596-V600 HydrophobicContact CG2-CG1 4.24Å; I596-L601 HydrophobicContact CD1-CB 3.87Å; I596-L601 HydrophobicContact CD1-CD1 4.31Å; I596-L601 HydrophobicContact CG1-CB 4.49Å; I596-L604 HydrophobicContact CD1-CD1 4.06Å
597S91.5Very high90.7Very high19 Ų1928.3 Ų28.313%0.13316%0.158CC..EExtended strand (participates in β ladder)trans-68.1152.8170.973.10000111.6E471 N599 V600 L601E471-S597 WeakPolarHBondContact OE2-CB 3.35Å; E471-S597 PolarHBondContact OE2-OG 2.67Å; S597-N599 PolarHBondContact O-N 3.03Å; S597-V600 WeakPolarHBondContact O-CB 3.25Å; S597-V600 PolarHBondContact O-N 2.91Å; S597-V600 WeakPolarHBondContact OG-CG2 3.47Å; S597-L601 PolarHBondContact O-N 2.93Å
598F91.4Very high91Very high1 Ų128.3 Ų28.30%0.00416%0.158CC..Hα-helixtrans-57.5-34.4179.5-174.7-125.2000112.5R469 L470 H472 I474 V600 L601 L602 G647 Y648 Y650 L655R469-F598 HydrophobicContact CG-CD1 4.27Å; R469-F598 HydrophobicContact CG-CE1 4.41Å; R469-F598 WeakPolarHBondContact O-CB 3.49Å; L470-F598 HydrophobicContact CD2-CD1 4.33Å; L470-F598 PolarHBondContact O-N 3.45Å; H472-F598 PolarHBondContact O-N 3.4Å; I474-F598 HydrophobicContact CD1-CB 4.16Å; I474-F598 HydrophobicContact CD1-CD2 3.55Å; I474-F598 HydrophobicContact CD1-CE2 4.43Å; I474-F598 HydrophobicContact CD1-CG 4.31Å; F598-V600 VanDerWaalsContact C-N 3.3Å; F598-V600 PolarHBondContact O-N 3.24Å; F598-L601 HydrophobicContact CD2-CD2 4.3Å; F598-L601 PolarHBondContact O-N 3.06Å; F598-L602 HydrophobicContact CD1-CD1 3.88Å; F598-L602 HydrophobicContact CD1-CG 4.31Å; F598-L602 HydrophobicContact CD2-CG 4.41Å; F598-L602 HydrophobicContact CE1-CD1 3.62Å; F598-L602 HydrophobicContact CE1-CD2 4.19Å; F598-L602 HydrophobicContact CE1-CG 4.04Å; F598-L602 HydrophobicContact CE2-CD2 4.05Å; F598-L602 HydrophobicContact CE2-CG 4.16Å; F598-L602 HydrophobicContact CG-CD1 4.5Å; F598-L602 HydrophobicContact CZ-CD1 4.04Å; F598-L602 HydrophobicContact CZ-CD2 3.73Å; F598-L602 HydrophobicContact CZ-CG 3.97Å; F598-L602 VanDerWaalsContact O-CG 3.31Å; F598-L602 WeakPolarHBondContact O-CG 3.41Å; F598-L602 PolarHBondContact O-N 3.36Å; F598-G647 WeakPolarHBondContact CZ-O 3.19Å; F598-Y648 HydrophobicContact CE1-CD2 4.45Å; F598-Y650 HydrophobicContact CD1-CE1 4.4Å; F598-Y650 WeakPolarHBondContact CD1-OH 3.32Å; F598-Y650 HydrophobicContact CD2-CE1 4.14Å; F598-Y650 AromaticContact CE1-CE1 3.7Å; F598-Y650 HydrophobicContact CE1-CE1 3.7Å; F598-Y650 HydrophobicContact CE1-CE2 4.31Å; F598-Y650 AromaticContact CE1-CZ 3.44Å; F598-Y650 VanDerWaalsContact CE1-CZ 3.44Å; F598-Y650 WeakPolarHBondContact CE1-OH 3.28Å; F598-Y650 HydrophobicContact CE2-CD1 4.05Å; F598-Y650 AromaticContact CE2-CE1 3.36Å; F598-Y650 HydrophobicContact CE2-CE1 3.36Å; F598-Y650 AromaticContact CZ-CD1 3.82Å; F598-Y650 HydrophobicContact CZ-CD1 3.82Å; F598-Y650 AromaticContact CZ-CE1 3.09Å; F598-Y650 HydrophobicContact CZ-CE1 3.09Å; F598-Y650 HydrophobicContact CZ-CE2 4.24Å; F598-Y650 AromaticContact CZ-CZ 3.34Å; F598-Y650 WeakPolarHBondContact CZ-OH 3.13Å; F598-L655 HydrophobicContact CE2-CD2 4.24Å
599N90.1Very high91.3Very high28 Ų2824.1 Ų24.115%0.1514%0.136CC..Hα-helixtrans-58.6-39.5174.9-172.813.8000113.2L4 R8 L470 S597 S603L4-N599 WeakPolarHBondContact CD2-OD1 3.45Å; R8-N599 PolarHBondContact NH1-O 3.01Å; R8-N599 VanDerWaalsContact NH1-O 3.13Å; R8-N599 PolarHBondContact NH2-OD1 3.33Å; L470-N599 HydrophobicContact CB-CB 4.2Å; L470-N599 HydrophobicContact CD2-CB 4.42Å; L470-N599 PolarHBondContact O-N 3.02Å; S597-N599 PolarHBondContact O-N 3.03Å; N599-S603 PolarHBondContact O-N 3.41Å; N599-S603 VanDerWaalsContact O-N 3.13Å
600V92.7Very high91.6Very high11 Ų1120.1 Ų20.17%0.06712%0.118CC..Hα-helixtrans-68.6-43.6176.5177.90000110.4Y302 L587 I596 S597 F598 L602 S603 L604Y302-V600 HydrophobicContact CD1-CG2 3.66Å; Y302-V600 HydrophobicContact CE1-CB 4.47Å; Y302-V600 HydrophobicContact CE1-CG1 4.08Å; Y302-V600 HydrophobicContact CE1-CG2 3.59Å; L587-V600 HydrophobicContact CD2-CG1 3.51Å; I596-V600 HydrophobicContact CB-CB 4.14Å; I596-V600 HydrophobicContact CB-CG1 4.11Å; I596-V600 HydrophobicContact CD1-CB 4.31Å; I596-V600 HydrophobicContact CD1-CG1 4Å; I596-V600 HydrophobicContact CG2-CG1 4.24Å; S597-V600 WeakPolarHBondContact O-CB 3.25Å; S597-V600 PolarHBondContact O-N 2.91Å; S597-V600 WeakPolarHBondContact OG-CG2 3.47Å; F598-V600 VanDerWaalsContact C-N 3.3Å; F598-V600 PolarHBondContact O-N 3.24Å; V600-L602 VanDerWaalsContact C-N 3.31Å; V600-L602 PolarHBondContact O-N 3.04Å; V600-S603 WeakPolarHBondContact O-CA 3.08Å; V600-S603 WeakPolarHBondContact O-CB 3.46Å; V600-S603 PolarHBondContact O-N 3.15Å; V600-L604 PolarHBondContact O-N 3.36Å; V600-L604 VanDerWaalsContact O-N 3.08Å
601L93.7Very high91.9Very high0 Ų017 Ų170%010%0.097CC..Hα-helixtrans-59.4-43.2176.1-17958.7000111.7I474 Y484 L485 V488 I596 S597 F598 S603 L604 I605 L655I474-L601 HydrophobicContact CD1-CD2 3.49Å; I474-L601 VanDerWaalsContact CD1-CD2 3.49Å; Y484-L601 HydrophobicContact CE1-CD2 3.92Å; L485-L601 HydrophobicContact CD2-CD1 3.5Å; L485-L601 VanDerWaalsContact CD2-CD1 3.5Å; V488-L601 HydrophobicContact CG1-CD1 4.34Å; I596-L601 HydrophobicContact CD1-CB 3.87Å; I596-L601 HydrophobicContact CD1-CD1 4.31Å; I596-L601 HydrophobicContact CG1-CB 4.49Å; S597-L601 PolarHBondContact O-N 2.93Å; F598-L601 HydrophobicContact CD2-CD2 4.3Å; F598-L601 PolarHBondContact O-N 3.06Å; L601-S603 VanDerWaalsContact C-N 3.27Å; L601-S603 PolarHBondContact O-N 3.23Å; L601-L604 WeakPolarHBondContact O-CB 3.22Å; L601-L604 PolarHBondContact O-N 3.19Å; L601-I605 HydrophobicContact CD1-CD1 4.38Å; L601-I605 HydrophobicContact CD1-CG1 4.49Å; L601-I605 HydrophobicContact CG-CD1 3.99Å; L601-I605 WeakPolarHBondContact O-CG1 3.47Å; L601-I605 PolarHBondContact O-N 3.4Å; L601-L655 HydrophobicContact CD2-CD2 3.67Å
602L92.5Very high92.1Very high0 Ų015.2 Ų15.20%09%0.088CC..Hα-helixtrans-63.9-32.3175.8-67.1175.1000112.9L470 F598 V600 I605 S606 Y644 G647 Y648L470-L602 HydrophobicContact CD2-CD1 4.08Å; F598-L602 HydrophobicContact CD1-CD1 3.88Å; F598-L602 HydrophobicContact CD1-CG 4.31Å; F598-L602 HydrophobicContact CD2-CG 4.41Å; F598-L602 HydrophobicContact CE1-CD1 3.62Å; F598-L602 HydrophobicContact CE1-CD2 4.19Å; F598-L602 HydrophobicContact CE1-CG 4.04Å; F598-L602 HydrophobicContact CE2-CD2 4.05Å; F598-L602 HydrophobicContact CE2-CG 4.16Å; F598-L602 HydrophobicContact CG-CD1 4.5Å; F598-L602 HydrophobicContact CZ-CD1 4.04Å; F598-L602 HydrophobicContact CZ-CD2 3.73Å; F598-L602 HydrophobicContact CZ-CG 3.97Å; F598-L602 VanDerWaalsContact O-CG 3.31Å; F598-L602 WeakPolarHBondContact O-CG 3.41Å; F598-L602 PolarHBondContact O-N 3.36Å; V600-L602 VanDerWaalsContact C-N 3.31Å; V600-L602 PolarHBondContact O-N 3.04Å; L602-I605 HydrophobicContact CD2-CD1 4.45Å; L602-S606 WeakPolarHBondContact O-CB 3.45Å; L602-S606 PolarHBondContact O-N 2.67Å; L602-Y644 HydrophobicContact CB-CD2 3.9Å; L602-Y644 HydrophobicContact CB-CE2 3.53Å; L602-Y644 HydrophobicContact CD1-CE2 3.79Å; L602-Y644 HydrophobicContact CD2-CE2 4.48Å; L602-Y644 HydrophobicContact CG-CE2 4.16Å; L602-G647 VanDerWaalsContact CD2-C 3.42Å; L602-Y648 HydrophobicContact CD1-CD2 3.77Å; L602-Y648 VanDerWaalsContact CD2-N 3.29Å
603S91.5Very high92.2Very high4 Ų414 Ų143%0.0288%0.082CC..Hα-helixtrans-61.1-50.5172.2-165.70000110.4R8 G551 N553 N599 V600 L601 S606 V607R8-S603 VanDerWaalsContact NH1-N 3.16Å; G551-S603 PolarHBondContact O-OG 2.9Å; N553-S603 WeakPolarHBondContact ND2-CB 3.46Å; N553-S603 PolarHBondContact ND2-OG 3.3Å; N599-S603 PolarHBondContact O-N 3.41Å; N599-S603 VanDerWaalsContact O-N 3.13Å; V600-S603 WeakPolarHBondContact O-CA 3.08Å; V600-S603 WeakPolarHBondContact O-CB 3.46Å; V600-S603 PolarHBondContact O-N 3.15Å; L601-S603 VanDerWaalsContact C-N 3.27Å; L601-S603 PolarHBondContact O-N 3.23Å; S603-S606 PolarHBondContact O-N 3.18Å; S603-V607 WeakPolarHBondContact O-CG2 3.42Å; S603-V607 PolarHBondContact O-N 2.92Å
604L93.7Very high92.3Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-61.7-45.5178.8-74.2168.5000112.2L485 F489 P540 N553 I583 I596 V600 L601 S606 V607 F608L485-L604 HydrophobicContact CD1-CD1 4.03Å; L485-L604 HydrophobicContact CD2-CD1 3.81Å; F489-L604 HydrophobicContact CE1-CB 4.48Å; F489-L604 HydrophobicContact CZ-CB 4.11Å; P540-L604 HydrophobicContact CB-CD2 4.46Å; N553-L604 HydrophobicContact CB-CD2 4.35Å; N553-L604 WeakPolarHBondContact OD1-CD2 3.38Å; I583-L604 HydrophobicContact CG2-CD2 4.18Å; I596-L604 HydrophobicContact CD1-CD1 4.06Å; V600-L604 PolarHBondContact O-N 3.36Å; V600-L604 VanDerWaalsContact O-N 3.08Å; L601-L604 WeakPolarHBondContact O-CB 3.22Å; L601-L604 PolarHBondContact O-N 3.19Å; L604-S606 VanDerWaalsContact C-N 3.27Å; L604-S606 PolarHBondContact O-N 3.28Å; L604-V607 PolarHBondContact O-N 3.39Å; L604-F608 VanDerWaalsContact O-CB 3.3Å; L604-F608 WeakPolarHBondContact O-CB 3.41Å; L604-F608 PolarHBondContact O-N 3.14Å
605I94.5Very high92.4Very high1 Ų15.6 Ų5.61%0.0053%0.033CC..Hα-helixtrans-55.6-43.3174.8-77.8169.7000111.4V488 F489 L492 L601 L602 F608 G609 C643 L655V488-I605 HydrophobicContact CG1-CD1 3.84Å; V488-I605 HydrophobicContact CG1-CG1 3.89Å; F489-I605 HydrophobicContact CE1-CG1 4.46Å; L492-I605 HydrophobicContact CD2-CB 4.44Å; L492-I605 HydrophobicContact CD2-CG1 4.48Å; L492-I605 HydrophobicContact CD2-CG2 3.75Å; L601-I605 HydrophobicContact CD1-CD1 4.38Å; L601-I605 HydrophobicContact CD1-CG1 4.49Å; L601-I605 HydrophobicContact CG-CD1 3.99Å; L601-I605 WeakPolarHBondContact O-CG1 3.47Å; L601-I605 PolarHBondContact O-N 3.4Å; L602-I605 HydrophobicContact CD2-CD1 4.45Å; I605-F608 PolarHBondContact O-N 3.47Å; I605-G609 PolarHBondContact O-N 3.36Å; I605-C643 HydrophobicContact CG2-CB 4.04Å; I605-C643 WeakPolarHBondContact CG2-O 3.38Å; I605-L655 HydrophobicContact CD1-CD1 3.91Å
606S92.5Very high92.3Very high3 Ų35.4 Ų5.42%0.0213%0.031CC..Hα-helixtrans-67.2-46-179.9-158.70000111.3F9 L602 S603 L604 F608 G609 T610 P640F9-S606 VanDerWaalsContact CE2-OG 3.24Å; F9-S606 WeakPolarHBondContact CE2-OG 3.32Å; L602-S606 WeakPolarHBondContact O-CB 3.45Å; L602-S606 PolarHBondContact O-N 2.67Å; S603-S606 PolarHBondContact O-N 3.18Å; L604-S606 VanDerWaalsContact C-N 3.27Å; L604-S606 PolarHBondContact O-N 3.28Å; S606-F608 VanDerWaalsContact C-N 3.3Å; S606-F608 PolarHBondContact O-N 2.61Å; S606-G609 WeakPolarHBondContact O-CA 3.41Å; S606-G609 PolarHBondContact O-N 3.02Å; S606-G609 VanDerWaalsContact O-N 3.07Å; S606-T610 PolarHBondContact O-N 3.23Å; S606-P640 VanDerWaalsContact O-CB 3.3Å; S606-P640 WeakPolarHBondContact O-CB 3.26Å; S606-P640 WeakPolarHBondContact OG-CB 3.3Å; S606-P640 PolarHBondContact OG-O 3.3Å
607V92.6Very high92Very high4 Ų45.5 Ų5.52%0.0243%0.032CC..Hα-helixtrans-65-35.4177.6-179.30000111.5F9 N553 F555 I583 S603 L604 G609 T610 C611F9-V607 HydrophobicContact CE1-CG2 4.09Å; F9-V607 HydrophobicContact CZ-CB 4.33Å; F9-V607 HydrophobicContact CZ-CG2 3.83Å; N553-V607 HydrophobicContact CB-CG2 4.04Å; F555-V607 HydrophobicContact CB-CG1 3.98Å; I583-V607 HydrophobicContact CB-CG1 4.4Å; I583-V607 HydrophobicContact CD1-CG1 4.33Å; I583-V607 HydrophobicContact CG1-CG1 4.02Å; I583-V607 HydrophobicContact CG2-CB 4.5Å; I583-V607 HydrophobicContact CG2-CG1 3.91Å; S603-V607 WeakPolarHBondContact O-CG2 3.42Å; S603-V607 PolarHBondContact O-N 2.92Å; L604-V607 PolarHBondContact O-N 3.39Å; V607-G609 VanDerWaalsContact C-N 3.33Å; V607-T610 WeakPolarHBondContact O-CB 3.46Å; V607-T610 PolarHBondContact O-N 3.01Å; V607-C611 PolarHBondContact O-N 3.04Å; V607-C611 PolarHBondContact O-SG 3.31Å
608F95.5Very high91.8Very high0 Ų07.2 Ų7.20%04%0.036CC..Hα-helixtrans-62.5-39.5171.5-176.5-101.5000112.1F489 L492 A493 L500 I536 I538 I583 L604 I605 S606 T610 C611 L612F489-F608 HydrophobicContact CB-CD1 4.33Å; F489-F608 HydrophobicContact CB-CD2 4.3Å; F489-F608 HydrophobicContact CB-CE1 3.97Å; F489-F608 HydrophobicContact CB-CE2 4Å; F489-F608 HydrophobicContact CB-CG 4.48Å; F489-F608 HydrophobicContact CB-CZ 3.84Å; F489-F608 HydrophobicContact CD1-CB 3.9Å; F489-F608 AromaticContact CD1-CD1 3.77Å; F489-F608 HydrophobicContact CD1-CD1 3.77Å; F489-F608 AromaticContact CD1-CD2 3.97Å; F489-F608 HydrophobicContact CD1-CD2 3.97Å; F489-F608 HydrophobicContact CD1-CE1 4.28Å; F489-F608 AromaticContact CD1-CG 3.59Å; F489-F608 HydrophobicContact CD1-CG 3.59Å; F489-F608 HydrophobicContact CD2-CD2 4.25Å; F489-F608 HydrophobicContact CD2-CE2 4.5Å; F489-F608 HydrophobicContact CE1-CB 3.71Å; F489-F608 HydrophobicContact CE1-CD1 4.44Å; F489-F608 HydrophobicContact CE1-CD2 4.35Å; F489-F608 AromaticContact CE1-CG 3.92Å; F489-F608 HydrophobicContact CE1-CG 3.92Å; F489-F608 HydrophobicContact CG-CD1 4.24Å; F489-F608 AromaticContact CG-CD2 3.92Å; F489-F608 HydrophobicContact CG-CD2 3.92Å; F489-F608 HydrophobicContact CG-CE1 4.36Å; F489-F608 HydrophobicContact CG-CE2 4.11Å; F489-F608 HydrophobicContact CG-CG 4.01Å; F489-F608 HydrophobicContact CG-CZ 4.34Å; F489-F608 HydrophobicContact CZ-CB 4.32Å; L492-F608 HydrophobicContact CD2-CD1 3.84Å; L492-F608 HydrophobicContact CD2-CE1 4.42Å; L492-F608 HydrophobicContact CG-CD1 4.46Å; A493-F608 HydrophobicContact CB-CE1 4.34Å; A493-F608 HydrophobicContact CB-CZ 4.39Å; L500-F608 HydrophobicContact CD1-CE2 4.2Å; L500-F608 HydrophobicContact CD1-CZ 3.61Å; L500-F608 HydrophobicContact CD2-CZ 4.16Å; L500-F608 HydrophobicContact CG-CZ 4.47Å; I536-F608 HydrophobicContact CD1-CD2 4.35Å; I536-F608 HydrophobicContact CD1-CE2 3.77Å; I536-F608 HydrophobicContact CD1-CZ 4.37Å; I538-F608 HydrophobicContact CD1-CD2 4.32Å; I583-F608 HydrophobicContact CD1-CB 3.87Å; I583-F608 HydrophobicContact CD1-CD2 3.97Å; I583-F608 HydrophobicContact CD1-CG 4.44Å; L604-F608 VanDerWaalsContact O-CB 3.3Å; L604-F608 WeakPolarHBondContact O-CB 3.41Å; L604-F608 PolarHBondContact O-N 3.14Å; I605-F608 PolarHBondContact O-N 3.47Å; S606-F608 VanDerWaalsContact C-N 3.3Å; S606-F608 PolarHBondContact O-N 2.61Å; F608-T610 VanDerWaalsContact C-N 3.33Å; F608-T610 PolarHBondContact O-N 2.99Å; F608-C611 WeakPolarHBondContact O-CA 3.16Å; F608-C611 WeakPolarHBondContact O-CB 3.38Å; F608-C611 PolarHBondContact O-N 3.05Å; F608-C611 VanDerWaalsContact O-N 3.07Å; F608-L612 HydrophobicContact CD1-CD1 4.01Å; F608-L612 HydrophobicContact CD1-CG 4.12Å; F608-L612 HydrophobicContact CE1-CD1 3.55Å; F608-L612 HydrophobicContact CE1-CD2 4.03Å; F608-L612 HydrophobicContact CE1-CG 3.68Å; F608-L612 HydrophobicContact CZ-CD1 4.24Å; F608-L612 HydrophobicContact CZ-CD2 3.86Å; F608-L612 HydrophobicContact CZ-CG 3.94Å; F608-L612 PolarHBondContact O-N 3.19Å
609G94.1Very high91.5Very high0 Ų07.4 Ų7.40%04%0.037CC..Hα-helixtrans-56-43.5170.700000113.3I605 S606 V607 C611 L612 Q613 M639 C643I605-G609 PolarHBondContact O-N 3.36Å; S606-G609 WeakPolarHBondContact O-CA 3.41Å; S606-G609 PolarHBondContact O-N 3.02Å; S606-G609 VanDerWaalsContact O-N 3.07Å; V607-G609 VanDerWaalsContact C-N 3.33Å; G609-C611 VanDerWaalsContact C-N 3.33Å; G609-C611 PolarHBondContact O-N 3.2Å; G609-L612 PolarHBondContact O-N 2.75Å; G609-Q613 PolarHBondContact O-N 2.84Å; G609-M639 WeakPolarHBondContact O-CG 3.19Å; G609-C643 WeakPolarHBondContact CA-SG 3.46Å
610T91.7Very high91.2Very high15 Ų157 Ų79%0.0924%0.036CC..Hα-helixtrans-63.2-38.6173.4-57.70000112.4F9 F555 S606 V607 F608 Q613 Y614 P640F9-T610 HydrophobicContact CE1-CG2 4.26Å; F9-T610 WeakPolarHBondContact CE1-OG1 3.43Å; F9-T610 WeakPolarHBondContact CZ-OG1 3.35Å; F555-T610 HydrophobicContact CB-CG2 4.11Å; F555-T610 HydrophobicContact CD1-CG2 3.63Å; F555-T610 HydrophobicContact CD2-CG2 4.03Å; F555-T610 HydrophobicContact CE1-CG2 3.97Å; F555-T610 HydrophobicContact CE2-CG2 4.31Å; F555-T610 HydrophobicContact CG-CG2 3.65Å; F555-T610 HydrophobicContact CZ-CG2 4.29Å; S606-T610 PolarHBondContact O-N 3.23Å; V607-T610 WeakPolarHBondContact O-CB 3.46Å; V607-T610 PolarHBondContact O-N 3.01Å; F608-T610 VanDerWaalsContact C-N 3.33Å; F608-T610 PolarHBondContact O-N 2.99Å; T610-Q613 PolarHBondContact O-N 2.93Å; T610-Y614 PolarHBondContact O-N 2.68Å; T610-P640 WeakPolarHBondContact OG1-CB 3.31Å; T610-P640 WeakPolarHBondContact OG1-CG 3.45Å
611C92.9Very high90.9Very high0 Ų07.1 Ų7.10%04%0.035CC..Hα-helixtrans-64.9-44175.6-62.90000111.7I536 F555 I583 V607 F608 G609 Q613 Y614 V615I536-C611 HydrophobicContact CD1-CB 3.59Å; I536-C611 HydrophobicContact CG1-CB 3.96Å; I536-C611 HydrophobicContact CG2-CB 4.08Å; F555-C611 VanDerWaalsContact CD2-SG 3.55Å; I583-C611 WeakPolarHBondContact CG1-SG 3.28Å; V607-C611 PolarHBondContact O-N 3.04Å; V607-C611 PolarHBondContact O-SG 3.31Å; F608-C611 WeakPolarHBondContact O-CA 3.16Å; F608-C611 WeakPolarHBondContact O-CB 3.38Å; F608-C611 PolarHBondContact O-N 3.05Å; F608-C611 VanDerWaalsContact O-N 3.07Å; G609-C611 VanDerWaalsContact C-N 3.33Å; G609-C611 PolarHBondContact O-N 3.2Å; C611-Q613 VanDerWaalsContact C-N 3.35Å; C611-Q613 PolarHBondContact O-N 2.92Å; C611-Y614 WeakPolarHBondContact O-CA 3.3Å; C611-Y614 WeakPolarHBondContact O-CB 3.44Å; C611-Y614 PolarHBondContact O-N 2.79Å; C611-V615 WeakPolarHBondContact O-CG2 3.38Å; C611-V615 PolarHBondContact O-N 3.24Å
612L93.6Very high90.3Very high0 Ų07.3 Ų7.30%04%0.036CC..Hα-helixtrans-57.8-48.1175.1-76.3-178.1000111A493 F496 F498 V524 I536 F608 G609 Y614 V615 S616 M639A493-L612 HydrophobicContact CB-CD2 4.44Å; F496-L612 HydrophobicContact CD2-CD1 4.29Å; F498-L612 HydrophobicContact CD2-CD2 4.16Å; V524-L612 HydrophobicContact CG1-CD2 4.12Å; V524-L612 HydrophobicContact CG2-CD2 4.45Å; I536-L612 HydrophobicContact CD1-CD2 4.25Å; F608-L612 HydrophobicContact CD1-CD1 4.01Å; F608-L612 HydrophobicContact CD1-CG 4.12Å; F608-L612 HydrophobicContact CE1-CD1 3.55Å; F608-L612 HydrophobicContact CE1-CD2 4.03Å; F608-L612 HydrophobicContact CE1-CG 3.68Å; F608-L612 HydrophobicContact CZ-CD1 4.24Å; F608-L612 HydrophobicContact CZ-CD2 3.86Å; F608-L612 HydrophobicContact CZ-CG 3.94Å; F608-L612 PolarHBondContact O-N 3.19Å; G609-L612 PolarHBondContact O-N 2.75Å; L612-Y614 VanDerWaalsContact C-N 3.27Å; L612-Y614 PolarHBondContact O-N 3.32Å; L612-V615 PolarHBondContact O-N 3.15Å; L612-S616 VanDerWaalsContact O-CB 3.25Å; L612-S616 WeakPolarHBondContact O-CB 3.4Å; L612-S616 PolarHBondContact O-N 3Å; L612-S616 PolarHBondContact O-OG 3.49Å; L612-M639 HydrophobicContact CB-CE 4.11Å; L612-M639 HydrophobicContact CD1-CE 3.95Å
613Q91.4Very high89.6Confident11 Ų117.4 Ų7.45%0.0514%0.037CC..Hα-helixtrans-52.8-50.4173-170.3176.25.100109.8G609 T610 C611 Y625 R636 M639 L793G609-Q613 PolarHBondContact O-N 2.84Å; T610-Q613 PolarHBondContact O-N 2.93Å; C611-Q613 VanDerWaalsContact C-N 3.35Å; C611-Q613 PolarHBondContact O-N 2.92Å; Q613-Y625 PolarHBondContact O-OH 3.39Å; Q613-R636 PolarHBondContact OE1-O 3.34Å; Q613-M639 HydrophobicContact CB-CB 4.08Å; Q613-M639 HydrophobicContact CB-CG 4.11Å; Q613-M639 HydrophobicContact CG-CB 4.42Å; Q613-L793 HydrophobicContact CB-CD2 4.01Å; Q613-L793 HydrophobicContact CG-CD2 4.03Å
614Y89.1Confident89Confident10 Ų107.2 Ų7.24%0.0394%0.036CC..Hα-helixtrans-54.3-58.6178.6-164.5-106.5000114.1R118 F555 P557 F559 T560 P579 A581 T610 C611 L612 S616 Y625R118-Y614 PolarHBondContact NH1-OH 3.19Å; F555-Y614 HydrophobicContact CE2-CD1 4.4Å; F555-Y614 HydrophobicContact CE2-CG 4.04Å; F555-Y614 HydrophobicContact CZ-CD1 4.26Å; F555-Y614 AromaticContact CZ-CD2 3.84Å; F555-Y614 HydrophobicContact CZ-CD2 3.84Å; F555-Y614 AromaticContact CZ-CG 3.65Å; F555-Y614 HydrophobicContact CZ-CG 3.65Å; P557-Y614 HydrophobicContact CB-CD1 4.44Å; P557-Y614 HydrophobicContact CB-CD2 4.39Å; P557-Y614 HydrophobicContact CB-CE1 3.88Å; P557-Y614 HydrophobicContact CB-CE2 3.88Å; F559-Y614 VanDerWaalsContact O-CE1 3.3Å; F559-Y614 WeakPolarHBondContact O-CE1 2.93Å; F559-Y614 PolarHBondContact O-OH 3.26Å; T560-Y614 WeakPolarHBondContact CB-OH 3.32Å; P579-Y614 HydrophobicContact CB-CD1 4.08Å; P579-Y614 HydrophobicContact CB-CE1 3.77Å; A581-Y614 HydrophobicContact CB-CD1 3.76Å; A581-Y614 HydrophobicContact CB-CE1 4.37Å; T610-Y614 PolarHBondContact O-N 2.68Å; C611-Y614 WeakPolarHBondContact O-CA 3.3Å; C611-Y614 WeakPolarHBondContact O-CB 3.44Å; C611-Y614 PolarHBondContact O-N 2.79Å; L612-Y614 VanDerWaalsContact C-N 3.27Å; L612-Y614 PolarHBondContact O-N 3.32Å; Y614-S616 VanDerWaalsContact C-N 3.34Å; Y614-S616 PolarHBondContact O-N 3.09Å; Y614-Y625 WeakPolarHBondContact CA-OH 3.4Å; Y614-Y625 HydrophobicContact CD2-CD1 4.36Å; Y614-Y625 AromaticContact CD2-CE1 3.53Å; Y614-Y625 HydrophobicContact CD2-CE1 3.53Å; Y614-Y625 HydrophobicContact CE2-CD1 4.3Å; Y614-Y625 AromaticContact CE2-CE1 3.9Å; Y614-Y625 HydrophobicContact CE2-CE1 3.9Å; Y614-Y625 HydrophobicContact CG-CE1 4.19Å; Y614-Y625 PolarHBondContact N-OH 3.03Å; Y614-Y625 WeakPolarHBondContact O-CE1 3.27Å
615V90.5Very high88Confident0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-77.2-19.4-170.7-58.70000113.9V524 L533 I536 A581 C611 L612V524-V615 HydrophobicContact CB-CG2 3.89Å; V524-V615 HydrophobicContact CG1-CG2 4.15Å; V524-V615 HydrophobicContact CG2-CG2 3.63Å; L533-V615 CarbonylContact C-O 3.53Å; I536-V615 HydrophobicContact CD1-CG2 4.01Å; I536-V615 HydrophobicContact CG1-CG1 3.86Å; I536-V615 HydrophobicContact CG1-CG2 4.15Å; A581-V615 HydrophobicContact CB-CG1 4.41Å; C611-V615 WeakPolarHBondContact O-CG2 3.38Å; C611-V615 PolarHBondContact O-N 3.24Å; L612-V615 PolarHBondContact O-N 3.15Å
616S89.8Confident86.1Confident2 Ų28 Ų81%0.0144%0.039CC..Hα-helixtrans-91.9-8.9-176.361.80000115L612 Y614 R618 L793L612-S616 VanDerWaalsContact O-CB 3.25Å; L612-S616 WeakPolarHBondContact O-CB 3.4Å; L612-S616 PolarHBondContact O-N 3Å; L612-S616 PolarHBondContact O-OG 3.49Å; Y614-S616 VanDerWaalsContact C-N 3.34Å; Y614-S616 PolarHBondContact O-N 3.09Å; S616-R618 VanDerWaalsContact O-CD 3.27Å; S616-R618 WeakPolarHBondContact O-CD 3.35Å; S616-R618 PolarHBondContact O-NE 3.36Å; S616-L793 CarbonylContact C-O 3.53Å; S616-L793 WeakPolarHBondContact OG-CB 3.34Å
617C87.4Confident84.3Confident6 Ų69.3 Ų9.34%0.0414%0.044CC..  trans-60.7137.4-179.8-172.80000113.1V619 Y625 L793C617-V619 VanDerWaalsContact SG-CG2 3.58Å; C617-Y625 HydrophobicContact CB-CD1 3.53Å; C617-Y625 HydrophobicContact CB-CD2 3.76Å; C617-Y625 HydrophobicContact CB-CE1 3.35Å; C617-Y625 HydrophobicContact CB-CE2 3.58Å; C617-Y625 HydrophobicContact CB-CG 3.72Å; C617-Y625 WeakPolarHBondContact SG-CD2 3.48Å; C617-L793 WeakPolarHBondContact CA-O 3.45Å; C617-L793 PolarHBondContact N-O 3.02Å
618R86.9Confident82.3Confident56 Ų5611.3 Ų11.321%0.2116%0.057CC..  trans-109.2-1.2-174.1-56-47.8-164.1158.119.9114.5D526 L533 S616 P620 T794D526-R618 IonicContact OD2-NH2 3.5Å; L533-R618 VanDerWaalsContact CD2-NH1 3.35Å; S616-R618 VanDerWaalsContact O-CD 3.27Å; S616-R618 WeakPolarHBondContact O-CD 3.35Å; S616-R618 PolarHBondContact O-NE 3.36Å; R618-P620 WeakPolarHBondContact O-CD 3.32Å; R618-T794 HydrophobicContact CB-CG2 3.87Å; R618-T794 HydrophobicContact CG-CG2 3.79Å; R618-T794 PolarHBondContact N-O 2.85Å
619V85.4Confident80.4Confident5 Ų515.9 Ų15.93%0.038%0.078CC..  trans-58.7123.3178.3-176.90000109.1Y173 C617 H621 L624 Y795 A798Y173-V619 HydrophobicContact CD1-CB 4.35Å; Y173-V619 HydrophobicContact CD1-CG1 4.08Å; Y173-V619 HydrophobicContact CD1-CG2 4.04Å; Y173-V619 HydrophobicContact CE1-CG2 4Å; C617-V619 VanDerWaalsContact SG-CG2 3.58Å; V619-H621 HydrophobicContact CG1-CB 4.34Å; V619-H621 PolarHBondContact O-N 3.04Å; V619-L624 HydrophobicContact CG1-CB 3.72Å; V619-L624 HydrophobicContact CG1-CD1 3.74Å; V619-L624 HydrophobicContact CG1-CG 4.37Å; V619-Y795 WeakPolarHBondContact CG2-O 3.27Å; V619-A798 HydrophobicContact CG1-CB 4.4Å; V619-A798 HydrophobicContact CG2-CB 4.07Å
620P84Confident78.8Confident19 Ų1917.8 Ų17.812%0.1239%0.086CC..SBendtrans-73.3-17.6-177.129.8-35.5000113Y173 N563 R618Y173-P620 HydrophobicContact CD2-CG 4.05Å; Y173-P620 HydrophobicContact CG-CG 4.09Å; N563-P620 HydrophobicContact CB-CB 4.37Å; N563-P620 WeakPolarHBondContact ND2-CB 3.32Å; R618-P620 WeakPolarHBondContact O-CD 3.32Å
621H85.3Confident77.8Confident14 Ų1417.6 Ų17.67%0.0658%0.084CC..  trans-98.4120.4-177.3-52.8-65.9000111.7E107 E174 L177 V619 E623 L624E107-H621 VanDerWaalsContact OE1-CA 3.25Å; E107-H621 WeakPolarHBondContact OE1-CA 3.17Å; E107-H621 WeakPolarHBondContact OE1-CB 3.44Å; E107-H621 IonicContact OE1-CG 3.62Å; E107-H621 IonicContact OE1-ND1 2.72Å; E107-H621 IonicContact OE2-CE1 3.74Å; E107-H621 IonicContact OE2-CG 2.95Å; E107-H621 IonicContact OE2-ND1 3.3Å; E107-H621 PolarHBondContact OE2-ND1 2.83Å; E174-H621 WeakPolarHBondContact CG-NE2 3.46Å; L177-H621 HydrophobicContact CD1-CB 4.42Å; L177-H621 HydrophobicContact CD2-CB 3.96Å; V619-H621 HydrophobicContact CG1-CB 4.34Å; V619-H621 PolarHBondContact O-N 3.04Å; H621-E623 VanDerWaalsContact C-N 3.29Å; H621-E623 PolarHBondContact O-N 3.42Å; H621-L624 HydrophobicContact CB-CD1 4.31Å; H621-L624 PolarHBondContact O-N 3.08Å
622H81.2Confident77.2Confident3 Ų317.9 Ų17.91%0.0149%0.087CC..SBendtrans-66.9-28.2-172.166.2-80.6000113.2E107 F111 E114 T560 Y625 G626E107-H622 PolarHBondContact O-CE1 3.19Å; E107-H622 IonicContact OE1-CE1 3.6Å; E107-H622 PolarHBondContact OE1-N 2.99Å; E107-H622 IonicContact OE1-ND1 2.77Å; E107-H622 PolarHBondContact OE1-ND1 2.69Å; F111-H622 WeakPolarHBondContact CA-NE2 3.5Å; F111-H622 HydrophobicContact CD2-CB 4.09Å; F111-H622 AromaticContact CD2-CD2 3.75Å; F111-H622 AromaticContact CD2-CG 3.73Å; F111-H622 HydrophobicContact CE2-CB 4.49Å; F111-H622 PolarHBondContact N-NE2 3Å; E114-H622 IonicContact OE2-CD2 3.56Å; E114-H622 PolarHBondContact OE2-CD2 3.09Å; E114-H622 IonicContact OE2-NE2 3.98Å; E114-H622 PolarHBondContact OE2-NE2 3.41Å; T560-H622 HydrophobicContact CG2-CB 4.01Å; H622-Y625 PolarHBondContact O-N 3.14Å; H622-G626 VanDerWaalsContact O-CA 3.3Å; H622-G626 WeakPolarHBondContact O-CA 3.33Å; H622-G626 PolarHBondContact O-N 2.8Å
623E78.6Confident76.6Confident2 Ų218.3 Ų18.31%0.0099%0.089CC..Hα-helixtrans-66.2-41.6179.6-64.2-155.4-170.700111.7S110 R147 L177 W181 H621 Y625 Y630S110-E623 WeakPolarHBondContact CB-OE1 3.33Å; S110-E623 PolarHBondContact OG-OE1 3.36Å; R147-E623 IonicContact NH2-OE1 3.25Å; R147-E623 PolarHBondContact NH2-OE1 3.06Å; L177-E623 HydrophobicContact CD1-CB 4Å; W181-E623 PolarHBondContact NE1-OE2 3.42Å; H621-E623 VanDerWaalsContact C-N 3.29Å; H621-E623 PolarHBondContact O-N 3.42Å; E623-Y625 PolarHBondContact O-N 2.84Å; E623-Y630 HydrophobicContact CB-CE2 4.48Å; E623-Y630 WeakPolarHBondContact O-CD2 3.43Å
624L78.3Confident76.1Confident1 Ų117.8 Ų17.81%0.0059%0.086CC..Hα-helixtrans-67.6-10.3-177.6-72178.2000114.9L177 V180 V619 H621 S797 A798L177-L624 HydrophobicContact CB-CD1 3.94Å; L177-L624 HydrophobicContact CB-CG 4.24Å; L177-L624 HydrophobicContact CD1-CD2 4.4Å; L177-L624 HydrophobicContact CD1-CG 4Å; V180-L624 HydrophobicContact CG2-CD2 4Å; V619-L624 HydrophobicContact CG1-CB 3.72Å; V619-L624 HydrophobicContact CG1-CD1 3.74Å; V619-L624 HydrophobicContact CG1-CG 4.37Å; H621-L624 HydrophobicContact CB-CD1 4.31Å; H621-L624 PolarHBondContact O-N 3.08Å; L624-S797 WeakPolarHBondContact O-CB 3.34Å; L624-S797 PolarHBondContact O-N 2.82Å; L624-S797 PolarHBondContact O-OG 2.84Å; L624-A798 HydrophobicContact CD1-CB 3.9Å
625Y73.1Confident75.9Confident15 Ų1517.6 Ų17.66%0.0599%0.086CC..Hα-helixtrans-138.1-34.7-174.6-165.1-106000115.2Q613 Y614 C617 H622 E623 F627 I631Q613-Y625 PolarHBondContact O-OH 3.39Å; Y614-Y625 WeakPolarHBondContact CA-OH 3.4Å; Y614-Y625 HydrophobicContact CD2-CD1 4.36Å; Y614-Y625 AromaticContact CD2-CE1 3.53Å; Y614-Y625 HydrophobicContact CD2-CE1 3.53Å; Y614-Y625 HydrophobicContact CE2-CD1 4.3Å; Y614-Y625 AromaticContact CE2-CE1 3.9Å; Y614-Y625 HydrophobicContact CE2-CE1 3.9Å; Y614-Y625 HydrophobicContact CG-CE1 4.19Å; Y614-Y625 PolarHBondContact N-OH 3.03Å; Y614-Y625 WeakPolarHBondContact O-CE1 3.27Å; C617-Y625 HydrophobicContact CB-CD1 3.53Å; C617-Y625 HydrophobicContact CB-CD2 3.76Å; C617-Y625 HydrophobicContact CB-CE1 3.35Å; C617-Y625 HydrophobicContact CB-CE2 3.58Å; C617-Y625 HydrophobicContact CB-CG 3.72Å; C617-Y625 WeakPolarHBondContact SG-CD2 3.48Å; H622-Y625 PolarHBondContact O-N 3.14Å; E623-Y625 PolarHBondContact O-N 2.84Å; Y625-F627 VanDerWaalsContact C-N 3.31Å; Y625-F627 PolarHBondContact O-N 2.79Å; Y625-I631 HydrophobicContact CD2-CD1 4Å; Y625-I631 HydrophobicContact CD2-CG1 4.48Å; Y625-I631 HydrophobicContact CE2-CD1 3.67Å
626G55Low75.6Confident1 Ų118.5 Ų18.51%0.019%0.09CC..Hα-helixtrans-61.8-40.8-179.700000111.5R118 H622 P628R118-G626 PolarHBondContact NH1-O 3.35Å; R118-G626 PolarHBondContact NH2-O 3.1Å; H622-G626 VanDerWaalsContact O-CA 3.3Å; H622-G626 WeakPolarHBondContact O-CA 3.33Å; H622-G626 PolarHBondContact O-N 2.8Å; G626-P628 WeakPolarHBondContact O-CD 3.43Å
627F54.3Low75.4Confident31 Ų3118.9 Ų18.914%0.1369%0.091CC..SBendtrans-97.4114.3-178.2-70.3-91.4000108.9E114 Y625 H629 Y630E114-F627 HydrophobicContact CB-CE2 3.49Å; E114-F627 VanDerWaalsContact CB-CE2 3.49Å; E114-F627 HydrophobicContact CB-CZ 3.44Å; E114-F627 VanDerWaalsContact CB-CZ 3.44Å; E114-F627 HydrophobicContact CG-CE2 3.54Å; E114-F627 HydrophobicContact CG-CZ 3.56Å; E114-F627 WeakPolarHBondContact OE2-CE2 3.46Å; Y625-F627 VanDerWaalsContact C-N 3.31Å; Y625-F627 PolarHBondContact O-N 2.79Å; F627-H629 PolarHBondContact O-N 3.25Å; F627-Y630 HydrophobicContact CB-CD2 3.83Å; F627-Y630 HydrophobicContact CB-CE2 4.07Å; F627-Y630 PolarHBondContact O-N 3.06Å
628P50.9Low75.6Confident46 Ų4618.6 Ų18.630%0.2999%0.089SC..THydrogen-bonded Turntrans-55.7-21.6-178.219.3-30.2000111.9G626 Y630 I631 R636G626-P628 WeakPolarHBondContact O-CD 3.43Å; P628-Y630 VanDerWaalsContact C-N 3.27Å; P628-Y630 PolarHBondContact O-N 3.24Å; P628-I631 PolarHBondContact O-N 2.85Å; P628-I631 VanDerWaalsContact O-N 3.16Å; P628-I631 VanDerWaalsContact O-O 3.11Å; P628-R636 PolarHBondContact O-NE 2.88Å; P628-R636 PolarHBondContact O-NH2 2.74Å
629H55Low75.8Confident97 Ų9716 Ų1645%0.4498%0.079SC..THydrogen-bonded Turntrans-58.6-29.7176.4-54.1-31.8000114.7F627F627-H629 PolarHBondContact O-N 3.25Å
630Y59.7Low76.1Confident39 Ų3915.8 Ų15.815%0.1538%0.078CC..THydrogen-bonded Turntrans-81.8-24.6176.3-65.3-68.6000112.9V180 E623 F627 P628 A632 S797V180-Y630 HydrophobicContact CG1-CD1 3.42Å; V180-Y630 VanDerWaalsContact CG1-CD1 3.42Å; V180-Y630 HydrophobicContact CG1-CE1 3.2Å; E623-Y630 HydrophobicContact CB-CE2 4.48Å; E623-Y630 WeakPolarHBondContact O-CD2 3.43Å; F627-Y630 HydrophobicContact CB-CD2 3.83Å; F627-Y630 HydrophobicContact CB-CE2 4.07Å; F627-Y630 PolarHBondContact O-N 3.06Å; P628-Y630 VanDerWaalsContact C-N 3.27Å; P628-Y630 PolarHBondContact O-N 3.24Å; Y630-A632 PolarHBondContact O-N 3.07Å; Y630-S797 WeakPolarHBondContact O-CB 3.5Å; Y630-S797 PolarHBondContact O-OG 3.15Å
631I71.6Confident76.4Confident12 Ų1215 Ų156%0.0627%0.072CC..SBendtrans-72.1115.7170.2-54.4171.1000107.2Y625 P628 L633 R636 S797Y625-I631 HydrophobicContact CD2-CD1 4Å; Y625-I631 HydrophobicContact CD2-CG1 4.48Å; Y625-I631 HydrophobicContact CE2-CD1 3.67Å; P628-I631 PolarHBondContact O-N 2.85Å; P628-I631 VanDerWaalsContact O-N 3.16Å; P628-I631 VanDerWaalsContact O-O 3.11Å; I631-L633 PolarHBondContact O-N 2.75Å; I631-R636 HydrophobicContact CB-CB 4.45Å; I631-R636 HydrophobicContact CB-CG 4.5Å; I631-R636 HydrophobicContact CG2-CB 3.85Å; I631-R636 HydrophobicContact CG2-CG 4.26Å; I631-R636 PolarHBondContact O-NE 3.19Å; I631-R636 PolarHBondContact O-NH2 3.49Å; I631-S797 WeakPolarHBondContact CA-OG 3.38Å; I631-S797 WeakPolarHBondContact CG1-OG 3.36Å; I631-S797 PolarHBondContact N-OG 3.11Å
632A79.8Confident76.8Confident6 Ų614.3 Ų14.35%0.057%0.07CC..  trans-46.8134.717600000110.8Y401 Y630 D634 T635 R636 P801Y401-A632 WeakPolarHBondContact O-CB 3.5Å; Y630-A632 PolarHBondContact O-N 3.07Å; A632-D634 PolarHBondContact O-N 3.34Å; A632-D634 VanDerWaalsContact O-N 3.1Å; A632-T635 PolarHBondContact O-N 2.89Å; A632-T635 PolarHBondContact O-OG1 3.46Å; A632-R636 WeakPolarHBondContact O-CB 3.4Å; A632-R636 PolarHBondContact O-N 3.45Å; A632-P801 HydrophobicContact CB-CB 4.29Å; A632-P801 HydrophobicContact CB-CG 3.26Å
633L81Confident77.4Confident9 Ų914.2 Ų14.25%0.0477%0.069CC..Hα-helixtrans-57.1-30.7-179-74168.6000112.4I631 T635 Y637 I744 L747 Y750I631-L633 PolarHBondContact O-N 2.75Å; L633-T635 VanDerWaalsContact C-N 3.32Å; L633-T635 PolarHBondContact O-N 3.32Å; L633-Y637 HydrophobicContact CD2-CE2 4.42Å; L633-I744 HydrophobicContact CD1-CB 4.07Å; L633-I744 HydrophobicContact CD1-CD1 3.87Å; L633-I744 HydrophobicContact CD1-CG2 3.62Å; L633-L747 HydrophobicContact CD1-CB 3.9Å; L633-L747 HydrophobicContact CD1-CD1 4.04Å; L633-Y750 HydrophobicContact CB-CD2 4.2Å; L633-Y750 HydrophobicContact CB-CG 3.96Å
634D81.5Confident78Confident0 Ų014.1 Ų14.10%07%0.069CC..Hα-helixtrans-59.5-37.9177.6-63.4-4.1000113.1S404 A632 Y749 Y750S404-D634 WeakPolarHBondContact CB-OD2 3.49Å; S404-D634 PolarHBondContact N-OD2 2.98Å; S404-D634 VanDerWaalsContact OG-CB 3.28Å; S404-D634 WeakPolarHBondContact OG-CB 3.48Å; S404-D634 PolarHBondContact OG-OD2 3.26Å; A632-D634 PolarHBondContact O-N 3.34Å; A632-D634 VanDerWaalsContact O-N 3.1Å; D634-Y749 PolarHBondContact OD2-OH 2.87Å; D634-Y750 WeakPolarHBondContact OD1-CB 3.19Å
635T85.6Confident78.6Confident6 Ų614.1 Ų14.14%0.0377%0.068CC..Hα-helixtrans-106.4-22.2-173.759.30000113.2A632 L633 Y637 V638 L757 Y792 P801 L804A632-T635 PolarHBondContact O-N 2.89Å; A632-T635 PolarHBondContact O-OG1 3.46Å; L633-T635 VanDerWaalsContact C-N 3.32Å; L633-T635 PolarHBondContact O-N 3.32Å; T635-Y637 PolarHBondContact O-N 3.18Å; T635-V638 WeakPolarHBondContact O-CB 3.14Å; T635-V638 WeakPolarHBondContact O-CG2 3.47Å; T635-V638 PolarHBondContact O-N 3.45Å; T635-V638 VanDerWaalsContact O-N 3.08Å; T635-L757 HydrophobicContact CG2-CD2 4.31Å; T635-Y792 HydrophobicContact CG2-CE1 3.93Å; T635-P801 HydrophobicContact CG2-CB 3.83Å; T635-P801 HydrophobicContact CG2-CG 4.49Å; T635-L804 HydrophobicContact CG2-CD2 4.46Å
636R84.2Confident79.4Confident19 Ų1913.4 Ų13.47%0.0727%0.066CC..Hα-helixtrans-51.9-35.1-175.1-171.8-176.1-60.9157.410.9114.3Q613 P628 I631 A632Q613-R636 PolarHBondContact OE1-O 3.34Å; P628-R636 PolarHBondContact O-NE 2.88Å; P628-R636 PolarHBondContact O-NH2 2.74Å; I631-R636 HydrophobicContact CB-CB 4.45Å; I631-R636 HydrophobicContact CB-CG 4.5Å; I631-R636 HydrophobicContact CG2-CB 3.85Å; I631-R636 HydrophobicContact CG2-CG 4.26Å; I631-R636 PolarHBondContact O-NE 3.19Å; I631-R636 PolarHBondContact O-NH2 3.49Å; A632-R636 WeakPolarHBondContact O-CB 3.4Å; A632-R636 PolarHBondContact O-N 3.45Å
637Y85.2Confident81.1Confident10 Ų1013.4 Ų13.44%0.0397%0.066CC..THydrogen-bonded Turntrans-108.711.2-174.1-50-61.1000113.2F9 P11 L633 T635 P640 D641 Y750 R754F9-Y637 HydrophobicContact CB-CD1 3.28Å; F9-Y637 HydrophobicContact CB-CE1 3.37Å; F9-Y637 HydrophobicContact CB-CG 4.18Å; F9-Y637 AromaticContact CG-CD1 3.96Å; F9-Y637 HydrophobicContact CG-CD1 3.96Å; F9-Y637 HydrophobicContact CG-CE1 4.36Å; F9-Y637 VanDerWaalsContact O-CE1 3.26Å; F9-Y637 WeakPolarHBondContact O-CE1 3.32Å; F9-Y637 PolarHBondContact O-OH 2.9Å; P11-Y637 WeakPolarHBondContact CD-OH 3.44Å; L633-Y637 HydrophobicContact CD2-CE2 4.42Å; T635-Y637 PolarHBondContact O-N 3.18Å; Y637-P640 WeakPolarHBondContact O-CD 3.36Å; Y637-P640 VanDerWaalsContact O-CG 3.31Å; Y637-P640 WeakPolarHBondContact O-CG 3.28Å; Y637-D641 VanDerWaalsContact O-CB 3.29Å; Y637-D641 WeakPolarHBondContact O-CB 3.17Å; Y637-D641 PolarHBondContact O-N 3.04Å; Y637-Y750 HydrophobicContact CD2-CD2 4.25Å; Y637-Y750 AromaticContact CD2-CE2 3.91Å; Y637-Y750 HydrophobicContact CD2-CE2 3.91Å; Y637-Y750 HydrophobicContact CE2-CD2 4.25Å; Y637-Y750 AromaticContact CE2-CE2 3.69Å; Y637-Y750 HydrophobicContact CE2-CE2 3.69Å; Y637-R754 VanDerWaalsContact CD2-NH1 3.28Å
638V90.3Very high82.7Confident0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-67-43.9-179.2174.30000111.3T635 D641 L642 R754 L757 I758 I761 F788 Y792T635-V638 WeakPolarHBondContact O-CB 3.14Å; T635-V638 WeakPolarHBondContact O-CG2 3.47Å; T635-V638 PolarHBondContact O-N 3.45Å; T635-V638 VanDerWaalsContact O-N 3.08Å; V638-D641 PolarHBondContact O-N 3.41Å; V638-L642 WeakPolarHBondContact O-CB 3.38Å; V638-L642 PolarHBondContact O-N 2.91Å; V638-R754 HydrophobicContact CG2-CG 4.41Å; V638-L757 HydrophobicContact CG2-CD2 3.37Å; V638-L757 HydrophobicContact CG2-CG 4.19Å; V638-I758 HydrophobicContact CB-CD1 4.44Å; V638-I758 HydrophobicContact CG1-CD1 3.82Å; V638-I758 WeakPolarHBondContact O-CD1 3.02Å; V638-I761 HydrophobicContact CG1-CD1 3.43Å; V638-I761 VanDerWaalsContact CG1-CD1 3.43Å; V638-F788 HydrophobicContact CG1-CE2 3.99Å; V638-F788 HydrophobicContact CG1-CZ 3.94Å; V638-Y792 HydrophobicContact CG1-CD1 4.43Å; V638-Y792 HydrophobicContact CG1-CE1 4.34Å; V638-Y792 HydrophobicContact CG2-CE1 4.44Å
639M92.6Very high84.3Confident2 Ų213 Ų131%0.016%0.061CC..Hα-helixtrans-63.5-50.6179.7-175.857.7172.100113.7F496 G609 L612 Q613 D641 L642 C643 F788 L793F496-M639 HydrophobicContact CD1-CE 3.88Å; F496-M639 HydrophobicContact CD1-SD 4.43Å; F496-M639 HydrophobicContact CD2-CE 3.48Å; F496-M639 VanDerWaalsContact CD2-CE 3.48Å; F496-M639 HydrophobicContact CE1-CE 3.74Å; F496-M639 HydrophobicContact CE1-SD 3.87Å; F496-M639 HydrophobicContact CE2-CE 3.34Å; F496-M639 HydrophobicContact CE2-SD 4.23Å; F496-M639 HydrophobicContact CG-CE 3.76Å; F496-M639 HydrophobicContact CZ-CE 3.47Å; F496-M639 VanDerWaalsContact CZ-CE 3.47Å; F496-M639 HydrophobicContact CZ-SD 3.75Å; G609-M639 WeakPolarHBondContact O-CG 3.19Å; L612-M639 HydrophobicContact CB-CE 4.11Å; L612-M639 HydrophobicContact CD1-CE 3.95Å; Q613-M639 HydrophobicContact CB-CB 4.08Å; Q613-M639 HydrophobicContact CB-CG 4.11Å; Q613-M639 HydrophobicContact CG-CB 4.42Å; M639-D641 VanDerWaalsContact C-N 3.26Å; M639-D641 PolarHBondContact O-N 3.17Å; M639-L642 PolarHBondContact O-N 2.69Å; M639-C643 VanDerWaalsContact CE-SG 3.54Å; M639-C643 WeakPolarHBondContact O-CB 3.44Å; M639-C643 PolarHBondContact O-N 3.21Å; M639-C643 PolarHBondContact O-SG 3.23Å; M639-F788 HydrophobicContact SD-CE1 3.65Å; M639-F788 HydrophobicContact SD-CZ 4.39Å; M639-L793 HydrophobicContact CB-CD2 4.15Å; M639-L793 HydrophobicContact CE-CD1 3.94Å; M639-L793 HydrophobicContact CE-CD2 4.31Å; M639-L793 HydrophobicContact CG-CD2 3.86Å; M639-L793 HydrophobicContact SD-CD1 4.37Å; M639-L793 HydrophobicContact SD-CD2 3.89Å
640P92.1Very high85.6Confident0 Ų08.8 Ų8.80%04%0.041CC..Hα-helixtrans-60.1-37.1175.417.7-29.3000112.8F9 S606 T610 Y637 Y644F9-P640 HydrophobicContact CD2-CB 3.68Å; F9-P640 HydrophobicContact CD2-CG 3.84Å; F9-P640 HydrophobicContact CE1-CB 4.25Å; F9-P640 HydrophobicContact CE2-CB 3.19Å; F9-P640 HydrophobicContact CE2-CG 3.87Å; F9-P640 HydrophobicContact CG-CB 4.46Å; F9-P640 HydrophobicContact CG-CG 4.3Å; F9-P640 HydrophobicContact CZ-CB 3.49Å; F9-P640 VanDerWaalsContact CZ-CB 3.49Å; F9-P640 HydrophobicContact CZ-CG 4.21Å; S606-P640 VanDerWaalsContact O-CB 3.3Å; S606-P640 WeakPolarHBondContact O-CB 3.26Å; S606-P640 WeakPolarHBondContact OG-CB 3.3Å; S606-P640 PolarHBondContact OG-O 3.3Å; T610-P640 WeakPolarHBondContact OG1-CB 3.31Å; T610-P640 WeakPolarHBondContact OG1-CG 3.45Å; Y637-P640 WeakPolarHBondContact O-CD 3.36Å; Y637-P640 VanDerWaalsContact O-CG 3.31Å; Y637-P640 WeakPolarHBondContact O-CG 3.28Å; P640-Y644 VanDerWaalsContact O-CB 3.25Å; P640-Y644 WeakPolarHBondContact O-CB 3.12Å; P640-Y644 PolarHBondContact O-N 3.27Å
641D90.3Very high86.6Confident1 Ų17.3 Ų7.31%0.0054%0.037CC..Hα-helixtrans-65.7-43.6176.4-76.818.3000111.3L5 Y637 V638 M639 Y644 N645 R754 I758L5-D641 HydrophobicContact CD1-CB 4.12Å; L5-D641 WeakPolarHBondContact CD1-OD2 3.46Å; L5-D641 VanDerWaalsContact CD2-CA 3.5Å; L5-D641 HydrophobicContact CD2-CB 3.6Å; L5-D641 WeakPolarHBondContact CD2-OD1 3.28Å; L5-D641 HydrophobicContact CG-CB 4.36Å; Y637-D641 VanDerWaalsContact O-CB 3.29Å; Y637-D641 WeakPolarHBondContact O-CB 3.17Å; Y637-D641 PolarHBondContact O-N 3.04Å; V638-D641 PolarHBondContact O-N 3.41Å; M639-D641 VanDerWaalsContact C-N 3.26Å; M639-D641 PolarHBondContact O-N 3.17Å; D641-Y644 PolarHBondContact O-N 3.19Å; D641-N645 PolarHBondContact O-N 3.41Å; D641-N645 PolarHBondContact O-ND2 3.46Å; D641-R754 IonicContact OD1-CZ 3.99Å; D641-R754 IonicContact OD1-NE 2.83Å; D641-R754 IonicContact OD1-NH2 3.19Å; D641-R754 VanDerWaalsContact OD2-CD 3.24Å; D641-R754 WeakPolarHBondContact OD2-CD 3.39Å; D641-R754 IonicContact OD2-CZ 2.79Å; D641-R754 VanDerWaalsContact OD2-CZ 3.26Å; D641-R754 IonicContact OD2-NE 2.68Å; D641-R754 PolarHBondContact OD2-NE 3.02Å; D641-R754 IonicContact OD2-NH2 3.91Å; D641-R754 PolarHBondContact OD2-NH2 3.48Å; D641-I758 HydrophobicContact CB-CD1 3.67Å; D641-I758 HydrophobicContact CB-CG1 3.88Å
642L93.3Very high87.3Confident1 Ų16.9 Ų6.91%0.0053%0.034CC..Hα-helixtrans-62.8-50176.5-179.259.3000110.6F496 V638 M639 Y644 N645 I646 I758 I761 L762 L765 F788F496-L642 HydrophobicContact CE1-CD2 3.8Å; F496-L642 HydrophobicContact CZ-CD2 3.95Å; F496-L642 HydrophobicContact CZ-CG 4.23Å; V638-L642 WeakPolarHBondContact O-CB 3.38Å; V638-L642 PolarHBondContact O-N 2.91Å; M639-L642 PolarHBondContact O-N 2.69Å; L642-Y644 VanDerWaalsContact C-N 3.3Å; L642-Y644 PolarHBondContact O-N 2.95Å; L642-N645 CarbonylContact O-C 3.49Å; L642-N645 WeakPolarHBondContact O-CA 3.43Å; L642-N645 WeakPolarHBondContact O-CB 3.48Å; L642-N645 PolarHBondContact O-N 3.07Å; L642-I646 HydrophobicContact CD1-CG1 4.48Å; L642-I646 HydrophobicContact CG-CD1 4.42Å; L642-I646 HydrophobicContact CG-CG1 4.38Å; L642-I646 WeakPolarHBondContact O-CG1 3.25Å; L642-I646 PolarHBondContact O-N 3.16Å; L642-I758 HydrophobicContact CB-CD1 4.28Å; L642-I761 HydrophobicContact CD1-CG2 4.21Å; L642-I761 HydrophobicContact CD2-CG2 4.29Å; L642-L762 HydrophobicContact CD1-CD2 3.96Å; L642-L765 HydrophobicContact CD1-CD1 4.32Å; L642-F788 HydrophobicContact CD2-CD1 4.07Å; L642-F788 HydrophobicContact CD2-CD2 4.16Å; L642-F788 HydrophobicContact CD2-CE1 3.81Å; L642-F788 HydrophobicContact CD2-CE2 3.9Å; L642-F788 HydrophobicContact CD2-CG 4.24Å; L642-F788 HydrophobicContact CD2-CZ 3.71Å
643C94Very high87.7Confident0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-56.2-44.4176.4-71.40000112.1L492 I605 G609 M639 N645 I646 G647L492-C643 HydrophobicContact CD2-CB 4.29Å; I605-C643 HydrophobicContact CG2-CB 4.04Å; I605-C643 WeakPolarHBondContact CG2-O 3.38Å; G609-C643 WeakPolarHBondContact CA-SG 3.46Å; M639-C643 VanDerWaalsContact CE-SG 3.54Å; M639-C643 WeakPolarHBondContact O-CB 3.44Å; M639-C643 PolarHBondContact O-N 3.21Å; M639-C643 PolarHBondContact O-SG 3.23Å; C643-N645 VanDerWaalsContact C-N 3.29Å; C643-N645 PolarHBondContact O-N 3.21Å; C643-I646 WeakPolarHBondContact O-CB 3.44Å; C643-I646 PolarHBondContact O-N 3.49Å; C643-G647 PolarHBondContact O-N 2.82Å
644Y91.1Very high88Confident1 Ų110.5 Ų10.50%0.0046%0.058CC..Hα-helixtrans-57.7-43.6174.1176.5-82.5000111.2L4 L5 L602 P640 D641 L642 G647 Y648L4-Y644 HydrophobicContact CB-CD2 4.21Å; L4-Y644 HydrophobicContact CB-CE1 3.79Å; L4-Y644 HydrophobicContact CB-CE2 3.36Å; L4-Y644 VanDerWaalsContact CB-OH 3.27Å; L4-Y644 WeakPolarHBondContact CB-OH 3.44Å; L4-Y644 HydrophobicContact CD1-CE2 4.05Å; L4-Y644 WeakPolarHBondContact CD1-OH 3.28Å; L4-Y644 HydrophobicContact CD2-CE2 4.08Å; L4-Y644 HydrophobicContact CG-CE2 3.98Å; L4-Y644 WeakPolarHBondContact CG-OH 3.31Å; L5-Y644 HydrophobicContact CD2-CD1 3.79Å; L5-Y644 HydrophobicContact CD2-CG 4.04Å; L602-Y644 HydrophobicContact CB-CD2 3.9Å; L602-Y644 HydrophobicContact CB-CE2 3.53Å; L602-Y644 HydrophobicContact CD1-CE2 3.79Å; L602-Y644 HydrophobicContact CD2-CE2 4.48Å; L602-Y644 HydrophobicContact CG-CE2 4.16Å; P640-Y644 VanDerWaalsContact O-CB 3.25Å; P640-Y644 WeakPolarHBondContact O-CB 3.12Å; P640-Y644 PolarHBondContact O-N 3.27Å; D641-Y644 PolarHBondContact O-N 3.19Å; L642-Y644 VanDerWaalsContact C-N 3.3Å; L642-Y644 PolarHBondContact O-N 2.95Å; Y644-G647 PolarHBondContact O-N 3.13Å; Y644-Y648 HydrophobicContact CE1-CD2 4.37Å; Y644-Y648 HydrophobicContact CE1-CG 4.31Å; Y644-Y648 VanDerWaalsContact O-CB 3.25Å; Y644-Y648 WeakPolarHBondContact O-CB 3.47Å; Y644-Y648 PolarHBondContact O-N 3.21Å; Y644-Y648 VanDerWaalsContact OH-CD2 3.3Å; Y644-Y648 WeakPolarHBondContact OH-CD2 3.37Å
645N90.3Very high88.3Confident0 Ų010.5 Ų10.50%06%0.058CC..Hα-helixtrans-66-39.4176.5-78-66.9000113.1M1 D641 L642 C643 N649 L762M1-N645 HydrophobicContact CE-CB 4.4Å; M1-N645 WeakPolarHBondContact CE-OD1 3.15Å; M1-N645 WeakPolarHBondContact CG-OD1 3.31Å; M1-N645 PolarHBondContact SD-OD1 2.92Å; D641-N645 PolarHBondContact O-N 3.41Å; D641-N645 PolarHBondContact O-ND2 3.46Å; L642-N645 CarbonylContact O-C 3.49Å; L642-N645 WeakPolarHBondContact O-CA 3.43Å; L642-N645 WeakPolarHBondContact O-CB 3.48Å; L642-N645 PolarHBondContact O-N 3.07Å; C643-N645 VanDerWaalsContact C-N 3.29Å; C643-N645 PolarHBondContact O-N 3.21Å; N645-N649 WeakPolarHBondContact O-CB 3.3Å; N645-N649 PolarHBondContact O-N 2.97Å; N645-N649 PolarHBondContact O-ND2 2.65Å; N645-L762 HydrophobicContact CB-CD1 4.46Å; N645-L762 HydrophobicContact CB-CD2 4.24Å
646I90.7Very high88.2Confident0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-58.3-51.6173.7-50-143.6000109.6L492 V495 F496 L642 C643 Y650 A651 I652 W770 F785L492-I646 HydrophobicContact CD1-CB 4.22Å; L492-I646 HydrophobicContact CD1-CD1 4.31Å; L492-I646 HydrophobicContact CD1-CG2 3.98Å; V495-I646 HydrophobicContact CG1-CD1 4.03Å; F496-I646 HydrophobicContact CE2-CD1 4Å; F496-I646 HydrophobicContact CZ-CD1 3.7Å; L642-I646 HydrophobicContact CD1-CG1 4.48Å; L642-I646 HydrophobicContact CG-CD1 4.42Å; L642-I646 HydrophobicContact CG-CG1 4.38Å; L642-I646 WeakPolarHBondContact O-CG1 3.25Å; L642-I646 PolarHBondContact O-N 3.16Å; C643-I646 WeakPolarHBondContact O-CB 3.44Å; C643-I646 PolarHBondContact O-N 3.49Å; I646-Y650 PolarHBondContact O-N 3.41Å; I646-A651 HydrophobicContact CG2-CB 3.94Å; I646-A651 PolarHBondContact O-N 3.27Å; I646-I652 HydrophobicContact CG2-CG2 3.98Å; I646-W770 HydrophobicContact CB-CH2 3.97Å; I646-W770 HydrophobicContact CB-CZ2 4.47Å; I646-W770 HydrophobicContact CD1-CH2 3.61Å; I646-W770 HydrophobicContact CD1-CZ2 3.96Å; I646-W770 HydrophobicContact CG1-CH2 3.58Å; I646-W770 HydrophobicContact CG1-CZ2 4.29Å; I646-W770 HydrophobicContact CG2-CH2 3.96Å; I646-W770 HydrophobicContact CG2-CZ2 3.95Å; I646-F785 HydrophobicContact CD1-CE1 3.69Å; I646-F785 HydrophobicContact CD1-CZ 3.87Å
647G90.4Very high88Confident1 Ų117.8 Ų17.81%0.019%0.09CC..Hα-helixtrans-64-46.6-179.800000112.2F598 L602 C643 Y644 N649 Y650F598-G647 WeakPolarHBondContact CZ-O 3.19Å; L602-G647 VanDerWaalsContact CD2-C 3.42Å; C643-G647 PolarHBondContact O-N 2.82Å; Y644-G647 PolarHBondContact O-N 3.13Å; G647-N649 PolarHBondContact O-N 3.05Å; G647-Y650 PolarHBondContact O-N 2.84Å
648Y86.8Confident87.7Confident28 Ų2819.2 Ų19.211%0.1110%0.096CC..Hα-helixtrans-61.1-45.8-179.5-175.1-95.3000110.4R469 L470 F598 L602 Y644 Y650R469-Y648 PolarHBondContact NH1-OH 3.42Å; R469-Y648 PolarHBondContact NH2-O 2.78Å; L470-Y648 HydrophobicContact CD2-CE2 4.18Å; F598-Y648 HydrophobicContact CE1-CD2 4.45Å; L602-Y648 HydrophobicContact CD1-CD2 3.77Å; L602-Y648 VanDerWaalsContact CD2-N 3.29Å; Y644-Y648 HydrophobicContact CE1-CD2 4.37Å; Y644-Y648 HydrophobicContact CE1-CG 4.31Å; Y644-Y648 VanDerWaalsContact O-CB 3.25Å; Y644-Y648 WeakPolarHBondContact O-CB 3.47Å; Y644-Y648 PolarHBondContact O-N 3.21Å; Y644-Y648 VanDerWaalsContact OH-CD2 3.3Å; Y644-Y648 WeakPolarHBondContact OH-CD2 3.37Å; Y648-Y650 VanDerWaalsContact O-CD2 3.29Å; Y648-Y650 WeakPolarHBondContact O-CD2 3.26Å; Y648-Y650 WeakPolarHBondContact O-CE2 3.48Å; Y648-Y650 PolarHBondContact O-N 3.04Å
649N85Confident86.7Confident42 Ų4223.4 Ų23.423%0.22512%0.118CC..THydrogen-bonded Turntrans-765.6178.3-64-44.8000114M1 N645 G647 A651 L771M1-N649 WeakPolarHBondContact CE-ND2 3.11Å; N645-N649 WeakPolarHBondContact O-CB 3.3Å; N645-N649 PolarHBondContact O-N 2.97Å; N645-N649 PolarHBondContact O-ND2 2.65Å; G647-N649 PolarHBondContact O-N 3.05Å; N649-A651 PolarHBondContact O-N 3.45Å; N649-L771 HydrophobicContact CB-CD2 4.05Å
650Y81.3Confident85.3Confident8 Ų827.6 Ų27.63%0.03115%0.145CC..THydrogen-bonded Turntrans52.937.4-178.3-51.3-87.1000112.9R469 F598 I646 G647 Y648 I652 L655 K656 L659R469-Y650 VanDerWaalsContact CG-OH 3.3Å; R469-Y650 WeakPolarHBondContact CG-OH 3.27Å; R469-Y650 PolarHBondContact NE-OH 2.98Å; F598-Y650 HydrophobicContact CD1-CE1 4.4Å; F598-Y650 WeakPolarHBondContact CD1-OH 3.32Å; F598-Y650 HydrophobicContact CD2-CE1 4.14Å; F598-Y650 AromaticContact CE1-CE1 3.7Å; F598-Y650 HydrophobicContact CE1-CE1 3.7Å; F598-Y650 HydrophobicContact CE1-CE2 4.31Å; F598-Y650 AromaticContact CE1-CZ 3.44Å; F598-Y650 VanDerWaalsContact CE1-CZ 3.44Å; F598-Y650 WeakPolarHBondContact CE1-OH 3.28Å; F598-Y650 HydrophobicContact CE2-CD1 4.05Å; F598-Y650 AromaticContact CE2-CE1 3.36Å; F598-Y650 HydrophobicContact CE2-CE1 3.36Å; F598-Y650 AromaticContact CZ-CD1 3.82Å; F598-Y650 HydrophobicContact CZ-CD1 3.82Å; F598-Y650 AromaticContact CZ-CE1 3.09Å; F598-Y650 HydrophobicContact CZ-CE1 3.09Å; F598-Y650 HydrophobicContact CZ-CE2 4.24Å; F598-Y650 AromaticContact CZ-CZ 3.34Å; F598-Y650 WeakPolarHBondContact CZ-OH 3.13Å; I646-Y650 PolarHBondContact O-N 3.41Å; G647-Y650 PolarHBondContact O-N 2.84Å; Y648-Y650 VanDerWaalsContact O-CD2 3.29Å; Y648-Y650 WeakPolarHBondContact O-CD2 3.26Å; Y648-Y650 WeakPolarHBondContact O-CE2 3.48Å; Y648-Y650 PolarHBondContact O-N 3.04Å; Y650-I652 PolarHBondContact O-N 2.91Å; Y650-I652 VanDerWaalsContact O-N 3.16Å; Y650-L655 HydrophobicContact CD1-CB 3.83Å; Y650-L655 WeakPolarHBondContact CD1-O 3.41Å; Y650-L655 HydrophobicContact CG-CB 4.43Å; Y650-K656 WeakPolarHBondContact O-CG 3.25Å; Y650-L659 HydrophobicContact CD2-CD2 3.85Å; Y650-L659 HydrophobicContact CD2-CG 4.44Å; Y650-L659 HydrophobicContact CG-CD2 4.28Å; Y650-L659 HydrophobicContact CG-CG 4.49Å
651A80.8Confident83.5Confident8 Ų834.2 Ų34.27%0.06618%0.18CC..  trans-74.7-3.6-172.400000113.9I646 N649 W770I646-A651 HydrophobicContact CG2-CB 3.94Å; I646-A651 PolarHBondContact O-N 3.27Å; N649-A651 PolarHBondContact O-N 3.45Å; A651-W770 HydrophobicContact CB-CH2 3.8Å; A651-W770 HydrophobicContact CB-CZ2 3.33Å
652I87.6Confident81.4Confident2 Ų244.3 Ų44.31%0.0122%0.224CC..SBendtrans-109.5146.2174.962176000111.8V488 E491 L492 V495 I646 Y650 S654 L655 K656V488-I652 HydrophobicContact CG1-CD1 3.99Å; E491-I652 HydrophobicContact CB-CB 4.07Å; E491-I652 HydrophobicContact CB-CD1 4.19Å; E491-I652 HydrophobicContact CB-CG2 4.37Å; E491-I652 WeakPolarHBondContact OE2-CB 3.36Å; L492-I652 HydrophobicContact CB-CD1 4.5Å; V495-I652 HydrophobicContact CG2-CG2 3.9Å; I646-I652 HydrophobicContact CG2-CG2 3.98Å; Y650-I652 PolarHBondContact O-N 2.91Å; Y650-I652 VanDerWaalsContact O-N 3.16Å; I652-S654 PolarHBondContact O-N 3.32Å; I652-L655 HydrophobicContact CD1-CD1 3.75Å; I652-L655 HydrophobicContact CD1-CG 3.93Å; I652-L655 HydrophobicContact CG1-CB 3.85Å; I652-L655 HydrophobicContact CG1-CD1 3.69Å; I652-L655 HydrophobicContact CG1-CG 3.71Å; I652-L655 WeakPolarHBondContact O-CB 3.31Å; I652-L655 PolarHBondContact O-N 3.05Å; I652-K656 PolarHBondContact O-N 3.18Å
653P87.5Confident78.8Confident78 Ų7852.4 Ų52.451%0.50626%0.262SS..Hα-helixtrans-53.1-45.4-172.2-27.734.5000115.9E491 L655 K656E491-P653 WeakPolarHBondContact OE2-CD 3.43Å; P653-L655 PolarHBondContact O-N 3.31Å; P653-K656 PolarHBondContact O-N 2.87Å; P653-K656 VanDerWaalsContact O-N 3.14Å
654S87.6Confident76.1Confident13 Ų1361.9 Ų61.99%0.09130%0.303CS..Hα-helixtrans-60-18.7179.360.80000114.1Y484 E491 I652 K657Y484-S654 PolarHBondContact OH-O 3.01Å; E491-S654 WeakPolarHBondContact OE1-CB 3.41Å; E491-S654 PolarHBondContact OE1-N 2.89Å; E491-S654 VanDerWaalsContact OE1-N 3.11Å; E491-S654 WeakPolarHBondContact OE2-CB 3.49Å; E491-S654 PolarHBondContact OE2-N 3.22Å; E491-S654 PolarHBondContact OE2-OG 3.18Å; I652-S654 PolarHBondContact O-N 3.32Å; S654-K657 VanDerWaalsContact O-CE 3.3Å; S654-K657 WeakPolarHBondContact O-CE 3.42Å
655L87.5Confident73.7Confident0 Ų067.3 Ų67.30%034%0.341CS..Hα-helixtrans-102.3-30.6179.4-72.4-169.9000112.3Y484 F598 L601 I605 Y650 I652 P653 K657 Y658Y484-L655 WeakPolarHBondContact OH-CD2 3.42Å; F598-L655 HydrophobicContact CE2-CD2 4.24Å; L601-L655 HydrophobicContact CD2-CD2 3.67Å; I605-L655 HydrophobicContact CD1-CD1 3.91Å; Y650-L655 HydrophobicContact CD1-CB 3.83Å; Y650-L655 WeakPolarHBondContact CD1-O 3.41Å; Y650-L655 HydrophobicContact CG-CB 4.43Å; I652-L655 HydrophobicContact CD1-CD1 3.75Å; I652-L655 HydrophobicContact CD1-CG 3.93Å; I652-L655 HydrophobicContact CG1-CB 3.85Å; I652-L655 HydrophobicContact CG1-CD1 3.69Å; I652-L655 HydrophobicContact CG1-CG 3.71Å; I652-L655 WeakPolarHBondContact O-CB 3.31Å; I652-L655 PolarHBondContact O-N 3.05Å; P653-L655 PolarHBondContact O-N 3.31Å; L655-K657 PolarHBondContact O-N 3.43Å; L655-K657 VanDerWaalsContact O-N 3.08Å; L655-Y658 HydrophobicContact CD2-CD2 4.34Å; L655-Y658 HydrophobicContact CD2-CE2 4.48Å; L655-Y658 WeakPolarHBondContact O-CD2 2.99Å; L655-Y658 PolarHBondContact O-N 2.84Å
656K83.4Confident71.1Confident61 Ų6170.9 Ų70.927%0.26537%0.366SS..Hα-helixtrans-53.5-32.6-178.6-75.9-175.2-176.3179.80113.9Y650 I652 P653 Y658 L659 T776Y650-K656 WeakPolarHBondContact O-CG 3.25Å; I652-K656 PolarHBondContact O-N 3.18Å; P653-K656 PolarHBondContact O-N 2.87Å; P653-K656 VanDerWaalsContact O-N 3.14Å; K656-Y658 PolarHBondContact O-N 2.68Å; K656-Y658 VanDerWaalsContact O-N 3.09Å; K656-L659 HydrophobicContact CB-CD1 4.14Å; K656-L659 HydrophobicContact CG-CD1 4.29Å; K656-L659 VanDerWaalsContact O-CB 3.25Å; K656-L659 WeakPolarHBondContact O-CB 3.01Å; K656-L659 WeakPolarHBondContact O-CD1 3.38Å; K656-L659 WeakPolarHBondContact O-CG 3.27Å; K656-L659 PolarHBondContact O-N 2.89Å; K656-T776 VanDerWaalsContact CE-CG2 3.49Å; K656-T776 PolarHBondContact NZ-OG1 2.95Å
657K79.9Confident68.8Low118 Ų11878.1 Ų78.151%0.51340%0.398SS..THydrogen-bonded Turntrans-60.2-17.6176.761.7171.2171.2162.20114.4S654 L655S654-K657 VanDerWaalsContact O-CE 3.3Å; S654-K657 WeakPolarHBondContact O-CE 3.42Å; L655-K657 PolarHBondContact O-N 3.43Å; L655-K657 VanDerWaalsContact O-N 3.08Å
658Y78.7Confident66.6Low40 Ų4084.9 Ų84.916%0.15743%0.429CS..THydrogen-bonded Turntrans-98.88.4175.9-51.9-65.4000113.2H472 I474 Y484 L655 K656H472-Y658 AromaticContact CE1-CD1 3.57Å; H472-Y658 AromaticContact CE1-CE1 3.78Å; I474-Y658 HydrophobicContact CD1-CD2 4.24Å; I474-Y658 HydrophobicContact CD1-CE2 3.98Å; I474-Y658 HydrophobicContact CG1-CE1 4.29Å; I474-Y658 HydrophobicContact CG1-CE2 4.06Å; I474-Y658 HydrophobicContact CG2-CE2 4.17Å; I474-Y658 VanDerWaalsContact CG2-OH 3.25Å; I474-Y658 WeakPolarHBondContact CG2-OH 3.27Å; Y484-Y658 WeakPolarHBondContact OH-CE2 3.37Å; L655-Y658 HydrophobicContact CD2-CD2 4.34Å; L655-Y658 HydrophobicContact CD2-CE2 4.48Å; L655-Y658 WeakPolarHBondContact O-CD2 2.99Å; L655-Y658 PolarHBondContact O-N 2.84Å; K656-Y658 PolarHBondContact O-N 2.68Å; K656-Y658 VanDerWaalsContact O-N 3.09Å
659L70.3Confident64.8Low88 Ų8890.2 Ų90.246%0.46146%0.459SS..SBendtrans-54.8132.1171.1-78.8165.1000108.7Y650 K656 N661Y650-L659 HydrophobicContact CD2-CD2 3.85Å; Y650-L659 HydrophobicContact CD2-CG 4.44Å; Y650-L659 HydrophobicContact CG-CD2 4.28Å; Y650-L659 HydrophobicContact CG-CG 4.49Å; K656-L659 HydrophobicContact CB-CD1 4.14Å; K656-L659 HydrophobicContact CG-CD1 4.29Å; K656-L659 VanDerWaalsContact O-CB 3.25Å; K656-L659 WeakPolarHBondContact O-CB 3.01Å; K656-L659 WeakPolarHBondContact O-CD1 3.38Å; K656-L659 WeakPolarHBondContact O-CG 3.27Å; K656-L659 PolarHBondContact O-N 2.89Å; L659-N661 PolarHBondContact O-N 3.26Å; L659-N661 VanDerWaalsContact O-N 3.07Å
660P62.4Low63.2Low89 Ų8988.9 Ų88.958%0.57845%0.453SS*.PPolyproline II helixtrans-56.7121.1177.9-20.329.4000109.5K662P660-K662 PolarHBondContact O-N 2.6Å
661N55.1Low61.8Low139 Ų13992.7 Ų92.774%0.74349%0.486SS*.PPolyproline II helixtrans-55.4138.2159.1-83-26.6000106.7L659 Q663L659-N661 PolarHBondContact O-N 3.26Å; L659-N661 VanDerWaalsContact O-N 3.07Å; N661-Q663 PolarHBondContact O-N 2.93Å
662K46.7Very low61Low213 Ų21394 Ų9493%0.92649%0.491SS*.  trans-64.435.7177.1-70-175.8177.3178.40113.2P660 K664P660-K662 PolarHBondContact O-N 2.6Å; K662-K664 PolarHBondContact O-N 3.13Å
663Q37.7Very low60.2Low172 Ų17296.2 Ų96.280%0.80452%0.515SS*.  trans-64.5116.9167.5-87.2-178.2-7.800108.1N661 S665N661-Q663 PolarHBondContact O-N 2.93Å; Q663-S665 PolarHBondContact O-N 3.31Å
664K38.4Very low59.8Low198 Ų19893.3 Ų93.386%0.86150%0.495SS*.  trans-50.5126172.2-70.8178.1175.1-179.10108.2K662 S666K662-K664 PolarHBondContact O-N 3.13Å; K664-S666 VanDerWaalsContact C-N 3.28Å; K664-S666 PolarHBondContact O-N 3.49Å
665S39.7Very low59.5Low115 Ų11599.7 Ų99.780%0.80452%0.517SS*.  trans-62.293.1168.657.90000108.3Q663 F667Q663-S665 PolarHBondContact O-N 3.31Å; S665-F667 PolarHBondContact O-N 3.35Å
666S36.7Very low59.4Low75 Ų75102.3 Ų102.352%0.52453%0.533SS..  trans-57.5135.9158.948.90000107.3K664 Q668K664-S666 VanDerWaalsContact C-N 3.28Å; K664-S666 PolarHBondContact O-N 3.49Å; S666-Q668 PolarHBondContact O-N 2.82Å
667F41Very low59.5Low153 Ų153100.2 Ų100.267%0.67153%0.526SS*.  trans-54.187170.4-84.8-91000109.5S665 P832S665-F667 PolarHBondContact O-N 3.35Å; F667-P832 HydrophobicContact CE2-CG 4.22Å; F667-P832 HydrophobicContact CZ-CG 4.03Å
668Q45.1Very low59.5Low143 Ų14398.8 Ų98.867%0.66853%0.531SS*.  trans-105.4133170.9-73.9-178.6-22.700105.9S666 S670S666-Q668 PolarHBondContact O-N 2.82Å; Q668-S670 PolarHBondContact O-N 3.01Å; Q668-S670 VanDerWaalsContact O-N 3.14Å
669L48.3Very low59.8Low139 Ų139101 Ų10173%0.72854%0.539SS*.  trans-45.2125.1158.1-84.1120.5000106.7
670S51.8Low60.7Low14 Ų1498.3 Ų98.310%0.09853%0.527CS..  trans-56.5152.3172.663.30000108.2Q668 I672 G673 L674Q668-S670 PolarHBondContact O-N 3.01Å; Q668-S670 VanDerWaalsContact O-N 3.14Å; S670-I672 PolarHBondContact O-N 3.31Å; S670-G673 PolarHBondContact O-N 3.27Å; S670-L674 WeakPolarHBondContact CB-O 3.29Å; S670-L674 PolarHBondContact N-O 3.06Å; S670-L674 PolarHBondContact OG-N 3.18Å; S670-L674 PolarHBondContact OG-O 2.83Å
671A51.4Low62Low88 Ų8894 Ų9473%0.72750%0.5SS*.THydrogen-bonded Turntrans-56.9-9.2178.800000113.6Y467Y467-A671 HydrophobicContact CE1-CB 3.74Å
672I63.3Low63.5Low35 Ų3589.7 Ų89.718%0.17948%0.478CS..THydrogen-bonded Turntrans-92.6-5.5179-47.3146000112.2P298 Y463 Y467 S670 L674P298-I672 HydrophobicContact CB-CG2 3.71Å; P298-I672 HydrophobicContact CG-CG2 3.71Å; Y463-I672 HydrophobicContact CD1-CD1 3.63Å; Y463-I672 HydrophobicContact CE1-CD1 3.19Å; Y463-I672 HydrophobicContact CE1-CG1 3.9Å; Y463-I672 HydrophobicContact CE1-CG2 4.4Å; Y467-I672 HydrophobicContact CD1-CD1 4.01Å; Y467-I672 HydrophobicContact CD1-CG1 4.41Å; Y467-I672 HydrophobicContact CD2-CD1 3.28Å; Y467-I672 HydrophobicContact CD2-CG1 3.84Å; Y467-I672 HydrophobicContact CE1-CD1 4.37Å; Y467-I672 HydrophobicContact CE1-CG1 4.29Å; Y467-I672 HydrophobicContact CE2-CD1 3.65Å; Y467-I672 HydrophobicContact CE2-CG1 3.63Å; Y467-I672 HydrophobicContact CG-CD1 3.42Å; Y467-I672 VanDerWaalsContact CG-CD1 3.42Å; Y467-I672 HydrophobicContact CG-CG1 4.18Å; S670-I672 PolarHBondContact O-N 3.31Å; I672-L674 VanDerWaalsContact C-N 3.33Å; I672-L674 HydrophobicContact CG2-CD1 4.23Å; I672-L674 HydrophobicContact CG2-CG 4.4Å
673G72.2Confident65.6Low50 Ų5079.6 Ų79.652%0.51544%0.435SS..SBendtrans81.46.8-176.200000114.8S670S670-G673 PolarHBondContact O-N 3.27Å
674L79.3Confident68.2Low16 Ų1671.6 Ų71.68%0.08440%0.397CS..PPolyproline II helixtrans-96142.1176-62.4173.2000111.1W437 N441 L442 Q460 A464 S670 I672 T676W437-L674 HydrophobicContact CH2-CD1 4.2Å; W437-L674 HydrophobicContact CH2-CD2 4.29Å; W437-L674 HydrophobicContact CZ2-CB 4.2Å; W437-L674 HydrophobicContact CZ2-CD2 4.49Å; N441-L674 HydrophobicContact CB-CD2 4.13Å; N441-L674 WeakPolarHBondContact O-CD2 3.02Å; L442-L674 HydrophobicContact CD2-CD2 3.9Å; Q460-L674 HydrophobicContact CB-CD1 4.26Å; A464-L674 HydrophobicContact CB-CB 4.17Å; A464-L674 HydrophobicContact CB-CD1 4.41Å; S670-L674 WeakPolarHBondContact CB-O 3.29Å; S670-L674 PolarHBondContact N-O 3.06Å; S670-L674 PolarHBondContact OG-N 3.18Å; S670-L674 PolarHBondContact OG-O 2.83Å; I672-L674 VanDerWaalsContact C-N 3.33Å; I672-L674 HydrophobicContact CG2-CD1 4.23Å; I672-L674 HydrophobicContact CG2-CG 4.4Å; L674-T676 PolarHBondContact O-N 3.33Å
675R81.6Confident70.6Confident148 Ų14863.2 Ų63.256%0.55836%0.361SS*.PPolyproline II helixtrans-71.6120.5171.4-172.7179.3179.9175.41.8110.1W437 N441 P677W437-R675 PolarHBondContact NE1-O 2.89Å; N441-R675 WeakPolarHBondContact OD1-CB 3.41Å; N441-R675 PolarHBondContact OD1-N 2.84Å; R675-P677 VanDerWaalsContact O-CD 3.23Å; R675-P677 WeakPolarHBondContact O-CD 2.81Å
676T84.3Confident73.1Confident55 Ų5558 Ų5834%0.33732%0.324SS..PPolyproline II helixtrans-67.7118.7179.9-53.20000111.7A464 L674A464-T676 WeakPolarHBondContact O-CG2 3.16Å; L674-T676 PolarHBondContact O-N 3.33Å
677P85.4Confident75.9Confident17 Ų1754.5 Ų54.511%0.1130%0.299CS..PPolyproline II helixtrans-68.1161.5170.5-12.726.1000112.6Y461 V465 R675Y461-P677 HydrophobicContact CD1-CB 4.48Å; Y461-P677 HydrophobicContact CD1-CG 4.02Å; Y461-P677 HydrophobicContact CD2-CB 4.25Å; Y461-P677 HydrophobicContact CD2-CG 3.59Å; Y461-P677 HydrophobicContact CE1-CB 3.8Å; Y461-P677 HydrophobicContact CE1-CG 3.84Å; Y461-P677 HydrophobicContact CE2-CB 3.53Å; Y461-P677 HydrophobicContact CE2-CG 3.38Å; Y461-P677 HydrophobicContact CG-CG 3.89Å; Y461-P677 VanDerWaalsContact OH-CB 3.28Å; Y461-P677 WeakPolarHBondContact OH-CB 3.17Å; V465-P677 HydrophobicContact CG2-CB 3.76Å; V465-P677 HydrophobicContact CG2-CG 3.74Å; R675-P677 VanDerWaalsContact O-CD 3.23Å; R675-P677 WeakPolarHBondContact O-CD 2.81Å
678S80Confident78.4Confident88 Ų8849.1 Ų49.162%0.61528%0.276SS*.SBendtrans-72.4-28.7-178.756.80000114.2
679R86.1Confident80.7Confident86 Ų8643 Ų4333%0.32525%0.247SC..SBendtrans-146.9161.9179.765.9171.617585.2-0.9110.8D430 Y461 V465D430-R679 IonicContact OD1-CZ 2.67Å; D430-R679 VanDerWaalsContact OD1-CZ 3.23Å; D430-R679 IonicContact OD1-NH1 3.28Å; D430-R679 PolarHBondContact OD1-NH1 2.67Å; D430-R679 IonicContact OD1-NH2 2.84Å; D430-R679 PolarHBondContact OD1-NH2 3.23Å; D430-R679 IonicContact OD2-NH1 3.16Å; D430-R679 PolarHBondContact OD2-NH1 3.08Å; Y461-R679 WeakPolarHBondContact CE1-O 3.39Å; Y461-R679 PolarHBondContact OH-O 3.42Å; V465-R679 WeakPolarHBondContact CG2-O 3.43Å
680S87.5Confident83Confident31 Ų3136.3 Ų36.322%0.21721%0.212CC..  trans-75.9146.8171-74.80000111.9N462 V465 N466N462-S680 VanDerWaalsContact ND2-CB 3.35Å; N462-S680 WeakPolarHBondContact ND2-CB 3.43Å; N462-S680 VanDerWaalsContact OD1-CA 3.26Å; N462-S680 WeakPolarHBondContact OD1-CA 3.23Å; V465-S680 WeakPolarHBondContact CG1-OG 3.25Å; N466-S680 PolarHBondContact ND2-OG 3.25Å
681I90Very high85.1Confident0 Ų036.5 Ų36.50%021%0.211CC..  trans-94.1118166.4-66.9166.4000108.7R3 D430 L433 L434 L458 Y461 N462 L684R3-I681 PolarHBondContact NE-O 3.17Å; R3-I681 PolarHBondContact NH2-O 3.14Å; D430-I681 HydrophobicContact CB-CD1 4.27Å; D430-I681 HydrophobicContact CB-CG1 4.11Å; D430-I681 HydrophobicContact CB-CG2 3.77Å; D430-I681 WeakPolarHBondContact O-CD1 3.44Å; L433-I681 HydrophobicContact CD2-CD1 4.46Å; L434-I681 HydrophobicContact CB-CD1 3.94Å; L434-I681 HydrophobicContact CD1-CD1 4.43Å; L458-I681 HydrophobicContact CD1-CB 3.72Å; L458-I681 HydrophobicContact CD1-CG2 3.52Å; Y461-I681 HydrophobicContact CD1-CB 4.32Å; Y461-I681 HydrophobicContact CD1-CD1 3.93Å; Y461-I681 HydrophobicContact CD1-CG1 4.06Å; Y461-I681 HydrophobicContact CD2-CD1 4.26Å; Y461-I681 HydrophobicContact CE1-CB 4.16Å; Y461-I681 HydrophobicContact CE1-CD1 3.6Å; Y461-I681 HydrophobicContact CE1-CG1 3.51Å; Y461-I681 HydrophobicContact CE2-CD1 3.95Å; Y461-I681 HydrophobicContact CG-CD1 4.26Å; N462-I681 PolarHBondContact ND2-O 2.61Å; N462-I681 PolarHBondContact OD1-N 2.81Å; N462-I681 PolarHBondContact OD1-O 2.93Å; I681-L684 HydrophobicContact CG2-CB 4.48Å; I681-L684 HydrophobicContact CG2-CD1 4.15Å; I681-L684 HydrophobicContact CG2-CG 3.97Å
682T86.5Confident87.2Confident47 Ų4734.3 Ų34.329%0.28819%0.186SC..  trans-118-17.7174.554.40000113.1L684 Y685 L686T682-L684 VanDerWaalsContact C-N 3.32Å; T682-L684 PolarHBondContact O-N 3.3Å; T682-Y685 PolarHBondContact O-N 3.23Å; T682-L686 PolarHBondContact O-N 3.44Å
683S90.9Very high88.7Confident2 Ų232.6 Ų32.61%0.01418%0.177CC..Hα-helixtrans-58.4-40.5-176.159.70000112.9D430 Y685 L686 L687D430-S683 VanDerWaalsContact CB-OG 3.32Å; D430-S683 WeakPolarHBondContact CB-OG 3.44Å; D430-S683 VanDerWaalsContact CG-OG 3.27Å; D430-S683 WeakPolarHBondContact OD2-CB 3.45Å; D430-S683 PolarHBondContact OD2-OG 2.9Å; S683-Y685 PolarHBondContact O-N 2.75Å; S683-L686 WeakPolarHBondContact O-CB 3.29Å; S683-L686 PolarHBondContact O-N 3.12Å; S683-L687 WeakPolarHBondContact O-CG 3.35Å; S683-L687 PolarHBondContact O-N 3.39Å
684L92Very high89.9Confident4 Ų431.5 Ų31.52%0.02116%0.157CC..Hα-helixtrans-65.8-39.6-177.3-60.7-177.2000113.2F431 L434 L458 I681 T682 L687 Q688 P722F431-L684 HydrophobicContact CB-CD1 4.48Å; F431-L684 HydrophobicContact CB-CD2 4.18Å; F431-L684 HydrophobicContact CD2-CD1 4.11Å; L434-L684 HydrophobicContact CD2-CD1 3.83Å; L458-L684 HydrophobicContact CD1-CD1 4.19Å; L458-L684 HydrophobicContact CD2-CB 3.75Å; L458-L684 HydrophobicContact CD2-CD1 4.14Å; I681-L684 HydrophobicContact CG2-CB 4.48Å; I681-L684 HydrophobicContact CG2-CD1 4.15Å; I681-L684 HydrophobicContact CG2-CG 3.97Å; T682-L684 VanDerWaalsContact C-N 3.32Å; T682-L684 PolarHBondContact O-N 3.3Å; L684-L687 HydrophobicContact CD2-CD1 4.49Å; L684-L687 PolarHBondContact O-N 3.35Å; L684-Q688 PolarHBondContact O-N 3.39Å; L684-P722 HydrophobicContact CD2-CG 3.63Å
685Y89.8Confident90.8Very high22 Ų2230.9 Ų30.99%0.08615%0.154CC..Hα-helixtrans-64.9-43.1172.8-65.7-82.6000111.2R3 L458 E459 T682 S683 L687 Q688 E689R3-Y685 HydrophobicContact CG-CD2 4.11Å; R3-Y685 HydrophobicContact CG-CE2 4.13Å; R3-Y685 VanDerWaalsContact CZ-OH 3.27Å; R3-Y685 PolarHBondContact NH1-OH 2.95Å; R3-Y685 VanDerWaalsContact NH2-CE2 3.3Å; L458-Y685 HydrophobicContact CD1-CE2 4.11Å; L458-Y685 HydrophobicContact CD2-CD2 3.78Å; L458-Y685 HydrophobicContact CD2-CE1 4.21Å; L458-Y685 HydrophobicContact CD2-CE2 3.13Å; L458-Y685 HydrophobicContact CD2-CG 4.47Å; L458-Y685 VanDerWaalsContact CD2-CZ 3.44Å; L458-Y685 HydrophobicContact CG-CD2 4.38Å; L458-Y685 HydrophobicContact CG-CE2 3.39Å; L458-Y685 WeakPolarHBondContact CG-OH 3.44Å; E459-Y685 PolarHBondContact OE2-OH 3.29Å; T682-Y685 PolarHBondContact O-N 3.23Å; S683-Y685 PolarHBondContact O-N 2.75Å; Y685-L687 VanDerWaalsContact C-N 3.3Å; Y685-L687 PolarHBondContact O-N 3.3Å; Y685-Q688 WeakPolarHBondContact O-CB 3.47Å; Y685-Q688 PolarHBondContact O-N 2.94Å; Y685-Q688 VanDerWaalsContact O-N 3.15Å; Y685-E689 WeakPolarHBondContact O-CG 3.38Å; Y685-E689 PolarHBondContact O-N 2.82Å
686L91.9Very high91.5Very high6 Ų623.9 Ų23.93%0.03113%0.127CC..Hα-helixtrans-60.7-40.7178.2-80.9176.4000112L2 L423 T682 S683 Q688 E689 L690 I752 K755 F818L2-L686 HydrophobicContact CD2-CD1 3.55Å; L2-L686 HydrophobicContact CD2-CD2 3.25Å; L2-L686 HydrophobicContact CD2-CG 3.47Å; L2-L686 VanDerWaalsContact CD2-CG 3.47Å; L423-L686 HydrophobicContact CD1-CB 3.74Å; L423-L686 HydrophobicContact CD1-CD1 4.03Å; L423-L686 HydrophobicContact CD1-CG 4.46Å; L423-L686 HydrophobicContact CD2-CB 4.31Å; L423-L686 HydrophobicContact CD2-CD1 3.87Å; T682-L686 PolarHBondContact O-N 3.44Å; S683-L686 WeakPolarHBondContact O-CB 3.29Å; S683-L686 PolarHBondContact O-N 3.12Å; L686-Q688 VanDerWaalsContact C-N 3.35Å; L686-E689 PolarHBondContact O-N 2.88Å; L686-L690 WeakPolarHBondContact O-CB 3.46Å; L686-L690 VanDerWaalsContact O-CG 3.24Å; L686-L690 WeakPolarHBondContact O-CG 3.38Å; L686-L690 PolarHBondContact O-N 3.09Å; L686-I752 HydrophobicContact CD2-CD1 3.87Å; L686-K755 HydrophobicContact CD2-CD 3.73Å; L686-F818 HydrophobicContact CD1-CZ 4.35Å; L686-F818 HydrophobicContact CD2-CZ 4.15Å
687L95.2Very high92.1Very high0 Ų021.3 Ų21.30%011%0.112CC..Hα-helixtrans-63.9-39.9174.6-73.1172.6000112.1L423 S683 L684 Y685 L690 Y691 H720 M721L423-L687 HydrophobicContact CB-CD2 3.63Å; L423-L687 HydrophobicContact CB-CG 4.08Å; S683-L687 WeakPolarHBondContact O-CG 3.35Å; S683-L687 PolarHBondContact O-N 3.39Å; L684-L687 HydrophobicContact CD2-CD1 4.49Å; L684-L687 PolarHBondContact O-N 3.35Å; Y685-L687 VanDerWaalsContact C-N 3.3Å; Y685-L687 PolarHBondContact O-N 3.3Å; L687-L690 PolarHBondContact O-N 3.33Å; L687-Y691 WeakPolarHBondContact O-CB 3.18Å; L687-Y691 PolarHBondContact O-N 3.28Å; L687-H720 WeakPolarHBondContact CD1-O 3.16Å; L687-H720 WeakPolarHBondContact CD2-O 3.2Å; L687-M721 HydrophobicContact CB-SD 4.18Å
688Q93.8Very high92.7Very high41 Ų4120.6 Ų20.619%0.19211%0.107CC..Hα-helixtrans-64.3-45.1175.4-170.7-179.814.400111.7E455 L684 Y685 L686 Y691 Q692 M721E455-Q688 PolarHBondContact OE1-NE2 3.48Å; L684-Q688 PolarHBondContact O-N 3.39Å; Y685-Q688 WeakPolarHBondContact O-CB 3.47Å; Y685-Q688 PolarHBondContact O-N 2.94Å; Y685-Q688 VanDerWaalsContact O-N 3.15Å; L686-Q688 VanDerWaalsContact C-N 3.35Å; Q688-Y691 WeakPolarHBondContact O-CB 3.31Å; Q688-Y691 PolarHBondContact O-N 2.91Å; Q688-Q692 VanDerWaalsContact O-CG 3.31Å; Q688-Q692 WeakPolarHBondContact O-CG 3.35Å; Q688-Q692 PolarHBondContact O-N 3.43Å; Q688-M721 HydrophobicContact CB-CE 4.35Å
689E93Very high93.5Very high13 Ų1316.6 Ų16.66%0.0618%0.079CC..Hα-helixtrans-63.6-41.8175.7-69.2-175.314600111.9T6 Y685 L686 Q692 S693 I752 K755T6-E689 WeakPolarHBondContact CG2-OE1 3.42Å; Y685-E689 WeakPolarHBondContact O-CG 3.38Å; Y685-E689 PolarHBondContact O-N 2.82Å; L686-E689 PolarHBondContact O-N 2.88Å; E689-Q692 PolarHBondContact O-N 2.92Å; E689-S693 WeakPolarHBondContact O-CB 3.26Å; E689-S693 PolarHBondContact O-N 2.94Å; E689-S693 PolarHBondContact O-OG 3.26Å; E689-I752 HydrophobicContact CB-CD1 3.76Å; E689-I752 HydrophobicContact CB-CG1 4.23Å; E689-K755 IonicContact OE1-NZ 2.72Å; E689-K755 PolarHBondContact OE1-NZ 3.23Å; E689-K755 WeakPolarHBondContact OE2-CE 3.15Å; E689-K755 IonicContact OE2-NZ 3.17Å; E689-K755 PolarHBondContact OE2-NZ 2.84Å
690L96Very high94Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-62.1-44.6174.2-76.6167.8000111.3L416 R420 L423 L686 L687 S693 R694 I752L416-L690 HydrophobicContact CB-CD2 4.24Å; L416-L690 HydrophobicContact CD2-CD2 3.86Å; R420-L690 HydrophobicContact CB-CD1 4.24Å; L423-L690 HydrophobicContact CD1-CD1 3.55Å; L686-L690 WeakPolarHBondContact O-CB 3.46Å; L686-L690 VanDerWaalsContact O-CG 3.24Å; L686-L690 WeakPolarHBondContact O-CG 3.38Å; L686-L690 PolarHBondContact O-N 3.09Å; L687-L690 PolarHBondContact O-N 3.33Å; L690-S693 WeakPolarHBondContact O-CB 3.46Å; L690-S693 PolarHBondContact O-N 2.84Å; L690-R694 WeakPolarHBondContact O-CB 3.44Å; L690-R694 VanDerWaalsContact O-CG 3.25Å; L690-R694 WeakPolarHBondContact O-CG 3.24Å; L690-R694 PolarHBondContact O-N 2.8Å; L690-I752 HydrophobicContact CD2-CD1 4.06Å; L690-I752 HydrophobicContact CD2-CG1 3.92Å; L690-I752 HydrophobicContact CD2-CG2 4.22Å; L690-I752 HydrophobicContact CG-CD1 3.89Å; L690-I752 HydrophobicContact CG-CG1 4.2Å
691Y97Very high94.4Very high18 Ų1812.4 Ų12.47%0.0716%0.061CC..Hα-helixtrans-57.3-49.9174.2159.4-103.6000111.2L687 Q688 S693 R694 F695 Q713 L716 W717L687-Y691 WeakPolarHBondContact O-CB 3.18Å; L687-Y691 PolarHBondContact O-N 3.28Å; Q688-Y691 WeakPolarHBondContact O-CB 3.31Å; Q688-Y691 PolarHBondContact O-N 2.91Å; Y691-S693 VanDerWaalsContact C-N 3.32Å; Y691-S693 PolarHBondContact O-N 2.82Å; Y691-R694 PolarHBondContact O-N 3.29Å; Y691-F695 HydrophobicContact CE2-CB 4.3Å; Y691-F695 VanDerWaalsContact O-CB 3.26Å; Y691-F695 WeakPolarHBondContact O-CB 3.25Å; Y691-F695 PolarHBondContact O-N 2.9Å; Y691-Q713 WeakPolarHBondContact OH-CG 3.36Å; Y691-L716 HydrophobicContact CD2-CB 3.97Å; Y691-L716 HydrophobicContact CE2-CB 4.01Å; Y691-W717 HydrophobicContact CD1-CE3 4.2Å; Y691-W717 HydrophobicContact CD1-CZ3 4.36Å; Y691-W717 HydrophobicContact CD2-CE3 4.48Å; Y691-W717 AromaticContact CE1-CE3 3.9Å; Y691-W717 HydrophobicContact CE1-CE3 3.9Å; Y691-W717 HydrophobicContact CE1-CZ3 4.09Å; Y691-W717 HydrophobicContact CE2-CB 4.28Å; Y691-W717 HydrophobicContact CE2-CE3 4.2Å; Y691-W717 HydrophobicContact CG-CE3 4.5Å; Y691-W717 AromaticContact CZ-CE3 3.92Å
692Q94.5Very high94.6Very high41 Ų4119.1 Ų19.119%0.1929%0.09CC..Hα-helixtrans-61.1-42179.2-72174.44.800111.6Q688 E689 F695 D696Q688-Q692 VanDerWaalsContact O-CG 3.31Å; Q688-Q692 WeakPolarHBondContact O-CG 3.35Å; Q688-Q692 PolarHBondContact O-N 3.43Å; E689-Q692 PolarHBondContact O-N 2.92Å; Q692-F695 PolarHBondContact O-N 3.17Å; Q692-D696 WeakPolarHBondContact O-CB 3.2Å; Q692-D696 PolarHBondContact O-N 2.76Å
693S95.9Very high94.9Very high0 Ų024.5 Ų24.50%011%0.11CC..Hα-helixtrans-61-49176.4-57.40000111.5E689 L690 Y691 L697 Y749E689-S693 WeakPolarHBondContact O-CB 3.26Å; E689-S693 PolarHBondContact O-N 2.94Å; E689-S693 PolarHBondContact O-OG 3.26Å; L690-S693 WeakPolarHBondContact O-CB 3.46Å; L690-S693 PolarHBondContact O-N 2.84Å; Y691-S693 VanDerWaalsContact C-N 3.32Å; Y691-S693 PolarHBondContact O-N 2.82Å; S693-L697 WeakPolarHBondContact O-CG 3.23Å; S693-L697 PolarHBondContact O-N 3.29Å; S693-L697 VanDerWaalsContact O-N 3.1Å; S693-Y749 WeakPolarHBondContact OG-CA 3.23Å
694R97.3Very high95.1Very high27 Ų2726.7 Ų26.710%0.10212%0.118CC..Hα-helixtrans-68.9-35.4179.7-67-70.8-68.3124.9-6112L416 L690 Y691 A698 L716 H720L416-R694 HydrophobicContact CD1-CG 4.45Å; L690-R694 WeakPolarHBondContact O-CB 3.44Å; L690-R694 VanDerWaalsContact O-CG 3.25Å; L690-R694 WeakPolarHBondContact O-CG 3.24Å; L690-R694 PolarHBondContact O-N 2.8Å; Y691-R694 PolarHBondContact O-N 3.29Å; R694-A698 VanDerWaalsContact O-CB 3.22Å; R694-A698 WeakPolarHBondContact O-CB 3.45Å; R694-A698 PolarHBondContact O-N 3.41Å; R694-L716 HydrophobicContact CB-CD1 4.24Å; R694-L716 HydrophobicContact CB-CD2 4.31Å; R694-H720 WeakPolarHBondContact CG-NE2 3.38Å
695F97.5Very high95.1Very high3 Ų327.8 Ų27.81%0.01313%0.126CC..Hα-helixtrans-64.3-48.5175.9-179.5-95.8000111.3Y691 Q692 A698 M699 W709 V712 Q713 L716 P732 L738Y691-F695 HydrophobicContact CE2-CB 4.3Å; Y691-F695 VanDerWaalsContact O-CB 3.26Å; Y691-F695 WeakPolarHBondContact O-CB 3.25Å; Y691-F695 PolarHBondContact O-N 2.9Å; Q692-F695 PolarHBondContact O-N 3.17Å; F695-A698 PolarHBondContact O-N 2.88Å; F695-M699 HydrophobicContact CD1-CG 4.18Å; F695-M699 HydrophobicContact CD2-CE 4.19Å; F695-M699 HydrophobicContact CE1-CG 3.8Å; F695-M699 HydrophobicContact CE1-SD 4.23Å; F695-M699 HydrophobicContact CE2-CE 3.73Å; F695-M699 HydrophobicContact CE2-SD 4.23Å; F695-M699 HydrophobicContact CZ-CE 3.95Å; F695-M699 HydrophobicContact CZ-CG 4.02Å; F695-M699 HydrophobicContact CZ-SD 3.82Å; F695-M699 WeakPolarHBondContact O-CG 3.35Å; F695-M699 PolarHBondContact O-N 2.86Å; F695-W709 HydrophobicContact CZ-CB 4.41Å; F695-V712 HydrophobicContact CD2-CG1 4.13Å; F695-V712 HydrophobicContact CE2-CB 4.47Å; F695-V712 HydrophobicContact CE2-CG1 4.37Å; F695-Q713 HydrophobicContact CD2-CB 4.26Å; F695-Q713 HydrophobicContact CE2-CB 3.8Å; F695-L716 VanDerWaalsContact CA-CD1 3.5Å; F695-L716 HydrophobicContact CB-CD1 4.1Å; F695-L716 HydrophobicContact CD2-CD1 4.45Å; F695-P732 HydrophobicContact CE1-CB 4.39Å; F695-P732 HydrophobicContact CE1-CG 4.19Å; F695-P732 HydrophobicContact CE2-CG 4.49Å; F695-P732 HydrophobicContact CZ-CB 4.05Å; F695-P732 HydrophobicContact CZ-CG 3.77Å; F695-L738 HydrophobicContact CD1-CD1 3.97Å; F695-L738 HydrophobicContact CE1-CD1 4Å
696D97Very high95.2Very high0 Ų034.1 Ų34.10%016%0.156CC..Hα-helixtrans-57.9-53.8176.1178.834.2000111.8Q692 A698 M699 W700 L738 G746 L747 M748Q692-D696 WeakPolarHBondContact O-CB 3.2Å; Q692-D696 PolarHBondContact O-N 2.76Å; D696-A698 VanDerWaalsContact C-N 3.26Å; D696-A698 PolarHBondContact O-N 2.86Å; D696-M699 WeakPolarHBondContact O-CB 3.41Å; D696-M699 PolarHBondContact O-N 3.15Å; D696-W700 PolarHBondContact OD1-NE1 3.35Å; D696-L738 HydrophobicContact CB-CD1 4.25Å; D696-L738 HydrophobicContact CB-CD2 4.03Å; D696-L738 WeakPolarHBondContact OD1-CD2 3.46Å; D696-G746 PolarHBondContact OD1-N 2.92Å; D696-G746 VanDerWaalsContact OD2-C 3.22Å; D696-G746 WeakPolarHBondContact OD2-CA 3.43Å; D696-G746 PolarHBondContact OD2-N 3.4Å; D696-L747 PolarHBondContact OD2-N 3.42Å; D696-M748 HydrophobicContact CB-CB 3.73Å; D696-M748 HydrophobicContact CB-CG 3.61Å; D696-M748 WeakPolarHBondContact OD2-CB 3.41Å; D696-M748 VanDerWaalsContact OD2-CG 3.27Å; D696-M748 WeakPolarHBondContact OD2-CG 3.41Å; D696-M748 PolarHBondContact OD2-N 2.82Å
697L97.2Very high95.4Very high2 Ų235.9 Ų35.91%0.0117%0.167CC..Hα-helixtrans-56-42176.7-67.7174.5000111.8L393 W397 L411 I412 L416 S693 M699 W700 S701L393-L697 HydrophobicContact CD1-CB 4.49Å; L393-L697 HydrophobicContact CD1-CD2 4.19Å; L393-L697 WeakPolarHBondContact CD1-O 3.45Å; L393-L697 HydrophobicContact CD2-CD2 3.85Å; W397-L697 HydrophobicContact CH2-CD2 4.32Å; L411-L697 HydrophobicContact CD2-CD1 4.02Å; I412-L697 HydrophobicContact CD1-CD1 4.11Å; I412-L697 HydrophobicContact CG1-CD1 3.88Å; L416-L697 HydrophobicContact CD1-CD1 3.69Å; S693-L697 WeakPolarHBondContact O-CG 3.23Å; S693-L697 PolarHBondContact O-N 3.29Å; S693-L697 VanDerWaalsContact O-N 3.1Å; L697-M699 PolarHBondContact O-N 3.06Å; L697-W700 PolarHBondContact O-N 3.4Å; L697-S701 WeakPolarHBondContact O-CB 3.25Å; L697-S701 PolarHBondContact O-N 2.87Å; L697-S701 VanDerWaalsContact O-N 3.12Å
698A97.3Very high95.4Very high2 Ų239.3 Ų39.32%0.01718%0.182CC..Hα-helixtrans-62-42177.400000112.2R694 F695 D696 W700 S701 Y704 V712 L716R694-A698 VanDerWaalsContact O-CB 3.22Å; R694-A698 WeakPolarHBondContact O-CB 3.45Å; R694-A698 PolarHBondContact O-N 3.41Å; F695-A698 PolarHBondContact O-N 2.88Å; D696-A698 VanDerWaalsContact C-N 3.26Å; D696-A698 PolarHBondContact O-N 2.86Å; A698-W700 PolarHBondContact O-N 3.44Å; A698-W700 VanDerWaalsContact O-N 3.17Å; A698-S701 PolarHBondContact O-N 3.42Å; A698-S701 PolarHBondContact O-OG 2.87Å; A698-Y704 HydrophobicContact CB-CD2 3.62Å; A698-Y704 HydrophobicContact CB-CE2 3.94Å; A698-Y704 HydrophobicContact CB-CG 4.12Å; A698-Y704 WeakPolarHBondContact O-CB 3.45Å; A698-V712 HydrophobicContact CB-CG1 3.69Å; A698-L716 HydrophobicContact CB-CD1 4.12Å
699M97Very high95.5Very high4 Ų437.8 Ų37.82%0.0218%0.175CC..Hα-helixtrans-57.1-32.5-178.6-72.9-54.997.500113.6R377 F695 D696 L697 W709 V712 F739R377-M699 PolarHBondContact NE-O 3.32Å; R377-M699 VanDerWaalsContact NE-O 3.13Å; F695-M699 HydrophobicContact CD1-CG 4.18Å; F695-M699 HydrophobicContact CD2-CE 4.19Å; F695-M699 HydrophobicContact CE1-CG 3.8Å; F695-M699 HydrophobicContact CE1-SD 4.23Å; F695-M699 HydrophobicContact CE2-CE 3.73Å; F695-M699 HydrophobicContact CE2-SD 4.23Å; F695-M699 HydrophobicContact CZ-CE 3.95Å; F695-M699 HydrophobicContact CZ-CG 4.02Å; F695-M699 HydrophobicContact CZ-SD 3.82Å; F695-M699 WeakPolarHBondContact O-CG 3.35Å; F695-M699 PolarHBondContact O-N 2.86Å; D696-M699 WeakPolarHBondContact O-CB 3.41Å; D696-M699 PolarHBondContact O-N 3.15Å; L697-M699 PolarHBondContact O-N 3.06Å; M699-W709 HydrophobicContact CE-CB 4.38Å; M699-W709 HydrophobicContact SD-CB 3.84Å; M699-V712 HydrophobicContact CE-CB 3.47Å; M699-V712 VanDerWaalsContact CE-CB 3.47Å; M699-V712 HydrophobicContact CE-CG1 3.4Å; M699-V712 VanDerWaalsContact CE-CG1 3.4Å; M699-V712 HydrophobicContact CE-CG2 3.67Å; M699-F739 HydrophobicContact CG-CZ 4.16Å; M699-F739 HydrophobicContact SD-CZ 4.37Å
700W96.3Very high95.6Very high9 Ų939.1 Ų39.13%0.03419%0.186CC..Hα-helixtrans-105.4-7-173.3-53.1117.6000114.6I376 R377 R380 D391 W392 L393 D696 L697 A698 L738 F739 C745I376-W700 HydrophobicContact CG2-CH2 4.07Å; I376-W700 HydrophobicContact CG2-CZ3 4.34Å; R377-W700 HydrophobicContact CG-CH2 4.35Å; R377-W700 HydrophobicContact CG-CZ3 3.92Å; R380-W700 HydrophobicContact CB-CZ3 4.45Å; R380-W700 HydrophobicContact CG-CZ3 4.46Å; D391-W700 WeakPolarHBondContact CB-O 3.49Å; W392-W700 HydrophobicContact CB-CB 4.13Å; W392-W700 HydrophobicContact CB-CE3 4.47Å; W392-W700 HydrophobicContact CG-CE3 4.36Å; W392-W700 PolarHBondContact N-O 2.88Å; L393-W700 HydrophobicContact CD2-CB 3.74Å; L393-W700 HydrophobicContact CG-CB 3.86Å; D696-W700 PolarHBondContact OD1-NE1 3.35Å; L697-W700 PolarHBondContact O-N 3.4Å; A698-W700 PolarHBondContact O-N 3.44Å; A698-W700 VanDerWaalsContact O-N 3.17Å; W700-L738 HydrophobicContact CZ2-CB 4.47Å; W700-L738 VanDerWaalsContact CZ2-O 3.3Å; W700-L738 WeakPolarHBondContact CZ2-O 3.37Å; W700-F739 AromaticContact CH2-CD1 3.84Å; W700-F739 HydrophobicContact CH2-CD1 3.84Å; W700-F739 AromaticContact CH2-CE1 3.72Å; W700-F739 HydrophobicContact CH2-CE1 3.72Å; W700-F739 HydrophobicContact CZ2-CD1 4.11Å; W700-F739 AromaticContact CZ2-CE1 3.85Å; W700-F739 HydrophobicContact CZ2-CE1 3.85Å; W700-C745 HydrophobicContact CD2-CB 3.98Å; W700-C745 VanDerWaalsContact CE2-CB 3.49Å; W700-C745 HydrophobicContact CG-CB 4.28Å; W700-C745 HydrophobicContact CZ2-CB 3.88Å; W700-C745 VanDerWaalsContact CZ2-SG 3.6Å
701S95.9Very high95.6Very high19 Ų1942.3 Ų42.313%0.13321%0.205CC..SBendtrans-79.1153178.571.80000113.1D391 L697 A698 K703 Y704D391-S701 WeakPolarHBondContact OD2-CA 3.09Å; L697-S701 WeakPolarHBondContact O-CB 3.25Å; L697-S701 PolarHBondContact O-N 2.87Å; L697-S701 VanDerWaalsContact O-N 3.12Å; A698-S701 PolarHBondContact O-N 3.42Å; A698-S701 PolarHBondContact O-OG 2.87Å; S701-K703 VanDerWaalsContact C-N 3.26Å; S701-K703 PolarHBondContact O-N 3.07Å; S701-Y704 WeakPolarHBondContact OG-CD2 3.5Å
702K93.9Very high95.7Very high141 Ų14141.5 Ų41.561%0.61320%0.202SC*.G310 helixtrans-60-35170.9-170.7173.5178.9179.80112.6D391 Y704 C705D391-K702 HydrophobicContact CB-CB 4.08Å; D391-K702 PolarHBondContact OD2-N 3Å; K702-Y704 VanDerWaalsContact C-N 3.33Å; K702-Y704 PolarHBondContact O-N 3.32Å; K702-C705 WeakPolarHBondContact O-CB 3.42Å; K702-C705 PolarHBondContact O-N 3.13Å; K702-C705 PolarHBondContact O-SG 3.47Å
703K94.5Very high95.8Very high161 Ų16139.8 Ų39.870%0.719%0.194SC*.G310 helixtrans-59.3-39.4-174.6-179.6175.4177.9179.20113.3S701S701-K703 VanDerWaalsContact C-N 3.26Å; S701-K703 PolarHBondContact O-N 3.07Å
704Y94.4Very high95.9Very high47 Ų4746.6 Ų46.618%0.18422%0.224CC..G310 helixtrans-105.815.2-175.8-62.6-82.8000112.8R377 A698 S701 K702 E706 T707 V712R377-Y704 PolarHBondContact NH2-O 3.18Å; A698-Y704 HydrophobicContact CB-CD2 3.62Å; A698-Y704 HydrophobicContact CB-CE2 3.94Å; A698-Y704 HydrophobicContact CB-CG 4.12Å; A698-Y704 WeakPolarHBondContact O-CB 3.45Å; S701-Y704 WeakPolarHBondContact OG-CD2 3.5Å; K702-Y704 VanDerWaalsContact C-N 3.33Å; K702-Y704 PolarHBondContact O-N 3.32Å; Y704-E706 VanDerWaalsContact C-N 3.31Å; Y704-E706 PolarHBondContact O-N 2.89Å; Y704-T707 WeakPolarHBondContact O-CB 3.37Å; Y704-T707 PolarHBondContact O-N 3.35Å; Y704-V712 HydrophobicContact CD1-CG2 3.96Å; Y704-V712 HydrophobicContact CG-CG2 4.33Å
705C92.6Very high95.9Very high28 Ų2849.9 Ų49.919%0.18924%0.243CC..THydrogen-bonded Turntrans-62.3-35.4-168.873.30000113.1R381 K702R381-C705 VanDerWaalsContact CZ-CB 3.47Å; R381-C705 PolarHBondContact NH2-O 2.91Å; K702-C705 WeakPolarHBondContact O-CB 3.42Å; K702-C705 PolarHBondContact O-N 3.13Å; K702-C705 PolarHBondContact O-SG 3.47Å
706E92.1Very high95.8Very high154 Ų15450.2 Ų50.272%0.7225%0.245SC*.THydrogen-bonded Turntrans-91.5-2.9174.1-59.4-51.6140.400113.7R381 Y704R381-E706 IonicContact CZ-OE1 3.33Å; R381-E706 IonicContact NH1-OE1 3.85Å; R381-E706 PolarHBondContact NH1-OE1 3.46Å; Y704-E706 VanDerWaalsContact C-N 3.31Å; Y704-E706 PolarHBondContact O-N 2.89Å
707T96Very high95.9Very high43 Ų4351.4 Ų51.426%0.26425%0.25SC..SBendtrans-86.2129.6-179.8-49.70000110.2R377 Y704 T711 V712R377-T707 PolarHBondContact NH1-O 3.1Å; R377-T707 PolarHBondContact NH2-O 3.38Å; Y704-T707 WeakPolarHBondContact O-CB 3.37Å; Y704-T707 PolarHBondContact O-N 3.35Å; T707-T711 HydrophobicContact CG2-CG2 3.97Å; T707-V712 HydrophobicContact CG2-CG2 3.54Å
708K95.2Very high95.8Very high73 Ų7360 Ų6032%0.31729%0.287SS..  trans-62.4141.7174-170.9172.2-178.8161.60111D370 S710 T711 V712D370-K708 WeakPolarHBondContact OD1-CE 3.31Å; D370-K708 IonicContact OD1-NZ 3.26Å; D370-K708 PolarHBondContact OD1-NZ 3.05Å; D370-K708 WeakPolarHBondContact OD2-CE 3.46Å; D370-K708 IonicContact OD2-NZ 2.65Å; D370-K708 PolarHBondContact OD2-NZ 2.92Å; K708-S710 WeakPolarHBondContact CD-OG 3.26Å; K708-S710 WeakPolarHBondContact CG-OG 3.36Å; K708-S710 PolarHBondContact O-N 2.82Å; K708-S710 VanDerWaalsContact O-N 3.16Å; K708-T711 WeakPolarHBondContact O-CB 3.36Å; K708-T711 PolarHBondContact O-N 3.45Å; K708-V712 PolarHBondContact O-N 3.31Å; K708-V712 VanDerWaalsContact O-N 3.13Å
709W94.9Very high95.8Very high8 Ų863.3 Ų63.33%0.0330%0.304CS..Hα-helixtrans-55.1-37.5-177.867.1-98.4000112.4D370 I373 F695 M699 T711 V712 Q713 T730 P732 C733D370-W709 PolarHBondContact OD1-NE1 3.43Å; I373-W709 HydrophobicContact CD1-CG 4.34Å; I373-W709 HydrophobicContact CG2-CB 4.28Å; I373-W709 HydrophobicContact CG2-CG 4.27Å; F695-W709 HydrophobicContact CZ-CB 4.41Å; M699-W709 HydrophobicContact CE-CB 4.38Å; M699-W709 HydrophobicContact SD-CB 3.84Å; W709-T711 VanDerWaalsContact C-N 3.32Å; W709-T711 PolarHBondContact O-N 2.99Å; W709-V712 PolarHBondContact O-N 3.42Å; W709-Q713 WeakPolarHBondContact O-CB 3.22Å; W709-Q713 PolarHBondContact O-N 3.26Å; W709-T730 HydrophobicContact CH2-CG2 4.08Å; W709-P732 HydrophobicContact CD2-CB 4.12Å; W709-P732 HydrophobicContact CE3-CB 3.58Å; W709-P732 HydrophobicContact CE3-CG 3.65Å; W709-P732 HydrophobicContact CZ3-CB 3.89Å; W709-P732 HydrophobicContact CZ3-CG 3.76Å; W709-C733 VanDerWaalsContact CZ2-SG 3.53Å
710S95.1Very high95.8Very high42 Ų4263.1 Ų63.129%0.29430%0.303SS..Hα-helixtrans-64.9-36.3-179.958.90000112.3K708 K714K708-S710 WeakPolarHBondContact CD-OG 3.26Å; K708-S710 WeakPolarHBondContact CG-OG 3.36Å; K708-S710 PolarHBondContact O-N 2.82Å; K708-S710 VanDerWaalsContact O-N 3.16Å; S710-K714 WeakPolarHBondContact O-CB 3.4Å; S710-K714 PolarHBondContact O-N 3.34Å
711T97Very high95.7Very high66 Ų6663.2 Ų63.241%0.40530%0.304SS..Hα-helixtrans-70.5-41175.1-54.80000110.7T707 K708 W709 K714 N715T707-T711 HydrophobicContact CG2-CG2 3.97Å; K708-T711 WeakPolarHBondContact O-CB 3.36Å; K708-T711 PolarHBondContact O-N 3.45Å; W709-T711 VanDerWaalsContact C-N 3.32Å; W709-T711 PolarHBondContact O-N 2.99Å; T711-K714 PolarHBondContact O-N 3.39Å; T711-N715 WeakPolarHBondContact O-CB 3.4Å; T711-N715 PolarHBondContact O-N 3.45Å; T711-N715 PolarHBondContact O-ND2 3.36Å
712V97.3Very high95.7Very high2 Ų263.9 Ų63.91%0.01231%0.308CS..Hα-helixtrans-62.7-46.3175-179.70000110.9F695 A698 M699 Y704 T707 K708 W709 N715 L716F695-V712 HydrophobicContact CD2-CG1 4.13Å; F695-V712 HydrophobicContact CE2-CB 4.47Å; F695-V712 HydrophobicContact CE2-CG1 4.37Å; A698-V712 HydrophobicContact CB-CG1 3.69Å; M699-V712 HydrophobicContact CE-CB 3.47Å; M699-V712 VanDerWaalsContact CE-CB 3.47Å; M699-V712 HydrophobicContact CE-CG1 3.4Å; M699-V712 VanDerWaalsContact CE-CG1 3.4Å; M699-V712 HydrophobicContact CE-CG2 3.67Å; Y704-V712 HydrophobicContact CD1-CG2 3.96Å; Y704-V712 HydrophobicContact CG-CG2 4.33Å; T707-V712 HydrophobicContact CG2-CG2 3.54Å; K708-V712 PolarHBondContact O-N 3.31Å; K708-V712 VanDerWaalsContact O-N 3.13Å; W709-V712 PolarHBondContact O-N 3.42Å; V712-N715 PolarHBondContact O-N 2.95Å; V712-L716 HydrophobicContact CG1-CD1 3.67Å; V712-L716 HydrophobicContact CG1-CG 4.22Å; V712-L716 WeakPolarHBondContact O-CB 3.43Å; V712-L716 WeakPolarHBondContact O-CG 3.43Å; V712-L716 PolarHBondContact O-N 3.1Å
713Q97Very high95.6Very high4 Ų458.6 Ų58.62%0.01928%0.284CS..Hα-helixtrans-57-52.7175.4167.5170.710.600111Y691 F695 W709 N715 L716 W717 L725 D729 P732Y691-Q713 WeakPolarHBondContact OH-CG 3.36Å; F695-Q713 HydrophobicContact CD2-CB 4.26Å; F695-Q713 HydrophobicContact CE2-CB 3.8Å; W709-Q713 WeakPolarHBondContact O-CB 3.22Å; W709-Q713 PolarHBondContact O-N 3.26Å; Q713-N715 VanDerWaalsContact C-N 3.3Å; Q713-N715 PolarHBondContact O-N 3Å; Q713-L716 PolarHBondContact O-N 3.09Å; Q713-W717 WeakPolarHBondContact O-CB 3.31Å; Q713-W717 PolarHBondContact O-N 2.71Å; Q713-L725 HydrophobicContact CG-CD1 4.34Å; Q713-L725 HydrophobicContact CG-CD2 3.73Å; Q713-D729 PolarHBondContact NE2-OD1 3.12Å; Q713-P732 VanDerWaalsContact OE1-CG 3.27Å
714K97.4Very high95.6Very high144 Ų14456.2 Ų56.263%0.62629%0.286SS*.Hα-helixtrans-56.8-44.3-179.2-175.7176.7-179.7176.80112.2S710 T711 K718 L725S710-K714 WeakPolarHBondContact O-CB 3.4Å; S710-K714 PolarHBondContact O-N 3.34Å; T711-K714 PolarHBondContact O-N 3.39Å; K714-K718 WeakPolarHBondContact O-CB 3.16Å; K714-K718 PolarHBondContact O-N 3.13Å; K714-L725 HydrophobicContact CB-CD2 4.5Å
715N97.2Very high95.6Very high96 Ų9656.2 Ų56.251%0.51329%0.288SS..Hα-helixtrans-70.3-46.3-178.3-69.4-12.8000112.2T711 V712 Q713 L719T711-N715 WeakPolarHBondContact O-CB 3.4Å; T711-N715 PolarHBondContact O-N 3.45Å; T711-N715 PolarHBondContact O-ND2 3.36Å; V712-N715 PolarHBondContact O-N 2.95Å; Q713-N715 VanDerWaalsContact C-N 3.3Å; Q713-N715 PolarHBondContact O-N 3Å; N715-L719 PolarHBondContact O-N 2.75Å
716L97.2Very high95.7Very high9 Ų957 Ų575%0.04729%0.289CS..Hα-helixtrans-69.6-38.7179.1-70.6178000111.6Y691 R694 F695 A698 V712 Q713 K718 L719 H720Y691-L716 HydrophobicContact CD2-CB 3.97Å; Y691-L716 HydrophobicContact CE2-CB 4.01Å; R694-L716 HydrophobicContact CB-CD1 4.24Å; R694-L716 HydrophobicContact CB-CD2 4.31Å; F695-L716 VanDerWaalsContact CA-CD1 3.5Å; F695-L716 HydrophobicContact CB-CD1 4.1Å; F695-L716 HydrophobicContact CD2-CD1 4.45Å; A698-L716 HydrophobicContact CB-CD1 4.12Å; V712-L716 HydrophobicContact CG1-CD1 3.67Å; V712-L716 HydrophobicContact CG1-CG 4.22Å; V712-L716 WeakPolarHBondContact O-CB 3.43Å; V712-L716 WeakPolarHBondContact O-CG 3.43Å; V712-L716 PolarHBondContact O-N 3.1Å; Q713-L716 PolarHBondContact O-N 3.09Å; L716-K718 PolarHBondContact O-N 3.4Å; L716-L719 WeakPolarHBondContact O-CB 3.21Å; L716-L719 PolarHBondContact O-N 2.76Å; L716-L719 VanDerWaalsContact O-N 3.08Å; L716-H720 PolarHBondContact O-N 3.36Å; L716-H720 VanDerWaalsContact O-N 3.16Å; L716-H720 PolarHBondContact O-ND1 3.31Å
717W97.4Very high95.7Very high26 Ų2654.7 Ų54.710%0.09829%0.29CS..Hα-helixtrans-57.5-50.1176.5-174.1-79.4000111.2Y691 Q713 L719 H720 M721 Y723 L725Y691-W717 HydrophobicContact CD1-CE3 4.2Å; Y691-W717 HydrophobicContact CD1-CZ3 4.36Å; Y691-W717 HydrophobicContact CD2-CE3 4.48Å; Y691-W717 AromaticContact CE1-CE3 3.9Å; Y691-W717 HydrophobicContact CE1-CE3 3.9Å; Y691-W717 HydrophobicContact CE1-CZ3 4.09Å; Y691-W717 HydrophobicContact CE2-CB 4.28Å; Y691-W717 HydrophobicContact CE2-CE3 4.2Å; Y691-W717 HydrophobicContact CG-CE3 4.5Å; Y691-W717 AromaticContact CZ-CE3 3.92Å; Q713-W717 WeakPolarHBondContact O-CB 3.31Å; Q713-W717 PolarHBondContact O-N 2.71Å; W717-L719 PolarHBondContact O-N 2.98Å; W717-L719 VanDerWaalsContact O-N 3.15Å; W717-H720 PolarHBondContact O-N 3.1Å; W717-H720 VanDerWaalsContact O-N 3.1Å; W717-M721 HydrophobicContact CD2-CB 4.15Å; W717-M721 HydrophobicContact CD2-CG 3.63Å; W717-M721 HydrophobicContact CE3-CG 3.94Å; W717-M721 HydrophobicContact CG-CB 4.31Å; W717-M721 HydrophobicContact CG-CG 4.09Å; W717-M721 HydrophobicContact CH2-CG 4.25Å; W717-M721 HydrophobicContact CZ2-CB 4.23Å; W717-M721 HydrophobicContact CZ2-CG 3.95Å; W717-M721 HydrophobicContact CZ3-CG 4.23Å; W717-M721 PolarHBondContact O-N 3.34Å; W717-Y723 HydrophobicContact CH2-CE2 4.14Å; W717-Y723 AromaticContact CZ2-CD2 3.98Å; W717-Y723 HydrophobicContact CZ2-CD2 3.98Å; W717-Y723 AromaticContact CZ2-CE2 3.47Å; W717-Y723 HydrophobicContact CZ2-CE2 3.47Å; W717-Y723 VanDerWaalsContact CZ2-CE2 3.47Å; W717-Y723 PolarHBondContact NE1-O 3.3Å; W717-L725 HydrophobicContact CB-CB 4.31Å; W717-L725 HydrophobicContact CD2-CB 4.09Å; W717-L725 HydrophobicContact CD2-CD1 3.6Å; W717-L725 HydrophobicContact CD2-CG 4.42Å; W717-L725 HydrophobicContact CE3-CD1 3.75Å; W717-L725 HydrophobicContact CG-CB 3.71Å; W717-L725 HydrophobicContact CG-CD1 3.98Å; W717-L725 HydrophobicContact CG-CG 4.33Å; W717-L725 HydrophobicContact CH2-CD1 4.4Å; W717-L725 HydrophobicContact CZ2-CD1 4.29Å; W717-L725 HydrophobicContact CZ3-CD1 4.15Å; W717-L725 VanDerWaalsContact NE1-N 3.12Å
718K96.8Very high95.4Very high181 Ų18155 Ų5579%0.78729%0.29SS*.Hα-helixtrans-57-30.5176.7-177.1179.1176.9-176.50113K714 L716K714-K718 WeakPolarHBondContact O-CB 3.16Å; K714-K718 PolarHBondContact O-N 3.13Å; L716-K718 PolarHBondContact O-N 3.4Å
719L96.1Very high95.4Very high72 Ų7252.4 Ų52.438%0.37728%0.28SS..Hα-helixtrans-81.6-22.1-178.7-173.564.5000113.5R420 N715 L716 W717R420-L719 PolarHBondContact NH1-O 2.93Å; N715-L719 PolarHBondContact O-N 2.75Å; L716-L719 WeakPolarHBondContact O-CB 3.21Å; L716-L719 PolarHBondContact O-N 2.76Å; L716-L719 VanDerWaalsContact O-N 3.08Å; W717-L719 PolarHBondContact O-N 2.98Å; W717-L719 VanDerWaalsContact O-N 3.15Å
720H96.7Very high95.3Very high1 Ų153.3 Ų53.31%0.00529%0.286CS..Hα-helixtrans-113-41.5-172.1-65.772000113R420 L687 R694 L716 W717R420-H720 VanDerWaalsContact CD-NE2 3.35Å; R420-H720 WeakPolarHBondContact CD-NE2 3.49Å; L687-H720 WeakPolarHBondContact CD1-O 3.16Å; L687-H720 WeakPolarHBondContact CD2-O 3.2Å; R694-H720 WeakPolarHBondContact CG-NE2 3.38Å; L716-H720 PolarHBondContact O-N 3.36Å; L716-H720 VanDerWaalsContact O-N 3.16Å; L716-H720 PolarHBondContact O-ND1 3.31Å; W717-H720 PolarHBondContact O-N 3.1Å; W717-H720 VanDerWaalsContact O-N 3.1Å
721M95.9Very high95.2Very high11 Ų1153.3 Ų53.35%0.05428%0.283CS..  trans-95.5136.4-168.6-57-51.8-67.400111.6L687 Q688 W717 Y723L687-M721 HydrophobicContact CB-SD 4.18Å; Q688-M721 HydrophobicContact CB-CE 4.35Å; W717-M721 HydrophobicContact CD2-CB 4.15Å; W717-M721 HydrophobicContact CD2-CG 3.63Å; W717-M721 HydrophobicContact CE3-CG 3.94Å; W717-M721 HydrophobicContact CG-CB 4.31Å; W717-M721 HydrophobicContact CG-CG 4.09Å; W717-M721 HydrophobicContact CH2-CG 4.25Å; W717-M721 HydrophobicContact CZ2-CB 4.23Å; W717-M721 HydrophobicContact CZ2-CG 3.95Å; W717-M721 HydrophobicContact CZ3-CG 4.23Å; W717-M721 PolarHBondContact O-N 3.34Å; M721-Y723 HydrophobicContact CE-CE1 3.55Å; M721-Y723 HydrophobicContact CE-CE2 4.42Å; M721-Y723 VanDerWaalsContact CE-CZ 3.45Å; M721-Y723 WeakPolarHBondContact CE-OH 3.15Å; M721-Y723 PolarHBondContact O-N 2.62Å
722P94.1Very high95.1Very high33 Ų3350.4 Ų50.421%0.21427%0.265CS..SBendtrans-809.3179.732-33.2000113.6E428 F431 L684E428-P722 HydrophobicContact CG-CB 4.1Å; F431-P722 HydrophobicContact CB-CB 4.07Å; F431-P722 HydrophobicContact CB-CG 3.74Å; F431-P722 HydrophobicContact CD2-CG 4.4Å; F431-P722 HydrophobicContact CG-CB 4.36Å; F431-P722 HydrophobicContact CG-CG 4Å; L684-P722 HydrophobicContact CD2-CG 3.63Å
723Y93Very high94.9Very high29 Ų2950.4 Ų50.411%0.11427%0.265CS..SBendtrans-139152.2179.154.7-89.9000110.6F431 V454 W717 M721F431-Y723 AromaticContact CD2-CD1 3.86Å; F431-Y723 HydrophobicContact CD2-CD1 3.86Å; F431-Y723 HydrophobicContact CD2-CE1 4.39Å; F431-Y723 HydrophobicContact CE1-CD1 4.48Å; F431-Y723 AromaticContact CE2-CD1 3.55Å; F431-Y723 HydrophobicContact CE2-CD1 3.55Å; F431-Y723 HydrophobicContact CE2-CE1 4.17Å; F431-Y723 HydrophobicContact CE2-CG 4.09Å; F431-Y723 HydrophobicContact CG-CD1 4.46Å; F431-Y723 AromaticContact CZ-CD1 3.9Å; F431-Y723 HydrophobicContact CZ-CD1 3.9Å; F431-Y723 HydrophobicContact CZ-CG 4.02Å; V454-Y723 HydrophobicContact CG1-CE1 4.08Å; V454-Y723 HydrophobicContact CG2-CE2 4.27Å; W717-Y723 HydrophobicContact CH2-CE2 4.14Å; W717-Y723 AromaticContact CZ2-CD2 3.98Å; W717-Y723 HydrophobicContact CZ2-CD2 3.98Å; W717-Y723 AromaticContact CZ2-CE2 3.47Å; W717-Y723 HydrophobicContact CZ2-CE2 3.47Å; W717-Y723 VanDerWaalsContact CZ2-CE2 3.47Å; W717-Y723 PolarHBondContact NE1-O 3.3Å; M721-Y723 HydrophobicContact CE-CE1 3.55Å; M721-Y723 HydrophobicContact CE-CE2 4.42Å; M721-Y723 VanDerWaalsContact CE-CZ 3.45Å; M721-Y723 WeakPolarHBondContact CE-OH 3.15Å; M721-Y723 PolarHBondContact O-N 2.62Å
724P93.8Very high94.6Very high112 Ų11250.2 Ų50.273%0.72726%0.264SS*.PPolyproline II helixtrans-67.4151.1-172.827.7-35.4000112.6
725L95.4Very high94.4Very high46 Ų4644.8 Ų44.824%0.24124%0.24CC..PPolyproline II helixtrans-71.4126.9169.2-178.169.6000108.7Q713 K714 W717 D729Q713-L725 HydrophobicContact CG-CD1 4.34Å; Q713-L725 HydrophobicContact CG-CD2 3.73Å; K714-L725 HydrophobicContact CB-CD2 4.5Å; W717-L725 HydrophobicContact CB-CB 4.31Å; W717-L725 HydrophobicContact CD2-CB 4.09Å; W717-L725 HydrophobicContact CD2-CD1 3.6Å; W717-L725 HydrophobicContact CD2-CG 4.42Å; W717-L725 HydrophobicContact CE3-CD1 3.75Å; W717-L725 HydrophobicContact CG-CB 3.71Å; W717-L725 HydrophobicContact CG-CD1 3.98Å; W717-L725 HydrophobicContact CG-CG 4.33Å; W717-L725 HydrophobicContact CH2-CD1 4.4Å; W717-L725 HydrophobicContact CZ2-CD1 4.29Å; W717-L725 HydrophobicContact CZ3-CD1 4.15Å; W717-L725 VanDerWaalsContact NE1-N 3.12Å; L725-D729 HydrophobicContact CD1-CB 3.88Å; L725-D729 WeakPolarHBondContact CD1-OD2 3.36Å; L725-D729 HydrophobicContact CG-CB 4.47Å
726H94.5Very high93.9Very high46 Ų4642.7 Ų42.721%0.21323%0.228CC..PPolyproline II helixtrans-69.4143.2176.4-171.3-81.7000111.3W347 P451 D728 D729W347-H726 HydrophobicContact CH2-CB 3.7Å; W347-H726 AromaticContact CH2-CG 3.65Å; W347-H726 AromaticContact CH2-ND1 3.64Å; W347-H726 HydrophobicContact CZ2-CB 4.34Å; W347-H726 AromaticContact CZ3-ND1 3.86Å; P451-H726 HydrophobicContact CG-CB 3.67Å; H726-D728 PolarHBondContact ND1-N 3.48Å; H726-D728 VanDerWaalsContact ND1-N 3.14Å; H726-D728 PolarHBondContact O-N 2.87Å; H726-D729 WeakPolarHBondContact O-CB 3.43Å; H726-D729 PolarHBondContact O-N 3.1Å; H726-D729 VanDerWaalsContact O-N 3.1Å
727S92.4Very high93.4Very high105 Ų10544.6 Ų44.673%0.73424%0.238SC*.THydrogen-bonded Turntrans-60.8-33.1-174.4550000113.8
728D89.3Confident93.1Very high49 Ų4943.3 Ų43.326%0.26223%0.234SC..THydrogen-bonded Turntrans-85.6-5.7-178.7-71.822.4000113.5R352 H726 T730R352-D728 HydrophobicContact CG-CB 4.26Å; R352-D728 IonicContact CZ-OD2 3.79Å; R352-D728 IonicContact NH1-OD2 2.88Å; R352-D728 PolarHBondContact NH1-OD2 2.9Å; H726-D728 PolarHBondContact ND1-N 3.48Å; H726-D728 VanDerWaalsContact ND1-N 3.14Å; H726-D728 PolarHBondContact O-N 2.87Å; D728-T730 PolarHBondContact O-N 3.19Å
729D93.8Very high92.9Very high19 Ų1934.7 Ų34.710%0.10220%0.196CC..  trans-69.5103.5178.6-176.3-12.8000110W347 Q713 L725 H726 L731W347-D729 HydrophobicContact CH2-CB 4.39Å; W347-D729 HydrophobicContact CZ2-CB 4.36Å; Q713-D729 PolarHBondContact NE2-OD1 3.12Å; L725-D729 HydrophobicContact CD1-CB 3.88Å; L725-D729 WeakPolarHBondContact CD1-OD2 3.36Å; L725-D729 HydrophobicContact CG-CB 4.47Å; H726-D729 WeakPolarHBondContact O-CB 3.43Å; H726-D729 PolarHBondContact O-N 3.1Å; H726-D729 VanDerWaalsContact O-N 3.1Å; D729-L731 WeakPolarHBondContact OD1-CB 3.42Å; D729-L731 PolarHBondContact OD1-N 2.65Å
730T93.9Very high92.6Very high27 Ų2731.3 Ų31.317%0.16618%0.178CC..  trans-123.628.4175.858.70000111.3V351 S355 W709 D728 P732 C733V351-T730 CarbonylContact O-C 3.6Å; V351-T730 WeakPolarHBondContact O-CA 3.45Å; V351-T730 PolarHBondContact O-N 3.04Å; V351-T730 VanDerWaalsContact O-N 3.15Å; V351-T730 PolarHBondContact O-OG1 3.06Å; S355-T730 WeakPolarHBondContact CB-OG1 3.46Å; S355-T730 PolarHBondContact OG-OG1 2.81Å; W709-T730 HydrophobicContact CH2-CG2 4.08Å; D728-T730 PolarHBondContact O-N 3.19Å; T730-P732 WeakPolarHBondContact O-CD 3.41Å; T730-C733 VanDerWaalsContact O-CB 3.27Å; T730-C733 WeakPolarHBondContact O-CB 3.33Å; T730-C733 PolarHBondContact O-N 3.19Å
731L92.2Very high91.6Very high42 Ų4232.3 Ų32.322%0.2219%0.185CC..G310 helixtrans-47.4-36-177.5-174.867.2000113.7W350 V351 D729 C733 S734 Y735W350-L731 HydrophobicContact CD2-CD1 4.45Å; W350-L731 HydrophobicContact CZ2-CD1 4.12Å; V351-L731 PolarHBondContact O-N 2.75Å; D729-L731 WeakPolarHBondContact OD1-CB 3.42Å; D729-L731 PolarHBondContact OD1-N 2.65Å; L731-C733 PolarHBondContact O-N 2.87Å; L731-C733 VanDerWaalsContact O-N 3.1Å; L731-S734 CarbonylContact O-C 3.52Å; L731-S734 PolarHBondContact O-N 3.45Å; L731-S734 PolarHBondContact O-OG 3.22Å; L731-Y735 PolarHBondContact O-N 3.44Å
732P94.6Very high90.6Very high5 Ų534.2 Ų34.23%0.03220%0.195CC..G310 helixtrans-53.3-30.2173.7-31.840.2000115.2F695 W709 Q713 T730 S734 Y735F695-P732 HydrophobicContact CE1-CB 4.39Å; F695-P732 HydrophobicContact CE1-CG 4.19Å; F695-P732 HydrophobicContact CE2-CG 4.49Å; F695-P732 HydrophobicContact CZ-CB 4.05Å; F695-P732 HydrophobicContact CZ-CG 3.77Å; W709-P732 HydrophobicContact CD2-CB 4.12Å; W709-P732 HydrophobicContact CE3-CB 3.58Å; W709-P732 HydrophobicContact CE3-CG 3.65Å; W709-P732 HydrophobicContact CZ3-CB 3.89Å; W709-P732 HydrophobicContact CZ3-CG 3.76Å; Q713-P732 VanDerWaalsContact OE1-CG 3.27Å; T730-P732 WeakPolarHBondContact O-CD 3.41Å; P732-S734 PolarHBondContact O-N 3.16Å; P732-Y735 PolarHBondContact O-N 3.17Å
733C93.9Very high90.1Very high1 Ų133.6 Ų33.61%0.00719%0.192CC..G310 helixtrans-63.5-18.6175.2-67.50000113.6F250 A354 N369 W709 T730 L731F250-C733 WeakPolarHBondContact CE2-O 3.33Å; F250-C733 VanDerWaalsContact CZ-O 3.28Å; F250-C733 WeakPolarHBondContact CZ-O 3.49Å; A354-C733 WeakPolarHBondContact O-CB 3.49Å; N369-C733 HydrophobicContact CB-CB 4.32Å; N369-C733 VanDerWaalsContact CB-O 3.31Å; N369-C733 WeakPolarHBondContact CB-O 3.26Å; N369-C733 PolarHBondContact ND2-O 2.92Å; W709-C733 VanDerWaalsContact CZ2-SG 3.53Å; T730-C733 VanDerWaalsContact O-CB 3.27Å; T730-C733 WeakPolarHBondContact O-CB 3.33Å; T730-C733 PolarHBondContact O-N 3.19Å; L731-C733 PolarHBondContact O-N 2.87Å; L731-C733 VanDerWaalsContact O-N 3.1Å
734S91.9Very high89.6Confident1 Ų133.1 Ų33.11%0.00719%0.191CC..G310 helixtrans-121.715.8175.273.10000113.7R353 L731 P732 I736R353-S734 PolarHBondContact NH2-OG 3.45Å; L731-S734 CarbonylContact O-C 3.52Å; L731-S734 PolarHBondContact O-N 3.45Å; L731-S734 PolarHBondContact O-OG 3.22Å; P732-S734 PolarHBondContact O-N 3.16Å; S734-I736 PolarHBondContact O-N 2.93Å
735Y91.4Very high89.4Confident29 Ų2928.2 Ų28.211%0.11416%0.159CC..  trans-82.679.1-175.8-160.1-171.6000112.5L731 P732 N737 L738 F739L731-Y735 PolarHBondContact O-N 3.44Å; P732-Y735 PolarHBondContact O-N 3.17Å; Y735-N737 HydrophobicContact CD2-CB 4.11Å; Y735-N737 HydrophobicContact CE2-CB 3.76Å; Y735-N737 PolarHBondContact O-N 3.35Å; Y735-N737 VanDerWaalsContact O-N 3.15Å; Y735-L738 HydrophobicContact CD1-CB 4.43Å; Y735-L738 HydrophobicContact CD1-CD1 3.5Å; Y735-L738 VanDerWaalsContact CD1-CD1 3.5Å; Y735-L738 HydrophobicContact CD1-CG 3.65Å; Y735-L738 HydrophobicContact CE1-CD1 3.59Å; Y735-L738 HydrophobicContact CE1-CG 3.72Å; Y735-L738 HydrophobicContact CG-CD1 4.45Å; Y735-L738 HydrophobicContact CG-CG 4.19Å; Y735-L738 PolarHBondContact O-N 3.25Å; Y735-F739 PolarHBondContact O-N 2.85Å
736I87.8Confident89.3Confident52 Ų5226 Ų2627%0.26715%0.148SC..Hα-helixtrans-57.1-29.6-175.6-164.1176.4000113.9Q251 I254 S734 L738 G740Q251-I736 HydrophobicContact CG-CD1 3.5Å; Q251-I736 HydrophobicContact CG-CG1 4.14Å; I254-I736 HydrophobicContact CD1-CB 4.46Å; S734-I736 PolarHBondContact O-N 2.93Å; I736-L738 PolarHBondContact O-N 3.33Å; I736-G740 WeakPolarHBondContact O-CA 3.16Å; I736-G740 PolarHBondContact O-N 3.15Å
737N85.5Confident89.1Confident49 Ų4924.9 Ų24.926%0.26214%0.143SC..Hα-helixtrans-66.5-19.7179.5-67.7-5.7000112.9Y735 S743 I744Y735-N737 HydrophobicContact CD2-CB 4.11Å; Y735-N737 HydrophobicContact CE2-CB 3.76Å; Y735-N737 PolarHBondContact O-N 3.35Å; Y735-N737 VanDerWaalsContact O-N 3.15Å; N737-S743 CarbonylContact O-C 3.6Å; N737-S743 WeakPolarHBondContact O-CA 3.12Å; N737-S743 VanDerWaalsContact O-CB 3.25Å; N737-S743 WeakPolarHBondContact O-CB 3.37Å; N737-I744 PolarHBondContact O-N 2.84Å
738L91.5Very high89.1Confident0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-106.9-34178.9-60.2-167.7000113.4R380 F695 D696 W700 Y735 I736 S743 C745 M748R380-L738 PolarHBondContact NH1-O 3.24Å; F695-L738 HydrophobicContact CD1-CD1 3.97Å; F695-L738 HydrophobicContact CE1-CD1 4Å; D696-L738 HydrophobicContact CB-CD1 4.25Å; D696-L738 HydrophobicContact CB-CD2 4.03Å; D696-L738 WeakPolarHBondContact OD1-CD2 3.46Å; W700-L738 HydrophobicContact CZ2-CB 4.47Å; W700-L738 VanDerWaalsContact CZ2-O 3.3Å; W700-L738 WeakPolarHBondContact CZ2-O 3.37Å; Y735-L738 HydrophobicContact CD1-CB 4.43Å; Y735-L738 HydrophobicContact CD1-CD1 3.5Å; Y735-L738 VanDerWaalsContact CD1-CD1 3.5Å; Y735-L738 HydrophobicContact CD1-CG 3.65Å; Y735-L738 HydrophobicContact CE1-CD1 3.59Å; Y735-L738 HydrophobicContact CE1-CG 3.72Å; Y735-L738 HydrophobicContact CG-CD1 4.45Å; Y735-L738 HydrophobicContact CG-CG 4.19Å; Y735-L738 PolarHBondContact O-N 3.25Å; I736-L738 PolarHBondContact O-N 3.33Å; L738-S743 VanDerWaalsContact C-CB 3.42Å; L738-S743 VanDerWaalsContact O-CB 3.32Å; L738-S743 WeakPolarHBondContact O-CB 3.27Å; L738-C745 PolarHBondContact O-SG 2.82Å; L738-M748 HydrophobicContact CD2-CG 3.68Å; L738-M748 HydrophobicContact CD2-SD 4.25Å
739F94Very high89.3Confident0 Ų017.8 Ų17.80%010%0.097CC..Hα-helixtrans-123.34.2-169.5-52.3-66.9000114.2E247 F250 I373 I376 M699 W700 Y735E247-F739 WeakPolarHBondContact CG-O 3.49Å; F250-F739 HydrophobicContact CD1-CB 3.99Å; F250-F739 HydrophobicContact CD2-CB 3.88Å; F250-F739 HydrophobicContact CE1-CB 3.73Å; F250-F739 HydrophobicContact CE2-CB 3.63Å; F250-F739 HydrophobicContact CE2-CD2 4.06Å; F250-F739 HydrophobicContact CE2-CG 4.12Å; F250-F739 HydrophobicContact CG-CB 4.08Å; F250-F739 HydrophobicContact CZ-CB 3.58Å; F250-F739 AromaticContact CZ-CD2 3.86Å; F250-F739 HydrophobicContact CZ-CD2 3.86Å; F250-F739 HydrophobicContact CZ-CG 4.15Å; I373-F739 HydrophobicContact CB-CE1 4.49Å; I373-F739 HydrophobicContact CD1-CD2 4.31Å; I373-F739 HydrophobicContact CD1-CE2 4.12Å; I373-F739 HydrophobicContact CG1-CD1 4.3Å; I373-F739 HydrophobicContact CG1-CD2 4.01Å; I373-F739 HydrophobicContact CG1-CE1 4.39Å; I373-F739 HydrophobicContact CG1-CE2 4.09Å; I373-F739 HydrophobicContact CG1-CG 4.12Å; I373-F739 HydrophobicContact CG1-CZ 4.28Å; I373-F739 HydrophobicContact CG2-CD1 4.31Å; I373-F739 HydrophobicContact CG2-CE1 3.72Å; I373-F739 HydrophobicContact CG2-CE2 4.35Å; I373-F739 HydrophobicContact CG2-CZ 3.74Å; I376-F739 HydrophobicContact CD1-CB 4.06Å; I376-F739 WeakPolarHBondContact CD1-O 3.42Å; M699-F739 HydrophobicContact CG-CZ 4.16Å; M699-F739 HydrophobicContact SD-CZ 4.37Å; W700-F739 AromaticContact CH2-CD1 3.84Å; W700-F739 HydrophobicContact CH2-CD1 3.84Å; W700-F739 AromaticContact CH2-CE1 3.72Å; W700-F739 HydrophobicContact CH2-CE1 3.72Å; W700-F739 HydrophobicContact CZ2-CD1 4.11Å; W700-F739 AromaticContact CZ2-CE1 3.85Å; W700-F739 HydrophobicContact CZ2-CE1 3.85Å; Y735-F739 PolarHBondContact O-N 2.85Å
740G88.5Confident89.2Confident0 Ų017.6 Ų17.60%010%0.095CC..SBendtrans-97.2172.617800000114.5E247 I736 N742 S743E247-G740 VanDerWaalsContact OE1-O 3.14Å; I736-G740 WeakPolarHBondContact O-CA 3.16Å; I736-G740 PolarHBondContact O-N 3.15Å; G740-N742 PolarHBondContact O-N 3.16Å; G740-S743 WeakPolarHBondContact O-CB 3.37Å; G740-S743 PolarHBondContact O-N 2.9Å; G740-S743 PolarHBondContact O-OG 2.7Å
741P77Confident88.9Confident22 Ų2217.9 Ų17.914%0.1439%0.094CC..THydrogen-bonded Turntrans-62.9-10.5-172.8-26.836.6000116.9E247 Q251E247-P741 HydrophobicContact CB-CG 4Å; Q251-P741 VanDerWaalsContact OE1-CG 3.32Å
742N73.1Confident88.9Confident51 Ų5115.9 Ų15.927%0.2738%0.084SC..THydrogen-bonded Turntrans-131.952.6173-59.8-53.2000107.8R13 G740R13-N742 VanDerWaalsContact NH1-C 3.26Å; R13-N742 PolarHBondContact NH1-O 3.31Å; G740-N742 PolarHBondContact O-N 3.16Å
743S84.2Confident88.8Confident21 Ų2116.9 Ų16.915%0.1479%0.087CC..  trans-75.4161.617646.60000111.1R13 E247 R380 N737 L738 G740 C745R13-S743 PolarHBondContact NH1-O 3.13Å; R13-S743 VanDerWaalsContact NH1-O 3.1Å; E247-S743 PolarHBondContact OE1-OG 3.14Å; R380-S743 PolarHBondContact NH2-OG 3.32Å; R380-S743 VanDerWaalsContact NH2-OG 3.13Å; N737-S743 CarbonylContact O-C 3.6Å; N737-S743 WeakPolarHBondContact O-CA 3.12Å; N737-S743 VanDerWaalsContact O-CB 3.25Å; N737-S743 WeakPolarHBondContact O-CB 3.37Å; L738-S743 VanDerWaalsContact C-CB 3.42Å; L738-S743 VanDerWaalsContact O-CB 3.32Å; L738-S743 WeakPolarHBondContact O-CB 3.27Å; G740-S743 WeakPolarHBondContact O-CB 3.37Å; G740-S743 PolarHBondContact O-N 2.9Å; G740-S743 PolarHBondContact O-OG 2.7Å; S743-C745 VanDerWaalsContact CB-SG 3.54Å; S743-C745 PolarHBondContact OG-SG 2.83Å
744I82.8Confident88.7Confident19 Ų1917.2 Ų17.210%0.0979%0.088CC..  trans-12660.4174.928.8169.5000109.4R13 L633 N737 G746 L747 M748R13-I744 VanDerWaalsContact CZ-CG2 3.46Å; R13-I744 VanDerWaalsContact NH1-CG2 3.27Å; L633-I744 HydrophobicContact CD1-CB 4.07Å; L633-I744 HydrophobicContact CD1-CD1 3.87Å; L633-I744 HydrophobicContact CD1-CG2 3.62Å; N737-I744 PolarHBondContact O-N 2.84Å; I744-G746 PolarHBondContact O-N 3.21Å; I744-L747 HydrophobicContact CB-CB 4.31Å; I744-L747 HydrophobicContact CG2-CD1 4.39Å; I744-L747 PolarHBondContact O-N 2.78Å; I744-L747 VanDerWaalsContact O-N 3.13Å; I744-M748 HydrophobicContact CB-CE 4.15Å; I744-M748 HydrophobicContact CD1-CE 3.07Å; I744-M748 HydrophobicContact CG1-CE 3.29Å
745C89.8Confident88.6Confident9 Ų917.5 Ų17.56%0.0619%0.089CC..THydrogen-bonded Turntrans-61.1120.8-174.2-54.10000112R380 W700 L738 S743 L747R380-C745 PolarHBondContact NH1-SG 3.41Å; R380-C745 PolarHBondContact NH2-SG 3.46Å; W700-C745 HydrophobicContact CD2-CB 3.98Å; W700-C745 VanDerWaalsContact CE2-CB 3.49Å; W700-C745 HydrophobicContact CG-CB 4.28Å; W700-C745 HydrophobicContact CZ2-CB 3.88Å; W700-C745 VanDerWaalsContact CZ2-SG 3.6Å; L738-C745 PolarHBondContact O-SG 2.82Å; S743-C745 VanDerWaalsContact CB-SG 3.54Å; S743-C745 PolarHBondContact OG-SG 2.83Å; C745-L747 VanDerWaalsContact C-N 3.29Å
746G92.1Very high88.7Confident0 Ų016.1 Ų16.10%08%0.084CC..THydrogen-bonded Turntrans82.15-179.800000114.1W397 D696 I744 Y749W397-G746 WeakPolarHBondContact CZ3-O 3.34Å; D696-G746 PolarHBondContact OD1-N 2.92Å; D696-G746 VanDerWaalsContact OD2-C 3.22Å; D696-G746 WeakPolarHBondContact OD2-CA 3.43Å; D696-G746 PolarHBondContact OD2-N 3.4Å; I744-G746 PolarHBondContact O-N 3.21Å; G746-Y749 WeakPolarHBondContact O-CD1 3.38Å
747L91.9Very high89Confident22 Ų2213.8 Ų13.812%0.1157%0.072CC..  trans-115.22.9-176.1-62.8175.3000113.4V396 L633 D696 I744 C745 Y749 Y750V396-L747 HydrophobicContact CG1-CD1 4.4Å; V396-L747 HydrophobicContact CG1-CD2 3.71Å; V396-L747 HydrophobicContact CG1-CG 4.05Å; L633-L747 HydrophobicContact CD1-CB 3.9Å; L633-L747 HydrophobicContact CD1-CD1 4.04Å; D696-L747 PolarHBondContact OD2-N 3.42Å; I744-L747 HydrophobicContact CB-CB 4.31Å; I744-L747 HydrophobicContact CG2-CD1 4.39Å; I744-L747 PolarHBondContact O-N 2.78Å; I744-L747 VanDerWaalsContact O-N 3.13Å; C745-L747 VanDerWaalsContact C-N 3.29Å; L747-Y749 HydrophobicContact CD2-CE1 3.9Å; L747-Y749 PolarHBondContact O-N 3.12Å; L747-Y749 VanDerWaalsContact O-N 3.09Å; L747-Y750 WeakPolarHBondContact O-CD1 3.36Å; L747-Y750 PolarHBondContact O-N 3.32Å
748M91.5Very high89.3Confident4 Ų411.8 Ų11.82%0.026%0.061CC..THydrogen-bonded Turntrans-59.2-21.7178.2-71-66.893.600114.2D696 L738 I744 Y750D696-M748 HydrophobicContact CB-CB 3.73Å; D696-M748 HydrophobicContact CB-CG 3.61Å; D696-M748 WeakPolarHBondContact OD2-CB 3.41Å; D696-M748 VanDerWaalsContact OD2-CG 3.27Å; D696-M748 WeakPolarHBondContact OD2-CG 3.41Å; D696-M748 PolarHBondContact OD2-N 2.82Å; L738-M748 HydrophobicContact CD2-CG 3.68Å; L738-M748 HydrophobicContact CD2-SD 4.25Å; I744-M748 HydrophobicContact CB-CE 4.15Å; I744-M748 HydrophobicContact CD1-CE 3.07Å; I744-M748 HydrophobicContact CG1-CE 3.29Å; M748-Y750 HydrophobicContact CE-CE1 4.28Å; M748-Y750 PolarHBondContact O-N 3.33Å; M748-Y750 VanDerWaalsContact O-N 3.09Å
749Y94Very high89.4Confident0 Ų013.3 Ų13.30%07%0.068CC..THydrogen-bonded Turntrans-60.9-17.4177.377.6-91.9000113.9W397 H403 P405 L411 D634 S693 G746 L747 Q751 I752 W753W397-Y749 HydrophobicContact CH2-CD1 4.07Å; W397-Y749 AromaticContact CH2-CE1 3.41Å; W397-Y749 HydrophobicContact CH2-CE1 3.41Å; W397-Y749 VanDerWaalsContact CH2-CE1 3.41Å; W397-Y749 AromaticContact CZ2-CE1 3.97Å; W397-Y749 HydrophobicContact CZ2-CE1 3.97Å; W397-Y749 HydrophobicContact CZ3-CE1 4.32Å; H403-Y749 VanDerWaalsContact CB-OH 3.25Å; H403-Y749 WeakPolarHBondContact CB-OH 3.46Å; P405-Y749 VanDerWaalsContact CD-OH 3.24Å; P405-Y749 WeakPolarHBondContact CD-OH 3.45Å; P405-Y749 HydrophobicContact CG-CD2 4.3Å; P405-Y749 HydrophobicContact CG-CE2 3.48Å; P405-Y749 VanDerWaalsContact CG-CE2 3.48Å; L411-Y749 HydrophobicContact CD1-CD2 3.91Å; L411-Y749 HydrophobicContact CD1-CE2 4.45Å; L411-Y749 HydrophobicContact CD1-CG 4.45Å; L411-Y749 HydrophobicContact CD2-CD1 3.71Å; L411-Y749 HydrophobicContact CD2-CD2 3.55Å; L411-Y749 HydrophobicContact CD2-CE1 4.17Å; L411-Y749 HydrophobicContact CD2-CE2 4.05Å; L411-Y749 HydrophobicContact CD2-CG 3.38Å; L411-Y749 HydrophobicContact CG-CD2 4.39Å; D634-Y749 PolarHBondContact OD2-OH 2.87Å; S693-Y749 WeakPolarHBondContact OG-CA 3.23Å; G746-Y749 WeakPolarHBondContact O-CD1 3.38Å; L747-Y749 HydrophobicContact CD2-CE1 3.9Å; L747-Y749 PolarHBondContact O-N 3.12Å; L747-Y749 VanDerWaalsContact O-N 3.09Å; Y749-Q751 PolarHBondContact O-N 3.11Å; Y749-I752 PolarHBondContact O-N 3.36Å; Y749-W753 HydrophobicContact CD2-CB 3.84Å; Y749-W753 HydrophobicContact CD2-CG 4.36Å; Y749-W753 HydrophobicContact CE2-CB 3.97Å; Y749-W753 HydrophobicContact CE2-CD2 4.3Å; Y749-W753 HydrophobicContact CE2-CG 4.07Å; Y749-W753 PolarHBondContact O-N 3.36Å
750Y91.1Very high89.5Confident15 Ų1513.3 Ų13.36%0.0597%0.068CC..Hα-helixtrans-52-31.5-178.583.4-80.8000112.9L633 D634 Y637 L747 M748 I752 W753 R754L633-Y750 HydrophobicContact CB-CD2 4.2Å; L633-Y750 HydrophobicContact CB-CG 3.96Å; D634-Y750 WeakPolarHBondContact OD1-CB 3.19Å; Y637-Y750 HydrophobicContact CD2-CD2 4.25Å; Y637-Y750 AromaticContact CD2-CE2 3.91Å; Y637-Y750 HydrophobicContact CD2-CE2 3.91Å; Y637-Y750 HydrophobicContact CE2-CD2 4.25Å; Y637-Y750 AromaticContact CE2-CE2 3.69Å; Y637-Y750 HydrophobicContact CE2-CE2 3.69Å; L747-Y750 WeakPolarHBondContact O-CD1 3.36Å; L747-Y750 PolarHBondContact O-N 3.32Å; M748-Y750 HydrophobicContact CE-CE1 4.28Å; M748-Y750 PolarHBondContact O-N 3.33Å; M748-Y750 VanDerWaalsContact O-N 3.09Å; Y750-I752 PolarHBondContact O-N 3.42Å; Y750-W753 PolarHBondContact O-N 2.85Å; Y750-R754 WeakPolarHBondContact O-CB 3.22Å; Y750-R754 PolarHBondContact O-N 3.48Å
751Q88.1Confident89.7Confident33 Ų3313.4 Ų13.415%0.1547%0.069CC..Hα-helixtrans-64.8-39.9179.2-68.1-179.3-17.400112.7Y749 K755Y749-Q751 PolarHBondContact O-N 3.11Å; Q751-K755 WeakPolarHBondContact O-CD 3.36Å; Q751-K755 WeakPolarHBondContact O-CG 3.43Å; Q751-K755 PolarHBondContact O-NZ 3.29Å
752I92.1Very high90.5Very high1 Ų112.9 Ų12.91%0.0057%0.065CC..Hα-helixtrans-76.4-45.5175.3-63.2-63.4000109.3V415 L416 L686 E689 L690 Y749 Y750 R754 K755 V756V415-I752 HydrophobicContact CG1-CG2 4.4Å; L416-I752 HydrophobicContact CD2-CB 4.19Å; L416-I752 HydrophobicContact CD2-CG2 3.9Å; L686-I752 HydrophobicContact CD2-CD1 3.87Å; E689-I752 HydrophobicContact CB-CD1 3.76Å; E689-I752 HydrophobicContact CB-CG1 4.23Å; L690-I752 HydrophobicContact CD2-CD1 4.06Å; L690-I752 HydrophobicContact CD2-CG1 3.92Å; L690-I752 HydrophobicContact CD2-CG2 4.22Å; L690-I752 HydrophobicContact CG-CD1 3.89Å; L690-I752 HydrophobicContact CG-CG1 4.2Å; Y749-I752 PolarHBondContact O-N 3.36Å; Y750-I752 PolarHBondContact O-N 3.42Å; I752-R754 VanDerWaalsContact C-N 3.31Å; I752-R754 PolarHBondContact O-N 2.97Å; I752-K755 WeakPolarHBondContact O-CB 3.43Å; I752-K755 PolarHBondContact O-N 3.17Å; I752-V756 PolarHBondContact O-N 3.09Å; I752-V756 VanDerWaalsContact O-N 3.15Å
753W93.3Very high91.4Very high26 Ų2613.4 Ų13.410%0.0987%0.065CC..Hα-helixtrans-58.2-42.6-179.1-165.9-96.9000112.8S404 P405 L411 V415 Y749 Y750 K755 V756 L757 L813S404-W753 PolarHBondContact OG-NE1 2.99Å; P405-W753 HydrophobicContact CB-CH2 3.79Å; P405-W753 HydrophobicContact CB-CZ2 4.3Å; P405-W753 HydrophobicContact CB-CZ3 3.97Å; P405-W753 HydrophobicContact CG-CD2 3.93Å; P405-W753 HydrophobicContact CG-CE3 3.74Å; P405-W753 HydrophobicContact CG-CH2 3.64Å; P405-W753 HydrophobicContact CG-CZ2 3.85Å; P405-W753 HydrophobicContact CG-CZ3 3.58Å; L411-W753 HydrophobicContact CD1-CE3 3.51Å; L411-W753 HydrophobicContact CD1-CZ3 3.62Å; V415-W753 HydrophobicContact CG2-CZ3 3.83Å; Y749-W753 HydrophobicContact CD2-CB 3.84Å; Y749-W753 HydrophobicContact CD2-CG 4.36Å; Y749-W753 HydrophobicContact CE2-CB 3.97Å; Y749-W753 HydrophobicContact CE2-CD2 4.3Å; Y749-W753 HydrophobicContact CE2-CG 4.07Å; Y749-W753 PolarHBondContact O-N 3.36Å; Y750-W753 PolarHBondContact O-N 2.85Å; W753-K755 VanDerWaalsContact C-N 3.25Å; W753-K755 PolarHBondContact O-N 3.05Å; W753-V756 WeakPolarHBondContact O-CB 3.42Å; W753-V756 PolarHBondContact O-N 3.49Å; W753-V756 VanDerWaalsContact O-N 3.14Å; W753-L757 WeakPolarHBondContact O-CB 3.28Å; W753-L757 PolarHBondContact O-N 3.33Å; W753-L813 HydrophobicContact CD2-CD2 4.45Å; W753-L813 HydrophobicContact CH2-CD2 4.25Å; W753-L813 HydrophobicContact CZ2-CD2 3.65Å
754R91.3Very high91.9Very high7 Ų712.5 Ų12.53%0.0266%0.059CC..Hα-helixtrans-60.4-33.9176.1-170.8178.274.4-165.45.5112.7L5 Y637 V638 D641 Y750 I752 L757 I758L5-R754 PolarHBondContact O-NH2 3.04Å; Y637-R754 VanDerWaalsContact CD2-NH1 3.28Å; V638-R754 HydrophobicContact CG2-CG 4.41Å; D641-R754 IonicContact OD1-CZ 3.99Å; D641-R754 IonicContact OD1-NE 2.83Å; D641-R754 IonicContact OD1-NH2 3.19Å; D641-R754 VanDerWaalsContact OD2-CD 3.24Å; D641-R754 WeakPolarHBondContact OD2-CD 3.39Å; D641-R754 IonicContact OD2-CZ 2.79Å; D641-R754 VanDerWaalsContact OD2-CZ 3.26Å; D641-R754 IonicContact OD2-NE 2.68Å; D641-R754 PolarHBondContact OD2-NE 3.02Å; D641-R754 IonicContact OD2-NH2 3.91Å; D641-R754 PolarHBondContact OD2-NH2 3.48Å; Y750-R754 WeakPolarHBondContact O-CB 3.22Å; Y750-R754 PolarHBondContact O-N 3.48Å; I752-R754 VanDerWaalsContact C-N 3.31Å; I752-R754 PolarHBondContact O-N 2.97Å; R754-L757 PolarHBondContact O-N 3.37Å; R754-I758 HydrophobicContact CG-CG1 4.42Å; R754-I758 WeakPolarHBondContact O-CB 3.45Å; R754-I758 VanDerWaalsContact O-CG1 3.28Å; R754-I758 WeakPolarHBondContact O-CG1 3.48Å; R754-I758 PolarHBondContact O-N 3.27Å
755K89.9Confident92.3Very high7 Ų711.7 Ų11.73%0.036%0.055CC..Hα-helixtrans-70.4-39.7176.4-66.6167.4175.282.80111.4L2 L686 E689 Q751 I752 W753 L757 E759 F818L2-K755 HydrophobicContact CD2-CD 3.43Å; L2-K755 VanDerWaalsContact CD2-CD 3.43Å; L2-K755 VanDerWaalsContact CD2-CE 3.45Å; L2-K755 HydrophobicContact CD2-CG 4.32Å; L2-K755 HydrophobicContact CG-CD 3.79Å; L2-K755 HydrophobicContact CG-CG 4.21Å; L686-K755 HydrophobicContact CD2-CD 3.73Å; E689-K755 IonicContact OE1-NZ 2.72Å; E689-K755 PolarHBondContact OE1-NZ 3.23Å; E689-K755 WeakPolarHBondContact OE2-CE 3.15Å; E689-K755 IonicContact OE2-NZ 3.17Å; E689-K755 PolarHBondContact OE2-NZ 2.84Å; Q751-K755 WeakPolarHBondContact O-CD 3.36Å; Q751-K755 WeakPolarHBondContact O-CG 3.43Å; Q751-K755 PolarHBondContact O-NZ 3.29Å; I752-K755 WeakPolarHBondContact O-CB 3.43Å; I752-K755 PolarHBondContact O-N 3.17Å; W753-K755 VanDerWaalsContact C-N 3.25Å; W753-K755 PolarHBondContact O-N 3.05Å; K755-L757 VanDerWaalsContact C-N 3.32Å; K755-E759 WeakPolarHBondContact O-CB 3.34Å; K755-E759 PolarHBondContact O-N 2.82Å; K755-F818 HydrophobicContact CB-CD2 4.33Å; K755-F818 HydrophobicContact CB-CE2 3.88Å; K755-F818 HydrophobicContact CB-CZ 4.36Å
756V94Very high92.2Very high0 Ų014.1 Ų14.10%07%0.069CC..Hα-helixtrans-60.7-45.7171.9-176.50000110.3V415 I752 W753 E759 D760 L813 P815 F818V415-V756 HydrophobicContact CG1-CG2 3.92Å; I752-V756 PolarHBondContact O-N 3.09Å; I752-V756 VanDerWaalsContact O-N 3.15Å; W753-V756 WeakPolarHBondContact O-CB 3.42Å; W753-V756 PolarHBondContact O-N 3.49Å; W753-V756 VanDerWaalsContact O-N 3.14Å; V756-E759 PolarHBondContact O-N 3.32Å; V756-D760 PolarHBondContact O-N 3.12Å; V756-L813 HydrophobicContact CB-CD2 4.35Å; V756-L813 HydrophobicContact CG1-CD1 4.25Å; V756-L813 HydrophobicContact CG1-CD2 3.79Å; V756-L813 HydrophobicContact CG1-CG 3.98Å; V756-P815 HydrophobicContact CG1-CB 4.07Å; V756-F818 HydrophobicContact CB-CB 4.39Å; V756-F818 HydrophobicContact CG1-CB 4.36Å; V756-F818 HydrophobicContact CG2-CB 4.02Å; V756-F818 HydrophobicContact CG2-CD1 3.81Å; V756-F818 HydrophobicContact CG2-CE1 4.48Å; V756-F818 HydrophobicContact CG2-CG 3.95Å
757L93.7Very high92.2Very high3 Ų319.3 Ų19.32%0.0169%0.094CC..Hα-helixtrans-61.6-50.4179.6-167.960.9000112.4T635 V638 W753 R754 K755 E759 D760 I761 F805 L813T635-L757 HydrophobicContact CG2-CD2 4.31Å; V638-L757 HydrophobicContact CG2-CD2 3.37Å; V638-L757 HydrophobicContact CG2-CG 4.19Å; W753-L757 WeakPolarHBondContact O-CB 3.28Å; W753-L757 PolarHBondContact O-N 3.33Å; R754-L757 PolarHBondContact O-N 3.37Å; K755-L757 VanDerWaalsContact C-N 3.32Å; L757-E759 VanDerWaalsContact C-N 3.3Å; L757-E759 PolarHBondContact O-N 3.3Å; L757-D760 PolarHBondContact O-N 3.49Å; L757-I761 HydrophobicContact CG-CD1 4.06Å; L757-I761 WeakPolarHBondContact O-CD1 3.35Å; L757-I761 VanDerWaalsContact O-CG1 3.29Å; L757-I761 WeakPolarHBondContact O-CG1 3.39Å; L757-I761 PolarHBondContact O-N 2.6Å; L757-F805 HydrophobicContact CD1-CB 4.45Å; L757-F805 HydrophobicContact CD1-CD2 3.22Å; L757-F805 HydrophobicContact CD1-CE2 3.63Å; L757-F805 HydrophobicContact CD1-CG 4.01Å; L757-L813 HydrophobicContact CD1-CD1 3.96Å; L757-L813 HydrophobicContact CD1-CD2 4.28Å
758I92.2Very high92.1Very high7 Ų720.1 Ų20.14%0.03610%0.1CC..Hα-helixtrans-62.4-38177.8-73-70.8000111.5V638 D641 L642 R754 D760 I761 L762V638-I758 HydrophobicContact CB-CD1 4.44Å; V638-I758 HydrophobicContact CG1-CD1 3.82Å; V638-I758 WeakPolarHBondContact O-CD1 3.02Å; D641-I758 HydrophobicContact CB-CD1 3.67Å; D641-I758 HydrophobicContact CB-CG1 3.88Å; L642-I758 HydrophobicContact CB-CD1 4.28Å; R754-I758 HydrophobicContact CG-CG1 4.42Å; R754-I758 WeakPolarHBondContact O-CB 3.45Å; R754-I758 VanDerWaalsContact O-CG1 3.28Å; R754-I758 WeakPolarHBondContact O-CG1 3.48Å; R754-I758 PolarHBondContact O-N 3.27Å; I758-D760 PolarHBondContact O-N 3.4Å; I758-I761 HydrophobicContact CD1-CD1 4.49Å; I758-I761 PolarHBondContact O-N 2.69Å; I758-L762 HydrophobicContact CG2-CD1 3.75Å; I758-L762 HydrophobicContact CG2-CG 4.17Å; I758-L762 WeakPolarHBondContact O-CB 3.11Å; I758-L762 VanDerWaalsContact O-CG 3.28Å; I758-L762 WeakPolarHBondContact O-CG 3.23Å; I758-L762 PolarHBondContact O-N 2.64Å
759E92.9Very high91.7Very high33 Ų3320.6 Ų20.615%0.15411%0.105CC..Hα-helixtrans-62.9-43.6178.2-168.559.5-153.400111.9K755 V756 L757 L762 H763 L817 F818 K821K755-E759 WeakPolarHBondContact O-CB 3.34Å; K755-E759 PolarHBondContact O-N 2.82Å; V756-E759 PolarHBondContact O-N 3.32Å; L757-E759 VanDerWaalsContact C-N 3.3Å; L757-E759 PolarHBondContact O-N 3.3Å; E759-L762 PolarHBondContact O-N 3.42Å; E759-H763 WeakPolarHBondContact O-CB 3.28Å; E759-H763 PolarHBondContact O-N 2.93Å; E759-L817 HydrophobicContact CG-CB 4.19Å; E759-F818 HydrophobicContact CB-CB 4.46Å; E759-K821 HydrophobicContact CG-CD 4.29Å; E759-K821 IonicContact OE1-NZ 3.41Å; E759-K821 WeakPolarHBondContact OE2-CD 3.13Å; E759-K821 WeakPolarHBondContact OE2-CE 3.49Å; E759-K821 IonicContact OE2-NZ 2.65Å; E759-K821 PolarHBondContact OE2-NZ 3.2Å
760D95.6Very high90.9Very high0 Ų020.9 Ų20.90%011%0.106CC..Hα-helixtrans-69.1-36.2177.6-156-23.7000112.1V756 L757 I758 H763 S764 F805 R809 R811 L813 N814 L817V756-D760 PolarHBondContact O-N 3.12Å; L757-D760 PolarHBondContact O-N 3.49Å; I758-D760 PolarHBondContact O-N 3.4Å; D760-H763 WeakPolarHBondContact O-CB 3.42Å; D760-H763 PolarHBondContact O-N 3.42Å; D760-S764 PolarHBondContact O-N 3.37Å; D760-F805 HydrophobicContact CB-CE2 4.24Å; D760-F805 HydrophobicContact CB-CZ 3.93Å; D760-F805 WeakPolarHBondContact OD2-CZ 3.47Å; D760-R809 IonicContact OD1-CZ 3.4Å; D760-R809 IonicContact OD1-NE 2.91Å; D760-R809 PolarHBondContact OD1-NE 3.48Å; D760-R809 IonicContact OD1-NH2 2.72Å; D760-R811 IonicContact OD1-CZ 3.54Å; D760-R811 IonicContact OD1-NH1 3.12Å; D760-R811 IonicContact OD1-NH2 3.91Å; D760-R811 PolarHBondContact OD1-NH2 3.23Å; D760-R811 IonicContact OD2-CZ 2.62Å; D760-R811 IonicContact OD2-NH1 3.35Å; D760-R811 PolarHBondContact OD2-NH1 3.43Å; D760-R811 IonicContact OD2-NH2 3.29Å; D760-R811 PolarHBondContact OD2-NH2 2.94Å; D760-L813 HydrophobicContact CB-CD1 3.65Å; D760-N814 PolarHBondContact OD2-N 3.47Å; D760-L817 HydrophobicContact CB-CD1 3.95Å; D760-L817 VanDerWaalsContact CG-CD1 3.49Å; D760-L817 WeakPolarHBondContact OD1-CD1 3.41Å
761I94.3Very high89.5Confident2 Ų223.9 Ų23.91%0.0112%0.123CC..Hα-helixtrans-61.7-48.6172.7-67.9161.3000110.7V638 L642 L757 I758 H763 S764 L765 F788 F805 F808V638-I761 HydrophobicContact CG1-CD1 3.43Å; V638-I761 VanDerWaalsContact CG1-CD1 3.43Å; L642-I761 HydrophobicContact CD1-CG2 4.21Å; L642-I761 HydrophobicContact CD2-CG2 4.29Å; L757-I761 HydrophobicContact CG-CD1 4.06Å; L757-I761 WeakPolarHBondContact O-CD1 3.35Å; L757-I761 VanDerWaalsContact O-CG1 3.29Å; L757-I761 WeakPolarHBondContact O-CG1 3.39Å; L757-I761 PolarHBondContact O-N 2.6Å; I758-I761 HydrophobicContact CD1-CD1 4.49Å; I758-I761 PolarHBondContact O-N 2.69Å; I761-H763 VanDerWaalsContact C-N 3.28Å; I761-H763 PolarHBondContact O-N 3.4Å; I761-S764 WeakPolarHBondContact O-CB 3.09Å; I761-S764 PolarHBondContact O-N 3.15Å; I761-S764 PolarHBondContact O-OG 3.29Å; I761-L765 PolarHBondContact O-N 3.42Å; I761-F788 HydrophobicContact CD1-CE2 4.03Å; I761-F788 HydrophobicContact CG2-CD2 4.29Å; I761-F788 HydrophobicContact CG2-CE2 4.29Å; I761-F805 HydrophobicContact CG1-CE2 4.42Å; I761-F808 HydrophobicContact CB-CE1 4.21Å; I761-F808 HydrophobicContact CG1-CD1 4.22Å; I761-F808 HydrophobicContact CG1-CE1 3.7Å; I761-F808 HydrophobicContact CG1-CZ 4.47Å; I761-F808 HydrophobicContact CG2-CE1 4.2Å; I761-F808 HydrophobicContact CG2-CZ 4.17Å
762L92.1Very high88.2Confident10 Ų1027.5 Ų27.55%0.05215%0.147CC..Hα-helixtrans-65-33.3177-69.5173.5000112.1M1 L642 N645 I758 E759 S764 L765 T766M1-L762 HydrophobicContact CE-CD1 3.87Å; M1-L762 HydrophobicContact SD-CD1 4.26Å; L642-L762 HydrophobicContact CD1-CD2 3.96Å; N645-L762 HydrophobicContact CB-CD1 4.46Å; N645-L762 HydrophobicContact CB-CD2 4.24Å; I758-L762 HydrophobicContact CG2-CD1 3.75Å; I758-L762 HydrophobicContact CG2-CG 4.17Å; I758-L762 WeakPolarHBondContact O-CB 3.11Å; I758-L762 VanDerWaalsContact O-CG 3.28Å; I758-L762 WeakPolarHBondContact O-CG 3.23Å; I758-L762 PolarHBondContact O-N 2.64Å; E759-L762 PolarHBondContact O-N 3.42Å; L762-S764 VanDerWaalsContact C-N 3.33Å; L762-S764 PolarHBondContact O-N 2.92Å; L762-L765 HydrophobicContact CD2-CD1 4.41Å; L762-L765 PolarHBondContact O-N 2.68Å; L762-T766 PolarHBondContact O-N 2.79Å; L762-T766 PolarHBondContact O-OG1 3.22Å
763H93.2Very high86.3Confident63 Ų6329.8 Ų29.829%0.29216%0.163SC..Hα-helixtrans-62.2-41.4173.8-16866.5000111.5E759 D760 I761 L765 T766 E767 L817E759-H763 WeakPolarHBondContact O-CB 3.28Å; E759-H763 PolarHBondContact O-N 2.93Å; D760-H763 WeakPolarHBondContact O-CB 3.42Å; D760-H763 PolarHBondContact O-N 3.42Å; I761-H763 VanDerWaalsContact C-N 3.28Å; I761-H763 PolarHBondContact O-N 3.4Å; H763-L765 PolarHBondContact O-N 3.36Å; H763-T766 WeakPolarHBondContact O-CA 3.32Å; H763-T766 WeakPolarHBondContact O-CB 3.35Å; H763-T766 PolarHBondContact O-N 3.21Å; H763-E767 IonicContact CD2-OE1 2.65Å; H763-E767 PolarHBondContact CD2-OE1 2.9Å; H763-E767 IonicContact NE2-OE1 3.76Å; H763-E767 WeakPolarHBondContact O-CG 3.32Å; H763-E767 PolarHBondContact O-N 2.54Å; H763-L817 HydrophobicContact CB-CD1 3.86Å
764S94Very high84.5Confident1 Ų136.3 Ų36.31%0.00720%0.2CC..Hα-helixtrans-60-31.8175.779.70000113.5D760 I761 L762 F808D760-S764 PolarHBondContact O-N 3.37Å; I761-S764 WeakPolarHBondContact O-CB 3.09Å; I761-S764 PolarHBondContact O-N 3.15Å; I761-S764 PolarHBondContact O-OG 3.29Å; L762-S764 VanDerWaalsContact C-N 3.33Å; L762-S764 PolarHBondContact O-N 2.92Å; S764-F808 WeakPolarHBondContact OG-CZ 3.2Å
765L91.1Very high82.6Confident3 Ų343.5 Ų43.52%0.01623%0.231CC..Hα-helixtrans-76.8-33.3174.6-68.3162.2000111.9L642 I761 L762 H763 V768 G769 W770 V784 F785L642-L765 HydrophobicContact CD1-CD1 4.32Å; I761-L765 PolarHBondContact O-N 3.42Å; L762-L765 HydrophobicContact CD2-CD1 4.41Å; L762-L765 PolarHBondContact O-N 2.68Å; H763-L765 PolarHBondContact O-N 3.36Å; L765-V768 VanDerWaalsContact O-CG2 3.23Å; L765-V768 WeakPolarHBondContact O-CG2 3.41Å; L765-V768 PolarHBondContact O-N 3.45Å; L765-G769 PolarHBondContact O-N 2.83Å; L765-W770 HydrophobicContact CB-CB 4.06Å; L765-W770 HydrophobicContact CB-CD2 4.33Å; L765-W770 HydrophobicContact CB-CE3 3.7Å; L765-W770 HydrophobicContact CD1-CD2 4.44Å; L765-W770 HydrophobicContact CD1-CE3 3.56Å; L765-W770 HydrophobicContact CD1-CZ3 3.61Å; L765-W770 HydrophobicContact CD2-CD2 4.31Å; L765-W770 HydrophobicContact CD2-CE3 4.18Å; L765-W770 HydrophobicContact CG-CE3 4.01Å; L765-W770 WeakPolarHBondContact O-CB 3.43Å; L765-W770 PolarHBondContact O-N 3.32Å; L765-V784 HydrophobicContact CD2-CB 3.96Å; L765-V784 HydrophobicContact CD2-CG1 3.54Å; L765-V784 HydrophobicContact CG-CG1 4Å; L765-F785 HydrophobicContact CD1-CE1 3.99Å; L765-F785 HydrophobicContact CD1-CZ 3.8Å; L765-F785 HydrophobicContact CD2-CD2 4.12Å; L765-F785 HydrophobicContact CD2-CE1 4.03Å; L765-F785 HydrophobicContact CD2-CE2 3.61Å; L765-F785 HydrophobicContact CD2-CZ 3.54Å; L765-F785 HydrophobicContact CG-CZ 4.35Å
766T89.1Confident81.1Confident60 Ų6044.2 Ų44.237%0.36824%0.236SC..Hα-helixtrans-68.9-38.9175.9-54.90000111.3L762 H763 V768 G769L762-T766 PolarHBondContact O-N 2.79Å; L762-T766 PolarHBondContact O-OG1 3.22Å; H763-T766 WeakPolarHBondContact O-CA 3.32Å; H763-T766 WeakPolarHBondContact O-CB 3.35Å; H763-T766 PolarHBondContact O-N 3.21Å; T766-V768 PolarHBondContact O-N 2.97Å; T766-G769 PolarHBondContact O-N 2.89Å
767E91.3Very high79.6Confident109 Ų10951.1 Ų51.151%0.50927%0.274SS..Hα-helixtrans-55.8-32.4174.7-74.5172.9167.800112.6H763 R809H763-E767 IonicContact CD2-OE1 2.65Å; H763-E767 PolarHBondContact CD2-OE1 2.9Å; H763-E767 IonicContact NE2-OE1 3.76Å; H763-E767 WeakPolarHBondContact O-CG 3.32Å; H763-E767 PolarHBondContact O-N 2.54Å; E767-R809 IonicContact OE1-CZ 3.23Å; E767-R809 IonicContact OE1-NH1 3.42Å; E767-R809 IonicContact OE1-NH2 2.64Å; E767-R809 PolarHBondContact OE1-NH2 3.21Å; E767-R809 IonicContact OE2-CZ 2.67Å; E767-R809 IonicContact OE2-NH1 3.95Å; E767-R809 PolarHBondContact OE2-NH1 3.49Å; E767-R809 IonicContact OE2-NH2 2.61Å; E767-R809 PolarHBondContact OE2-NH2 2.73Å
768V90.1Very high78.9Confident39 Ų3952.8 Ų52.824%0.23629%0.285CS..THydrogen-bonded Turntrans-99.63.9178.9-60.50000113.9L765 T766 K780 V781 V784L765-V768 VanDerWaalsContact O-CG2 3.23Å; L765-V768 WeakPolarHBondContact O-CG2 3.41Å; L765-V768 PolarHBondContact O-N 3.45Å; T766-V768 PolarHBondContact O-N 2.97Å; V768-K780 HydrophobicContact CB-CB 3.9Å; V768-K780 HydrophobicContact CG1-CB 4.01Å; V768-V781 HydrophobicContact CB-CG2 4.47Å; V768-V781 HydrophobicContact CG2-CB 4.47Å; V768-V781 HydrophobicContact CG2-CG2 3.8Å; V768-V784 HydrophobicContact CG1-CG2 4.08Å; V768-V784 HydrophobicContact CG2-CG2 3.93Å
769G82.8Confident78.7Confident13 Ų1359.8 Ų59.813%0.13432%0.318CS..THydrogen-bonded Turntrans88.817.5169.100000117.2L765 T766 L771 T772 S773L765-G769 PolarHBondContact O-N 2.83Å; T766-G769 PolarHBondContact O-N 2.89Å; G769-L771 VanDerWaalsContact C-N 3.27Å; G769-L771 PolarHBondContact O-N 3.16Å; G769-T772 WeakPolarHBondContact CA-OG1 3.49Å; G769-T772 PolarHBondContact O-N 2.65Å; G769-T772 PolarHBondContact O-OG1 2.96Å; G769-S773 PolarHBondContact O-N 3.06Å; G769-S773 PolarHBondContact O-OG 3.34Å; G769-S773 VanDerWaalsContact O-OG 3.07Å
770W76.2Confident78.6Confident7 Ų764.5 Ų64.53%0.02734%0.338CS..THydrogen-bonded Turntrans-61.2-28.3-172.7-173.141.3000115.1I646 A651 L765 V781 F785I646-W770 HydrophobicContact CB-CH2 3.97Å; I646-W770 HydrophobicContact CB-CZ2 4.47Å; I646-W770 HydrophobicContact CD1-CH2 3.61Å; I646-W770 HydrophobicContact CD1-CZ2 3.96Å; I646-W770 HydrophobicContact CG1-CH2 3.58Å; I646-W770 HydrophobicContact CG1-CZ2 4.29Å; I646-W770 HydrophobicContact CG2-CH2 3.96Å; I646-W770 HydrophobicContact CG2-CZ2 3.95Å; A651-W770 HydrophobicContact CB-CH2 3.8Å; A651-W770 HydrophobicContact CB-CZ2 3.33Å; L765-W770 HydrophobicContact CB-CB 4.06Å; L765-W770 HydrophobicContact CB-CD2 4.33Å; L765-W770 HydrophobicContact CB-CE3 3.7Å; L765-W770 HydrophobicContact CD1-CD2 4.44Å; L765-W770 HydrophobicContact CD1-CE3 3.56Å; L765-W770 HydrophobicContact CD1-CZ3 3.61Å; L765-W770 HydrophobicContact CD2-CD2 4.31Å; L765-W770 HydrophobicContact CD2-CE3 4.18Å; L765-W770 HydrophobicContact CG-CE3 4.01Å; L765-W770 WeakPolarHBondContact O-CB 3.43Å; L765-W770 PolarHBondContact O-N 3.32Å; W770-V781 HydrophobicContact CB-CG1 4.09Å; W770-V781 HydrophobicContact CB-CG2 3.81Å; W770-V781 HydrophobicContact CG-CG1 3.72Å; W770-V781 HydrophobicContact CG-CG2 4.29Å; W770-F785 HydrophobicContact CD2-CE2 4.07Å; W770-F785 AromaticContact CD2-CZ 3.99Å; W770-F785 HydrophobicContact CD2-CZ 3.99Å; W770-F785 AromaticContact CE2-CE2 3.66Å; W770-F785 AromaticContact CE2-CZ 3.63Å; W770-F785 HydrophobicContact CE3-CZ 4.13Å; W770-F785 HydrophobicContact CG-CE2 4.49Å; W770-F785 HydrophobicContact CH2-CE2 4.48Å; W770-F785 AromaticContact CH2-CZ 3.64Å; W770-F785 HydrophobicContact CH2-CZ 3.64Å; W770-F785 AromaticContact CZ2-CE2 3.88Å; W770-F785 HydrophobicContact CZ2-CE2 3.88Å; W770-F785 AromaticContact CZ2-CZ 3.44Å; W770-F785 HydrophobicContact CZ2-CZ 3.44Å; W770-F785 VanDerWaalsContact CZ2-CZ 3.44Å; W770-F785 AromaticContact CZ3-CZ 3.97Å; W770-F785 HydrophobicContact CZ3-CZ 3.97Å; W770-F785 AromaticContact NE1-CE2 3.87Å
771L63.4Low78.3Confident78 Ų7864.7 Ų64.741%0.40834%0.339SS..THydrogen-bonded Turntrans-117.3-2.7-177.6-67.2172.3000113.8N649 G769N649-L771 HydrophobicContact CB-CD2 4.05Å; G769-L771 VanDerWaalsContact C-N 3.27Å; G769-L771 PolarHBondContact O-N 3.16Å
772T59.9Low78.2Confident109 Ų10967 Ų6767%0.66936%0.356SS*.THydrogen-bonded Turntrans-102.3-8.1-178.153.90000112.7G769G769-T772 WeakPolarHBondContact CA-OG1 3.49Å; G769-T772 PolarHBondContact O-N 2.65Å; G769-T772 PolarHBondContact O-OG1 2.96Å
773S53.1Low78.3Confident48 Ų4871.6 Ų71.634%0.33638%0.376SS..SBendtrans-134.7148.6-179.2690000111.2G769 K775G769-S773 PolarHBondContact O-N 3.06Å; G769-S773 PolarHBondContact O-OG 3.34Å; G769-S773 VanDerWaalsContact O-OG 3.07Å; S773-K775 PolarHBondContact O-N 2.73Å
774D54.1Low78.3Confident164 Ų16468.8 Ų68.888%0.87736%0.364SS*.SBendtrans-61.8-6.3170-69.6-35.7000112.6T776D774-T776 PolarHBondContact O-N 3.44Å; D774-T776 VanDerWaalsContact O-N 3.14Å
775K52.7Low78.4Confident157 Ų15769 Ų6968%0.68337%0.365SS*.  trans-85.671.1178.2-56.7-176.2179.7-176.30110.7S773 D777S773-K775 PolarHBondContact O-N 2.73Å; K775-D777 PolarHBondContact O-N 2.94Å; K775-D777 VanDerWaalsContact O-N 3.15Å
776T56.8Low78.5Confident22 Ų2273 Ų7314%0.13538%0.382CS..THydrogen-bonded Turntrans-61.2-17.3169.245.60000113.1K656 D774K656-T776 VanDerWaalsContact CE-CG2 3.49Å; K656-T776 PolarHBondContact NZ-OG1 2.95Å; D774-T776 PolarHBondContact O-N 3.44Å; D774-T776 VanDerWaalsContact O-N 3.14Å
777D62.6Low78.8Confident146 Ų14674.4 Ų74.478%0.78138%0.38SS*.THydrogen-bonded Turntrans-103.731-170.3-51.3-14.2000112K775K775-D777 PolarHBondContact O-N 2.94Å; K775-D777 VanDerWaalsContact O-N 3.15Å
778S79.8Confident79Confident37 Ų3769.2 Ų69.226%0.25936%0.356SS..  trans-69.2132.2173.9173.20000110.5K780 V781 S782S778-K780 PolarHBondContact O-N 3.45Å; S778-K780 PolarHBondContact OG-N 2.77Å; S778-V781 WeakPolarHBondContact O-CB 3.25Å; S778-V781 PolarHBondContact O-N 2.86Å; S778-S782 PolarHBondContact O-N 2.79Å
779E88.2Confident79.2Confident154 Ų15467.9 Ų67.972%0.7235%0.347SS*.Hα-helixtrans-51.9-40.1174.4-174.3174.3-160.400111.7V781 S782 E783E779-V781 VanDerWaalsContact C-N 3.33Å; E779-V781 PolarHBondContact O-N 3.08Å; E779-S782 VanDerWaalsContact O-CB 3.31Å; E779-S782 WeakPolarHBondContact O-CB 3.22Å; E779-S782 PolarHBondContact O-N 3.45Å; E779-E783 WeakPolarHBondContact O-CG 3.24Å; E779-E783 PolarHBondContact O-N 2.69Å
780K90.6Very high79.7Confident133 Ų13370.6 Ų70.658%0.57836%0.359SS*.Hα-helixtrans-64-35.2177.4-62-175.8178.5-177.40113.3V768 S778 V784V768-K780 HydrophobicContact CB-CB 3.9Å; V768-K780 HydrophobicContact CG1-CB 4.01Å; S778-K780 PolarHBondContact O-N 3.45Å; S778-K780 PolarHBondContact OG-N 2.77Å; K780-V784 WeakPolarHBondContact O-CG2 3.49Å; K780-V784 PolarHBondContact O-N 3.49Å
781V90.2Very high80.5Confident4 Ų470.7 Ų70.72%0.02436%0.36CS..Hα-helixtrans-68.2-45.8175.1171.50000109.4V768 W770 S778 E779 E783 V784 F785V768-V781 HydrophobicContact CB-CG2 4.47Å; V768-V781 HydrophobicContact CG2-CB 4.47Å; V768-V781 HydrophobicContact CG2-CG2 3.8Å; W770-V781 HydrophobicContact CB-CG1 4.09Å; W770-V781 HydrophobicContact CB-CG2 3.81Å; W770-V781 HydrophobicContact CG-CG1 3.72Å; W770-V781 HydrophobicContact CG-CG2 4.29Å; S778-V781 WeakPolarHBondContact O-CB 3.25Å; S778-V781 PolarHBondContact O-N 2.86Å; E779-V781 VanDerWaalsContact C-N 3.33Å; E779-V781 PolarHBondContact O-N 3.08Å; V781-E783 VanDerWaalsContact C-N 3.28Å; V781-E783 PolarHBondContact O-N 3.26Å; V781-V784 PolarHBondContact O-N 3.31Å; V781-V784 VanDerWaalsContact O-N 3.11Å; V781-F785 HydrophobicContact CG1-CD2 3.83Å; V781-F785 HydrophobicContact CG1-CE2 3.61Å; V781-F785 WeakPolarHBondContact O-CD2 3.36Å; V781-F785 PolarHBondContact O-N 2.85Å; V781-F785 VanDerWaalsContact O-N 3.12Å
782S91.1Very high81.7Confident51 Ų5167.3 Ų67.336%0.35734%0.342SS..Hα-helixtrans-57-41.7176.8-171.20000111.8H497 S778 E779 F785 K786H497-S782 PolarHBondContact CE1-OG 3.14Å; H497-S782 PolarHBondContact NE2-O 2.5Å; H497-S782 PolarHBondContact NE2-OG 2.89Å; S778-S782 PolarHBondContact O-N 2.79Å; E779-S782 VanDerWaalsContact O-CB 3.31Å; E779-S782 WeakPolarHBondContact O-CB 3.22Å; E779-S782 PolarHBondContact O-N 3.45Å; S782-F785 PolarHBondContact O-N 3.48Å; S782-K786 WeakPolarHBondContact O-CB 3.49Å; S782-K786 PolarHBondContact O-N 3.38Å
783E93.6Very high83.2Confident105 Ų10562.2 Ų62.249%0.49131%0.31SS..Hα-helixtrans-62.7-39.1174.8-74177.2173.300113.4E779 V781 K786 R787E779-E783 WeakPolarHBondContact O-CG 3.24Å; E779-E783 PolarHBondContact O-N 2.69Å; V781-E783 VanDerWaalsContact C-N 3.28Å; V781-E783 PolarHBondContact O-N 3.26Å; E783-K786 PolarHBondContact O-N 3.33Å; E783-R787 WeakPolarHBondContact O-CB 3.35Å; E783-R787 PolarHBondContact O-N 2.81Å
784V94.8Very high84.9Confident5 Ų561 Ų613%0.0330%0.301CS..Hα-helixtrans-65.3-44.7177.1175.20000110.6L765 V768 K780 V781 R787 F788 F808L765-V784 HydrophobicContact CD2-CB 3.96Å; L765-V784 HydrophobicContact CD2-CG1 3.54Å; L765-V784 HydrophobicContact CG-CG1 4Å; V768-V784 HydrophobicContact CG1-CG2 4.08Å; V768-V784 HydrophobicContact CG2-CG2 3.93Å; K780-V784 WeakPolarHBondContact O-CG2 3.49Å; K780-V784 PolarHBondContact O-N 3.49Å; V781-V784 PolarHBondContact O-N 3.31Å; V781-V784 VanDerWaalsContact O-N 3.11Å; V784-R787 PolarHBondContact O-N 3.39Å; V784-F788 PolarHBondContact O-N 3.23Å; V784-F808 HydrophobicContact CG1-CE2 4.21Å; V784-F808 HydrophobicContact CG1-CZ 4.15Å
785F94.2Very high86.4Confident5 Ų555.7 Ų55.72%0.02227%0.269CS..Hα-helixtrans-67.2-38.1176.6-75.9-63.1000112.9V495 F496 I646 L765 W770 V781 S782 R787 F788 R789V495-F785 HydrophobicContact CG1-CB 4.49Å; V495-F785 HydrophobicContact CG1-CD1 3.73Å; V495-F785 HydrophobicContact CG1-CD2 3.55Å; V495-F785 HydrophobicContact CG1-CE1 3.73Å; V495-F785 HydrophobicContact CG1-CE2 3.53Å; V495-F785 HydrophobicContact CG1-CG 3.66Å; V495-F785 HydrophobicContact CG1-CZ 3.63Å; V495-F785 WeakPolarHBondContact O-CB 3.46Å; F496-F785 HydrophobicContact CD1-CD1 4Å; F496-F785 AromaticContact CE1-CD1 3.72Å; F496-F785 HydrophobicContact CE1-CD1 3.72Å; F496-F785 HydrophobicContact CE1-CE1 4.08Å; F496-F785 HydrophobicContact CZ-CD1 4.38Å; F496-F785 HydrophobicContact CZ-CE1 4.36Å; I646-F785 HydrophobicContact CD1-CE1 3.69Å; I646-F785 HydrophobicContact CD1-CZ 3.87Å; L765-F785 HydrophobicContact CD1-CE1 3.99Å; L765-F785 HydrophobicContact CD1-CZ 3.8Å; L765-F785 HydrophobicContact CD2-CD2 4.12Å; L765-F785 HydrophobicContact CD2-CE1 4.03Å; L765-F785 HydrophobicContact CD2-CE2 3.61Å; L765-F785 HydrophobicContact CD2-CZ 3.54Å; L765-F785 HydrophobicContact CG-CZ 4.35Å; W770-F785 HydrophobicContact CD2-CE2 4.07Å; W770-F785 AromaticContact CD2-CZ 3.99Å; W770-F785 HydrophobicContact CD2-CZ 3.99Å; W770-F785 AromaticContact CE2-CE2 3.66Å; W770-F785 AromaticContact CE2-CZ 3.63Å; W770-F785 HydrophobicContact CE3-CZ 4.13Å; W770-F785 HydrophobicContact CG-CE2 4.49Å; W770-F785 HydrophobicContact CH2-CE2 4.48Å; W770-F785 AromaticContact CH2-CZ 3.64Å; W770-F785 HydrophobicContact CH2-CZ 3.64Å; W770-F785 AromaticContact CZ2-CE2 3.88Å; W770-F785 HydrophobicContact CZ2-CE2 3.88Å; W770-F785 AromaticContact CZ2-CZ 3.44Å; W770-F785 HydrophobicContact CZ2-CZ 3.44Å; W770-F785 VanDerWaalsContact CZ2-CZ 3.44Å; W770-F785 AromaticContact CZ3-CZ 3.97Å; W770-F785 HydrophobicContact CZ3-CZ 3.97Å; W770-F785 AromaticContact NE1-CE2 3.87Å; V781-F785 HydrophobicContact CG1-CD2 3.83Å; V781-F785 HydrophobicContact CG1-CE2 3.61Å; V781-F785 WeakPolarHBondContact O-CD2 3.36Å; V781-F785 PolarHBondContact O-N 2.85Å; V781-F785 VanDerWaalsContact O-N 3.12Å; S782-F785 PolarHBondContact O-N 3.48Å; F785-R787 VanDerWaalsContact C-N 3.34Å; F785-F788 WeakPolarHBondContact O-CB 3.05Å; F785-F788 PolarHBondContact O-N 3.31Å; F785-R789 WeakPolarHBondContact O-CB 3.43Å; F785-R789 PolarHBondContact O-N 3.11Å
786K94.4Very high87.6Confident86 Ų8648.6 Ų48.637%0.37424%0.24SC..Hα-helixtrans-59.3-46.1171.8-174174.5178.3178.60110.9S782 E783 F788 R789 D790S782-K786 WeakPolarHBondContact O-CB 3.49Å; S782-K786 PolarHBondContact O-N 3.38Å; E783-K786 PolarHBondContact O-N 3.33Å; K786-F788 VanDerWaalsContact C-N 3.34Å; K786-F788 PolarHBondContact O-N 3.26Å; K786-R789 WeakPolarHBondContact O-CB 3.48Å; K786-R789 PolarHBondContact O-N 3.4Å; K786-D790 WeakPolarHBondContact O-CB 3.46Å; K786-D790 PolarHBondContact O-N 3.43Å
787R95.6Very high88.7Confident90 Ų9047.8 Ų47.834%0.3424%0.236SC..Hα-helixtrans-63.9-37.8176-171.2168.262.1-111.3-0.1112.4E783 V784 F785 T791 F808E783-R787 WeakPolarHBondContact O-CB 3.35Å; E783-R787 PolarHBondContact O-N 2.81Å; V784-R787 PolarHBondContact O-N 3.39Å; F785-R787 VanDerWaalsContact C-N 3.34Å; R787-T791 WeakPolarHBondContact O-CB 3.25Å; R787-T791 WeakPolarHBondContact O-CG2 3.11Å; R787-T791 PolarHBondContact O-N 3.21Å; R787-T791 VanDerWaalsContact O-N 3.13Å; R787-T791 PolarHBondContact O-OG1 3.13Å; R787-F808 WeakPolarHBondContact CD-O 3.4Å; R787-F808 HydrophobicContact CG-CD2 4.22Å; R787-F808 PolarHBondContact NE-O 2.94Å
788F95.1Very high89.8Confident1 Ų140.9 Ų40.90%0.00420%0.199CC..Hα-helixtrans-62.2-44.7173.5-174.9-89.7000111.5F496 V638 M639 L642 I761 V784 F785 K786 T791 Y792 L793 F808F496-F788 HydrophobicContact CD1-CD1 4.12Å; F496-F788 AromaticContact CE1-CD1 3.85Å; F496-F788 HydrophobicContact CE1-CD1 3.85Å; F496-F788 HydrophobicContact CE1-CE1 4.16Å; V638-F788 HydrophobicContact CG1-CE2 3.99Å; V638-F788 HydrophobicContact CG1-CZ 3.94Å; M639-F788 HydrophobicContact SD-CE1 3.65Å; M639-F788 HydrophobicContact SD-CZ 4.39Å; L642-F788 HydrophobicContact CD2-CD1 4.07Å; L642-F788 HydrophobicContact CD2-CD2 4.16Å; L642-F788 HydrophobicContact CD2-CE1 3.81Å; L642-F788 HydrophobicContact CD2-CE2 3.9Å; L642-F788 HydrophobicContact CD2-CG 4.24Å; L642-F788 HydrophobicContact CD2-CZ 3.71Å; I761-F788 HydrophobicContact CD1-CE2 4.03Å; I761-F788 HydrophobicContact CG2-CD2 4.29Å; I761-F788 HydrophobicContact CG2-CE2 4.29Å; V784-F788 PolarHBondContact O-N 3.23Å; F785-F788 WeakPolarHBondContact O-CB 3.05Å; F785-F788 PolarHBondContact O-N 3.31Å; K786-F788 VanDerWaalsContact C-N 3.34Å; K786-F788 PolarHBondContact O-N 3.26Å; F788-T791 PolarHBondContact O-N 3.15Å; F788-T791 PolarHBondContact O-OG1 3.1Å; F788-T791 VanDerWaalsContact O-OG1 3.07Å; F788-Y792 AromaticContact CD2-CD2 3.7Å; F788-Y792 HydrophobicContact CD2-CD2 3.7Å; F788-Y792 HydrophobicContact CD2-CE2 4.36Å; F788-Y792 HydrophobicContact CD2-CG 4.32Å; F788-Y792 AromaticContact CE2-CD2 3.46Å; F788-Y792 HydrophobicContact CE2-CD2 3.46Å; F788-Y792 VanDerWaalsContact CE2-CD2 3.46Å; F788-Y792 HydrophobicContact CE2-CE2 4.07Å; F788-Y792 AromaticContact CE2-CG 3.75Å; F788-Y792 HydrophobicContact CE2-CG 3.75Å; F788-Y792 HydrophobicContact CG-CD2 4.5Å; F788-Y792 HydrophobicContact CZ-CD2 4.09Å; F788-Y792 AromaticContact CZ-CG 3.9Å; F788-Y792 HydrophobicContact CZ-CG 3.9Å; F788-Y792 PolarHBondContact O-N 3.16Å; F788-L793 HydrophobicContact CD1-CG 4.41Å; F788-L793 HydrophobicContact CE1-CD2 4.13Å; F788-L793 HydrophobicContact CE1-CG 4.26Å; F788-F808 HydrophobicContact CB-CD2 4.05Å; F788-F808 HydrophobicContact CB-CE2 3.66Å; F788-F808 HydrophobicContact CD2-CD2 4.2Å; F788-F808 AromaticContact CD2-CE2 3.95Å; F788-F808 HydrophobicContact CD2-CE2 3.95Å; F788-F808 HydrophobicContact CD2-CZ 4.18Å; F788-F808 HydrophobicContact CG-CE2 4.32Å
789R93.8Very high90.2Very high11 Ų1139.4 Ų39.44%0.04219%0.188CC..Iπ-helixtrans-60.2-50.7175.2-178.4-151.8-173.3-155.3-35.2111.8F496 H497 F498 D526 F785 K786 T791 L793 T794F496-R789 WeakPolarHBondContact O-CD 3.34Å; F496-R789 WeakPolarHBondContact O-CG 3.39Å; F496-R789 PolarHBondContact O-NE 2.82Å; H497-R789 PolarHBondContact O-NH1 3.29Å; F498-R789 HydrophobicContact CE1-CG 4.2Å; F498-R789 HydrophobicContact CE2-CG 4.11Å; F498-R789 HydrophobicContact CZ-CG 3.59Å; D526-R789 IonicContact OD1-CZ 2.82Å; D526-R789 IonicContact OD1-NH1 3.78Å; D526-R789 PolarHBondContact OD1-NH1 3.31Å; D526-R789 IonicContact OD1-NH2 3.81Å; D526-R789 PolarHBondContact OD1-NH2 3.03Å; D526-R789 IonicContact OD2-CZ 3.38Å; D526-R789 IonicContact OD2-NH1 3.44Å; D526-R789 IonicContact OD2-NH2 2.79Å; D526-R789 PolarHBondContact OD2-NH2 3.39Å; F785-R789 WeakPolarHBondContact O-CB 3.43Å; F785-R789 PolarHBondContact O-N 3.11Å; K786-R789 WeakPolarHBondContact O-CB 3.48Å; K786-R789 PolarHBondContact O-N 3.4Å; R789-T791 PolarHBondContact O-N 2.96Å; R789-T791 VanDerWaalsContact O-N 3.12Å; R789-L793 HydrophobicContact CB-CD1 4.33Å; R789-L793 HydrophobicContact CG-CD1 4.25Å; R789-L793 WeakPolarHBondContact O-CB 3.31Å; R789-L793 PolarHBondContact O-N 3.43Å; R789-T794 PolarHBondContact O-N 2.7Å; R789-T794 PolarHBondContact O-OG1 2.92Å
790D92.8Very high90.3Very high70 Ų7033.6 Ų33.637%0.37416%0.164SC..Iπ-helixtrans-68.3-11.2-177.8-63.9-12.7000112.4K786 T794 Y795K786-D790 WeakPolarHBondContact O-CB 3.46Å; K786-D790 PolarHBondContact O-N 3.43Å; D790-T794 WeakPolarHBondContact CA-OG1 3.46Å; D790-T794 WeakPolarHBondContact O-CB 3.35Å; D790-Y795 WeakPolarHBondContact O-CD2 3.2Å; D790-Y795 WeakPolarHBondContact O-CE2 3.4Å
791T93.1Very high90.3Very high9 Ų927.5 Ų27.56%0.05514%0.138CC..Iπ-helixtrans-107.1-84.3174.952.40000111.6R787 F788 R789 L793 T794 Y795 R807 F808R787-T791 WeakPolarHBondContact O-CB 3.25Å; R787-T791 WeakPolarHBondContact O-CG2 3.11Å; R787-T791 PolarHBondContact O-N 3.21Å; R787-T791 VanDerWaalsContact O-N 3.13Å; R787-T791 PolarHBondContact O-OG1 3.13Å; F788-T791 PolarHBondContact O-N 3.15Å; F788-T791 PolarHBondContact O-OG1 3.1Å; F788-T791 VanDerWaalsContact O-OG1 3.07Å; R789-T791 PolarHBondContact O-N 2.96Å; R789-T791 VanDerWaalsContact O-N 3.12Å; T791-L793 VanDerWaalsContact C-N 3.26Å; T791-L793 PolarHBondContact O-N 3.42Å; T791-T794 PolarHBondContact O-N 3.03Å; T791-T794 VanDerWaalsContact O-N 3.15Å; T791-Y795 PolarHBondContact O-N 2.79Å; T791-Y795 VanDerWaalsContact O-N 3.14Å; T791-R807 HydrophobicContact CG2-CB 3.91Å; T791-F808 HydrophobicContact CG2-CB 4.24Å
792Y90.2Very high90.4Very high7 Ų729.1 Ų29.13%0.02715%0.151CC..Iπ-helixtrans-60.7-30.4-172-82.9-86.1000114.4T635 V638 F788 L804 F805 F808T635-Y792 HydrophobicContact CG2-CE1 3.93Å; V638-Y792 HydrophobicContact CG1-CD1 4.43Å; V638-Y792 HydrophobicContact CG1-CE1 4.34Å; V638-Y792 HydrophobicContact CG2-CE1 4.44Å; F788-Y792 AromaticContact CD2-CD2 3.7Å; F788-Y792 HydrophobicContact CD2-CD2 3.7Å; F788-Y792 HydrophobicContact CD2-CE2 4.36Å; F788-Y792 HydrophobicContact CD2-CG 4.32Å; F788-Y792 AromaticContact CE2-CD2 3.46Å; F788-Y792 HydrophobicContact CE2-CD2 3.46Å; F788-Y792 VanDerWaalsContact CE2-CD2 3.46Å; F788-Y792 HydrophobicContact CE2-CE2 4.07Å; F788-Y792 AromaticContact CE2-CG 3.75Å; F788-Y792 HydrophobicContact CE2-CG 3.75Å; F788-Y792 HydrophobicContact CG-CD2 4.5Å; F788-Y792 HydrophobicContact CZ-CD2 4.09Å; F788-Y792 AromaticContact CZ-CG 3.9Å; F788-Y792 HydrophobicContact CZ-CG 3.9Å; F788-Y792 PolarHBondContact O-N 3.16Å; Y792-L804 HydrophobicContact CD1-CD2 3.67Å; Y792-L804 HydrophobicContact CD1-CG 4.28Å; Y792-L804 HydrophobicContact CE1-CD2 3.74Å; Y792-L804 HydrophobicContact CE1-CG 4.2Å; Y792-L804 HydrophobicContact CG-CD2 4.24Å; Y792-L804 HydrophobicContact CG-CG 4.47Å; Y792-F805 WeakPolarHBondContact OH-CD2 3.46Å; Y792-F808 HydrophobicContact CD2-CB 4.35Å; Y792-F808 HydrophobicContact CD2-CG 4.43Å; Y792-F808 HydrophobicContact CE2-CB 3.96Å; Y792-F808 HydrophobicContact CE2-CD1 4.25Å; Y792-F808 HydrophobicContact CE2-CG 4.1Å
793L90.5Very high90.5Very high1 Ų128.9 Ų28.91%0.00515%0.145CC..Iπ-helixtrans-94.6-13.2-178.4-50.7-173000112.8F496 F498 Q613 S616 C617 M639 F788 R789 T791F496-L793 HydrophobicContact CD1-CD1 4.42Å; F498-L793 HydrophobicContact CE2-CD1 3.64Å; F498-L793 HydrophobicContact CZ-CD1 3.96Å; Q613-L793 HydrophobicContact CB-CD2 4.01Å; Q613-L793 HydrophobicContact CG-CD2 4.03Å; S616-L793 CarbonylContact C-O 3.53Å; S616-L793 WeakPolarHBondContact OG-CB 3.34Å; C617-L793 WeakPolarHBondContact CA-O 3.45Å; C617-L793 PolarHBondContact N-O 3.02Å; M639-L793 HydrophobicContact CB-CD2 4.15Å; M639-L793 HydrophobicContact CE-CD1 3.94Å; M639-L793 HydrophobicContact CE-CD2 4.31Å; M639-L793 HydrophobicContact CG-CD2 3.86Å; M639-L793 HydrophobicContact SD-CD1 4.37Å; M639-L793 HydrophobicContact SD-CD2 3.89Å; F788-L793 HydrophobicContact CD1-CG 4.41Å; F788-L793 HydrophobicContact CE1-CD2 4.13Å; F788-L793 HydrophobicContact CE1-CG 4.26Å; R789-L793 HydrophobicContact CB-CD1 4.33Å; R789-L793 HydrophobicContact CG-CD1 4.25Å; R789-L793 WeakPolarHBondContact O-CB 3.31Å; R789-L793 PolarHBondContact O-N 3.43Å; T791-L793 VanDerWaalsContact C-N 3.26Å; T791-L793 PolarHBondContact O-N 3.42Å
794T87.9Confident90.4Very high24 Ų2424.1 Ų24.115%0.14712%0.123CC..THydrogen-bonded Turntrans-100.3-46.1-173.6-65.60000112.4R618 R789 D790 T791R618-T794 HydrophobicContact CB-CG2 3.87Å; R618-T794 HydrophobicContact CG-CG2 3.79Å; R618-T794 PolarHBondContact N-O 2.85Å; R789-T794 PolarHBondContact O-N 2.7Å; R789-T794 PolarHBondContact O-OG1 2.92Å; D790-T794 WeakPolarHBondContact CA-OG1 3.46Å; D790-T794 WeakPolarHBondContact O-CB 3.35Å; T791-T794 PolarHBondContact O-N 3.03Å; T791-T794 VanDerWaalsContact O-N 3.15Å
795Y85.9Confident90.4Very high51 Ų5124.1 Ų24.120%0.212%0.122CC..SBendtrans-89.3-8.2-169.1-72.2-80.8000115.4Y173 V619 D790 T791 S797 A798 I799Y173-Y795 AromaticContact CE1-CD1 3.66Å; Y173-Y795 HydrophobicContact CE1-CD1 3.66Å; Y173-Y795 HydrophobicContact CE1-CE1 4.17Å; V619-Y795 WeakPolarHBondContact CG2-O 3.27Å; D790-Y795 WeakPolarHBondContact O-CD2 3.2Å; D790-Y795 WeakPolarHBondContact O-CE2 3.4Å; T791-Y795 PolarHBondContact O-N 2.79Å; T791-Y795 VanDerWaalsContact O-N 3.14Å; Y795-S797 PolarHBondContact O-N 3.34Å; Y795-S797 VanDerWaalsContact O-N 3.13Å; Y795-A798 VanDerWaalsContact O-CB 3.23Å; Y795-A798 WeakPolarHBondContact O-CB 3.4Å; Y795-A798 PolarHBondContact O-N 2.71Å; Y795-I799 HydrophobicContact CD1-CD1 3.21Å; Y795-I799 HydrophobicContact CD1-CG1 3.95Å; Y795-I799 HydrophobicContact CD2-CD1 3.96Å; Y795-I799 HydrophobicContact CE1-CD1 3.58Å; Y795-I799 HydrophobicContact CE2-CD1 4.26Å; Y795-I799 HydrophobicContact CG-CD1 3.41Å; Y795-I799 VanDerWaalsContact CG-CD1 3.41Å; Y795-I799 HydrophobicContact CG-CG1 4.25Å
796G79.4Confident90.5Very high8 Ų829.3 Ų29.38%0.08214%0.142CC..THydrogen-bonded Turntrans50-122.3-179.100000111.9
797S79.3Confident90.6Very high6 Ų629 Ų294%0.04214%0.138CC..THydrogen-bonded Turntrans-104.112176.6-29.80000113.8Y401 L624 Y630 I631 Y795 I799Y401-S797 VanDerWaalsContact CD1-O 3.24Å; Y401-S797 WeakPolarHBondContact CD1-O 3.47Å; L624-S797 WeakPolarHBondContact O-CB 3.34Å; L624-S797 PolarHBondContact O-N 2.82Å; L624-S797 PolarHBondContact O-OG 2.84Å; Y630-S797 WeakPolarHBondContact O-CB 3.5Å; Y630-S797 PolarHBondContact O-OG 3.15Å; I631-S797 WeakPolarHBondContact CA-OG 3.38Å; I631-S797 WeakPolarHBondContact CG1-OG 3.36Å; I631-S797 PolarHBondContact N-OG 3.11Å; Y795-S797 PolarHBondContact O-N 3.34Å; Y795-S797 VanDerWaalsContact O-N 3.13Å; S797-I799 PolarHBondContact O-N 3.38Å
798A84.7Confident90.6Very high1 Ų124.8 Ų24.81%0.00812%0.122CC..SBendtrans-70.8-15.4-177.600000113.8Y173 V619 L624 Y795Y173-A798 HydrophobicContact CD1-CB 3.48Å; Y173-A798 VanDerWaalsContact CD1-CB 3.48Å; Y173-A798 HydrophobicContact CE1-CB 4.12Å; Y173-A798 HydrophobicContact CG-CB 4.49Å; V619-A798 HydrophobicContact CG1-CB 4.4Å; V619-A798 HydrophobicContact CG2-CB 4.07Å; L624-A798 HydrophobicContact CD1-CB 3.9Å; Y795-A798 VanDerWaalsContact O-CB 3.23Å; Y795-A798 WeakPolarHBondContact O-CB 3.4Å; Y795-A798 PolarHBondContact O-N 2.71Å
799I88.5Confident90.6Very high5 Ų526.3 Ų26.33%0.02613%0.128CC..SBendtrans-124.7141-179-62.2176.4000108.3E172 Y795 S797 E803 L804 R807E172-I799 HydrophobicContact CG-CG1 4.18Å; Y795-I799 HydrophobicContact CD1-CD1 3.21Å; Y795-I799 HydrophobicContact CD1-CG1 3.95Å; Y795-I799 HydrophobicContact CD2-CD1 3.96Å; Y795-I799 HydrophobicContact CE1-CD1 3.58Å; Y795-I799 HydrophobicContact CE2-CD1 4.26Å; Y795-I799 HydrophobicContact CG-CD1 3.41Å; Y795-I799 VanDerWaalsContact CG-CD1 3.41Å; Y795-I799 HydrophobicContact CG-CG1 4.25Å; S797-I799 PolarHBondContact O-N 3.38Å; I799-E803 HydrophobicContact CG2-CB 3.64Å; I799-E803 HydrophobicContact CG2-CG 3.42Å; I799-E803 VanDerWaalsContact CG2-CG 3.42Å; I799-L804 HydrophobicContact CG2-CB 4.45Å; I799-R807 VanDerWaalsContact CD1-CZ 3.49Å
800P90.3Very high90.8Very high32 Ų3229.1 Ų29.121%0.20816%0.161CC..  trans-51.6137.3171.5-29.737.7000112.5P400 Y401 A802 E803 L804P400-P800 HydrophobicContact CB-CB 4.42Å; P400-P800 HydrophobicContact CB-CG 4.3Å; P400-P800 WeakPolarHBondContact O-CB 3.34Å; Y401-P800 HydrophobicContact CD1-CG 4.46Å; Y401-P800 HydrophobicContact CE1-CG 3.99Å; Y401-P800 HydrophobicContact CE2-CG 4.36Å; P800-A802 VanDerWaalsContact C-N 3.27Å; P800-A802 PolarHBondContact O-N 3.09Å; P800-A802 VanDerWaalsContact O-N 3.14Å; P800-E803 HydrophobicContact CB-CB 4.32Å; P800-E803 PolarHBondContact O-N 2.88Å; P800-L804 PolarHBondContact O-N 3.44Å
801P90.8Very high90.9Very high6 Ų629.5 Ų29.54%0.03916%0.157CC..Hα-helixtrans-52.1-38.7-177.7-32.438.4000115.5P400 S404 A632 T635 L804 F805P400-P801 WeakPolarHBondContact O-CD 3.25Å; S404-P801 VanDerWaalsContact OG-CB 3.22Å; S404-P801 WeakPolarHBondContact OG-CB 3.23Å; A632-P801 HydrophobicContact CB-CB 4.29Å; A632-P801 HydrophobicContact CB-CG 3.26Å; T635-P801 HydrophobicContact CG2-CB 3.83Å; T635-P801 HydrophobicContact CG2-CG 4.49Å; P801-L804 WeakPolarHBondContact O-CB 3.49Å; P801-L804 PolarHBondContact O-N 3.27Å; P801-F805 PolarHBondContact O-N 3.48Å
802A92.7Very high91Very high37 Ų3733.7 Ų33.731%0.30618%0.179SC..Hα-helixtrans-65.4-42.7177.100000111.8P800 F805 R806P800-A802 VanDerWaalsContact C-N 3.27Å; P800-A802 PolarHBondContact O-N 3.09Å; P800-A802 VanDerWaalsContact O-N 3.14Å; A802-F805 PolarHBondContact O-N 2.95Å; A802-R806 PolarHBondContact O-N 2.97Å
803E93.1Very high91.2Very high47 Ų4734.9 Ų34.922%0.2219%0.186CC..Hα-helixtrans-68.4-38.6176.6174.757.6-160.800111.6I799 P800 F805 R806 R807I799-E803 HydrophobicContact CG2-CB 3.64Å; I799-E803 HydrophobicContact CG2-CG 3.42Å; I799-E803 VanDerWaalsContact CG2-CG 3.42Å; P800-E803 HydrophobicContact CB-CB 4.32Å; P800-E803 PolarHBondContact O-N 2.88Å; E803-F805 VanDerWaalsContact C-N 3.29Å; E803-F805 PolarHBondContact O-N 2.82Å; E803-R806 PolarHBondContact O-N 2.81Å; E803-R806 VanDerWaalsContact O-N 3.16Å; E803-R806 IonicContact OE2-CZ 2.64Å; E803-R806 IonicContact OE2-NE 3.14Å; E803-R806 PolarHBondContact OE2-NE 2.82Å; E803-R806 IonicContact OE2-NH2 3.43Å; E803-R806 PolarHBondContact OE2-NH2 3.32Å; E803-R807 WeakPolarHBondContact O-CG 3.46Å; E803-R807 PolarHBondContact O-N 3.24Å; E803-R807 IonicContact OE1-CZ 3.83Å; E803-R807 IonicContact OE1-NE 3.27Å; E803-R807 PolarHBondContact OE1-NE 2.79Å; E803-R807 IonicContact OE1-NH2 3.31Å; E803-R807 PolarHBondContact OE1-NH2 3.32Å
804L92.2Very high91.4Very high4 Ų437.5 Ų37.52%0.02120%0.2CC..Hα-helixtrans-56.5-44.9173-17765.4000111.4T635 Y792 I799 P800 P801 R807 F808T635-L804 HydrophobicContact CG2-CD2 4.46Å; Y792-L804 HydrophobicContact CD1-CD2 3.67Å; Y792-L804 HydrophobicContact CD1-CG 4.28Å; Y792-L804 HydrophobicContact CE1-CD2 3.74Å; Y792-L804 HydrophobicContact CE1-CG 4.2Å; Y792-L804 HydrophobicContact CG-CD2 4.24Å; Y792-L804 HydrophobicContact CG-CG 4.47Å; I799-L804 HydrophobicContact CG2-CB 4.45Å; P800-L804 PolarHBondContact O-N 3.44Å; P801-L804 WeakPolarHBondContact O-CB 3.49Å; P801-L804 PolarHBondContact O-N 3.27Å; L804-R807 PolarHBondContact O-N 3.43Å; L804-F808 PolarHBondContact O-N 3.06Å
805F94.7Very high91.7Very high6 Ų637.7 Ų37.73%0.02620%0.201CC..Hα-helixtrans-64.9-43.8175-177.1-93.9000112.1L757 D760 I761 Y792 P801 A802 E803 R807 F808 R809 R811 L813L757-F805 HydrophobicContact CD1-CB 4.45Å; L757-F805 HydrophobicContact CD1-CD2 3.22Å; L757-F805 HydrophobicContact CD1-CE2 3.63Å; L757-F805 HydrophobicContact CD1-CG 4.01Å; D760-F805 HydrophobicContact CB-CE2 4.24Å; D760-F805 HydrophobicContact CB-CZ 3.93Å; D760-F805 WeakPolarHBondContact OD2-CZ 3.47Å; I761-F805 HydrophobicContact CG1-CE2 4.42Å; Y792-F805 WeakPolarHBondContact OH-CD2 3.46Å; P801-F805 PolarHBondContact O-N 3.48Å; A802-F805 PolarHBondContact O-N 2.95Å; E803-F805 VanDerWaalsContact C-N 3.29Å; E803-F805 PolarHBondContact O-N 2.82Å; F805-R807 VanDerWaalsContact C-N 3.3Å; F805-R807 PolarHBondContact O-N 3.37Å; F805-F808 HydrophobicContact CE2-CD1 4.47Å; F805-F808 PolarHBondContact O-N 2.85Å; F805-F808 VanDerWaalsContact O-N 3.1Å; F805-R809 HydrophobicContact CD1-CB 4.1Å; F805-R809 HydrophobicContact CE1-CB 3.53Å; F805-R809 HydrophobicContact CE1-CG 3.77Å; F805-R809 HydrophobicContact CE2-CB 4.24Å; F805-R809 HydrophobicContact CZ-CB 3.64Å; F805-R809 HydrophobicContact CZ-CG 3.66Å; F805-R809 WeakPolarHBondContact O-CB 2.97Å; F805-R809 PolarHBondContact O-N 2.96Å; F805-R811 WeakPolarHBondContact CD1-O 3.49Å; F805-R811 WeakPolarHBondContact CE1-O 3.03Å; F805-L813 HydrophobicContact CD1-CB 4.02Å; F805-L813 HydrophobicContact CD2-CD1 4.38Å; F805-L813 HydrophobicContact CE1-CB 3.88Å; F805-L813 HydrophobicContact CE1-CD1 4.04Å; F805-L813 VanDerWaalsContact CE1-N 3.34Å; F805-L813 HydrophobicContact CE2-CD1 3.75Å; F805-L813 HydrophobicContact CZ-CB 4.28Å; F805-L813 HydrophobicContact CZ-CD1 3.54Å
806R96.2Very high92Very high113 Ų11340.6 Ų40.643%0.42622%0.217SC..Hα-helixtrans-58-40.5176.7-76.1-164.1-66.5-148.22.8112.5A802 E803 F808 R809 G810 D812A802-R806 PolarHBondContact O-N 2.97Å; E803-R806 PolarHBondContact O-N 2.81Å; E803-R806 VanDerWaalsContact O-N 3.16Å; E803-R806 IonicContact OE2-CZ 2.64Å; E803-R806 IonicContact OE2-NE 3.14Å; E803-R806 PolarHBondContact OE2-NE 2.82Å; E803-R806 IonicContact OE2-NH2 3.43Å; E803-R806 PolarHBondContact OE2-NH2 3.32Å; R806-F808 VanDerWaalsContact C-N 3.33Å; R806-F808 PolarHBondContact O-N 3.4Å; R806-R809 PolarHBondContact O-N 2.81Å; R806-G810 WeakPolarHBondContact O-CA 3.45Å; R806-G810 PolarHBondContact O-N 3.14Å; R806-D812 WeakPolarHBondContact CD-OD1 3.01Å; R806-D812 VanDerWaalsContact CG-OD1 3.28Å; R806-D812 WeakPolarHBondContact CG-OD1 3.33Å
807R95.3Very high92.7Very high80 Ų8041.5 Ų41.530%0.30222%0.219SC..Hα-helixtrans-64.6-38175.5-69.8-177-172.2-161.84.7112.8E172 T791 I799 E803 L804 F805E172-R807 IonicContact OE1-CZ 2.75Å; E172-R807 IonicContact OE1-NH1 3.95Å; E172-R807 PolarHBondContact OE1-NH1 3.47Å; E172-R807 IonicContact OE1-NH2 3.51Å; E172-R807 PolarHBondContact OE1-NH2 3.28Å; E172-R807 IonicContact OE2-CZ 2.67Å; E172-R807 IonicContact OE2-NH1 3.15Å; E172-R807 PolarHBondContact OE2-NH1 2.98Å; E172-R807 IonicContact OE2-NH2 2.75Å; T791-R807 HydrophobicContact CG2-CB 3.91Å; I799-R807 VanDerWaalsContact CD1-CZ 3.49Å; E803-R807 WeakPolarHBondContact O-CG 3.46Å; E803-R807 PolarHBondContact O-N 3.24Å; E803-R807 IonicContact OE1-CZ 3.83Å; E803-R807 IonicContact OE1-NE 3.27Å; E803-R807 PolarHBondContact OE1-NE 2.79Å; E803-R807 IonicContact OE1-NH2 3.31Å; E803-R807 PolarHBondContact OE1-NH2 3.32Å; L804-R807 PolarHBondContact O-N 3.43Å; F805-R807 VanDerWaalsContact C-N 3.3Å; F805-R807 PolarHBondContact O-N 3.37Å
808F96.2Very high93.3Very high1 Ų141.4 Ų41.40%0.00422%0.218CC..Hα-helixtrans-71-45.1176.7169.7-108.4000112.2I761 S764 V784 R787 F788 T791 Y792 L804 F805 R806I761-F808 HydrophobicContact CB-CE1 4.21Å; I761-F808 HydrophobicContact CG1-CD1 4.22Å; I761-F808 HydrophobicContact CG1-CE1 3.7Å; I761-F808 HydrophobicContact CG1-CZ 4.47Å; I761-F808 HydrophobicContact CG2-CE1 4.2Å; I761-F808 HydrophobicContact CG2-CZ 4.17Å; S764-F808 WeakPolarHBondContact OG-CZ 3.2Å; V784-F808 HydrophobicContact CG1-CE2 4.21Å; V784-F808 HydrophobicContact CG1-CZ 4.15Å; R787-F808 WeakPolarHBondContact CD-O 3.4Å; R787-F808 HydrophobicContact CG-CD2 4.22Å; R787-F808 PolarHBondContact NE-O 2.94Å; F788-F808 HydrophobicContact CB-CD2 4.05Å; F788-F808 HydrophobicContact CB-CE2 3.66Å; F788-F808 HydrophobicContact CD2-CD2 4.2Å; F788-F808 AromaticContact CD2-CE2 3.95Å; F788-F808 HydrophobicContact CD2-CE2 3.95Å; F788-F808 HydrophobicContact CD2-CZ 4.18Å; F788-F808 HydrophobicContact CG-CE2 4.32Å; T791-F808 HydrophobicContact CG2-CB 4.24Å; Y792-F808 HydrophobicContact CD2-CB 4.35Å; Y792-F808 HydrophobicContact CD2-CG 4.43Å; Y792-F808 HydrophobicContact CE2-CB 3.96Å; Y792-F808 HydrophobicContact CE2-CD1 4.25Å; Y792-F808 HydrophobicContact CE2-CG 4.1Å; L804-F808 PolarHBondContact O-N 3.06Å; F805-F808 HydrophobicContact CE2-CD1 4.47Å; F805-F808 PolarHBondContact O-N 2.85Å; F805-F808 VanDerWaalsContact O-N 3.1Å; R806-F808 VanDerWaalsContact C-N 3.33Å; R806-F808 PolarHBondContact O-N 3.4Å
809R95.9Very high93.5Very high33 Ų3341.6 Ų41.613%0.12522%0.219CC..Hα-helixtrans-97.2-24.1-168.3-164.261.617899.8-5.4114.4D760 E767 F805 R806 R811D760-R809 IonicContact OD1-CZ 3.4Å; D760-R809 IonicContact OD1-NE 2.91Å; D760-R809 PolarHBondContact OD1-NE 3.48Å; D760-R809 IonicContact OD1-NH2 2.72Å; E767-R809 IonicContact OE1-CZ 3.23Å; E767-R809 IonicContact OE1-NH1 3.42Å; E767-R809 IonicContact OE1-NH2 2.64Å; E767-R809 PolarHBondContact OE1-NH2 3.21Å; E767-R809 IonicContact OE2-CZ 2.67Å; E767-R809 IonicContact OE2-NH1 3.95Å; E767-R809 PolarHBondContact OE2-NH1 3.49Å; E767-R809 IonicContact OE2-NH2 2.61Å; E767-R809 PolarHBondContact OE2-NH2 2.73Å; F805-R809 HydrophobicContact CD1-CB 4.1Å; F805-R809 HydrophobicContact CE1-CB 3.53Å; F805-R809 HydrophobicContact CE1-CG 3.77Å; F805-R809 HydrophobicContact CE2-CB 4.24Å; F805-R809 HydrophobicContact CZ-CB 3.64Å; F805-R809 HydrophobicContact CZ-CG 3.66Å; F805-R809 WeakPolarHBondContact O-CB 2.97Å; F805-R809 PolarHBondContact O-N 2.96Å; R806-R809 PolarHBondContact O-N 2.81Å; R809-R811 VanDerWaalsContact C-N 3.29Å; R809-R811 HydrophobicContact CB-CG 4.43Å; R809-R811 HydrophobicContact CG-CG 3.8Å; R809-R811 VanDerWaalsContact CZ-NH2 3.3Å; R809-R811 VanDerWaalsContact NE-NH2 3.19Å
810G96.2Very high93.5Very high71 Ų7147.1 Ų47.173%0.73224%0.243SC*.SBendtrans81.13.4-171.100000114.4R806R806-G810 WeakPolarHBondContact O-CA 3.45Å; R806-G810 PolarHBondContact O-N 3.14Å
811R96.3Very high93.3Very high77 Ų7748.6 Ų48.629%0.29125%0.246SC..SBendtrans-155.8168-178.857165.1178.974.3-2.3110.7D760 F805 R809D760-R811 IonicContact OD1-CZ 3.54Å; D760-R811 IonicContact OD1-NH1 3.12Å; D760-R811 IonicContact OD1-NH2 3.91Å; D760-R811 PolarHBondContact OD1-NH2 3.23Å; D760-R811 IonicContact OD2-CZ 2.62Å; D760-R811 IonicContact OD2-NH1 3.35Å; D760-R811 PolarHBondContact OD2-NH1 3.43Å; D760-R811 IonicContact OD2-NH2 3.29Å; D760-R811 PolarHBondContact OD2-NH2 2.94Å; F805-R811 WeakPolarHBondContact CD1-O 3.49Å; F805-R811 WeakPolarHBondContact CE1-O 3.03Å; R809-R811 VanDerWaalsContact C-N 3.29Å; R809-R811 HydrophobicContact CB-CG 4.43Å; R809-R811 HydrophobicContact CG-CG 3.8Å; R809-R811 VanDerWaalsContact CZ-NH2 3.3Å; R809-R811 VanDerWaalsContact NE-NH2 3.19Å
812D94.8Very high92.9Very high98 Ų9848.7 Ų48.752%0.52425%0.246SC..  trans-64.4159.8170.3-67-45.8000112R806 N814R806-D812 WeakPolarHBondContact CD-OD1 3.01Å; R806-D812 VanDerWaalsContact CG-OD1 3.28Å; R806-D812 WeakPolarHBondContact CG-OD1 3.33Å; D812-N814 PolarHBondContact O-N 3.43Å
813L94.9Very high92.4Very high32 Ų3250.7 Ų50.717%0.16825%0.249CC..  trans-61.2131.5-179.9-178.363.3000110.5W753 V756 L757 D760 F805 P815W753-L813 HydrophobicContact CD2-CD2 4.45Å; W753-L813 HydrophobicContact CH2-CD2 4.25Å; W753-L813 HydrophobicContact CZ2-CD2 3.65Å; V756-L813 HydrophobicContact CB-CD2 4.35Å; V756-L813 HydrophobicContact CG1-CD1 4.25Å; V756-L813 HydrophobicContact CG1-CD2 3.79Å; V756-L813 HydrophobicContact CG1-CG 3.98Å; L757-L813 HydrophobicContact CD1-CD1 3.96Å; L757-L813 HydrophobicContact CD1-CD2 4.28Å; D760-L813 HydrophobicContact CB-CD1 3.65Å; F805-L813 HydrophobicContact CD1-CB 4.02Å; F805-L813 HydrophobicContact CD2-CD1 4.38Å; F805-L813 HydrophobicContact CE1-CB 3.88Å; F805-L813 HydrophobicContact CE1-CD1 4.04Å; F805-L813 VanDerWaalsContact CE1-N 3.34Å; F805-L813 HydrophobicContact CE2-CD1 3.75Å; F805-L813 HydrophobicContact CZ-CB 4.28Å; F805-L813 HydrophobicContact CZ-CD1 3.54Å; L813-P815 WeakPolarHBondContact O-CD 3.34Å
814N95Very high91.9Very high56 Ų5652.2 Ų52.230%0.29926%0.259SS..  trans-100.798.9178.4-176.92.7000111D760 D812 Q816 L817D760-N814 PolarHBondContact OD2-N 3.47Å; D812-N814 PolarHBondContact O-N 3.43Å; N814-Q816 PolarHBondContact O-N 2.87Å; N814-Q816 WeakPolarHBondContact OD1-CB 3.14Å; N814-Q816 WeakPolarHBondContact OD1-CG 3.29Å; N814-Q816 PolarHBondContact OD1-N 3.1Å; N814-L817 HydrophobicContact CB-CD1 4.31Å; N814-L817 HydrophobicContact CB-CG 4.35Å; N814-L817 PolarHBondContact O-N 3.16Å
815P92.7Very high90.8Very high27 Ų2754.7 Ų54.718%0.17528%0.276CS..THydrogen-bonded Turntrans-64.9-20.9179.326.7-34.6000114V415 V756 L813 L817 F818 L819V415-P815 HydrophobicContact CG2-CB 3.8Å; V415-P815 HydrophobicContact CG2-CG 4.23Å; V756-P815 HydrophobicContact CG1-CB 4.07Å; L813-P815 WeakPolarHBondContact O-CD 3.34Å; P815-L817 PolarHBondContact O-N 2.76Å; P815-F818 PolarHBondContact O-N 2.84Å; P815-F818 VanDerWaalsContact O-N 3.14Å; P815-L819 PolarHBondContact O-N 3.2Å
816Q93.6Very high89.2Confident113 Ų11356.9 Ų56.953%0.52829%0.287SS..Hα-helixtrans-63.3-24.8-179.4-59.5-62.6-23.200112.9N814 L819 K820N814-Q816 PolarHBondContact O-N 2.87Å; N814-Q816 WeakPolarHBondContact OD1-CB 3.14Å; N814-Q816 WeakPolarHBondContact OD1-CG 3.29Å; N814-Q816 PolarHBondContact OD1-N 3.1Å; Q816-L819 PolarHBondContact O-N 3.15Å; Q816-K820 VanDerWaalsContact O-CB 3.23Å; Q816-K820 WeakPolarHBondContact O-CB 3.37Å; Q816-K820 PolarHBondContact O-N 3.23Å
817L93.4Very high87.2Confident26 Ų2658.5 Ų58.514%0.13630%0.3CS..Hα-helixtrans-64.8-41.5176.1-64.5175.1000111.7E759 D760 H763 N814 P815 K821E759-L817 HydrophobicContact CG-CB 4.19Å; D760-L817 HydrophobicContact CB-CD1 3.95Å; D760-L817 VanDerWaalsContact CG-CD1 3.49Å; D760-L817 WeakPolarHBondContact OD1-CD1 3.41Å; H763-L817 HydrophobicContact CB-CD1 3.86Å; N814-L817 HydrophobicContact CB-CD1 4.31Å; N814-L817 HydrophobicContact CB-CG 4.35Å; N814-L817 PolarHBondContact O-N 3.16Å; P815-L817 PolarHBondContact O-N 2.76Å; L817-K821 PolarHBondContact O-N 2.91Å
818F91.5Very high85.1Confident4 Ų458.7 Ų58.72%0.01831%0.314CS..Hα-helixtrans-69.2-41.8176177.7-109000111.7L686 K755 V756 E759 P815 K821 I822L686-F818 HydrophobicContact CD1-CZ 4.35Å; L686-F818 HydrophobicContact CD2-CZ 4.15Å; K755-F818 HydrophobicContact CB-CD2 4.33Å; K755-F818 HydrophobicContact CB-CE2 3.88Å; K755-F818 HydrophobicContact CB-CZ 4.36Å; V756-F818 HydrophobicContact CB-CB 4.39Å; V756-F818 HydrophobicContact CG1-CB 4.36Å; V756-F818 HydrophobicContact CG2-CB 4.02Å; V756-F818 HydrophobicContact CG2-CD1 3.81Å; V756-F818 HydrophobicContact CG2-CE1 4.48Å; V756-F818 HydrophobicContact CG2-CG 3.95Å; E759-F818 HydrophobicContact CB-CB 4.46Å; P815-F818 PolarHBondContact O-N 2.84Å; P815-F818 VanDerWaalsContact O-N 3.14Å; F818-K821 WeakPolarHBondContact O-CB 3.49Å; F818-K821 PolarHBondContact O-N 3.48Å; F818-I822 HydrophobicContact CD1-CD1 3.89Å; F818-I822 HydrophobicContact CE1-CD1 3.43Å; F818-I822 VanDerWaalsContact CE1-CD1 3.43Å; F818-I822 HydrophobicContact CE1-CG1 4.42Å; F818-I822 HydrophobicContact CE2-CD1 4.38Å; F818-I822 HydrophobicContact CZ-CD1 3.7Å; F818-I822 HydrophobicContact CZ-CG1 4.32Å; F818-I822 WeakPolarHBondContact O-CG1 3.43Å; F818-I822 PolarHBondContact O-N 2.97Å
819L88.9Confident82.3Confident5 Ų563.8 Ų63.83%0.02635%0.346CS..Hα-helixtrans-61.9-46.9175.9-60.9177.6000111.3P418 S419 L422 P815 Q816 K821 I822 E823P418-L819 HydrophobicContact CB-CD1 3.94Å; P418-L819 HydrophobicContact CB-CD2 4.26Å; S419-L819 VanDerWaalsContact OG-CD2 3.29Å; S419-L819 WeakPolarHBondContact OG-CD2 3.5Å; L422-L819 HydrophobicContact CD1-CB 4.16Å; L422-L819 HydrophobicContact CD1-CD2 4.12Å; P815-L819 PolarHBondContact O-N 3.2Å; Q816-L819 PolarHBondContact O-N 3.15Å; L819-K821 VanDerWaalsContact C-N 3.28Å; L819-K821 PolarHBondContact O-N 2.99Å; L819-I822 WeakPolarHBondContact O-CA 3.14Å; L819-I822 WeakPolarHBondContact O-CB 3.38Å; L819-I822 PolarHBondContact O-N 3.46Å; L819-E823 WeakPolarHBondContact O-CG 3.48Å; L819-E823 PolarHBondContact O-N 3.33Å
820K89.5Confident79.2Confident122 Ų12270.6 Ų70.653%0.5338%0.38SS..Hα-helixtrans-60-36.8175.8-173.6174.5-176.7176.10112.4Q816 I822 E823 N824Q816-K820 VanDerWaalsContact O-CB 3.23Å; Q816-K820 WeakPolarHBondContact O-CB 3.37Å; Q816-K820 PolarHBondContact O-N 3.23Å; K820-I822 VanDerWaalsContact C-N 3.35Å; K820-E823 PolarHBondContact O-N 3.38Å; K820-N824 WeakPolarHBondContact O-CB 3.41Å; K820-N824 PolarHBondContact O-N 2.92Å; K820-N824 PolarHBondContact O-ND2 3.23Å; K820-N824 PolarHBondContact O-OD1 2.88Å
821K85.8Confident76Confident63 Ų6373.8 Ų73.827%0.27438%0.377SS..Hα-helixtrans-63.9-40.4173.4176.9172.7-177.41750112.2M1 E759 L817 F818 L819 S825M1-K821 PolarHBondContact SD-NZ 2.95Å; E759-K821 HydrophobicContact CG-CD 4.29Å; E759-K821 IonicContact OE1-NZ 3.41Å; E759-K821 WeakPolarHBondContact OE2-CD 3.13Å; E759-K821 WeakPolarHBondContact OE2-CE 3.49Å; E759-K821 IonicContact OE2-NZ 2.65Å; E759-K821 PolarHBondContact OE2-NZ 3.2Å; L817-K821 PolarHBondContact O-N 2.91Å; F818-K821 WeakPolarHBondContact O-CB 3.49Å; F818-K821 PolarHBondContact O-N 3.48Å; L819-K821 VanDerWaalsContact C-N 3.28Å; L819-K821 PolarHBondContact O-N 2.99Å; K821-S825 PolarHBondContact O-N 3.04Å
822I83.1Confident72.6Confident7 Ų773.5 Ų73.54%0.03639%0.386CS..Hα-helixtrans-61.6-49.2173.1-66.3164.7000109.3L422 L423 F818 L819 K820 N824 S825 M826L422-I822 HydrophobicContact CB-CG2 4.22Å; L423-I822 HydrophobicContact CD1-CD1 3.93Å; L423-I822 HydrophobicContact CD2-CD1 4.24Å; L423-I822 HydrophobicContact CD2-CG1 4.29Å; L423-I822 HydrophobicContact CD2-CG2 3.71Å; L423-I822 HydrophobicContact CG-CD1 4Å; L423-I822 HydrophobicContact CG-CG2 3.97Å; F818-I822 HydrophobicContact CD1-CD1 3.89Å; F818-I822 HydrophobicContact CE1-CD1 3.43Å; F818-I822 VanDerWaalsContact CE1-CD1 3.43Å; F818-I822 HydrophobicContact CE1-CG1 4.42Å; F818-I822 HydrophobicContact CE2-CD1 4.38Å; F818-I822 HydrophobicContact CZ-CD1 3.7Å; F818-I822 HydrophobicContact CZ-CG1 4.32Å; F818-I822 WeakPolarHBondContact O-CG1 3.43Å; F818-I822 PolarHBondContact O-N 2.97Å; L819-I822 WeakPolarHBondContact O-CA 3.14Å; L819-I822 WeakPolarHBondContact O-CB 3.38Å; L819-I822 PolarHBondContact O-N 3.46Å; K820-I822 VanDerWaalsContact C-N 3.35Å; I822-N824 PolarHBondContact O-N 3.14Å; I822-S825 WeakPolarHBondContact O-CB 3.42Å; I822-S825 PolarHBondContact O-N 3.41Å; I822-S825 VanDerWaalsContact O-N 3.12Å; I822-S825 PolarHBondContact O-OG 3.39Å; I822-M826 WeakPolarHBondContact O-CG 2.85Å; I822-M826 PolarHBondContact O-N 3.3Å
823E81.8Confident69.3Low79 Ų7975 Ų7537%0.36940%0.398SS..Hα-helixtrans-58.4-48.2179-69.3171.7166.900112.6L422 L819 K820 S825 M826 E827L422-E823 HydrophobicContact CD1-CG 3.93Å; L422-E823 HydrophobicContact CD2-CG 4.09Å; L819-E823 WeakPolarHBondContact O-CG 3.48Å; L819-E823 PolarHBondContact O-N 3.33Å; K820-E823 PolarHBondContact O-N 3.38Å; E823-S825 PolarHBondContact O-N 3.46Å; E823-M826 WeakPolarHBondContact O-CA 3.36Å; E823-M826 WeakPolarHBondContact O-CB 3.44Å; E823-M826 WeakPolarHBondContact O-CG 3.34Å; E823-M826 PolarHBondContact O-N 3.12Å; E823-E827 PolarHBondContact O-N 2.91Å
824N81.3Confident66.1Low79 Ų7980 Ų8042%0.42242%0.423SS..Hα-helixtrans-60.2-31.9177.4-68.8-9.8000112.2K820 I822 M826 E827 S828K820-N824 WeakPolarHBondContact O-CB 3.41Å; K820-N824 PolarHBondContact O-N 2.92Å; K820-N824 PolarHBondContact O-ND2 3.23Å; K820-N824 PolarHBondContact O-OD1 2.88Å; I822-N824 PolarHBondContact O-N 3.14Å; N824-M826 PolarHBondContact O-N 3.08Å; N824-E827 PolarHBondContact O-N 3.22Å; N824-S828 PolarHBondContact O-OG 3.36Å
825S68.9Low62.8Low56 Ų5682.2 Ų82.239%0.39244%0.443SS..Hα-helixtrans-70.4-18.8174.179.70000113K821 I822 E823K821-S825 PolarHBondContact O-N 3.04Å; I822-S825 WeakPolarHBondContact O-CB 3.42Å; I822-S825 PolarHBondContact O-N 3.41Å; I822-S825 VanDerWaalsContact O-N 3.12Å; I822-S825 PolarHBondContact O-OG 3.39Å; E823-S825 PolarHBondContact O-N 3.46Å
826M62.3Low59.9Low52 Ų5289.1 Ų89.126%0.25647%0.473SS..Hα-helixtrans-77.5-35.1171.7-47.2-176.755.400111.9Q425 V426 I822 E823 N824 S828Q425-M826 HydrophobicContact CB-CE 4.44Å; V426-M826 HydrophobicContact CG2-CE 3.63Å; V426-M826 HydrophobicContact CG2-CG 3.42Å; V426-M826 VanDerWaalsContact CG2-CG 3.42Å; V426-M826 HydrophobicContact CG2-SD 3.55Å; V426-M826 VanDerWaalsContact CG2-SD 3.55Å; I822-M826 WeakPolarHBondContact O-CG 2.85Å; I822-M826 PolarHBondContact O-N 3.3Å; E823-M826 WeakPolarHBondContact O-CA 3.36Å; E823-M826 WeakPolarHBondContact O-CB 3.44Å; E823-M826 WeakPolarHBondContact O-CG 3.34Å; E823-M826 PolarHBondContact O-N 3.12Å; N824-M826 PolarHBondContact O-N 3.08Å; M826-S828 VanDerWaalsContact C-N 3.29Å; M826-S828 PolarHBondContact O-N 3.38Å
827E54.9Low56.7Low148 Ų14890 Ų9069%0.69248%0.482SS*.SBendtrans-81.11.6-173-68.1-173170.500114.6E823 N824 P829E823-E827 PolarHBondContact O-N 2.91Å; N824-E827 PolarHBondContact O-N 3.22Å; E827-P829 WeakPolarHBondContact O-CD 3.36Å; E827-P829 WeakPolarHBondContact O-CG 2.97Å
828S50Low53.8Low84 Ų8494.5 Ų94.559%0.58751%0.505SS*.  trans-99.978.7-179.2-56.70000111.6N824 M826N824-S828 PolarHBondContact O-OG 3.36Å; M826-S828 VanDerWaalsContact C-N 3.29Å; M826-S828 PolarHBondContact O-N 3.38Å
829P36.7Very low51Low107 Ų10798.5 Ų98.570%0.69553%0.534SS*.  trans-10729-164.621.46.3000110.5E827 M831E827-P829 WeakPolarHBondContact O-CD 3.36Å; E827-P829 WeakPolarHBondContact O-CG 2.97Å; P829-M831 PolarHBondContact O-N 3.02Å
830E31.9Very low48.1Very low177 Ų177102.9 Ų102.983%0.82756%0.562SS**  trans-75.381.4177.7-73.3-169.7176.300110P832E830-P832 WeakPolarHBondContact O-CD 3.45Å
831M28.6Very low45.5Very low137 Ų137102.7 Ų102.768%0.67557%0.566SS**  trans-63.7119.5145.9-78.7-74.2-67.600107.2P829 V833P829-M831 PolarHBondContact O-N 3.02Å; M831-V833 PolarHBondContact O-N 3Å
832P25.5Very low43Very low72 Ų72107.8 Ų107.847%0.46860%0.595SS.*  trans-68.297.1159.828.2-27.8000106.4F667 E830 I834F667-P832 HydrophobicContact CE2-CG 4.22Å; F667-P832 HydrophobicContact CZ-CG 4.03Å; E830-P832 WeakPolarHBondContact O-CD 3.45Å; P832-I834 VanDerWaalsContact C-N 3.32Å; P832-I834 PolarHBondContact O-N 3.49Å; P832-I834 VanDerWaalsContact O-N 3.09Å
833V24.2Very low40.2Very low129 Ų129113.3 Ų113.378%0.78263%0.63SS**  trans-68.198.4159.9177.50000105.6M831M831-V833 PolarHBondContact O-N 3Å
834I29.2Very low37.4Very low136 Ų136124.3 Ų124.370%0.69767%0.668SS**  trans-132.2102.9154-55.8-179.2000106.4P832 E836P832-I834 VanDerWaalsContact C-N 3.32Å; P832-I834 PolarHBondContact O-N 3.49Å; P832-I834 VanDerWaalsContact O-N 3.09Å; I834-E836 PolarHBondContact O-N 3.48Å
835S25.3Very low35.2Very low104 Ų104126.6 Ų126.673%0.72768%0.68SS**  trans-54.8119.8156.153.70000108.7
836E30.7Very low33.5Very low171 Ų171130.3 Ų130.380%0.79970%0.695SS**  trans-154.9129.2153.4-111.4165.6-147.900108.9I834 L838I834-E836 PolarHBondContact O-N 3.48Å; E836-L838 PolarHBondContact O-N 3.46Å
837D28.2Very low31.8Very low132 Ų132134.6 Ų134.671%0.70672%0.719SS**  trans-61.9117.7-176.5-169.6-0.9000110.7S839D837-S839 WeakPolarHBondContact OD1-CB 3.48Å; D837-S839 PolarHBondContact OD1-N 3.11Å; D837-S839 PolarHBondContact OD1-OG 3.32Å
838L31.7Very low30.5Very low120 Ų120133.8 Ų133.863%0.62872%0.721SS**  trans-12035.3175.1-69.9176000112E836 P840 I841E836-L838 PolarHBondContact O-N 3.46Å; L838-P840 WeakPolarHBondContact O-CD 3.35Å; L838-I841 HydrophobicContact CB-CD1 4.38Å; L838-I841 HydrophobicContact CD1-CD1 4.14Å; L838-I841 HydrophobicContact CD2-CD1 3.94Å; L838-I841 HydrophobicContact CG-CD1 4.39Å; L838-I841 PolarHBondContact O-N 2.62Å
839S33.4Very low29.3Very low89 Ų89136.9 Ų136.962%0.62273%0.729SS**THydrogen-bonded Turntrans-50.2-6.9164.145.40000116.9D837D837-S839 WeakPolarHBondContact OD1-CB 3.48Å; D837-S839 PolarHBondContact OD1-N 3.11Å; D837-S839 PolarHBondContact OD1-OG 3.32Å
840P28Very low28.8Very low96 Ų96138.9 Ų138.962%0.62373%0.732SS**THydrogen-bonded Turntrans-10310.2171219000118.1L838L838-P840 WeakPolarHBondContact O-CD 3.35Å
841I34.6Very low28.5Very low119 Ų119136.2 Ų136.261%0.6173%0.725SS**SBendtrans-96.7-8.5-178-61.5-178.9000113.8L838 T843L838-I841 HydrophobicContact CB-CD1 4.38Å; L838-I841 HydrophobicContact CD1-CD1 4.14Å; L838-I841 HydrophobicContact CD2-CD1 3.94Å; L838-I841 HydrophobicContact CG-CD1 4.39Å; L838-I841 PolarHBondContact O-N 2.62Å; I841-T843 PolarHBondContact O-N 3.37Å; I841-T843 VanDerWaalsContact O-N 3.08Å
842L32.2Very low28.5Very low170 Ų170136.2 Ų136.289%0.8973%0.729SS**SBendtrans-8230.6177.6-74.8165.1000114.6
843T25Very low28.8Very low123 Ų123141.5 Ų141.576%0.75575%0.751SS**  trans-139.639.3-179.419.20000114.4I841I841-T843 PolarHBondContact O-N 3.37Å; I841-T843 VanDerWaalsContact O-N 3.08Å
844R23.2Very low29.2Very low309 Ų309142.6 Ų142.6100%1.16675%0.748SS**  trans-151.50157.2-76.4-167.6177.2168.8-1.4109.2

Retrieved 844 of 844 residues in 2421.5 ms (Link to these results)

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