A0A3Q0KD14_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KD14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 496 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
1M53.8Low52.9Low243 Ų243153.4 Ų153.4100%1.19782%0.815SS**  0106.60-171.4166.774.800107.1
2I54.7Low53Low151 Ų151151.4 Ų151.477%0.77481%0.813SS**  trans-139131.4-174.7-57177.4000106.5
3P60.9Low53Low112 Ų112157.8 Ų157.873%0.72782%0.819SS**  trans-75.1131.517930.2-33.3000111
4Y45.9Very low53.4Low228 Ų228155.7 Ų155.789%0.89482%0.816SS**  trans-75.4131.6163-87.8-101.9000109.2
5T56.3Low53.8Low121 Ų121151.9 Ų151.974%0.74280%0.804SS**  trans-110.395.3172.741.60000110.1S7T5-S7 VanDerWaalsContact C-N 3.3Å; T5-S7 PolarHBondContact O-N 2.68Å
6E47.8Very low54.2Low174 Ų174150.2 Ų150.281%0.81381%0.805SS**  trans-70.485174.7-66.3-170.6145.800110.8C8E6-C8 PolarHBondContact O-N 3.25Å
7S50.9Low54.4Low117 Ų117151.1 Ų151.182%0.81881%0.807SS**  trans-76.266.1170.546.80000110.7T5 G9T5-S7 VanDerWaalsContact C-N 3.3Å; T5-S7 PolarHBondContact O-N 2.68Å; S7-G9 VanDerWaalsContact C-N 3.32Å; S7-G9 PolarHBondContact O-N 3.13Å
8C52.3Low54.2Low104 Ų104147.1 Ų147.170%0.70380%0.799SS**  trans-61.990.9173.1-75.30000110.3E6 N10E6-C8 PolarHBondContact O-N 3.25Å; C8-N10 PolarHBondContact O-N 3.45Å
9G54.5Low53.7Low56 Ų56146.3 Ų146.358%0.57779%0.794SS**  trans-59.3110.5178.900000111S7 Y11S7-G9 VanDerWaalsContact C-N 3.32Å; S7-G9 PolarHBondContact O-N 3.13Å; G9-Y11 VanDerWaalsContact O-CD2 3.28Å; G9-Y11 WeakPolarHBondContact O-CD2 3.11Å; G9-Y11 PolarHBondContact O-N 3.13Å
10N50.9Low53.6Low157 Ų157146.4 Ų146.484%0.8479%0.792SS**  trans-63.498.6172.4-85.6-46.3000109.3C8 T12C8-N10 PolarHBondContact O-N 3.45Å; N10-T12 VanDerWaalsContact C-N 3.28Å; N10-T12 PolarHBondContact O-N 3.24Å
11Y53.4Low53.2Low224 Ų224147 Ų14788%0.87879%0.79SS**  trans-6690169.5-75.7-86.3000109G9 R13G9-Y11 VanDerWaalsContact O-CD2 3.28Å; G9-Y11 WeakPolarHBondContact O-CD2 3.11Å; G9-Y11 PolarHBondContact O-N 3.13Å; Y11-R13 PolarHBondContact O-N 3.1Å
12T54.1Low53Low130 Ų130139.6 Ų139.680%0.79876%0.762SS**  trans-55.4105.2176.4-50.70000108.9N10 V14N10-T12 VanDerWaalsContact C-N 3.28Å; N10-T12 PolarHBondContact O-N 3.24Å; T12-V14 PolarHBondContact O-N 2.9Å
13R53.2Low52.6Low235 Ų235137.9 Ų137.989%0.88776%0.763SS**  trans-59.1103.5-173-168-170.6-143.5-171.58.4109.2Y11 P15Y11-R13 PolarHBondContact O-N 3.1Å; R13-P15 WeakPolarHBondContact O-CD 3.19Å; R13-P15 VanDerWaalsContact O-N 3.07Å
14V59.1Low52.2Low128 Ų128142.1 Ų142.178%0.77677%0.766SS**PPolyproline II helixtrans-52.9118.6177.9178.70000107.8T12T12-V14 PolarHBondContact O-N 2.9Å
15P59.5Low52Low98 Ų98138.5 Ų138.564%0.63676%0.757SS**PPolyproline II helixtrans-65144.4-17625.8-33.4000109.5R13 I17R13-P15 WeakPolarHBondContact O-CD 3.19Å; R13-P15 VanDerWaalsContact O-N 3.07Å; P15-I17 PolarHBondContact O-N 2.91Å
16P60Low52Low125 Ų125140.1 Ų140.181%0.81276%0.759SS**PPolyproline II helixtrans-59.5128.6173.626.7-33.5000108.6A18P16-A18 VanDerWaalsContact C-N 3.32Å; P16-A18 PolarHBondContact O-N 3.41Å
17I56.9Low51.7Low165 Ų165138.5 Ų138.585%0.84675%0.752SS**  trans-66.395.3178.5-59.3173.5000107.8P15 N19P15-I17 PolarHBondContact O-N 2.91Å; I17-N19 PolarHBondContact O-N 2.97Å
18A50.8Low51.6Low80 Ų80142.4 Ų142.466%0.66176%0.757SS**  trans-61.3134.2171.900000108.6P16 I20P16-A18 VanDerWaalsContact C-N 3.32Å; P16-A18 PolarHBondContact O-N 3.41Å; A18-I20 PolarHBondContact O-N 2.54Å
19N45.2Very low51.3Low131 Ų131143.7 Ų143.770%0.70176%0.756SS**  trans-65.498.5-173.1-176.544.5000110.8I17 H21I17-N19 PolarHBondContact O-N 2.97Å; N19-H21 PolarHBondContact ND2-CD2 2.96Å; N19-H21 VanDerWaalsContact ND2-CD2 3.26Å; N19-H21 PolarHBondContact ND2-NE2 3.17Å; N19-H21 PolarHBondContact O-N 3.46Å
20I51.5Low51.1Low149 Ų149148.3 Ų148.376%0.76477%0.767SS**  trans-67.9100.5178.7-51.6178.8000108.3A18 S22A18-I20 PolarHBondContact O-N 2.54Å; I20-S22 PolarHBondContact O-N 3.31Å
21H46.5Very low51.1Low160 Ų160145.4 Ų145.474%0.74176%0.759SS**  trans-64.996.8167.8-89.5-142.5000108.9N19 S23N19-H21 PolarHBondContact ND2-CD2 2.96Å; N19-H21 VanDerWaalsContact ND2-CD2 3.26Å; N19-H21 PolarHBondContact ND2-NE2 3.17Å; N19-H21 PolarHBondContact O-N 3.46Å; H21-S23 PolarHBondContact O-N 3.38Å; H21-S23 VanDerWaalsContact O-N 3.13Å
22S48.8Very low50.8Low87 Ų87142.7 Ų142.761%0.60876%0.76SS**  trans-64110.5166.7-173.70000108.4I20 Y24I20-S22 PolarHBondContact O-N 3.31Å; S22-Y24 PolarHBondContact O-N 2.89Å; S22-Y24 WeakPolarHBondContact OG-CD2 3.49Å; S22-Y24 WeakPolarHBondContact OG-CE2 3.41Å
23S46.7Very low50.5Low114 Ų114140 Ų14080%0.79776%0.758SS**  trans-79.786-174.1-170.40000111H21H21-S23 PolarHBondContact O-N 3.38Å; H21-S23 VanDerWaalsContact O-N 3.13Å
24Y52.6Low50.5Low202 Ų202135.1 Ų135.179%0.79276%0.76SS**  trans-100104.7163.5-77.4-75.9000109.7S22 I26S22-Y24 PolarHBondContact O-N 2.89Å; S22-Y24 WeakPolarHBondContact OG-CD2 3.49Å; S22-Y24 WeakPolarHBondContact OG-CE2 3.41Å; Y24-I26 PolarHBondContact O-N 2.97Å; Y24-I26 VanDerWaalsContact O-N 3.1Å
25H41.5Very low49.8Very low152 Ų152134 Ų13470%0.70476%0.758SS**  trans-73.595.4-178.1176.452.1000110.7
26I54.9Low49.4Very low155 Ų155134.2 Ų134.280%0.79576%0.761SS**  trans-104.5123.2161.8-60.9-179.3000107.3Y24 Q28Y24-I26 PolarHBondContact O-N 2.97Å; Y24-I26 VanDerWaalsContact O-N 3.1Å; I26-Q28 PolarHBondContact O-N 2.71Å
27Q42Very low48.9Very low140 Ų140135 Ų13565%0.65476%0.764SS**  trans-71.4127-179.9-66.3175-2.200110
28Q48.8Very low48.3Very low199 Ų199133.6 Ų133.693%0.9377%0.767SS**  trans-124.6130.8163.3-129.8176.27.300108.6I26I26-Q28 PolarHBondContact O-N 2.71Å
29I46.9Very low48.3Very low131 Ų131134.4 Ų134.467%0.67277%0.774SS**  trans-107.1134.2-160.5-65.5166.9000109.2
30N49.1Very low48.5Very low152 Ų152132.8 Ų132.881%0.81377%0.773SS**  trans69.2143.1174.5-61.1-17.6000116.1
31S51.3Low48.7Very low96 Ų96132.5 Ų132.567%0.67177%0.773SS**  cis-162.8148.4-6.340.30000112.5
32N47.3Very low49Very low168 Ų168132.2 Ų132.290%0.89877%0.772SS**  trans32.5125.6147.8-53.8-5.8000120.1
33G48.4Very low49.3Very low73 Ų73135.4 Ų135.475%0.75378%0.782SS**  trans-173.528.6175.600000121.3
34S52.4Low49.8Very low133 Ų133136.1 Ų136.193%0.9378%0.782SS**  trans65.2152.3165.5-58.80000119.5
35S44Very low50.1Low105 Ų105134.4 Ų134.473%0.73479%0.785SS**  trans-116.4172.3-172.156.20000113.4
36S52.4Low50.9Low101 Ų101132.2 Ų132.271%0.70679%0.785SS**  trans57.3117.7160.154.80000117.4
37T49.4Very low51Low141 Ų141129.7 Ų129.787%0.86578%0.781SS**  -159.5153.783.719.10000112.3
38C42.7Very low51.9Low137 Ų137134.3 Ų134.393%0.92679%0.793SS**  trans-90.8128.4173.3-61.20000110.2
39A50.9Low52.4Low97 Ų97135.9 Ų135.980%0.80279%0.79SS**  trans-140131163.700000109.6
40S51.2Low52.9Low97 Ų97132.1 Ų132.168%0.67878%0.784SS**  trans-59.3142.4161.71700000109.2
41N55.4Low53.8Low142 Ų142137 Ų13776%0.75979%0.791SS**  -170143.9118-87.5-12.6000113.8
42E51.7Low54.7Low155 Ų155143.2 Ų143.272%0.72480%0.8SS**  trans-36.8161.2-179.8-55.1175.9152.800119.1T44E42-T44 PolarHBondContact O-N 3.45Å
43N56.4Low56Low153 Ų153138.1 Ų138.182%0.81878%0.777SS**  trans66.419.8152.3-62.4-30000120.1I45N43-I45 PolarHBondContact O-N 2.77Å
44T56.4Low57.7Low129 Ų129142.5 Ų142.579%0.79178%0.783SS**  trans-79.4106.8157.945.60000110.9E42 C46E42-T44 PolarHBondContact O-N 3.45Å; T44-C46 PolarHBondContact O-N 3.38Å
45I59.1Low59.3Low166 Ų166139.3 Ų139.385%0.85176%0.758SS**  trans-56.6109.9173.9-60.4172.5000108.2N43 S47N43-I45 PolarHBondContact O-N 2.77Å; I45-S47 PolarHBondContact O-N 3.28Å
46C57.3Low61.6Low107 Ų107137.5 Ų137.572%0.72374%0.743SS**  trans-64.598.8-171.4-1450000109.9T44 R48T44-C46 PolarHBondContact O-N 3.38Å; C46-R48 VanDerWaalsContact C-N 3.27Å; C46-R48 PolarHBondContact O-N 3.32Å
47S57.7Low63.3Low101 Ų101137.6 Ų137.671%0.70674%0.742SS**  trans-70.583.5-175.2-170.70000109.8I45 R49I45-S47 PolarHBondContact O-N 3.28Å; S47-R49 PolarHBondContact O-N 3.41Å
48R60.2Low65.5Low238 Ų238137.4 Ų137.490%0.89873%0.731SS**  trans-7040.2176.1-65.8-175.2178.3-165.50.6111.8C46 G50C46-R48 VanDerWaalsContact C-N 3.27Å; C46-R48 PolarHBondContact O-N 3.32Å; R48-G50 PolarHBondContact O-N 3.36Å
49R60.2Low67.9Low232 Ų232135 Ų13588%0.87571%0.708SS**  trans-77.759.8-173.8-160.6-179.4-166.6-165.34.8111.9S47S47-R49 PolarHBondContact O-N 3.41Å
50G57.3Low69.9Low52 Ų52136.2 Ų136.254%0.53669%0.692SS.*  trans58.4109.9166.100000115.6R48 R52R48-G50 PolarHBondContact O-N 3.36Å; G50-R52 VanDerWaalsContact C-N 3.3Å; G50-R52 PolarHBondContact O-N 2.83Å
51R67.6Low72Confident255 Ų255134.3 Ų134.396%0.96267%0.672SS**  trans-53.1103.6147.5-86-173.3166.2-158.8-3.9106.9S53R51-S53 PolarHBondContact O-N 3.05Å
52R69.7Low73.9Confident226 Ų226132.4 Ų132.485%0.85366%0.659SS**  trans-56127.6174.1-66.9-176.4176.2-152.2-0.1106.4G50 N54G50-R52 VanDerWaalsContact C-N 3.3Å; G50-R52 PolarHBondContact O-N 2.83Å; R52-N54 PolarHBondContact O-N 2.86Å; R52-N54 PolarHBondContact O-OD1 3.12Å
53S75.4Confident76.1Confident61 Ų61128 Ų12843%0.42764%0.642SS.*  trans-67.6122.2-178.850.90000109.3R51 V55 R60R51-S53 PolarHBondContact O-N 3.05Å; S53-V55 PolarHBondContact O-N 3.4Å; S53-R60 PolarHBondContact O-NH2 2.9Å; S53-R60 PolarHBondContact OG-NH2 3.05Å
54N84.6Confident77.9Confident165 Ų165127.8 Ų127.888%0.88263%0.63SS**  trans-64.7-1.5174.9-66.82.5000112.7R52 P56R52-N54 PolarHBondContact O-N 2.86Å; R52-N54 PolarHBondContact O-OD1 3.12Å; N54-P56 WeakPolarHBondContact O-CD 3.44Å
55V86.1Confident79.9Confident65 Ų65129 Ų12939%0.39462%0.62SS.*SBendtrans-60.6118.9168.9-1790000109S53 I59 R60S53-V55 PolarHBondContact O-N 3.4Å; V55-I59 HydrophobicContact CG1-CB 3.87Å; V55-I59 HydrophobicContact CG1-CG2 3.74Å; V55-R60 HydrophobicContact CG1-CB 4.35Å; V55-R60 PolarHBondContact O-NH2 3.19Å
56P91.8Very high81.7Confident67 Ų67126.5 Ų126.544%0.43561%0.608SS.*  trans-50146.2177.3-29.935.9000112.9N54 E58 I59 R60N54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-E58 PolarHBondContact O-N 2.78Å; P56-E58 VanDerWaalsContact O-N 3.14Å; P56-I59 HydrophobicContact CB-CG1 4.42Å; P56-I59 HydrophobicContact CG-CD1 4.18Å; P56-I59 PolarHBondContact O-N 2.91Å; P56-R60 PolarHBondContact O-N 3.14Å
57P88.2Confident83.6Confident103 Ų103128.3 Ų128.367%0.66960%0.604SS**Hα-helixtrans-54.1-35.9-178.5-27.335.5000113.5R60 E61P57-R60 WeakPolarHBondContact O-CB 3.27Å; P57-R60 PolarHBondContact O-N 3.24Å; P57-E61 PolarHBondContact O-N 3.35Å
58E94.7Very high85.5Confident138 Ų138129.6 Ų129.665%0.64560%0.596SS**Hα-helixtrans-66.1-52177.9-173.4175.3172.900112.6P56 R60 E61 Q62P56-E58 PolarHBondContact O-N 2.78Å; P56-E58 VanDerWaalsContact O-N 3.14Å; E58-R60 PolarHBondContact O-N 3.43Å; E58-E61 CarbonylContact O-C 3.59Å; E58-E61 PolarHBondContact O-N 2.92Å; E58-Q62 HydrophobicContact CG-CG 4.34Å; E58-Q62 WeakPolarHBondContact O-CG 3.4Å; E58-Q62 PolarHBondContact O-N 2.99Å; E58-Q62 PolarHBondContact OE1-NE2 2.83Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.15Å
59I94.6Very high87.3Confident85 Ų85123.5 Ų123.544%0.43658%0.578SS.*Hα-helixtrans-58.6-35176.8-61.2-177000110.6V55 P56 T63V55-I59 HydrophobicContact CG1-CB 3.87Å; V55-I59 HydrophobicContact CG1-CG2 3.74Å; P56-I59 HydrophobicContact CB-CG1 4.42Å; P56-I59 HydrophobicContact CG-CD1 4.18Å; P56-I59 PolarHBondContact O-N 2.91Å; I59-T63 VanDerWaalsContact O-CB 3.28Å; I59-T63 WeakPolarHBondContact O-CB 3.44Å; I59-T63 PolarHBondContact O-N 2.92Å; I59-T63 PolarHBondContact O-OG1 3.36Å
60R92.4Very high89.1Confident124 Ų124116 Ų11647%0.46856%0.556SS.*Hα-helixtrans-64.8-42.6174.8-166.1-174.9-55.5169.15112.4S53 V55 P56 P57 E58 R64S53-R60 PolarHBondContact O-NH2 2.9Å; S53-R60 PolarHBondContact OG-NH2 3.05Å; V55-R60 HydrophobicContact CG1-CB 4.35Å; V55-R60 PolarHBondContact O-NH2 3.19Å; P56-R60 PolarHBondContact O-N 3.14Å; P57-R60 WeakPolarHBondContact O-CB 3.27Å; P57-R60 PolarHBondContact O-N 3.24Å; E58-R60 PolarHBondContact O-N 3.43Å; R60-R64 WeakPolarHBondContact O-CB 3.36Å; R60-R64 PolarHBondContact O-N 3.15Å
61E94.6Very high91Very high56 Ų56119.3 Ų119.326%0.26256%0.559SS.*Hα-helixtrans-74.3-38.9177.417359.1-170.800112.3P57 E58 T63 R64 R65P57-E61 PolarHBondContact O-N 3.35Å; E58-E61 CarbonylContact O-C 3.59Å; E58-E61 PolarHBondContact O-N 2.92Å; E61-T63 VanDerWaalsContact C-N 3.32Å; E61-T63 PolarHBondContact O-N 3.37Å; E61-R64 WeakPolarHBondContact O-CB 3.48Å; E61-R64 PolarHBondContact O-N 3.34Å; E61-R64 VanDerWaalsContact O-N 3.16Å; E61-R64 IonicContact OE1-NH1 2.74Å; E61-R64 WeakPolarHBondContact OE2-CD 3.47Å; E61-R64 IonicContact OE2-CZ 2.96Å; E61-R64 IonicContact OE2-NH1 3.28Å; E61-R64 PolarHBondContact OE2-NH1 3.37Å; E61-R65 VanDerWaalsContact O-CG 3.31Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.05Å; E61-R65 IonicContact OE1-CZ 2.75Å; E61-R65 IonicContact OE1-NE 3.88Å; E61-R65 PolarHBondContact OE1-NE 2.89Å; E61-R65 IonicContact OE1-NH2 2.88Å; E61-R65 PolarHBondContact OE1-NH2 2.89Å; E61-R65 VanDerWaalsContact OE1-NH2 3.1Å
62Q96.7Very high92.5Very high102 Ų102109.9 Ų109.948%0.47753%0.525SS..Hα-helixtrans-57.1-46.3169.6-69177.44.800110.6E58 R64 R65 L66E58-Q62 HydrophobicContact CG-CG 4.34Å; E58-Q62 WeakPolarHBondContact O-CG 3.4Å; E58-Q62 PolarHBondContact O-N 2.99Å; E58-Q62 PolarHBondContact OE1-NE2 2.83Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.15Å; Q62-R64 VanDerWaalsContact C-N 3.35Å; Q62-R64 PolarHBondContact O-N 2.75Å; Q62-R65 PolarHBondContact O-N 3.16Å; Q62-L66 WeakPolarHBondContact O-CB 3.33Å; Q62-L66 PolarHBondContact O-N 3.22Å
63T96.3Very high93.9Very high62 Ų62107.6 Ų107.638%0.3852%0.517SS..Hα-helixtrans-60.6-41.2174.5-59.30000112I59 E61 L66 K67I59-T63 VanDerWaalsContact O-CB 3.28Å; I59-T63 WeakPolarHBondContact O-CB 3.44Å; I59-T63 PolarHBondContact O-N 2.92Å; I59-T63 PolarHBondContact O-OG1 3.36Å; E61-T63 VanDerWaalsContact C-N 3.32Å; E61-T63 PolarHBondContact O-N 3.37Å; T63-L66 PolarHBondContact O-N 3.42Å; T63-K67 HydrophobicContact CG2-CD 4.29Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 WeakPolarHBondContact O-CG 3.47Å; T63-K67 PolarHBondContact O-N 2.99Å
64R95.5Very high94.9Very high150 Ų150112.5 Ų112.557%0.56653%0.526SS*.Hα-helixtrans-64.2-44.3176.5176.7171169-109.35.9111.8R60 E61 Q62 K67 K68R60-R64 WeakPolarHBondContact O-CB 3.36Å; R60-R64 PolarHBondContact O-N 3.15Å; E61-R64 WeakPolarHBondContact O-CB 3.48Å; E61-R64 PolarHBondContact O-N 3.34Å; E61-R64 VanDerWaalsContact O-N 3.16Å; E61-R64 IonicContact OE1-NH1 2.74Å; E61-R64 WeakPolarHBondContact OE2-CD 3.47Å; E61-R64 IonicContact OE2-CZ 2.96Å; E61-R64 IonicContact OE2-NH1 3.28Å; E61-R64 PolarHBondContact OE2-NH1 3.37Å; Q62-R64 VanDerWaalsContact C-N 3.35Å; Q62-R64 PolarHBondContact O-N 2.75Å; R64-K67 PolarHBondContact O-N 2.98Å; R64-K68 WeakPolarHBondContact O-CB 3.49Å; R64-K68 PolarHBondContact O-N 3.02Å
65R96.9Very high95.6Very high154 Ų154111.2 Ų111.258%0.58151%0.509SS*.Hα-helixtrans-60.2-47.6174.6-70171.2-172-1775.7111.4E61 Q62 K68 Q69E61-R65 VanDerWaalsContact O-CG 3.31Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.05Å; E61-R65 IonicContact OE1-CZ 2.75Å; E61-R65 IonicContact OE1-NE 3.88Å; E61-R65 PolarHBondContact OE1-NE 2.89Å; E61-R65 IonicContact OE1-NH2 2.88Å; E61-R65 PolarHBondContact OE1-NH2 2.89Å; E61-R65 VanDerWaalsContact OE1-NH2 3.1Å; Q62-R65 PolarHBondContact O-N 3.16Å; R65-K68 PolarHBondContact O-N 3.34Å; R65-Q69 WeakPolarHBondContact O-CG 3.37Å; R65-Q69 PolarHBondContact O-N 3.01Å
66L97.7Very high96.1Very high113 Ų113115.8 Ų115.859%0.59252%0.519SS*.Hα-helixtrans-63.5-42.9178.4-176.960.7000112.1Q62 T63 Q69 N70Q62-L66 WeakPolarHBondContact O-CB 3.33Å; Q62-L66 PolarHBondContact O-N 3.22Å; T63-L66 PolarHBondContact O-N 3.42Å; L66-Q69 PolarHBondContact O-N 3.4Å; L66-N70 WeakPolarHBondContact O-CB 3.26Å; L66-N70 PolarHBondContact O-N 3.43Å
67K97.7Very high96.4Very high145 Ų145114.9 Ų114.963%0.6352%0.517SS*.Hα-helixtrans-60.4-44.6173.4-78-178.4176.4-174.30111.9T63 R64 Q69 N70 M71T63-K67 HydrophobicContact CG2-CD 4.29Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 WeakPolarHBondContact O-CG 3.47Å; T63-K67 PolarHBondContact O-N 2.99Å; R64-K67 PolarHBondContact O-N 2.98Å; K67-Q69 PolarHBondContact O-N 3.33Å; K67-N70 PolarHBondContact O-N 3.39Å; K67-M71 WeakPolarHBondContact O-CG 3.18Å; K67-M71 PolarHBondContact O-N 3.41Å
68K97.4Very high96.9Very high128 Ų128112.7 Ų112.756%0.55750%0.504SS*.Hα-helixtrans-60.9-43.2176.8-172.9169.9-177.2170.30112.1R64 R65 E72R64-K68 WeakPolarHBondContact O-CB 3.49Å; R64-K68 PolarHBondContact O-N 3.02Å; R65-K68 PolarHBondContact O-N 3.34Å; K68-E72 PolarHBondContact O-N 2.88Å; K68-E72 VanDerWaalsContact O-N 3.1Å
69Q98Very high96.9Very high110 Ų110110.5 Ų110.551%0.51450%0.495SS..Hα-helixtrans-64.1-41.4173.8-71.4-175.72.800112.6R65 L66 K67 E72 R73R65-Q69 WeakPolarHBondContact O-CG 3.37Å; R65-Q69 PolarHBondContact O-N 3.01Å; L66-Q69 PolarHBondContact O-N 3.4Å; K67-Q69 PolarHBondContact O-N 3.33Å; Q69-E72 PolarHBondContact O-N 2.86Å; Q69-R73 WeakPolarHBondContact O-CG 3.47Å; Q69-R73 PolarHBondContact O-N 3.33Å
70N98.3Very high96.9Very high75 Ų75107.5 Ų107.540%0.40148%0.482SS..Hα-helixtrans-63.3-44.3178.4-163.1-59.8000111.4L66 K67 E72 R73 R74L66-N70 WeakPolarHBondContact O-CB 3.26Å; L66-N70 PolarHBondContact O-N 3.43Å; K67-N70 PolarHBondContact O-N 3.39Å; N70-E72 PolarHBondContact O-N 3.43Å; N70-R73 PolarHBondContact O-N 2.97Å; N70-R74 WeakPolarHBondContact O-CG 3.34Å; N70-R74 PolarHBondContact O-N 3.06Å; N70-R74 PolarHBondContact OD1-NE 2.79Å
71M97.7Very high97Very high122 Ų122106.4 Ų106.460%0.60149%0.485SS*.Hα-helixtrans-61.3-41.9175.3-70.8-59.2-65.800112.6K67 R74 R75K67-M71 WeakPolarHBondContact O-CG 3.18Å; K67-M71 PolarHBondContact O-N 3.41Å; M71-R74 PolarHBondContact O-N 3.38Å; M71-R75 PolarHBondContact O-N 3.26Å
72E98.1Very high97Very high57 Ų57110.7 Ų110.727%0.26650%0.503SS..Hα-helixtrans-66.5-38.2175.5174.560.9-177.400112.4K68 Q69 N70 R75 R76K68-E72 PolarHBondContact O-N 2.88Å; K68-E72 VanDerWaalsContact O-N 3.1Å; Q69-E72 PolarHBondContact O-N 2.86Å; N70-E72 PolarHBondContact O-N 3.43Å; E72-R75 VanDerWaalsContact CD-NH2 3.32Å; E72-R75 PolarHBondContact O-N 3.08Å; E72-R75 IonicContact OE1-CZ 3.37Å; E72-R75 IonicContact OE1-NH2 3.07Å; E72-R75 PolarHBondContact OE1-NH2 3.46Å; E72-R75 IonicContact OE2-CZ 3.1Å; E72-R75 VanDerWaalsContact OE2-CZ 3.28Å; E72-R75 IonicContact OE2-NE 2.76Å; E72-R75 PolarHBondContact OE2-NE 3.07Å; E72-R75 IonicContact OE2-NH2 2.89Å; E72-R75 PolarHBondContact OE2-NH2 3.34Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 3.08Å; E72-R76 IonicContact OE1-CZ 2.54Å; E72-R76 VanDerWaalsContact OE1-CZ 3.27Å; E72-R76 IonicContact OE1-NE 3.27Å; E72-R76 PolarHBondContact OE1-NE 3.48Å; E72-R76 IonicContact OE1-NH2 3.4Å; E72-R76 PolarHBondContact OE1-NH2 3.36Å
73R98.2Very high96.9Very high178 Ų178106.9 Ų106.967%0.67249%0.486SS*.Hα-helixtrans-60.5-45.6172.6-71.4177.3-170.3-171.74.3111.4Q69 N70 R75 R76 A77Q69-R73 WeakPolarHBondContact O-CG 3.47Å; Q69-R73 PolarHBondContact O-N 3.33Å; N70-R73 PolarHBondContact O-N 2.97Å; R73-R75 PolarHBondContact O-N 3.07Å; R73-R76 PolarHBondContact O-N 3.39Å; R73-A77 PolarHBondContact O-N 3.31Å
74R98.3Very high96.7Very high164 Ų164107.4 Ų107.462%0.61949%0.486SS*.Hα-helixtrans-60.5-42.4175.1-68.5174-172.6-136.2-4.9112.2N70 M71 A77 C78N70-R74 WeakPolarHBondContact O-CG 3.34Å; N70-R74 PolarHBondContact O-N 3.06Å; N70-R74 PolarHBondContact OD1-NE 2.79Å; M71-R74 PolarHBondContact O-N 3.38Å; R74-A77 PolarHBondContact O-N 2.83Å; R74-C78 WeakPolarHBondContact O-CB 3.29Å; R74-C78 PolarHBondContact O-N 2.94Å
75R98.5Very high96.7Very high138 Ų138103.2 Ų103.252%0.52148%0.483SS..Hα-helixtrans-61.2-43.7176.4-167.2-176.36995.34.5111.5M71 E72 R73 C78 I79M71-R75 PolarHBondContact O-N 3.26Å; E72-R75 VanDerWaalsContact CD-NH2 3.32Å; E72-R75 PolarHBondContact O-N 3.08Å; E72-R75 IonicContact OE1-CZ 3.37Å; E72-R75 IonicContact OE1-NH2 3.07Å; E72-R75 PolarHBondContact OE1-NH2 3.46Å; E72-R75 IonicContact OE2-CZ 3.1Å; E72-R75 VanDerWaalsContact OE2-CZ 3.28Å; E72-R75 IonicContact OE2-NE 2.76Å; E72-R75 PolarHBondContact OE2-NE 3.07Å; E72-R75 IonicContact OE2-NH2 2.89Å; E72-R75 PolarHBondContact OE2-NH2 3.34Å; R73-R75 PolarHBondContact O-N 3.07Å; R75-C78 PolarHBondContact O-N 3.08Å; R75-I79 HydrophobicContact CG-CD1 4.09Å; R75-I79 WeakPolarHBondContact O-CD1 3.4Å; R75-I79 VanDerWaalsContact O-CG1 3.28Å; R75-I79 WeakPolarHBondContact O-CG1 3.39Å; R75-I79 PolarHBondContact O-N 3.29Å
76R97.3Very high96.6Very high161 Ų16199 Ų9961%0.60847%0.472SS*.Hα-helixtrans-65.7-40.3177.8-71.6177.7-171.4-153.4-1.2113.3E72 R73 I79 S80E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 3.08Å; E72-R76 IonicContact OE1-CZ 2.54Å; E72-R76 VanDerWaalsContact OE1-CZ 3.27Å; E72-R76 IonicContact OE1-NE 3.27Å; E72-R76 PolarHBondContact OE1-NE 3.48Å; E72-R76 IonicContact OE1-NH2 3.4Å; E72-R76 PolarHBondContact OE1-NH2 3.36Å; R73-R76 PolarHBondContact O-N 3.39Å; R76-I79 PolarHBondContact O-N 3.32Å; R76-S80 PolarHBondContact O-N 3.14Å; R76-S80 VanDerWaalsContact O-N 3.11Å
77A97.3Very high96.4Very high48 Ų4894.1 Ų94.140%0.39745%0.446SS..Hα-helixtrans-58.1-57.9172.700000110.2R73 R74 I79 S80 D81R73-A77 PolarHBondContact O-N 3.31Å; R74-A77 PolarHBondContact O-N 2.83Å; A77-I79 PolarHBondContact O-N 3.48Å; A77-I79 VanDerWaalsContact O-N 3.1Å; A77-S80 CarbonylContact O-C 3.56Å; A77-S80 WeakPolarHBondContact O-CA 3.17Å; A77-S80 WeakPolarHBondContact O-CB 3.49Å; A77-S80 PolarHBondContact O-N 2.79Å; A77-D81 VanDerWaalsContact C-OD2 3.23Å; A77-D81 PolarHBondContact O-N 3.02Å; A77-D81 VanDerWaalsContact O-OD2 3.11Å
78C98Very high96.2Very high57 Ų5790.3 Ų90.339%0.38543%0.433SS..Hα-helixtrans-56.1-33.2-179.4-174.40000114.2R74 R75 D81 K82R74-C78 WeakPolarHBondContact O-CB 3.29Å; R74-C78 PolarHBondContact O-N 2.94Å; R75-C78 PolarHBondContact O-N 3.08Å; C78-D81 WeakPolarHBondContact CA-OD2 3.44Å; C78-D81 PolarHBondContact N-OD2 3.47Å; C78-K82 VanDerWaalsContact O-CG 3.32Å; C78-K82 WeakPolarHBondContact O-CG 3.39Å; C78-K82 PolarHBondContact O-N 3.31Å
79I96.1Very high96.1Very high91 Ų9188.7 Ų88.747%0.46743%0.43SS..Hα-helixtrans-67.8-44.5172.5-70.8164.8000111R75 R76 A77 K82 M83R75-I79 HydrophobicContact CG-CD1 4.09Å; R75-I79 WeakPolarHBondContact O-CD1 3.4Å; R75-I79 VanDerWaalsContact O-CG1 3.28Å; R75-I79 WeakPolarHBondContact O-CG1 3.39Å; R75-I79 PolarHBondContact O-N 3.29Å; R76-I79 PolarHBondContact O-N 3.32Å; A77-I79 PolarHBondContact O-N 3.48Å; A77-I79 VanDerWaalsContact O-N 3.1Å; I79-K82 PolarHBondContact O-N 3.15Å; I79-M83 WeakPolarHBondContact O-CB 3.26Å; I79-M83 PolarHBondContact O-N 2.93Å
80S93.2Very high96Very high23 Ų2383.4 Ų83.416%0.16141%0.405CS..Hα-helixtrans-66.8-38.9177.6-153.50000112.2R76 A77 K82 M83 N84 K106R76-S80 PolarHBondContact O-N 3.14Å; R76-S80 VanDerWaalsContact O-N 3.11Å; A77-S80 CarbonylContact O-C 3.56Å; A77-S80 WeakPolarHBondContact O-CA 3.17Å; A77-S80 WeakPolarHBondContact O-CB 3.49Å; A77-S80 PolarHBondContact O-N 2.79Å; S80-K82 VanDerWaalsContact C-N 3.33Å; S80-K82 PolarHBondContact O-N 2.91Å; S80-M83 PolarHBondContact O-N 3.21Å; S80-N84 WeakPolarHBondContact O-CB 3.41Å; S80-N84 VanDerWaalsContact O-CG 3.27Å; S80-N84 PolarHBondContact O-N 3.03Å; S80-N84 PolarHBondContact O-OD1 2.97Å; S80-K106 PolarHBondContact OG-NZ 2.97Å
81D95.2Very high95.7Very high101 Ų10179.9 Ų79.954%0.5439%0.386SS..Hα-helixtrans-61.2-44.2177.6-52.3-33.1000110.5A77 C78 N84 A85A77-D81 VanDerWaalsContact C-OD2 3.23Å; A77-D81 PolarHBondContact O-N 3.02Å; A77-D81 VanDerWaalsContact O-OD2 3.11Å; C78-D81 WeakPolarHBondContact CA-OD2 3.44Å; C78-D81 PolarHBondContact N-OD2 3.47Å; D81-N84 PolarHBondContact O-N 3.36Å; D81-A85 WeakPolarHBondContact O-CB 3.44Å; D81-A85 PolarHBondContact O-N 2.85Å
82K95.8Very high95.6Very high146 Ų14679.4 Ų79.464%0.63539%0.386SS*.Hα-helixtrans-67.7-37.9176.2-73.7179.4178.9-171.60113.2C78 I79 S80 A85 L86C78-K82 VanDerWaalsContact O-CG 3.32Å; C78-K82 WeakPolarHBondContact O-CG 3.39Å; C78-K82 PolarHBondContact O-N 3.31Å; I79-K82 PolarHBondContact O-N 3.15Å; S80-K82 VanDerWaalsContact C-N 3.33Å; S80-K82 PolarHBondContact O-N 2.91Å; K82-A85 PolarHBondContact O-N 3.33Å; K82-L86 WeakPolarHBondContact O-CB 2.98Å; K82-L86 PolarHBondContact O-N 3.09Å
83M93.8Very high95.4Very high22 Ų2281.1 Ų81.111%0.10840%0.396CS..Hα-helixtrans-63.8-44.6175.7-172.1-165.277.400111I79 S80 L86 H87 K106 I109 L110I79-M83 WeakPolarHBondContact O-CB 3.26Å; I79-M83 PolarHBondContact O-N 2.93Å; S80-M83 PolarHBondContact O-N 3.21Å; M83-L86 PolarHBondContact O-N 2.89Å; M83-H87 PolarHBondContact O-N 3.14Å; M83-K106 HydrophobicContact CE-CB 4.29Å; M83-K106 HydrophobicContact CE-CD 3.86Å; M83-K106 HydrophobicContact CE-CG 3.94Å; M83-K106 HydrophobicContact SD-CB 4.02Å; M83-K106 HydrophobicContact SD-CD 4.07Å; M83-K106 HydrophobicContact SD-CG 4.25Å; M83-I109 HydrophobicContact CE-CD1 3.75Å; M83-I109 HydrophobicContact CE-CG2 4.22Å; M83-I109 HydrophobicContact CG-CG2 3.85Å; M83-I109 HydrophobicContact SD-CG2 4.35Å; M83-L110 HydrophobicContact CG-CD2 4.1Å; M83-L110 HydrophobicContact CG-CG 4.48Å
84N92.4Very high95.2Very high72 Ų7276.7 Ų76.739%0.38539%0.385SS..Hα-helixtrans-68.1-36.6176.5-6712.6000112S80 D81 L86 H87 N88S80-N84 WeakPolarHBondContact O-CB 3.41Å; S80-N84 VanDerWaalsContact O-CG 3.27Å; S80-N84 PolarHBondContact O-N 3.03Å; S80-N84 PolarHBondContact O-OD1 2.97Å; D81-N84 PolarHBondContact O-N 3.36Å; N84-L86 VanDerWaalsContact C-N 3.35Å; N84-H87 WeakPolarHBondContact O-CB 3.45Å; N84-H87 PolarHBondContact O-N 3.24Å; N84-N88 VanDerWaalsContact O-CG 3.24Å; N84-N88 PolarHBondContact O-N 3.05Å; N84-N88 PolarHBondContact O-OD1 3.12Å
85A94.4Very high95Very high62 Ų6272.3 Ų72.351%0.51239%0.391SS..Hα-helixtrans-64.7-38173.500000112.4D81 K82 L89D81-A85 WeakPolarHBondContact O-CB 3.44Å; D81-A85 PolarHBondContact O-N 2.85Å; K82-A85 PolarHBondContact O-N 3.33Å; A85-L89 WeakPolarHBondContact O-CB 3.4Å; A85-L89 PolarHBondContact O-N 3.33Å; A85-L89 VanDerWaalsContact O-N 3.07Å
86L95.1Very high94.7Very high66 Ų6667.7 Ų67.735%0.34638%0.378SS..Hα-helixtrans-66.8-42.5174.6-170.169.2000111.7K82 M83 N84 L89 A90 C113 F117K82-L86 WeakPolarHBondContact O-CB 2.98Å; K82-L86 PolarHBondContact O-N 3.09Å; M83-L86 PolarHBondContact O-N 2.89Å; N84-L86 VanDerWaalsContact C-N 3.35Å; L86-L89 PolarHBondContact O-N 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.38Å; L86-C113 HydrophobicContact CD2-CB 4.13Å; L86-C113 HydrophobicContact CG-CB 4.3Å; L86-F117 HydrophobicContact CD1-CE2 3.82Å; L86-F117 HydrophobicContact CD1-CZ 3.88Å; L86-F117 HydrophobicContact CG-CE2 4.24Å
87H93.5Very high94.3Very high11 Ų1164 Ų645%0.05137%0.371CS..Hα-helixtrans-55.8-53.4173.9179.4-99.4000111.8M83 N84 L89 A90 M91 I109M83-H87 PolarHBondContact O-N 3.14Å; N84-H87 WeakPolarHBondContact O-CB 3.45Å; N84-H87 PolarHBondContact O-N 3.24Å; H87-L89 VanDerWaalsContact C-N 3.27Å; H87-L89 PolarHBondContact O-N 3.05Å; H87-A90 PolarHBondContact O-N 3.13Å; H87-A90 VanDerWaalsContact O-N 3.07Å; H87-M91 WeakPolarHBondContact O-CG 3.08Å; H87-M91 PolarHBondContact O-N 2.94Å; H87-I109 HydrophobicContact CB-CG2 3.84Å
88N93.7Very high93.8Very high65 Ų6562.3 Ų62.335%0.34836%0.356SS..Hα-helixtrans-64.7-34.4-177.8-64.32.1000111.5N84 N92 P98N84-N88 VanDerWaalsContact O-CG 3.24Å; N84-N88 PolarHBondContact O-N 3.05Å; N84-N88 PolarHBondContact O-OD1 3.12Å; N88-N92 VanDerWaalsContact O-CB 3.26Å; N88-N92 WeakPolarHBondContact O-CB 3.39Å; N88-N92 PolarHBondContact O-N 2.98Å; N88-N92 PolarHBondContact O-ND2 3.27Å; N88-N92 PolarHBondContact O-OD1 3.33Å; N88-P98 HydrophobicContact CB-CG 4.24Å
89L95.7Very high93.2Very high93 Ų9364.8 Ų64.849%0.48736%0.361SS..Hα-helixtrans-64.5-44.1171.3178.661.6000112A85 L86 H87 L93A85-L89 WeakPolarHBondContact O-CB 3.4Å; A85-L89 PolarHBondContact O-N 3.33Å; A85-L89 VanDerWaalsContact O-N 3.07Å; L86-L89 PolarHBondContact O-N 3.31Å; H87-L89 VanDerWaalsContact C-N 3.27Å; H87-L89 PolarHBondContact O-N 3.05Å; L89-L93 HydrophobicContact CD1-CD1 4.27Å; L89-L93 HydrophobicContact CD1-CG 4.36Å; L89-L93 HydrophobicContact CG-CD1 4.1Å; L89-L93 WeakPolarHBondContact O-CB 3.32Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.46Å; L89-L93 PolarHBondContact O-N 2.9Å
90A95Very high92.4Very high0 Ų067.4 Ų67.40%037%0.372CS..Hα-helixtrans-64.1-43178.800000112.2L86 H87 L93 I94 C113 V116L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.38Å; H87-A90 PolarHBondContact O-N 3.13Å; H87-A90 VanDerWaalsContact O-N 3.07Å; A90-L93 PolarHBondContact O-N 2.91Å; A90-I94 PolarHBondContact O-N 3Å; A90-C113 HydrophobicContact CB-CB 4.48Å; A90-V116 HydrophobicContact CB-CB 4.19Å; A90-V116 HydrophobicContact CB-CG1 4.16Å; A90-V116 HydrophobicContact CB-CG2 4.26Å
91M93.6Very high91.7Very high0 Ų071 Ų710%038%0.383CS..Hα-helixtrans-65.4-45.5176.2-65.6-58.392.400111.9H87 L93 I94 G95 V96 P98 Y101 L112 V116H87-M91 WeakPolarHBondContact O-CG 3.08Å; H87-M91 PolarHBondContact O-N 2.94Å; M91-L93 PolarHBondContact O-N 3.07Å; M91-I94 HydrophobicContact CE-CD1 3.7Å; M91-I94 HydrophobicContact CE-CG1 4.36Å; M91-I94 VanDerWaalsContact O-CG1 3.26Å; M91-I94 WeakPolarHBondContact O-CG1 3.44Å; M91-I94 PolarHBondContact O-N 3.4Å; M91-I94 VanDerWaalsContact O-N 3.12Å; M91-I94 HydrophobicContact SD-CD1 4.22Å; M91-G95 PolarHBondContact O-N 3Å; M91-G95 VanDerWaalsContact O-N 3.07Å; M91-V96 CarbonylContact C-O 3.44Å; M91-V96 WeakPolarHBondContact CB-O 3.41Å; M91-V96 PolarHBondContact O-N 2.96Å; M91-V96 VanDerWaalsContact O-N 3.08Å; M91-V96 HydrophobicContact SD-CB 4.42Å; M91-V96 HydrophobicContact SD-CG1 4.18Å; M91-P98 HydrophobicContact CB-CB 4.48Å; M91-P98 HydrophobicContact CB-CG 3.89Å; M91-P98 HydrophobicContact CG-CG 4.47Å; M91-Y101 HydrophobicContact SD-CD2 4.08Å; M91-Y101 HydrophobicContact SD-CE2 4.43Å; M91-Y101 HydrophobicContact SD-CG 4.35Å; M91-L112 HydrophobicContact CE-CD1 3.97Å; M91-L112 HydrophobicContact CE-CD2 3.53Å; M91-L112 HydrophobicContact CE-CG 3.55Å; M91-L112 HydrophobicContact SD-CD2 3.96Å; M91-V116 HydrophobicContact CE-CG2 4.22Å
92N94.1Very high90.4Very high112 Ų11272.9 Ų72.960%0.59939%0.388SS*.Hα-helixtrans-60.7-32.1174.5-70.6-5.2000112.8N88 I94 G95N88-N92 VanDerWaalsContact O-CB 3.26Å; N88-N92 WeakPolarHBondContact O-CB 3.39Å; N88-N92 PolarHBondContact O-N 2.98Å; N88-N92 PolarHBondContact O-ND2 3.27Å; N88-N92 PolarHBondContact O-OD1 3.33Å; N92-I94 VanDerWaalsContact C-N 3.34Å; N92-G95 PolarHBondContact O-N 3.36Å
93L94.4Very high89.4Confident93 Ų9375.7 Ų75.749%0.48740%0.4SS..Hα-helixtrans-70.4-26.6177.3-79.7166.9000113.5L89 A90 M91 V116 F117 I120L89-L93 HydrophobicContact CD1-CD1 4.27Å; L89-L93 HydrophobicContact CD1-CG 4.36Å; L89-L93 HydrophobicContact CG-CD1 4.1Å; L89-L93 WeakPolarHBondContact O-CB 3.32Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.46Å; L89-L93 PolarHBondContact O-N 2.9Å; A90-L93 PolarHBondContact O-N 2.91Å; M91-L93 PolarHBondContact O-N 3.07Å; L93-V116 HydrophobicContact CB-CG1 4.44Å; L93-F117 HydrophobicContact CD1-CE1 3.98Å; L93-I120 HydrophobicContact CB-CD1 4.4Å; L93-I120 HydrophobicContact CD1-CD1 4.1Å
94I93.6Very high88.6Confident86 Ų8676.1 Ų76.144%0.44141%0.407SS..Hα-helixtrans-99.80.4175.862.5170.9000113.6A90 M91 N92 V96 V116A90-I94 PolarHBondContact O-N 3Å; M91-I94 HydrophobicContact CE-CD1 3.7Å; M91-I94 HydrophobicContact CE-CG1 4.36Å; M91-I94 VanDerWaalsContact O-CG1 3.26Å; M91-I94 WeakPolarHBondContact O-CG1 3.44Å; M91-I94 PolarHBondContact O-N 3.4Å; M91-I94 VanDerWaalsContact O-N 3.12Å; M91-I94 HydrophobicContact SD-CD1 4.22Å; N92-I94 VanDerWaalsContact C-N 3.34Å; I94-V96 HydrophobicContact CD1-CB 3.99Å; I94-V96 HydrophobicContact CD1-CG2 3.69Å; I94-V96 HydrophobicContact CG1-CB 3.92Å; I94-V96 HydrophobicContact CG1-CG2 3.76Å; I94-V116 HydrophobicContact CD1-CG2 4.19Å; I94-V116 HydrophobicContact CG2-CB 4.47Å; I94-V116 HydrophobicContact CG2-CG1 3.87Å; I94-V116 HydrophobicContact CG2-CG2 3.86Å
95G93.7Very high88.2Confident72 Ų7279.2 Ų79.274%0.74242%0.419SS*.THydrogen-bonded Turntrans7422.7179.900000114.8M91 N92M91-G95 PolarHBondContact O-N 3Å; M91-G95 VanDerWaalsContact O-N 3.07Å; N92-G95 PolarHBondContact O-N 3.36Å
96V92.3Very high87.6Confident40 Ų4082.2 Ų82.224%0.24242%0.421CS..  trans-104.1144.2-179.5173.80000109.7M91 I94 P98 Y101M91-V96 CarbonylContact C-O 3.44Å; M91-V96 WeakPolarHBondContact CB-O 3.41Å; M91-V96 PolarHBondContact O-N 2.96Å; M91-V96 VanDerWaalsContact O-N 3.08Å; M91-V96 HydrophobicContact SD-CB 4.42Å; M91-V96 HydrophobicContact SD-CG1 4.18Å; I94-V96 HydrophobicContact CD1-CB 3.99Å; I94-V96 HydrophobicContact CD1-CG2 3.69Å; I94-V96 HydrophobicContact CG1-CB 3.92Å; I94-V96 HydrophobicContact CG1-CG2 3.76Å; V96-P98 WeakPolarHBondContact O-CD 3.49Å; V96-Y101 HydrophobicContact CG1-CD2 4.07Å; V96-Y101 HydrophobicContact CG1-CE2 3.48Å; V96-Y101 VanDerWaalsContact CG1-CE2 3.48Å
97D89.6Confident87.1Confident84 Ų8481.6 Ų81.645%0.44943%0.425SS..  trans-76121.9178.9-174.1-7.7000111.1Q99 E100D97-Q99 PolarHBondContact O-N 3.01Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.39Å; D97-Q99 VanDerWaalsContact OD1-CG 3.26Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.16Å; D97-E100 HydrophobicContact CB-CG 4.37Å; D97-E100 PolarHBondContact O-N 2.95Å; D97-E100 VanDerWaalsContact O-N 3.14Å
98P86.5Confident87Confident13 Ų1384.7 Ų84.78%0.08444%0.442CS..G310 helixtrans-52.5-25171.5-22.829.9000115N88 M91 V96 E100 Y101N88-P98 HydrophobicContact CB-CG 4.24Å; M91-P98 HydrophobicContact CB-CB 4.48Å; M91-P98 HydrophobicContact CB-CG 3.89Å; M91-P98 HydrophobicContact CG-CG 4.47Å; V96-P98 WeakPolarHBondContact O-CD 3.49Å; P98-E100 VanDerWaalsContact C-N 3.27Å; P98-E100 PolarHBondContact O-N 3.39Å; P98-Y101 PolarHBondContact O-N 3.37Å
99Q84.7Confident86.9Confident108 Ų10882.4 Ų82.451%0.50543%0.43SS..G310 helixtrans-62.8-31.4179-57.6-58.6-70.200112.9D97 Y101 H102D97-Q99 PolarHBondContact O-N 3.01Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.39Å; D97-Q99 VanDerWaalsContact OD1-CG 3.26Å; D97-Q99 WeakPolarHBondContact OD1-CG 3.47Å; D97-Q99 PolarHBondContact OD1-N 3.16Å; Q99-Y101 PolarHBondContact O-N 3.46Å; Q99-H102 WeakPolarHBondContact CG-NE2 3.26Å; Q99-H102 PolarHBondContact NE2-CE1 2.79Å; Q99-H102 PolarHBondContact NE2-NE2 3.08Å; Q99-H102 PolarHBondContact O-CD2 3.24Å; Q99-H102 VanDerWaalsContact O-CD2 3.24Å; Q99-H102 CovalentContact OE1-NE2 1.81Å; Q99-H102 PolarHBondContact OE1-NE2 3.05Å
100E81Confident86.7Confident147 Ų14782.3 Ų82.369%0.68743%0.429SS*.G310 helixtrans-65.8-28.3-179.4-64.5-177.6161.900112D97 P98D97-E100 HydrophobicContact CB-CG 4.37Å; D97-E100 PolarHBondContact O-N 2.95Å; D97-E100 VanDerWaalsContact O-N 3.14Å; P98-E100 VanDerWaalsContact C-N 3.27Å; P98-E100 PolarHBondContact O-N 3.39Å
101Y77.4Confident86.6Confident98 Ų9886.6 Ų86.638%0.38445%0.452SS..G310 helixtrans-100.911.9-173-68.4-97000113.7M91 V96 P98 Q99 K103 A104 L112M91-Y101 HydrophobicContact SD-CD2 4.08Å; M91-Y101 HydrophobicContact SD-CE2 4.43Å; M91-Y101 HydrophobicContact SD-CG 4.35Å; V96-Y101 HydrophobicContact CG1-CD2 4.07Å; V96-Y101 HydrophobicContact CG1-CE2 3.48Å; V96-Y101 VanDerWaalsContact CG1-CE2 3.48Å; P98-Y101 PolarHBondContact O-N 3.37Å; Q99-Y101 PolarHBondContact O-N 3.46Å; Y101-K103 PolarHBondContact O-N 3.44Å; Y101-A104 WeakPolarHBondContact O-CB 3.46Å; Y101-A104 PolarHBondContact O-N 3.18Å; Y101-L112 HydrophobicContact CD1-CD2 3.86Å; Y101-L112 HydrophobicContact CE1-CD2 4.27Å; Y101-L112 HydrophobicContact CG-CD2 4.41Å
102H67.9Low86.6Confident141 Ų14188.7 Ų88.765%0.65346%0.463SS*.THydrogen-bonded Turntrans-55.9-9.3-177.8-86.7-26.8000117Q99Q99-H102 WeakPolarHBondContact CG-NE2 3.26Å; Q99-H102 PolarHBondContact NE2-CE1 2.79Å; Q99-H102 PolarHBondContact NE2-NE2 3.08Å; Q99-H102 PolarHBondContact O-CD2 3.24Å; Q99-H102 VanDerWaalsContact O-CD2 3.24Å; Q99-H102 CovalentContact OE1-NE2 1.81Å; Q99-H102 PolarHBondContact OE1-NE2 3.05Å
103K76Confident86.6Confident204 Ų20483.5 Ų83.589%0.88744%0.435SS*.THydrogen-bonded Turntrans-110.13.2178.2-65.2-177.9-178.3174.50114.2Y101Y101-K103 PolarHBondContact O-N 3.44Å
104A75.7Confident86.7Confident31 Ų3184.2 Ų84.226%0.25644%0.436SS..  trans-60.3136.4174.900000111.2Y101 D108 I109Y101-A104 WeakPolarHBondContact O-CB 3.46Å; Y101-A104 PolarHBondContact O-N 3.18Å; A104-D108 HydrophobicContact CB-CB 4.05Å; A104-I109 HydrophobicContact CB-CG1 3.87Å
105E84.6Confident86.8Confident138 Ų13883.6 Ų83.665%0.64544%0.44SS*.  trans-69.8164.3173.7-65.8-156.6171.300111.3A107 D108 I109E105-A107 PolarHBondContact O-N 3.31Å; E105-A107 VanDerWaalsContact O-N 3.13Å; E105-D108 WeakPolarHBondContact CB-OD2 3.47Å; E105-D108 PolarHBondContact N-OD2 1.81Å; E105-D108 PolarHBondContact O-N 3.24Å; E105-I109 WeakPolarHBondContact O-CG1 3.24Å; E105-I109 PolarHBondContact O-N 3.03Å
106K81.4Confident86.9Confident125 Ų12580.8 Ų80.854%0.54341%0.408SS..Hα-helixtrans-63.4-21178.7-58.5-151.7175.4-162.40113.5S80 M83S80-K106 PolarHBondContact OG-NZ 2.97Å; M83-K106 HydrophobicContact CE-CB 4.29Å; M83-K106 HydrophobicContact CE-CD 3.86Å; M83-K106 HydrophobicContact CE-CG 3.94Å; M83-K106 HydrophobicContact SD-CB 4.02Å; M83-K106 HydrophobicContact SD-CD 4.07Å; M83-K106 HydrophobicContact SD-CG 4.25Å
107A84.9Confident87.1Confident52 Ų5282.7 Ų82.743%0.4341%0.413SS..Hα-helixtrans-73.9-51169.600000110.9E105 I109 L110 N111E105-A107 PolarHBondContact O-N 3.31Å; E105-A107 VanDerWaalsContact O-N 3.13Å; A107-I109 VanDerWaalsContact C-N 3.3Å; A107-I109 PolarHBondContact O-N 2.74Å; A107-L110 PolarHBondContact O-N 3.02Å; A107-L110 VanDerWaalsContact O-N 3.07Å; A107-N111 VanDerWaalsContact O-CG 3.3Å; A107-N111 PolarHBondContact O-N 3.24Å; A107-N111 PolarHBondContact O-ND2 3.18Å
108D90.6Very high87.4Confident76 Ų7683.2 Ų83.241%0.40641%0.413SS..Hα-helixtrans-57-42.7179.7-53.1-30.8000112A104 E105 L110 N111 L112A104-D108 HydrophobicContact CB-CB 4.05Å; E105-D108 WeakPolarHBondContact CB-OD2 3.47Å; E105-D108 PolarHBondContact N-OD2 1.81Å; E105-D108 PolarHBondContact O-N 3.24Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 2.86Å; D108-N111 PolarHBondContact O-N 3.28Å; D108-L112 WeakPolarHBondContact O-CB 3.35Å; D108-L112 PolarHBondContact O-N 2.93Å
109I91.5Very high87.9Confident18 Ų1884.1 Ų84.19%0.09243%0.425CS..Hα-helixtrans-55.7-44.5176.5-72169.9000111.4M83 H87 A104 E105 A107 C113M83-I109 HydrophobicContact CE-CD1 3.75Å; M83-I109 HydrophobicContact CE-CG2 4.22Å; M83-I109 HydrophobicContact CG-CG2 3.85Å; M83-I109 HydrophobicContact SD-CG2 4.35Å; H87-I109 HydrophobicContact CB-CG2 3.84Å; A104-I109 HydrophobicContact CB-CG1 3.87Å; E105-I109 WeakPolarHBondContact O-CG1 3.24Å; E105-I109 PolarHBondContact O-N 3.03Å; A107-I109 VanDerWaalsContact C-N 3.3Å; A107-I109 PolarHBondContact O-N 2.74Å; I109-C113 WeakPolarHBondContact O-CB 3.42Å; I109-C113 PolarHBondContact O-N 3.46Å; I109-C113 PolarHBondContact O-SG 3.23Å
110L92.8Very high88.4Confident91 Ų9181.3 Ų81.348%0.47641%0.413SS..Hα-helixtrans-72.6-41.4179.9-68.5174.2000111.7M83 A107 D108 C113 Q114M83-L110 HydrophobicContact CG-CD2 4.1Å; M83-L110 HydrophobicContact CG-CG 4.48Å; A107-L110 PolarHBondContact O-N 3.02Å; A107-L110 VanDerWaalsContact O-N 3.07Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 2.86Å; L110-C113 PolarHBondContact O-N 3.28Å; L110-Q114 PolarHBondContact O-N 3Å
111N93.2Very high89Confident90 Ų9080 Ų8048%0.48141%0.405SS..Hα-helixtrans-61-44.1175.5-65.6-25000111.3A107 D108 Q114 S115A107-N111 VanDerWaalsContact O-CG 3.3Å; A107-N111 PolarHBondContact O-N 3.24Å; A107-N111 PolarHBondContact O-ND2 3.18Å; D108-N111 PolarHBondContact O-N 3.28Å; N111-Q114 WeakPolarHBondContact O-CB 3.32Å; N111-Q114 PolarHBondContact O-N 3.34Å; N111-S115 PolarHBondContact O-N 2.8Å; N111-S115 PolarHBondContact O-OG 3.07Å; N111-S115 VanDerWaalsContact O-OG 3.14Å
112L92.2Very high89.9Confident44 Ų4478.7 Ų78.723%0.2340%0.404CS..Hα-helixtrans-64.9-42.9178.3-177.758.5000111.5M91 Y101 D108 Q114 S115 V116M91-L112 HydrophobicContact CE-CD1 3.97Å; M91-L112 HydrophobicContact CE-CD2 3.53Å; M91-L112 HydrophobicContact CE-CG 3.55Å; M91-L112 HydrophobicContact SD-CD2 3.96Å; Y101-L112 HydrophobicContact CD1-CD2 3.86Å; Y101-L112 HydrophobicContact CE1-CD2 4.27Å; Y101-L112 HydrophobicContact CG-CD2 4.41Å; D108-L112 WeakPolarHBondContact O-CB 3.35Å; D108-L112 PolarHBondContact O-N 2.93Å; L112-Q114 VanDerWaalsContact C-N 3.34Å; L112-Q114 PolarHBondContact O-N 3.48Å; L112-S115 PolarHBondContact O-N 3.32Å; L112-V116 WeakPolarHBondContact O-CG2 3.49Å; L112-V116 PolarHBondContact O-N 3.46Å
113C95.1Very high91.1Very high3 Ų377 Ų772%0.0240%0.398CS..Hα-helixtrans-59-45.5171.7-68.90000111.5L86 A90 I109 L110 V116 F117L86-C113 HydrophobicContact CD2-CB 4.13Å; L86-C113 HydrophobicContact CG-CB 4.3Å; A90-C113 HydrophobicContact CB-CB 4.48Å; I109-C113 WeakPolarHBondContact O-CB 3.42Å; I109-C113 PolarHBondContact O-N 3.46Å; I109-C113 PolarHBondContact O-SG 3.23Å; L110-C113 PolarHBondContact O-N 3.28Å; C113-V116 PolarHBondContact O-N 2.99Å; C113-F117 HydrophobicContact CB-CE2 4.23Å; C113-F117 WeakPolarHBondContact O-CD2 3.26Å; C113-F117 PolarHBondContact O-N 3.43Å; C113-F117 VanDerWaalsContact O-N 3.08Å
114Q95.2Very high92.1Very high107 Ų10767.7 Ų67.750%0.536%0.359SS..Hα-helixtrans-59.7-49.3177.2179.1175.5-19.100111.4L110 N111 L112 V116 F117 E118L110-Q114 PolarHBondContact O-N 3Å; N111-Q114 WeakPolarHBondContact O-CB 3.32Å; N111-Q114 PolarHBondContact O-N 3.34Å; L112-Q114 VanDerWaalsContact C-N 3.34Å; L112-Q114 PolarHBondContact O-N 3.48Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 2.97Å; Q114-F117 PolarHBondContact O-N 2.92Å; Q114-F117 VanDerWaalsContact O-N 3.15Å; Q114-E118 HydrophobicContact CG-CG 4.28Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.48Å; Q114-E118 PolarHBondContact NE2-OE1 3.12Å; Q114-E118 WeakPolarHBondContact O-CB 3.48Å; Q114-E118 WeakPolarHBondContact O-CG 3.37Å; Q114-E118 PolarHBondContact O-N 3.3Å
115S95.8Very high92.9Very high74 Ų7471.2 Ų71.252%0.51737%0.368SS..Hα-helixtrans-58.1-39.9178.1-63.20000113N111 L112 G119N111-S115 PolarHBondContact O-N 2.8Å; N111-S115 PolarHBondContact O-OG 3.07Å; N111-S115 VanDerWaalsContact O-OG 3.14Å; L112-S115 PolarHBondContact O-N 3.32Å; S115-G119 PolarHBondContact O-N 3.43Å
116V96.1Very high93.5Very high12 Ų1271 Ų717%0.07337%0.371CS..Hα-helixtrans-63.7-46.8174.8169.90000111.3A90 M91 L93 I94 L112 C113 Q114 G119 I120A90-V116 HydrophobicContact CB-CB 4.19Å; A90-V116 HydrophobicContact CB-CG1 4.16Å; A90-V116 HydrophobicContact CB-CG2 4.26Å; M91-V116 HydrophobicContact CE-CG2 4.22Å; L93-V116 HydrophobicContact CB-CG1 4.44Å; I94-V116 HydrophobicContact CD1-CG2 4.19Å; I94-V116 HydrophobicContact CG2-CB 4.47Å; I94-V116 HydrophobicContact CG2-CG1 3.87Å; I94-V116 HydrophobicContact CG2-CG2 3.86Å; L112-V116 WeakPolarHBondContact O-CG2 3.49Å; L112-V116 PolarHBondContact O-N 3.46Å; C113-V116 PolarHBondContact O-N 2.99Å; Q114-V116 VanDerWaalsContact C-N 3.32Å; Q114-V116 PolarHBondContact O-N 2.97Å; V116-G119 PolarHBondContact O-N 3.39Å; V116-I120 HydrophobicContact CG1-CD1 3.96Å; V116-I120 WeakPolarHBondContact O-CG1 3.45Å; V116-I120 PolarHBondContact O-N 3.24Å
117F96.4Very high94.1Very high81 Ų8170.2 Ų70.236%0.35537%0.37SS..Hα-helixtrans-70.2-32179.4-64.2-53.7000113.2L86 L93 C113 Q114 I120 F121L86-F117 HydrophobicContact CD1-CE2 3.82Å; L86-F117 HydrophobicContact CD1-CZ 3.88Å; L86-F117 HydrophobicContact CG-CE2 4.24Å; L93-F117 HydrophobicContact CD1-CE1 3.98Å; C113-F117 HydrophobicContact CB-CE2 4.23Å; C113-F117 WeakPolarHBondContact O-CD2 3.26Å; C113-F117 PolarHBondContact O-N 3.43Å; C113-F117 VanDerWaalsContact O-N 3.08Å; Q114-F117 PolarHBondContact O-N 2.92Å; Q114-F117 VanDerWaalsContact O-N 3.15Å; F117-I120 HydrophobicContact CD1-CD1 4.44Å; F117-F121 VanDerWaalsContact O-CB 3.26Å; F117-F121 WeakPolarHBondContact O-CB 3.4Å; F117-F121 PolarHBondContact O-N 3.12Å
118E96.7Very high94.5Very high94 Ų9472.3 Ų72.344%0.43938%0.379SS..Hα-helixtrans-68.2-39.5171.5-75.2-176.1-165.600112Q114 F121 N122Q114-E118 HydrophobicContact CG-CG 4.28Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.48Å; Q114-E118 PolarHBondContact NE2-OE1 3.12Å; Q114-E118 WeakPolarHBondContact O-CB 3.48Å; Q114-E118 WeakPolarHBondContact O-CG 3.37Å; Q114-E118 PolarHBondContact O-N 3.3Å; E118-F121 PolarHBondContact O-N 3.26Å; E118-N122 WeakPolarHBondContact O-CB 3.37Å; E118-N122 VanDerWaalsContact O-CG 3.26Å; E118-N122 PolarHBondContact O-N 3.22Å; E118-N122 PolarHBondContact O-ND2 3.12Å; E118-N122 VanDerWaalsContact O-ND2 3.17Å
119G96.2Very high94.7Very high33 Ų3374.8 Ų74.834%0.3439%0.388SS..Hα-helixtrans-57.3-53.7171.500000111.9S115 V116 F121 N122 M123S115-G119 PolarHBondContact O-N 3.43Å; V116-G119 PolarHBondContact O-N 3.39Å; G119-F121 VanDerWaalsContact C-N 3.3Å; G119-F121 PolarHBondContact O-N 2.94Å; G119-N122 PolarHBondContact O-N 3.22Å; G119-N122 VanDerWaalsContact O-N 3.16Å; G119-M123 WeakPolarHBondContact O-CG 3.49Å; G119-M123 PolarHBondContact O-N 2.95Å
120I95Very high94.9Very high48 Ų4875.7 Ų75.725%0.24639%0.393CS..Hα-helixtrans-59-41.8176.1-65165.6000111L93 V116 F117 N122 M123 T124 L134L93-I120 HydrophobicContact CB-CD1 4.4Å; L93-I120 HydrophobicContact CD1-CD1 4.1Å; V116-I120 HydrophobicContact CG1-CD1 3.96Å; V116-I120 WeakPolarHBondContact O-CG1 3.45Å; V116-I120 PolarHBondContact O-N 3.24Å; F117-I120 HydrophobicContact CD1-CD1 4.44Å; I120-N122 VanDerWaalsContact C-N 3.34Å; I120-N122 PolarHBondContact O-N 3.26Å; I120-M123 PolarHBondContact O-N 3.13Å; I120-T124 HydrophobicContact CG2-CG2 4.5Å; I120-T124 WeakPolarHBondContact O-CG2 3.37Å; I120-T124 PolarHBondContact O-N 2.75Å; I120-L134 HydrophobicContact CG2-CD1 4.48Å
121F94.7Very high94.9Very high120 Ų12074.6 Ų74.653%0.52638%0.384SS..Hα-helixtrans-61.6-41.7177.1175.6-120.1000112.1F117 E118 G119 T124 K125F117-F121 VanDerWaalsContact O-CB 3.26Å; F117-F121 WeakPolarHBondContact O-CB 3.4Å; F117-F121 PolarHBondContact O-N 3.12Å; E118-F121 PolarHBondContact O-N 3.26Å; G119-F121 VanDerWaalsContact C-N 3.3Å; G119-F121 PolarHBondContact O-N 2.94Å; F121-T124 PolarHBondContact O-N 3.16Å; F121-T124 PolarHBondContact O-OG1 3.2Å; F121-K125 PolarHBondContact O-N 3.11Å
122N95.8Very high95Very high70 Ų7072.9 Ų72.937%0.37438%0.383SS..Hα-helixtrans-65.1-47.1175.7-69.6-32.5000111.7E118 G119 I120 T124 K125 D126E118-N122 WeakPolarHBondContact O-CB 3.37Å; E118-N122 VanDerWaalsContact O-CG 3.26Å; E118-N122 PolarHBondContact O-N 3.22Å; E118-N122 PolarHBondContact O-ND2 3.12Å; E118-N122 VanDerWaalsContact O-ND2 3.17Å; G119-N122 PolarHBondContact O-N 3.22Å; G119-N122 VanDerWaalsContact O-N 3.16Å; I120-N122 VanDerWaalsContact C-N 3.34Å; I120-N122 PolarHBondContact O-N 3.26Å; N122-T124 PolarHBondContact O-N 2.88Å; N122-T124 VanDerWaalsContact O-N 3.12Å; N122-K125 WeakPolarHBondContact O-CA 3.32Å; N122-K125 VanDerWaalsContact O-CB 3.27Å; N122-K125 WeakPolarHBondContact O-CB 3.5Å; N122-K125 PolarHBondContact O-N 3.01Å; N122-K125 WeakPolarHBondContact OD1-CE 3.35Å; N122-K125 PolarHBondContact OD1-NZ 3.28Å; N122-D126 PolarHBondContact O-N 2.98Å
123M94.3Very high95.1Very high105 Ų10578.2 Ų78.252%0.51740%0.4SS..Hα-helixtrans-53.7-35.6173.2-64.9173.976.700112.3G119 I120 K125 D126 E127 L130G119-M123 WeakPolarHBondContact O-CG 3.49Å; G119-M123 PolarHBondContact O-N 2.95Å; I120-M123 PolarHBondContact O-N 3.13Å; M123-K125 VanDerWaalsContact C-N 3.28Å; M123-K125 PolarHBondContact O-N 3.42Å; M123-D126 PolarHBondContact O-N 2.83Å; M123-E127 PolarHBondContact O-N 2.89Å; M123-L130 HydrophobicContact CB-CD2 4.19Å
124T95.1Very high95Very high10 Ų1081.6 Ų81.66%0.06142%0.417CS..Hα-helixtrans-78.9-1.2176.673.20000115I120 F121 N122 L130 K131 L134I120-T124 HydrophobicContact CG2-CG2 4.5Å; I120-T124 WeakPolarHBondContact O-CG2 3.37Å; I120-T124 PolarHBondContact O-N 2.75Å; F121-T124 PolarHBondContact O-N 3.16Å; F121-T124 PolarHBondContact O-OG1 3.2Å; N122-T124 PolarHBondContact O-N 2.88Å; N122-T124 VanDerWaalsContact O-N 3.12Å; T124-L130 HydrophobicContact CG2-CD2 3.92Å; T124-L130 HydrophobicContact CG2-CG 3.95Å; T124-K131 WeakPolarHBondContact O-CB 3.42Å; T124-K131 WeakPolarHBondContact O-CD 3.47Å; T124-K131 WeakPolarHBondContact O-CE 3.43Å; T124-K131 WeakPolarHBondContact O-CG 3.39Å; T124-K131 PolarHBondContact O-NZ 2.96Å; T124-L134 HydrophobicContact CG2-CD1 3.43Å; T124-L134 VanDerWaalsContact CG2-CD1 3.43Å; T124-L134 HydrophobicContact CG2-CG 4.47Å
125K94.3Very high94.8Very high104 Ų10484 Ų8445%0.45242%0.422SS..Hα-helixtrans-82.7-46.4164.3-62.1170.4-174.9166.50109.5F121 N122 M123F121-K125 PolarHBondContact O-N 3.11Å; N122-K125 WeakPolarHBondContact O-CA 3.32Å; N122-K125 VanDerWaalsContact O-CB 3.27Å; N122-K125 WeakPolarHBondContact O-CB 3.5Å; N122-K125 PolarHBondContact O-N 3.01Å; N122-K125 WeakPolarHBondContact OD1-CE 3.35Å; N122-K125 PolarHBondContact OD1-NZ 3.28Å; M123-K125 VanDerWaalsContact C-N 3.28Å; M123-K125 PolarHBondContact O-N 3.42Å
126D95.2Very high94.7Very high134 Ų13487.5 Ų87.572%0.71743%0.427SS*.Hα-helixtrans-78.4-37.7-172.9-49.8-33.3000111.4N122 M123 P128N122-D126 PolarHBondContact O-N 2.98Å; M123-D126 PolarHBondContact O-N 2.83Å; D126-P128 WeakPolarHBondContact O-CD 3.28Å
127E95.2Very high94.4Very high109 Ų10991.3 Ų91.351%0.50945%0.447SS..  trans-101.397.6172.4-67.4-167.516900112.4M123 E129 L130 K131M123-E127 PolarHBondContact O-N 2.89Å; E127-E129 VanDerWaalsContact C-N 3.27Å; E127-E129 PolarHBondContact O-N 3.11Å; E127-L130 HydrophobicContact CB-CB 3.79Å; E127-L130 PolarHBondContact O-N 3.1Å; E127-K131 PolarHBondContact O-N 3.49Å
128P92.9Very high94.1Very high95 Ų9596.1 Ų96.162%0.61746%0.463SS*.Hα-helixtrans-68.2-23.217727.3-34.9000113.3D126 K131 A132D126-P128 WeakPolarHBondContact O-CD 3.28Å; P128-K131 WeakPolarHBondContact O-CB 3.49Å; P128-A132 PolarHBondContact O-N 2.74Å
129E95.1Very high93.7Very high128 Ų12898.9 Ų98.960%0.59847%0.47SS*.Hα-helixtrans-69.9-46.4174.3-164.8-156.8118.600111.4E127 K131 A132 R133E127-E129 VanDerWaalsContact C-N 3.27Å; E127-E129 PolarHBondContact O-N 3.11Å; E129-K131 PolarHBondContact O-N 2.86Å; E129-A132 CarbonylContact O-C 3.59Å; E129-A132 WeakPolarHBondContact O-CA 3.38Å; E129-A132 WeakPolarHBondContact O-CB 3.31Å; E129-A132 PolarHBondContact O-N 3.15Å; E129-R133 WeakPolarHBondContact O-CG 3.4Å; E129-R133 PolarHBondContact O-N 3.06Å; E129-R133 WeakPolarHBondContact OE1-CD 3.48Å; E129-R133 IonicContact OE1-NH1 3.33Å; E129-R133 PolarHBondContact OE1-NH1 3.2Å
130L94.7Very high93.2Very high38 Ų38100.9 Ų100.920%0.19947%0.473CS..Hα-helixtrans-56.7-42.5173.6-177.662.7000110.7M123 T124 E127 A132 R133 L134M123-L130 HydrophobicContact CB-CD2 4.19Å; T124-L130 HydrophobicContact CG2-CD2 3.92Å; T124-L130 HydrophobicContact CG2-CG 3.95Å; E127-L130 HydrophobicContact CB-CB 3.79Å; E127-L130 PolarHBondContact O-N 3.1Å; L130-A132 VanDerWaalsContact C-N 3.34Å; L130-A132 PolarHBondContact O-N 3.49Å; L130-R133 PolarHBondContact O-N 3.07Å; L130-L134 WeakPolarHBondContact O-CG 3.16Å; L130-L134 PolarHBondContact O-N 3.4Å
131K94.6Very high92.5Very high68 Ų68104.5 Ų104.530%0.29649%0.492SS..Hα-helixtrans-58.8-40.6172.8-157.8-169-145.2109.70112.8T124 E127 P128 E129 R135T124-K131 WeakPolarHBondContact O-CB 3.42Å; T124-K131 WeakPolarHBondContact O-CD 3.47Å; T124-K131 WeakPolarHBondContact O-CE 3.43Å; T124-K131 WeakPolarHBondContact O-CG 3.39Å; T124-K131 PolarHBondContact O-NZ 2.96Å; E127-K131 PolarHBondContact O-N 3.49Å; P128-K131 WeakPolarHBondContact O-CB 3.49Å; E129-K131 PolarHBondContact O-N 2.86Å; K131-R135 WeakPolarHBondContact O-CB 3.37Å; K131-R135 VanDerWaalsContact O-CG 3.29Å; K131-R135 WeakPolarHBondContact O-CG 3.43Å; K131-R135 PolarHBondContact O-N 3.42Å
132A94Very high91.7Very high54 Ų54104.3 Ų104.345%0.44650%0.497SS..Hα-helixtrans-68.8-39.4175.800000112P128 E129 L130 R135 K136P128-A132 PolarHBondContact O-N 2.74Å; E129-A132 CarbonylContact O-C 3.59Å; E129-A132 WeakPolarHBondContact O-CA 3.38Å; E129-A132 WeakPolarHBondContact O-CB 3.31Å; E129-A132 PolarHBondContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.34Å; L130-A132 PolarHBondContact O-N 3.49Å; A132-R135 WeakPolarHBondContact O-CB 3.47Å; A132-R135 PolarHBondContact O-N 3.23Å; A132-K136 PolarHBondContact O-N 2.98Å
133R94.5Very high90.4Very high155 Ų155108.4 Ų108.459%0.58551%0.514SS*.Hα-helixtrans-63.9-45.8175.1-71.1166.260.4177.1-4.5111.8E129 L130 R135 K136 L137E129-R133 WeakPolarHBondContact O-CG 3.4Å; E129-R133 PolarHBondContact O-N 3.06Å; E129-R133 WeakPolarHBondContact OE1-CD 3.48Å; E129-R133 IonicContact OE1-NH1 3.33Å; E129-R133 PolarHBondContact OE1-NH1 3.2Å; L130-R133 PolarHBondContact O-N 3.07Å; R133-R135 VanDerWaalsContact C-N 3.35Å; R133-R135 PolarHBondContact O-N 3.26Å; R133-K136 WeakPolarHBondContact O-CB 3.48Å; R133-K136 PolarHBondContact O-N 3.39Å; R133-K136 VanDerWaalsContact O-N 3.15Å; R133-L137 PolarHBondContact O-N 3.38Å; R133-L137 VanDerWaalsContact O-N 3.14Å
134L92.4Very high88.9Confident75 Ų75108.8 Ų108.839%0.39352%0.517SS..Hα-helixtrans-63.5-37.8173.2-67.6-172.6000112.5I120 T124 L130 K136 L137 R138I120-L134 HydrophobicContact CG2-CD1 4.48Å; T124-L134 HydrophobicContact CG2-CD1 3.43Å; T124-L134 VanDerWaalsContact CG2-CD1 3.43Å; T124-L134 HydrophobicContact CG2-CG 4.47Å; L130-L134 WeakPolarHBondContact O-CG 3.16Å; L130-L134 PolarHBondContact O-N 3.4Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.24Å; L134-L137 HydrophobicContact CD2-CD1 4.06Å; L134-L137 PolarHBondContact O-N 3.04Å; L134-R138 PolarHBondContact O-N 3.23Å
135R92.3Very high87Confident158 Ų158112.9 Ų112.960%0.59654%0.543SS*.Hα-helixtrans-60.3-41.7171.5-79171.1173179.5-3.5111.5K131 A132 R133 L137 R138 Y139K131-R135 WeakPolarHBondContact O-CB 3.37Å; K131-R135 VanDerWaalsContact O-CG 3.29Å; K131-R135 WeakPolarHBondContact O-CG 3.43Å; K131-R135 PolarHBondContact O-N 3.42Å; A132-R135 WeakPolarHBondContact O-CB 3.47Å; A132-R135 PolarHBondContact O-N 3.23Å; R133-R135 VanDerWaalsContact C-N 3.35Å; R133-R135 PolarHBondContact O-N 3.26Å; R135-L137 PolarHBondContact O-N 3.26Å; R135-R138 WeakPolarHBondContact O-CB 3.41Å; R135-R138 PolarHBondContact O-N 3.48Å; R135-R138 VanDerWaalsContact O-N 3.16Å; R135-Y139 WeakPolarHBondContact O-CD2 3.43Å; R135-Y139 WeakPolarHBondContact O-CE2 3.44Å
136K93.2Very high85.1Confident146 Ų146114.7 Ų114.764%0.63556%0.558SS**Hα-helixtrans-58.8-44.9175.9-167174.5-177.9178.10111.7A132 R133 L134 R138 Y139 N140A132-K136 PolarHBondContact O-N 2.98Å; R133-K136 WeakPolarHBondContact O-CB 3.48Å; R133-K136 PolarHBondContact O-N 3.39Å; R133-K136 VanDerWaalsContact O-N 3.15Å; L134-K136 VanDerWaalsContact C-N 3.33Å; L134-K136 PolarHBondContact O-N 3.24Å; K136-R138 PolarHBondContact O-N 3.32Å; K136-Y139 PolarHBondContact O-N 2.96Å; K136-N140 PolarHBondContact O-N 2.96Å; K136-N140 PolarHBondContact O-OD1 3.1Å
137L90.3Very high82.8Confident93 Ų93113.2 Ų113.249%0.48756%0.558SS.*Hα-helixtrans-57.5-34.3176.2-64.9177.5000113.1R133 L134 R135 Y139 N140 L141R133-L137 PolarHBondContact O-N 3.38Å; R133-L137 VanDerWaalsContact O-N 3.14Å; L134-L137 HydrophobicContact CD2-CD1 4.06Å; L134-L137 PolarHBondContact O-N 3.04Å; R135-L137 PolarHBondContact O-N 3.26Å; L137-Y139 VanDerWaalsContact C-N 3.3Å; L137-Y139 PolarHBondContact O-N 3.36Å; L137-N140 PolarHBondContact O-N 2.98Å; L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CG 3.36Å; L137-L141 PolarHBondContact O-N 3.35Å
138R89.7Confident80.5Confident181 Ų181112.7 Ų112.768%0.68357%0.566SS**Hα-helixtrans-62.6-33.6176-175.6179.7175-176.1-2113L134 R135 K136 N142L134-R138 PolarHBondContact O-N 3.23Å; R135-R138 WeakPolarHBondContact O-CB 3.41Å; R135-R138 PolarHBondContact O-N 3.48Å; R135-R138 VanDerWaalsContact O-N 3.16Å; K136-R138 PolarHBondContact O-N 3.32Å; R138-N142 VanDerWaalsContact O-CG 3.27Å; R138-N142 PolarHBondContact O-N 2.91Å; R138-N142 PolarHBondContact O-ND2 3.22Å; R138-N142 VanDerWaalsContact O-ND2 3.08Å
139Y87.3Confident78.1Confident153 Ų153112.4 Ų112.460%0.657%0.567SS**Hα-helixtrans-72.6-47.9176.2-62.5-81.8000110.4R135 K136 L137 L141 N142 E143R135-Y139 WeakPolarHBondContact O-CD2 3.43Å; R135-Y139 WeakPolarHBondContact O-CE2 3.44Å; K136-Y139 PolarHBondContact O-N 2.96Å; L137-Y139 VanDerWaalsContact C-N 3.3Å; L137-Y139 PolarHBondContact O-N 3.36Å; Y139-L141 PolarHBondContact O-N 2.93Å; Y139-N142 WeakPolarHBondContact O-CB 3.28Å; Y139-N142 PolarHBondContact O-N 2.84Å; Y139-E143 PolarHBondContact O-N 3.1Å; Y139-E143 VanDerWaalsContact O-N 3.12Å
140N85.9Confident75.8Confident75 Ų75114 Ų11440%0.40158%0.578SS.*Hα-helixtrans-53.5-41.4174.9-59.115.7000112.3K136 L137 N142 E143 I144K136-N140 PolarHBondContact O-N 2.96Å; K136-N140 PolarHBondContact O-OD1 3.1Å; L137-N140 PolarHBondContact O-N 2.98Å; N140-N142 VanDerWaalsContact C-N 3.29Å; N140-N142 PolarHBondContact O-N 3.14Å; N140-E143 PolarHBondContact O-N 2.72Å; N140-I144 PolarHBondContact O-N 3.48Å
141L81.9Confident72.9Confident123 Ų123116 Ų11664%0.64460%0.6SS**Hα-helixtrans-66.5-25.1177.7-78.3165.9000114.1L137 Y139L137-L141 WeakPolarHBondContact O-CB 3.38Å; L137-L141 WeakPolarHBondContact O-CG 3.36Å; L137-L141 PolarHBondContact O-N 3.35Å; Y139-L141 PolarHBondContact O-N 2.93Å
142N76.1Confident70.5Confident116 Ų116117.8 Ų117.862%0.6262%0.621SS**Hα-helixtrans-84.7-23.9174.1-62.1-32.9000112.3R138 Y139 N140R138-N142 VanDerWaalsContact O-CG 3.27Å; R138-N142 PolarHBondContact O-N 2.91Å; R138-N142 PolarHBondContact O-ND2 3.22Å; R138-N142 VanDerWaalsContact O-ND2 3.08Å; Y139-N142 WeakPolarHBondContact O-CB 3.28Å; Y139-N142 PolarHBondContact O-N 2.84Å; N140-N142 VanDerWaalsContact C-N 3.29Å; N140-N142 PolarHBondContact O-N 3.14Å
143E69.6Low67.7Low157 Ų157121.9 Ų121.973%0.73464%0.64SS**Hα-helixtrans-81.8-18.5178.3-72.8-179.3-175.900113.1Y139 N140 P145Y139-E143 PolarHBondContact O-N 3.1Å; Y139-E143 VanDerWaalsContact O-N 3.12Å; N140-E143 PolarHBondContact O-N 2.72Å; E143-P145 WeakPolarHBondContact O-CD 3.42Å
144I62.8Low65.5Low112 Ų112120 Ų12057%0.57465%0.646SS**SBendtrans-72.4109164.8-61.8168.4000107.6N140N140-I144 PolarHBondContact O-N 3.48Å
145P55.3Low63.1Low96 Ų96123.1 Ų123.162%0.62367%0.669SS**  trans-66152176.730.3-35.7000109.9E143 S147E143-P145 WeakPolarHBondContact O-CD 3.42Å; P145-S147 PolarHBondContact O-N 3.17Å
146N53.1Low60.9Low142 Ų142121.4 Ų121.476%0.75968%0.681SS**  trans-70.664.5-179.5-65.9-75.7000112.5S148 S149N146-S148 PolarHBondContact O-N 2.84Å; N146-S148 VanDerWaalsContact O-N 3.14Å; N146-S149 PolarHBondContact O-N 2.75Å; N146-S149 VanDerWaalsContact O-N 3.1Å
147S48.9Very low58.5Low103 Ų103119.9 Ų119.972%0.7269%0.689SS**THydrogen-bonded Turntrans-67.9-6.8-17959.20000113.9P145 S149P145-S147 PolarHBondContact O-N 3.17Å; S147-S149 PolarHBondContact O-N 3.07Å
148S47Very low56.4Low98 Ų98121 Ų12169%0.68570%0.704SS**THydrogen-bonded Turntrans-74.914.8164.458.70000113.6N146 I150N146-S148 PolarHBondContact O-N 2.84Å; N146-S148 VanDerWaalsContact O-N 3.14Å; S148-I150 PolarHBondContact O-N 3.05Å
149S42.3Very low54.3Low89 Ų89117.3 Ų117.362%0.62271%0.706SS**  trans-59.290156.9600000109.5N146 S147 A151N146-S149 PolarHBondContact O-N 2.75Å; N146-S149 VanDerWaalsContact O-N 3.1Å; S147-S149 PolarHBondContact O-N 3.07Å; S149-A151 PolarHBondContact O-N 3.49Å
150I45Very low52.2Low162 Ų162117.3 Ų117.383%0.83172%0.716SS**  trans-53.8110172.6-64.3173.3000107.2S148 S152S148-I150 PolarHBondContact O-N 3.05Å; I150-S152 PolarHBondContact O-N 3.46Å
151A35.5Very low50.3Low81 Ų81123.8 Ų123.867%0.66974%0.741SS**  trans-69.396.6-172.400000110.1S149 T153S149-A151 PolarHBondContact O-N 3.49Å; A151-T153 PolarHBondContact O-N 3.36Å
152S43Very low48.2Very low104 Ų104124 Ų12473%0.72775%0.747SS**  trans-55.1108.7163-68.30000108I150 T154I150-S152 PolarHBondContact O-N 3.46Å; S152-T154 PolarHBondContact O-N 3.06Å
153T36.2Very low46.3Very low140 Ų140123.8 Ų123.886%0.85976%0.755SS**  trans-7562.7-174.831.10000112.1A151A151-T153 PolarHBondContact O-N 3.36Å
154T47.8Very low44.9Very low116 Ų116123 Ų12371%0.71276%0.761SS**  trans-95.995.6167.649.60000109.1S152 S156S152-T154 PolarHBondContact O-N 3.06Å; T154-S156 PolarHBondContact O-N 3.34Å
155T41.1Very low44Very low140 Ų140124.2 Ų124.286%0.85977%0.769SS**  trans-54.8117174.648.60000111.2
156S47Very low43.5Very low122 Ų122126.9 Ų126.985%0.85378%0.778SS**  trans-150.2134.6167.5-72.10000108.2T154T154-S156 PolarHBondContact O-N 3.34Å
157S43.7Very low42.8Very low114 Ų114125 Ų12580%0.79778%0.775SS**  trans-97.9175.3-164.8470000113.2
158S45.5Very low42.1Very low117 Ų117127 Ų12782%0.81878%0.784SS**  trans70.6144.9176.177.80000116.7
159S45.6Very low42.4Very low103 Ų103127.8 Ų127.872%0.7279%0.79SS**  cis-157.7152.1-14.539.70000112.3
160L42.8Very low42.2Very low153 Ų153131.3 Ų131.380%0.80180%0.801SS**  trans-6.3130.4155.8-60.4165.4000117.8
161F45.6Very low42.5Very low212 Ų212131.6 Ų131.693%0.9380%0.804SS**  -146.2154.7129.9-96.2-66.9000110.3
162T39.1Very low42.7Very low126 Ų126134.9 Ų134.977%0.77381%0.81SS**  trans-98.5154.7-160.639.40000115.2
163S36.3Very low42.7Very low113 Ų113137.7 Ų137.779%0.7981%0.812SS**  trans-63.7146.2173.2-380000113.4
164T39.1Very low42.9Very low139 Ų139137.2 Ų137.285%0.85380%0.804SS**  trans-138.2129.5154.8-46.40000109.1
165N43.5Very low42.7Very low138 Ų138140 Ų14074%0.73881%0.811SS**  trans-84.6157.4176.9-51.2-37.3000110.4
166N45Very low42.6Very low152 Ų152140 Ų14081%0.81381%0.806SS**  trans-165121.8132.4-105.7-26.1000114.6
167S38.6Very low42.5Very low102 Ų102140 Ų14071%0.71380%0.8SS**  46.3105.8129.4-52.50000120.2
168T35.3Very low42.3Very low145 Ų145142.2 Ų142.289%0.8980%0.803SS**  trans-63.3134.4151.7480000112
169S53.3Low42.4Very low116 Ų116140.2 Ų140.281%0.81180%0.801SS**  trans-143.3132.6156.453.10000110.4
170N37.6Very low42.3Very low162 Ų162144.5 Ų144.587%0.86681%0.806SS**  trans-81.5142.1176.5-65.1-39000110.3
171L51.5Low42.8Very low169 Ų169144.6 Ų144.689%0.88581%0.808SS**  trans-147.7133.5146.1-99.2176.9000109.4
172N40Very low42.7Very low150 Ų150142.7 Ų142.780%0.80281%0.807SS**  trans-69.2151.4158.4-66.2-29.9000107.2
173E41.8Very low43Very low163 Ų163142 Ų14276%0.76281%0.807SS**  -174.8145.574.2-108.4-163.188.100112.9
174N40.1Very low43.7Very low130 Ų130144.5 Ų144.570%0.69581%0.811SS**  trans51.5151.2133.8-78.9-32.3000124.6
175M43.4Very low44.2Very low175 Ų175148.5 Ų148.586%0.86281%0.811SS**  trans75104.4154.6-71.1-65.7-177.100121.1
176N40Very low44.2Very low139 Ų139151 Ų15174%0.74382%0.815SS**  109.797.2118.2-156.124.6000119.7
177V45.8Very low44.4Very low122 Ų122153.2 Ų153.274%0.73982%0.817SS**  trans6143.1140.4-152.40000119.9
178N39.2Very low44.8Very low161 Ų161154.1 Ų154.186%0.86182%0.819SS**  trans87.699.4151.2-1310.8000117.6
179G47.3Very low45.4Very low74 Ų74158.6 Ų158.676%0.76382%0.82SS**  trans-162.1111.7168.400000110.2
180K43.6Very low45.3Very low194 Ų194161.4 Ų161.484%0.84382%0.82SS**  trans-70.7137.6169.5-66.8169.5178171.90108.5
181D52.2Low46.1Very low155 Ų155159.3 Ų159.383%0.82982%0.815SS**  -171141.7109.7-99.6-21.4000114.4S183D181-S183 PolarHBondContact O-N 2.82Å
182N43.7Very low46.1Very low172 Ų172160.2 Ų160.292%0.9281%0.814SS**  trans-89.395.9176.6-76.9-33.2000110.3
183S46.5Very low46.5Very low111 Ų111162 Ų16278%0.77682%0.818SS**  trans-113.991.7171.3-165.20000111.8D181 R185D181-S183 PolarHBondContact O-N 2.82Å; S183-R185 PolarHBondContact O-N 2.91Å
184L50.5Low46.7Very low165 Ų165163.2 Ų163.286%0.86482%0.823SS**  trans-65.5100.1174.4-80.2164.1000110.4K186L184-K186 PolarHBondContact O-N 3.35Å
185R48.6Very low46.9Very low224 Ų224166.5 Ų166.585%0.84583%0.825SS**  trans-61.398.9166.5-74-166.4-176.5-160.43.2109.6S183 F187S183-R185 PolarHBondContact O-N 2.91Å; R185-F187 PolarHBondContact O-N 3.23Å; R185-F187 VanDerWaalsContact O-N 3.09Å
186K44.5Very low47.4Very low191 Ų191162.6 Ų162.683%0.8382%0.815SS**  trans-57.7112.1166.9-71-180177.71770108.7L184 T188L184-K186 PolarHBondContact O-N 3.35Å; K186-T188 PolarHBondContact O-N 3.48Å
187F49.6Very low47.9Very low197 Ų197164.7 Ų164.786%0.86481%0.814SS**  trans-71.894.8166.8-88-87.8000109R185 R189R185-F187 PolarHBondContact O-N 3.23Å; R185-F187 VanDerWaalsContact O-N 3.09Å; F187-R189 PolarHBondContact O-N 2.83Å
188T45.6Very low47.9Very low122 Ų122167.3 Ų167.375%0.74882%0.818SS**  trans-63.4100.2175.3-43.80000109.5K186 H190K186-T188 PolarHBondContact O-N 3.48Å; T188-H190 PolarHBondContact O-N 3.1Å
189R49.2Very low48.5Very low239 Ų239167.8 Ų167.890%0.90282%0.815SS**  trans-65.7116.7171.1-73.6-173.6176.2-174.8-0.4108.7F187F187-R189 PolarHBondContact O-N 2.83Å
190H51.6Low48.3Very low175 Ų175169.6 Ų169.681%0.8182%0.816SS**  trans-60.7133.4169.9-72.5-87.8000109.8T188 H192T188-H190 PolarHBondContact O-N 3.1Å; H190-H192 PolarHBondContact O-N 3.45Å
191P53.4Low48.5Very low117 Ų117167.7 Ų167.776%0.7681%0.81SS**  trans-72.1112.6173.428.8-32.4000109.4Q193P191-Q193 PolarHBondContact O-N 2.76Å
192H51.2Low48.1Very low188 Ų188169.2 Ų169.287%0.8781%0.812SS**  trans-63.2121.7168.1-103.4-46.3000109.1H190 H194H190-H192 PolarHBondContact O-N 3.45Å; H192-H194 PolarHBondContact O-N 3.16Å
193Q47.9Very low48.2Very low189 Ų189168.4 Ų168.488%0.88380%0.803SS**  trans-65106.6179.6-68.7177.9-16.800110.3P191 R195P191-Q193 PolarHBondContact O-N 2.76Å; Q193-R195 PolarHBondContact O-N 2.85Å
194H46.1Very low47.8Very low187 Ų187168.8 Ų168.887%0.86681%0.805SS**  trans-66.2105.1171.1-112.2-97.5000109.3H192 S196H192-H194 PolarHBondContact O-N 3.16Å; H194-S196 PolarHBondContact O-N 2.92Å
195R45.9Very low47.6Very low200 Ų200169.6 Ų169.676%0.75580%0.804SS**  trans-73.377.7175.7-166-178.3-163.5178.78.5110.2Q193 Y197Q193-R195 PolarHBondContact O-N 2.85Å; R195-Y197 HydrophobicContact CG-CE2 4.2Å; R195-Y197 WeakPolarHBondContact O-CD2 3.33Å; R195-Y197 PolarHBondContact O-N 3.43Å
196S52.3Low47Very low93 Ų93163.9 Ų163.965%0.6580%0.799SS**  trans-63.3112.9175.7-172.20000110.3H194 H198H194-S196 PolarHBondContact O-N 2.92Å; S196-H198 PolarHBondContact O-N 3.48Å
197Y52.3Low47.1Very low183 Ų183161.4 Ų161.472%0.71880%0.8SS**  trans-80.493.3171.1-84-93.1000109.1R195 Q199R195-Y197 HydrophobicContact CG-CE2 4.2Å; R195-Y197 WeakPolarHBondContact O-CD2 3.33Å; R195-Y197 PolarHBondContact O-N 3.43Å; Y197-Q199 PolarHBondContact O-N 2.93Å
198H44.8Very low46.8Very low177 Ų177159.1 Ų159.182%0.81980%0.796SS**  trans-61.7108.7168.8-100.1-93.2000110S196 S200S196-H198 PolarHBondContact O-N 3.48Å; H198-S200 PolarHBondContact O-N 3.27Å
199Q52.5Low46.9Very low170 Ų170161.4 Ų161.479%0.79480%0.804SS**  trans-77.7112.7170-177.3172.9-7.200109Y197 Q201Y197-Q199 PolarHBondContact O-N 2.93Å; Q199-Q201 PolarHBondContact O-N 3.31Å
200S42.9Very low46.6Very low112 Ų112156.5 Ų156.578%0.78379%0.794SS**  trans-71106.4177.739.90000111.5H198H198-S200 PolarHBondContact O-N 3.27Å
201Q47.5Very low46.7Very low155 Ų155159.1 Ų159.172%0.72480%0.799SS**  trans-92.8119153.2-66.6-165.943.400108.1Q199Q199-Q201 PolarHBondContact O-N 3.31Å
202Q44.6Very low46.1Very low187 Ų187158 Ų15887%0.87479%0.793SS**  trans-86.8112.2169.3-72.7-179.2-2700108.5
203H44.5Very low46.1Very low155 Ų155158.8 Ų158.872%0.71880%0.795SS**  trans-101.8124.9161-86.5-46.6000109.1
204S39.3Very low46.3Very low118 Ų118154.9 Ų154.983%0.82579%0.785SS**  trans-77.9134.1-179.5-49.10000110.9
205H44.9Very low46.1Very low182 Ų182151.9 Ų151.984%0.84378%0.78SS**  trans-119137.4167.9-75.3-59.7000111.8
206S37Very low46.1Very low105 Ų105148.9 Ų148.973%0.73479%0.785SS**  trans-58145.9-178.8174.60000114.6
207T46.8Very low45.9Very low139 Ų139147.5 Ų147.585%0.85379%0.785SS**  trans-144.9124132.244.20000110.1
208N42.3Very low45.7Very low148 Ų148145.2 Ų145.279%0.79179%0.79SS**  trans-88.7154.1162.5-93.5-11.1000109.7
209N48Very low45.9Very low171 Ų171142.7 Ų142.791%0.91479%0.788SS**  trans-138.5142.8162-122.7-12.8000109.5
210I42.4Very low45.7Very low135 Ų135140.5 Ų140.569%0.69279%0.786SS**  trans-116137.9-168.9-63.6172.2000110.1
211Y54.7Low45.8Very low231 Ų231141.5 Ų141.591%0.90679%0.787SS**  trans-126.5138.3156-96.4-89.2000108.6
212S39.9Very low45.9Very low92 Ų92138 Ų13864%0.64379%0.785SS**  trans-160.8132.2-178.7-62.20000110.8
213F52.1Low46.1Very low206 Ų206136 Ų13690%0.90478%0.781SS**  trans-143.4154.1158.3-86.2-76.7000109.7
214P50.9Low46.5Very low106 Ų106134 Ų13469%0.68878%0.779SS**  trans-102.9-168.9-159.841.8-34.7000112.4
215T42.7Very low47.2Very low124 Ų124136.6 Ų136.676%0.76178%0.784SS**  cis-160174.223.3-13.10000107.2
216T46.2Very low47.2Very low138 Ų138134.2 Ų134.285%0.84778%0.782SS**  cis-147.4172.29.426.70000109.2
217G47.1Very low47.6Very low64 Ų64136.3 Ų136.366%0.6678%0.781SS**  trans13797.2149.400000118.8
218T48.3Very low47.4Very low134 Ų134136.6 Ų136.682%0.82277%0.774SS**  trans58.8131.8150.444.50000123.2
219T48.4Very low47.4Very low125 Ų125137.2 Ų137.277%0.76777%0.77SS**  trans77.198.9146.843.40000123
220T48.5Very low47.1Very low124 Ų124134.5 Ų134.576%0.76176%0.764SS**  8599.5122.4-44.30000120.9
221T45Very low46.9Very low132 Ų132134.4 Ų134.481%0.8177%0.77SS**  179.5152.1110.3-66.30000111.9
222A50.4Low46.2Very low81 Ų81129.1 Ų129.167%0.66977%0.767SS**  trans-48.4139.6177.400000115.5
223N50Low46.1Very low147 Ų147131.4 Ų131.479%0.78678%0.777SS**  70.6137.965.3-73.1-2000114.1
224T51.5Low45.8Very low113 Ų113129.1 Ų129.169%0.69377%0.773SS**  cis-165.7149.50.113.50000110.9
225N53.5Low45.4Very low171 Ų171129.5 Ų129.591%0.91478%0.778SS**  trans-170.3155.6141.5-104.9-25000111.8
226T46.2Very low45.9Very low132 Ų132129.1 Ų129.181%0.8178%0.777SS**  trans-120.7156-155.2-570000115.4
227Q44.7Very low45.9Very low150 Ų150128.2 Ų128.270%0.70177%0.774SS**  trans-50.1138.4178.6-65.7179.6200114.8
228M42.8Very low45.6Very low144 Ų144132.6 Ų132.671%0.70978%0.782SS**  60.6135.892.5-45.5-141.7-55.100116.4
229F42.7Very low45.9Very low162 Ų162131.7 Ų131.771%0.71178%0.778SS**  -177.6155.799.4-107.2-75.5000114.6
230S41.6Very low45.6Very low113 Ų113130.9 Ų130.979%0.7977%0.773SS**  trans72.5132.1151.3-61.80000121.8
231T36.8Very low45.4Very low134 Ų134131.9 Ų131.982%0.82277%0.772SS**  trans-96.8158.6176500000112.8
232S41.2Very low45.3Very low120 Ų120132 Ų13284%0.83977%0.768SS**  trans-161.9135.9145.3-82.80000111.2
233T37.5Very low45Very low140 Ų140136.1 Ų136.186%0.85977%0.773SS**  trans-108.2120.8-179.547.50000111.4
234I46.5Very low44.8Very low157 Ų157136 Ų13681%0.80578%0.778SS**  trans-139.5122.3169.1-60-178.7000109.2
235S42.3Very low44.7Very low114 Ų114138 Ų13880%0.79778%0.783SS**  trans-89.1148.1168.6-460000110.4
236P52Low44.4Very low116 Ų116136.5 Ų136.575%0.75378%0.775SS**  trans-138.4-162.1136.446.6-33.6000110.2
237P45.9Very low44.6Very low119 Ų119138 Ų13877%0.77377%0.772SS**  -128.8-177.8-117.427.5-1.1000115.7
238L41.2Very low45.1Very low157 Ų157136.5 Ų136.582%0.82277%0.77SS**  trans-75140.2175.4-17475.2000112.9
239P55.8Low45.8Very low114 Ų114137.2 Ų137.274%0.7478%0.776SS**  trans-110.2169.415537.4-29.2000112.6
240T41.5Very low46.4Very low109 Ų109137.4 Ų137.467%0.66978%0.777SS**  trans-131.8136.3-156.6-57.90000111.8
241I44.7Very low47.1Very low145 Ų145140.8 Ų140.874%0.74478%0.78SS**  trans48.2117.3156.6-63.3169.1000117.3
242D43Very low48.2Very low135 Ų135141.8 Ų141.872%0.72278%0.78SS**  -165.6-179.791.5-134.6-37.4000113.4
243Q43.4Very low49.1Very low166 Ų166147.9 Ų147.978%0.77679%0.785SS**  trans-83143.9-168.8-59.5158.349.600114.2
244T45.8Very low50.4Low144 Ų144148 Ų14888%0.88378%0.779SS**  -163.9159.5127.912.60000112.3
245I49.6Very low51.3Low155 Ų155146.1 Ų146.180%0.79578%0.777SS**  trans-70.2153-166.7-45.7173.8000113.2
246D47.5Very low52.3Low141 Ų141151.9 Ų151.975%0.75478%0.781SS**  trans107.4147.5142.4-115.7-22.5000122
247E50.1Low52.6Low162 Ų162154.2 Ų154.276%0.75779%0.786SS**  trans46.1104.8165.6-62.1-69.2-172.900120.7
248D55.6Low53.3Low120 Ų120156.1 Ų156.164%0.64279%0.789SS**  -172.1133.2117.2-133.7-38.4000113.6K250D248-K250 HydrophobicContact CB-CD 4.42Å; D248-K250 PolarHBondContact O-N 2.94Å; D248-K250 IonicContact OD1-NZ 2.75Å; D248-K250 WeakPolarHBondContact OD2-CE 3.28Å; D248-K250 IonicContact OD2-NZ 3.65Å; D248-K250 PolarHBondContact OD2-NZ 2.94Å
249D56.6Low54.3Low159 Ų159155.9 Ų155.985%0.8579%0.787SS**  trans-91.995.4-171.8-154.8-5.1000112.1
250K56.9Low54.4Low166 Ų166159 Ų15972%0.72279%0.789SS**  trans-134.125.8-165.8-73.4-177.2-176.9147.50118.5D248D248-K250 HydrophobicContact CB-CD 4.42Å; D248-K250 PolarHBondContact O-N 2.94Å; D248-K250 IonicContact OD1-NZ 2.75Å; D248-K250 WeakPolarHBondContact OD2-CE 3.28Å; D248-K250 IonicContact OD2-NZ 3.65Å; D248-K250 PolarHBondContact OD2-NZ 2.94Å
251E56Low54.9Low184 Ų184158.5 Ų158.586%0.8679%0.79SS**  trans-125.468.9174.3-162.3168.8-150.200114.9
252N59.5Low55.1Low154 Ų154158.6 Ų158.682%0.82479%0.792SS**  trans-155.635.6166-124.4-40.9000115.9I254N252-I254 PolarHBondContact O-N 2.79Å
253R60Low54.9Low249 Ų249157.6 Ų157.694%0.9480%0.796SS**  trans-98.379.3-174.1-137.2179.2-160.6-140.15.9113.6
254I63.7Low55.1Low141 Ų141155.1 Ų155.172%0.72380%0.797SS**  trans-57.4125.3171.1-58.6174.7000109.7N252 R256N252-I254 PolarHBondContact O-N 2.79Å; I254-R256 PolarHBondContact O-N 2.94Å
255P65.7Low55.2Low118 Ų118154.4 Ų154.477%0.76679%0.792SS**  trans-69.8115.5179.726.7-33.4000111.2L257P255-L257 PolarHBondContact O-N 3.17Å
256R64.2Low55.3Low235 Ų235150.6 Ų150.689%0.88779%0.791SS**  trans-70.1112.2173.2-80.7-175.9167.2-177.8-3.8110.5I254 L258I254-R256 PolarHBondContact O-N 2.94Å; R256-L258 PolarHBondContact O-N 2.89Å
257L59Low55.2Low166 Ų166150.1 Ų150.187%0.86979%0.789SS**  trans-69.595.3172-117.6166.8000110.2P255 I259P255-L257 PolarHBondContact O-N 3.17Å; L257-I259 PolarHBondContact O-N 3.05Å; L257-I259 VanDerWaalsContact O-N 3.16Å
258L59.8Low55.1Low159 Ų159153.7 Ų153.783%0.83280%0.797SS**  trans-76.396174.9-79.1167.6000110.5R256 K260R256-L258 PolarHBondContact O-N 2.89Å; L258-K260 PolarHBondContact O-N 3.39Å; L258-K260 VanDerWaalsContact O-N 3.12Å
259I61.8Low54.4Low152 Ų152155.5 Ų155.578%0.77981%0.807SS**  trans-70.3104167.3-59.8177.2000107.9L257 S261L257-I259 PolarHBondContact O-N 3.05Å; L257-I259 VanDerWaalsContact O-N 3.16Å; I259-S261 PolarHBondContact O-N 3.2Å
260K57.7Low53.8Low178 Ų178154.5 Ų154.577%0.77481%0.807SS**  trans-83.599179.5-173.7173.4178.7176.60110.7L258 N262L258-K260 PolarHBondContact O-N 3.39Å; L258-K260 VanDerWaalsContact O-N 3.12Å; K260-N262 PolarHBondContact O-N 2.96Å
261S52.2Low53.5Low100 Ų100152.1 Ų152.170%0.69981%0.808SS**  trans-66.7111.2171-57.40000110.6I259 S263I259-S261 PolarHBondContact O-N 3.2Å; S261-S263 PolarHBondContact O-N 3.03Å; S261-S263 VanDerWaalsContact O-N 3.15Å
262N48.2Very low52.7Low146 Ų146154 Ų15478%0.78181%0.809SS**  trans-81.388.8175.6-77.5-12.8000110.9K260K260-N262 PolarHBondContact O-N 2.96Å
263S40.1Very low52.1Low114 Ų114154.1 Ų154.180%0.79781%0.809SS**  trans-98.288.4165.357.50000110S261S261-S263 PolarHBondContact O-N 3.03Å; S261-S263 VanDerWaalsContact O-N 3.15Å
264S47.8Very low51.2Low115 Ų115149 Ų14980%0.80480%0.8SS**  trans-85.1128.6172.9-172.30000110.6
265T46.7Very low50Low128 Ų128149.7 Ų149.779%0.78581%0.805SS**  trans-55.2143.5174.742.50000113.6
266G52.1Low49Very low75 Ų75150.3 Ų150.377%0.77381%0.807SS**  trans-154.190.6167.900000110.1
267N45.4Very low48Very low131 Ų131144.9 Ų144.970%0.70180%0.8SS**  trans-79.4129.8-177.4-61.2-16.1000111.2
268Y47.3Very low47.6Very low237 Ų237142.8 Ų142.893%0.92979%0.794SS**  trans-146.8146.7147.4-73.7-64000110.2
269N40.9Very low46.6Very low158 Ų158142 Ų14285%0.84579%0.79SS**  trans-100.6139.6-168.1-56.3-35.1000112.4
270T45.7Very low45.6Very low139 Ų139139.7 Ų139.785%0.85379%0.787SS**  trans-142.8141.8148.941.10000110.1
271P48.9Very low44.7Very low116 Ų116136.8 Ų136.875%0.75379%0.785SS**  trans-99.7159.1-171.838-35.9000114.9
272Y39.5Very low44.2Very low222 Ų222137.2 Ų137.287%0.87179%0.787SS**  trans26.3124.3146.9-79.1-98.3000120.6
273L46.8Very low43.8Very low158 Ų158137.3 Ų137.383%0.82779%0.787SS**  -155125.8129.7-113.9172.4000113.3
274N42.3Very low44.2Very low142 Ų142138.5 Ų138.576%0.75979%0.789SS**  trans15.1140.2163.8-65.2-12.4000124.1
275N39Very low44Very low154 Ų154138.6 Ų138.682%0.82479%0.785SS**  trans-66.7146.8161.8-52.4-40.7000112.3
276V44.3Very low44Very low131 Ų131138.3 Ų138.379%0.79479%0.786SS**  trans-136.4121.8143.9-179.20000108.4V278V276-V278 HydrophobicContact CG1-CG2 3.87Å
277T42.3Very low43.8Very low122 Ų122142.6 Ų142.675%0.74879%0.789SS**  trans-98.2127.9170.5-55.40000108.6
278V50.1Low43.5Very low122 Ų122140.3 Ų140.374%0.73978%0.783SS**  trans-123.8103.9172.2-167.30000108.9V276V276-V278 HydrophobicContact CG1-CG2 3.87Å
279N39.3Very low43.6Very low142 Ų142134.1 Ų134.176%0.75978%0.775SS**  trans-73.8136.6162.5-79.1-15.8000108.4
280S42Very low43.5Very low103 Ų103136 Ų13672%0.7277%0.772SS**  trans-129.4134.9157.4-170.50000108.2
281T38.2Very low43.7Very low118 Ų118137.3 Ų137.372%0.72477%0.771SS**  trans-133.7109.7-172.5-53.70000108.7
282C41.8Very low43.4Very low109 Ų109137.7 Ų137.774%0.73677%0.772SS**  trans-120.3102.5-179-39.60000108.6
283N40.4Very low43.2Very low148 Ų148135.8 Ų135.879%0.79177%0.77SS**  trans-77.5135.7170.4-66-29.4000109.6
284V46.5Very low43.2Very low138 Ų138133.9 Ų133.984%0.83677%0.771SS**  trans-133.1121.3160-176.10000108.5
285T45.5Very low42.9Very low118 Ų118133 Ų13372%0.72478%0.775SS**PPolyproline II helixtrans-85.3139.4-176.6-40.20000110.3
286P45.3Very low43.3Very low122 Ų122131.5 Ų131.579%0.79278%0.777SS**PPolyproline II helixtrans-71.8140176.129.5-35.1000111.7
287I48.7Very low43.1Very low164 Ų164130 Ų13084%0.84177%0.772SS**PPolyproline II helixtrans-91.6131169.7-65.5176.7000108.7
288S39.3Very low43.2Very low83 Ų83134.5 Ų134.558%0.5878%0.777SS**PPolyproline II helixtrans-94.1138.6169.1-174.60000109.8
289S49.3Very low42.9Very low107 Ų107133.2 Ų133.275%0.74877%0.773SS**  trans-129.9127.5171.253.80000110.8
290Y38.7Very low43.1Very low199 Ų199131.9 Ų131.978%0.7878%0.775SS**  trans-90.1144.1-169.1-21.9-87.8000110.2
291I49.5Very low43.2Very low165 Ų165131.9 Ų131.985%0.84678%0.775SS**  trans-127.6139.7165.2-65.2-175.8000108.9
292T42.6Very low43.5Very low125 Ų125131.6 Ų131.677%0.76778%0.778SS**  trans-90.8143.4-159.9-43.20000113
293H35.3Very low43.5Very low181 Ų181131.5 Ų131.584%0.83878%0.778SS**  trans-77.5130.9164.9-68.1-80.3000111
294S46.2Very low43.7Very low119 Ų119130.9 Ų130.983%0.83278%0.78SS**  trans-113.4114168.8-68.20000109.9
295S37.7Very low43.7Very low122 Ų122129.1 Ų129.185%0.85377%0.774SS**  trans-88.7139.2177.5-51.20000111.3
296S46.5Very low43.6Very low124 Ų124129.2 Ų129.287%0.86778%0.78SS**  trans-138.6142.5158.357.20000110.1
297S39.4Very low43.6Very low98 Ų98133.6 Ų133.669%0.68579%0.786SS**  trans-107.8-161.2-166.653.50000112.5
298Y45.6Very low43.3Very low217 Ų217131.5 Ų131.585%0.85179%0.786SS**  trans91139.8179.5-54.4-68.8000116.2
299S42.7Very low43.4Very low95 Ų95132.2 Ų132.266%0.66479%0.791SS**  cis-176142.9-33.3-1110000109.8
300S44.4Very low43.2Very low115 Ų115136.7 Ų136.780%0.80480%0.798SS**  trans60.2156.8160.836.90000118
301S44.2Very low43.4Very low103 Ų103132.7 Ų132.772%0.7280%0.799SS**  cis-169.5170.2-16.648.70000110.4
302S44.9Very low42.9Very low112 Ų112130.8 Ų130.878%0.78380%0.8SS**  trans78.2160.5167.681.20000118.8
303S41.9Very low42.9Very low106 Ų106130.1 Ų130.174%0.74180%0.801SS**  165.795.1-70.461.40000112.3
304T44.4Very low43.1Very low136 Ų136127 Ų12783%0.83480%0.799SS**  trans-158.9131.7158.435.90000107.1
305S45.1Very low43.1Very low101 Ų101128 Ų12871%0.70680%0.8SS**  cis111.479.716.873.90000113.9
306S44.8Very low43.4Very low120 Ų120128.8 Ų128.884%0.83980%0.8SS**  trans-168.2116.6158.1-77.50000106.7
307K44.1Very low43.3Very low213 Ų213128.4 Ų128.493%0.92680%0.797SS**  cis68.481.743.1-72.6-164.4174.1-176.10115.7
308S43.1Very low43.6Very low121 Ų121129.5 Ų129.585%0.84680%0.8SS**  trans-150.3163.1138.864.80000108.9
309S41.5Very low43.8Very low98 Ų98124.7 Ų124.769%0.68580%0.795SS**  trans-158.6121.6-163.354.90000114
310F45.3Very low44.2Very low201 Ų201127.6 Ų127.688%0.88280%0.802SS**  trans-139114.3160.3-66.4-74.8000106.8
311S41.7Very low44.2Very low115 Ų115129.3 Ų129.380%0.80480%0.802SS**  76.9102.272.9-65.20000111.6
312S39.3Very low44Very low124 Ų124130.8 Ų130.887%0.86780%0.802SS**  trans-81.5143.5-173.651.70000114
313S42.1Very low43.9Very low112 Ų112132.9 Ų132.978%0.78380%0.803SS**  trans-134.1111.2155.250.10000109.9
314S41.3Very low43.7Very low116 Ų116137.2 Ų137.281%0.81181%0.811SS**  trans-92.4122176.750.50000110.3
315V46.1Very low43.6Very low139 Ų139135.7 Ų135.784%0.84281%0.806SS**  trans-116.5103.7175.1-123.10000110.1S317V315-S317 PolarHBondContact O-N 3.13Å
316T42.7Very low43.6Very low139 Ų139142.1 Ų142.185%0.85382%0.815SS**  trans-84.9100.7169.647.40000109.6
317S43.9Very low44Very low116 Ų116142.4 Ų142.481%0.81181%0.811SS**PPolyproline II helixtrans-83.1138.9167.546.50000110.8V315V315-S317 PolarHBondContact O-N 3.13Å
318T47.2Very low44.1Very low121 Ų121140 Ų14074%0.74281%0.809SS**PPolyproline II helixtrans-73.1144.6-17247.60000113.3
319P49.3Very low44.3Very low115 Ų115137.1 Ų137.175%0.74780%0.797SS**PPolyproline II helixtrans-66.8135.3167.429.9-34.1000110.5N321P319-N321 PolarHBondContact O-N 3.01Å; P319-N321 VanDerWaalsContact O-N 3.13Å
320I51.1Low44.6Very low157 Ų157140.8 Ų140.881%0.80581%0.808SS**  trans-79.198.3178.7-59.6171.9000109.2N322I320-N322 PolarHBondContact O-N 3.06Å
321N44Very low44.5Very low151 Ų151139.4 Ų139.481%0.80781%0.807SS**  trans-73.2115.3159.3-83.7-29.8000109P319P319-N321 PolarHBondContact O-N 3.01Å; P319-N321 VanDerWaalsContact O-N 3.13Å
322N41.3Very low45.4Very low134 Ų134141.3 Ų141.372%0.71781%0.805SS**  trans-153.8122.9156.1-107.5-38.5000113.5I320I320-N322 PolarHBondContact O-N 3.06Å
323L41.2Very low46Very low155 Ų155142.3 Ų142.381%0.81280%0.796SS**  trans46.184.7153.4-69.6146000118.2S325L323-S325 PolarHBondContact O-N 3.15Å; L323-S325 VanDerWaalsContact O-N 3.1Å
324H38.3Very low46.3Very low198 Ų198147.7 Ų147.792%0.91780%0.799SS**  trans-62105.5148-88.1106.9000109.7
325S43.5Very low46.7Very low104 Ų104148.9 Ų148.973%0.72779%0.792SS**  trans-72.9136.2166.2-173.20000110.4L323 V327L323-S325 PolarHBondContact O-N 3.15Å; L323-S325 VanDerWaalsContact O-N 3.1Å; S325-V327 PolarHBondContact O-N 2.92Å
326R44.4Very low46.8Very low236 Ų236147.4 Ų147.489%0.89179%0.788SS**  trans-70.5111.7173.9-86.7178.8163.2179.7-4.9110.1
327V53Low47.4Very low125 Ų125146.7 Ų146.776%0.75878%0.783SS**  trans-118.2111.2159.3-177.70000108.4S325 G329S325-V327 PolarHBondContact O-N 2.92Å; V327-G329 PolarHBondContact O-N 3.44Å
328N46.3Very low48Very low164 Ų164146.4 Ų146.488%0.87778%0.779SS**  trans-74.776.2173.7-77.5-7.4000109.9
329G47.7Very low48.1Very low59 Ų59148.4 Ų148.461%0.60878%0.784SS**  trans-89.4125171.300000111.4V327 M331V327-G329 PolarHBondContact O-N 3.44Å; G329-M331 PolarHBondContact O-N 2.79Å
330L46.9Very low48.1Very low175 Ų175151.6 Ų151.692%0.91679%0.789SS**  trans-65.598.6178-80.7162.3000111.3M332L330-M332 PolarHBondContact O-N 3.02Å
331M43.7Very low47.9Very low173 Ų173153.6 Ų153.685%0.85279%0.788SS**  trans-69.6100.4174.5-177.617564.300110.4G329 Q333G329-M331 PolarHBondContact O-N 2.79Å; M331-Q333 PolarHBondContact O-N 3.21Å
332M60.3Low48.1Very low155 Ų155152.4 Ų152.476%0.76478%0.781SS**  trans-64.1101.7169.3-78.3-69-173.500110.1L330 W334L330-M332 PolarHBondContact O-N 3.02Å; M332-W334 PolarHBondContact O-N 3Å
333Q52Low48.6Very low144 Ų144152.2 Ų152.267%0.67378%0.78SS**  trans-68.698.5175-171.5-169.320.500109.7M331 Q335M331-Q333 PolarHBondContact O-N 3.21Å; Q333-Q335 VanDerWaalsContact C-N 3.26Å; Q333-Q335 HydrophobicContact CG-CG 3.98Å; Q333-Q335 PolarHBondContact O-N 2.97Å
334W48.8Very low48.9Very low225 Ų225152.7 Ų152.785%0.85278%0.776SS**  trans-69.781.9172.6-73.492.6000110.9M332 S336M332-W334 PolarHBondContact O-N 3Å; W334-S336 VanDerWaalsContact C-N 3.31Å; W334-S336 PolarHBondContact O-N 2.78Å
335Q48.5Very low49.6Very low142 Ų142153.7 Ų153.766%0.66477%0.773SS**  trans-70.488.8168.3-64.4-168.710.500109.4Q333 T337Q333-Q335 VanDerWaalsContact C-N 3.26Å; Q333-Q335 HydrophobicContact CG-CG 3.98Å; Q333-Q335 PolarHBondContact O-N 2.97Å; Q335-T337 PolarHBondContact O-N 3Å
336S49.1Very low49.5Very low108 Ų108156.6 Ų156.676%0.75578%0.781SS**  trans-69.394.2172.9-65.50000110.3W334 P338W334-S336 VanDerWaalsContact C-N 3.31Å; W334-S336 PolarHBondContact O-N 2.78Å; S336-P338 WeakPolarHBondContact O-CD 3.44Å
337T55.3Low49.4Very low123 Ų123150.5 Ų150.576%0.75577%0.774SS**  trans-58.5123176-23.70000110.2Q335 L339Q335-T337 PolarHBondContact O-N 3Å; T337-L339 PolarHBondContact O-N 3.25Å; T337-L339 VanDerWaalsContact O-N 3.13Å
338P55.7Low48.7Very low111 Ų111152.1 Ų152.172%0.72178%0.778SS**  trans-66.4114.9173.3-18.932.2000109.5S336 Q340S336-P338 WeakPolarHBondContact O-CD 3.44Å; P338-Q340 PolarHBondContact O-N 3.49Å
339L48.9Very low48.6Very low162 Ų162153.1 Ų153.185%0.84878%0.782SS**  trans-6996.1168.6-77.9172.8000108.7T337 Y341T337-L339 PolarHBondContact O-N 3.25Å; T337-L339 VanDerWaalsContact O-N 3.13Å; L339-Y341 PolarHBondContact O-N 3.31Å
340Q50.4Low48.4Very low183 Ų183154.7 Ų154.786%0.85578%0.784SS**  trans-65.697.4168.5-71.2-176.5-17.300109.1P338 N342P338-Q340 PolarHBondContact O-N 3.49Å; Q340-N342 PolarHBondContact O-N 3.34Å
341Y46.9Very low48.2Very low198 Ų198153.5 Ų153.578%0.77678%0.779SS**  trans-66.2123.6163.4-110.4-102.5000108.5L339L339-Y341 PolarHBondContact O-N 3.31Å
342N48Very low48.1Very low126 Ų126151 Ų15167%0.67478%0.777SS**  trans-108.474.5-172.4-167.9-3.3000108.9Q340 K344Q340-N342 PolarHBondContact O-N 3.34Å; N342-K344 VanDerWaalsContact C-N 3.25Å; N342-K344 PolarHBondContact O-N 3.2Å
343D51.2Low47.3Very low130 Ų130151.2 Ų151.270%0.69578%0.781SS**  trans-73.574.6-172.3-67.6-35.1000112.2Y345D343-Y345 VanDerWaalsContact C-N 3.27Å; D343-Y345 PolarHBondContact O-N 3.06Å
344K47.5Very low46.8Very low166 Ų166149.5 Ų149.572%0.72279%0.785SS**  trans-80.459.6175.8-81.5-167.8168-170.50113.3N342N342-K344 VanDerWaalsContact C-N 3.25Å; N342-K344 PolarHBondContact O-N 3.2Å
345Y54.1Low46.7Very low218 Ų218142.4 Ų142.486%0.85578%0.781SS**  trans-141.875.1163.2-76.5-67.8000111.9D343D343-Y345 VanDerWaalsContact C-N 3.27Å; D343-Y345 PolarHBondContact O-N 3.06Å
346N40.6Very low46.5Very low166 Ų166144.5 Ų144.589%0.88879%0.789SS**  trans-112.189.5162-93.8-40000108.8
347S41.9Very low46.3Very low107 Ų107149.3 Ų149.375%0.74880%0.797SS**  trans-11595.8172.8-65.70000109.5L349S347-L349 PolarHBondContact O-N 3.43Å
348L39.9Very low45.5Very low160 Ų160148.2 Ų148.284%0.83879%0.794SS**  trans4.4106.8145.5-69.6156.5000115.8
349L43.5Very low45Very low184 Ų184149 Ų14996%0.96380%0.802SS**  trans-144.7100.5144.1-135.2111.3000108.7S347S347-L349 PolarHBondContact O-N 3.43Å
350S43Very low44.8Very low93 Ų93144.9 Ų144.965%0.6580%0.798SS**  trans-118109.7177.453.70000108.7
351D42Very low44.7Very low150 Ų150144.5 Ų144.580%0.80280%0.8SS**  trans-163.2119.1156.1-87.9-39.5000105.6
352C42.3Very low44.6Very low120 Ų120144.5 Ų144.581%0.81181%0.807SS**  68.891.777.9-64.10000112.8
353D44.3Very low44.1Very low159 Ų159144 Ų14485%0.8581%0.814SS**  -161.6-176101.1-147.2-24000111
354S41.8Very low44.4Very low108 Ų108144.5 Ų144.576%0.75582%0.821SS**  trans-125.3157-166.360.70000112.2
355G45.8Very low44Very low76 Ų76139.8 Ų139.878%0.78482%0.819SS**  trans-177.2113.2178.200000113.7
356F44.6Very low44Very low186 Ų186139.1 Ų139.182%0.81682%0.821SS**  trans-79.6152.1171.4-79.9-111000111
357F44.2Very low44Very low210 Ų210137.8 Ų137.892%0.92182%0.819SS**  -173165.4108.4-97.2-64.5000111.5
358S39.8Very low44.6Very low99 Ų99139 Ų13969%0.69282%0.824SS**  trans-123-179.8-158.8-51.10000114.3
359S43.9Very low45.1Very low129 Ų129138.9 Ų138.990%0.90283%0.825SS**  trans87.1145.3163.680.70000117.6
360G45.6Very low44.9Very low74 Ų74133.5 Ų133.576%0.76381%0.807SS**  trans162.816.9-178.100000119.2
361I47.5Very low45.1Very low176 Ų176135.8 Ų135.890%0.90381%0.812SS**  trans-142122.5169.26.1175.2000111.3
362Q46Very low45.6Very low198 Ų198136.6 Ų136.693%0.92582%0.816SS**  trans-102.3151.4168.4-78.8-174.7-14.800110.3
363S37Very low45.4Very low115 Ų115137.6 Ų137.680%0.80482%0.818SS**  trans-102.9149.7178.5-176.70000111.1
364V57.6Low45.7Very low141 Ų141137 Ų13786%0.85582%0.82SS**  trans-138.1114.7158.2-1040000107.8
365G39.4Very low45.8Very low66 Ų66134.6 Ų134.668%0.6881%0.812SS**  trans-124.1153175.800000110.6
366F53.1Low45.8Very low205 Ų205138.8 Ų138.890%0.89982%0.822SS**  trans-131.1131.7172.9-81.6-82.8000109.8
367T40.6Very low45.9Very low138 Ų138133.2 Ų133.285%0.84782%0.817SS**  trans-124.9140.3173.947.10000109.7
368P55Low45.8Very low131 Ų131133.2 Ų133.285%0.85181%0.811SS**PPolyproline II helixtrans-101.6146.3157.5-3.223.7000110.8
369N51.2Low46.3Very low159 Ų159135.4 Ų135.485%0.8582%0.82SS**PPolyproline II helixtrans-92161.7179.3-16816.2000111.8
370A39.3Very low46.2Very low70 Ų70134.8 Ų134.858%0.57981%0.807SS**PPolyproline II helixtrans-83.3155.4173.300000112.5
371N46.5Very low46.7Very low141 Ų141139.4 Ų139.475%0.75481%0.813SS**  trans157.7117.3133.8-81.5-20.1000111.8
372N51.9Low46.3Very low168 Ų168136.1 Ų136.190%0.89881%0.805SS**  -177.1153.7120.4-93.1-23.9000111.4
373V38.8Very low46.5Very low141 Ų141133.4 Ų133.486%0.85580%0.796SS**  trans-124.5137-173.8172.40000110
374V50.5Low46.7Very low145 Ų145135 Ų13588%0.87980%0.795SS**  trans170.6141.4154.9144.20000106.1
375G44.2Very low46Very low58 Ų58132.7 Ų132.760%0.59879%0.785SS**  cis148.9146.1-2.700000110.8
376V45.4Very low46.3Very low164 Ų164135.1 Ų135.199%0.99479%0.787SS**  trans71.5140.1-179.7-168.30000113.9
377G46.6Very low46.1Very low69 Ų69134 Ų13471%0.71178%0.784SS**  cis-164.2174.5-0.700000113.2
378R41.7Very low45.9Very low211 Ų211133 Ų13380%0.79678%0.781SS**  trans-88.8156.6-175.1-60.7164.371.3163.45.7112.7D380R378-D380 IonicContact CZ-OD2 2.79Å; R378-D380 IonicContact NE-OD2 3.66Å; R378-D380 PolarHBondContact NE-OD2 2.72Å; R378-D380 VanDerWaalsContact NE-OD2 3.07Å; R378-D380 IonicContact NH2-OD2 3.8Å; R378-D380 PolarHBondContact NH2-OD2 3.14Å
379T51.4Low45.5Very low144 Ų144133.6 Ų133.688%0.88378%0.783SS**  trans-148.9125.1133.78.10000110.4
380D41.2Very low45Very low117 Ų117133 Ų13363%0.62678%0.78SS**  trans-99.8136.8175.2-58.9-72.4000109.2R378R378-D380 IonicContact CZ-OD2 2.79Å; R378-D380 IonicContact NE-OD2 3.66Å; R378-D380 PolarHBondContact NE-OD2 2.72Å; R378-D380 VanDerWaalsContact NE-OD2 3.07Å; R378-D380 IonicContact NH2-OD2 3.8Å; R378-D380 PolarHBondContact NH2-OD2 3.14Å
381I56.1Low45.1Very low171 Ų171136.9 Ų136.988%0.87779%0.79SS**  trans-135.9132.8161.5-56.1-178.3000108.1
382S38.8Very low45Very low107 Ų107139.7 Ų139.775%0.74879%0.791SS**  trans-124.8-165-176.8-171.50000109.9
383I51.2Low44.4Very low141 Ų141136.1 Ų136.172%0.72378%0.78SS**  trans102.497.8164.7-58.9168.7000115.1
384D40.2Very low44.5Very low148 Ų148135.6 Ų135.679%0.79178%0.776SS**  62.1155.2123.3-60.2-7.1000121.5
385S42.5Very low44.1Very low93 Ų93135.9 Ų135.965%0.6577%0.773SS**  cis-173.5157.3-15.5171.90000109.4
386V47Very low43.9Very low117 Ų117139.1 Ų139.171%0.70978%0.781SS**  trans43.6124.9150.1168.70000118.1
387Q47.6Very low44Very low180 Ų180136.9 Ų136.984%0.84177%0.773SS**  -169.816267.4-153.9149.647.700113.4
388C36.2Very low43.6Very low117 Ų117141.2 Ų141.279%0.79178%0.779SS**  trans-101.6146.9170.1-56.80000111.7
389T46.9Very low43.8Very low145 Ų145136.9 Ų136.989%0.8978%0.776SS**  trans-156.6144150.314.30000110.7
390D40.8Very low43.5Very low147 Ų147136.4 Ų136.479%0.78677%0.768SS**  trans-83.6172.6-178.2-60.4-83.7000114.4
391L42.4Very low43.4Very low150 Ų150139.5 Ų139.579%0.78578%0.779SS**  trans133.5121.2130.7-64.9-177.2000116.2
392Y42.6Very low42.7Very low201 Ų201142.3 Ų142.379%0.78878%0.779SS**  trans67.3101.3141.2-81.2-111000122.2
393S40.9Very low42.8Very low93 Ų93144.1 Ų144.165%0.6578%0.78SS**  73.5129.5109-62.20000122.7
394V40.7Very low42.3Very low130 Ų130142.5 Ų142.579%0.78878%0.78SS**  trans69.9120.1149.5176.40000114.9
395N41.7Very low42.2Very low150 Ų150142.5 Ų142.580%0.80278%0.78SS**  -156.217953.2-143.2-22.4000114.8
396V40.7Very low42.3Very low127 Ų127143.9 Ų143.977%0.7779%0.785SS**  trans-90.4131.1-173.1178.90000113.7
397S45.8Very low41.9Very low117 Ų117147.2 Ų147.282%0.81879%0.79SS**  trans-143.4137.7157.8-61.60000111.1
398N38.4Very low41.8Very low160 Ų160146.2 Ų146.286%0.85679%0.787SS**  trans-98.2124-172.5176.825.2000111.8
399T46.4Very low41.6Very low119 Ų119145.6 Ų145.673%0.7378%0.784SS**  trans-149.3121.8170.9-300000114.6
400D45.7Very low41.3Very low134 Ų134142.8 Ų142.872%0.71777%0.769SS**  trans18.2101.5155.1-55.7-35.4000121.9R402D400-R402 PolarHBondContact O-N 2.99Å
401Q38.1Very low41.2Very low183 Ų183144 Ų14486%0.85577%0.772SS**  26.894.6111.7-171.4175.389.700117.3
402R42.4Very low41Very low229 Ų229141.8 Ų141.886%0.86477%0.77SS**  trans-131.1130.4153.4-76.5-169.4173.1-177-0.9111.4D400 C404D400-R402 PolarHBondContact O-N 2.99Å; R402-C404 PolarHBondContact O-N 3.34Å
403N40.4Very low40.8Very low146 Ų146137.5 Ų137.578%0.78177%0.769SS**  trans-74.6118.4178.5-68.8-11.7000110.8
404C41.8Very low41Very low107 Ų107141.2 Ų141.272%0.72378%0.78SS**  trans-108.386.5169-680000110R402 V406R402-C404 PolarHBondContact O-N 3.34Å; C404-V406 VanDerWaalsContact C-N 3.28Å; C404-V406 PolarHBondContact O-N 3.02Å
405N37.6Very low41Very low147 Ų147138.9 Ų138.979%0.78678%0.775SS**  trans-72.180.4172.3-74.1-9.4000110.3F407N405-F407 PolarHBondContact O-N 3.38Å
406V44.3Very low41.2Very low123 Ų123137.9 Ų137.975%0.74578%0.777SS**  trans-77.5111.8175.4-178.90000109.7C404 M408C404-V406 VanDerWaalsContact C-N 3.28Å; C404-V406 PolarHBondContact O-N 3.02Å; V406-M408 PolarHBondContact O-N 3.2Å
407F38.3Very low41.4Very low187 Ų187137.2 Ų137.282%0.8278%0.778SS**  trans-63.8114170.5-94.1-112.6000110.6N405 S409N405-F407 PolarHBondContact O-N 3.38Å; F407-S409 PolarHBondContact O-N 3Å
408M44.9Very low41.1Very low158 Ų158137.2 Ų137.278%0.77878%0.778SS**  trans-87.886.8160-77.7-136.38000110.6V406 C410V406-M408 PolarHBondContact O-N 3.2Å; M408-C410 PolarHBondContact O-N 3.2Å
409S33.7Very low41.3Very low104 Ų104137.8 Ų137.873%0.72778%0.78SS**  trans-69.794.3164.9-70.10000110.4F407F407-S409 PolarHBondContact O-N 3Å
410C40.8Very low40.9Very low87 Ų87137.1 Ų137.159%0.58878%0.78SS**  trans-10680.7174.9-66.70000111.1M408 S412M408-C410 PolarHBondContact O-N 3.2Å; C410-S412 PolarHBondContact O-N 3.26Å
411M37.1Very low41.1Very low172 Ų172136.7 Ų136.785%0.84779%0.786SS**  trans-69.992.6173.2-72.1-96.477.800110.7S413M411-S413 PolarHBondContact O-N 3.41Å; M411-S413 VanDerWaalsContact O-N 3.13Å
412S39.7Very low41.4Very low104 Ų104134.6 Ų134.673%0.72778%0.781SS**  trans-85.474.5174.4-63.60000111.2C410 L414C410-S412 PolarHBondContact O-N 3.26Å; S412-L414 PolarHBondContact O-N 2.81Å
413S38Very low41.9Very low111 Ų111131 Ų13178%0.77678%0.778SS**  trans-74.686.817756.30000111.6M411 A415M411-S413 PolarHBondContact O-N 3.41Å; M411-S413 VanDerWaalsContact O-N 3.13Å; S413-A415 VanDerWaalsContact C-N 3.33Å; S413-A415 PolarHBondContact O-N 2.84Å
414L43.5Very low42.3Very low170 Ų170132.6 Ų132.689%0.8978%0.781SS**  trans-73.382.8173.2-80.5162.3000111.2S412S412-L414 PolarHBondContact O-N 2.81Å
415A41.1Very low42.9Very low82 Ų82135.3 Ų135.368%0.67879%0.787SS**  trans-74.7135.5163.900000109.8S413 S417S413-A415 VanDerWaalsContact C-N 3.33Å; S413-A415 PolarHBondContact O-N 2.84Å; A415-S417 PolarHBondContact O-N 2.77Å
416P47.5Very low43.4Very low128 Ų128133.4 Ų133.483%0.83179%0.786SS**  trans-76.7112.9179.530-32.9000110.8S418P416-S418 PolarHBondContact O-N 2.78Å
417S42.8Very low43.6Very low113 Ų113132.1 Ų132.179%0.7979%0.788SS**  trans-70.4117.5170.636.60000110.6A415 L419A415-S417 PolarHBondContact O-N 2.77Å; S417-L419 PolarHBondContact O-N 2.9Å
418S39.6Very low44.1Very low118 Ų118132.3 Ų132.383%0.82579%0.789SS**  trans-71.8108.717853.50000111.2P416 S420P416-S418 PolarHBondContact O-N 2.78Å; S418-S420 PolarHBondContact O-N 2.82Å
419L44Very low44.3Very low172 Ų172130.1 Ų130.190%0.90179%0.789SS**  trans-88.9102.2165.1-73.4176000109.7S417S417-L419 PolarHBondContact O-N 2.9Å
420S37.9Very low45.4Very low104 Ų104131.1 Ų131.173%0.72779%0.791SS**  trans-83.2126.5158.3178.10000108.8S418S418-S420 PolarHBondContact O-N 2.82Å
421C49.4Very low46.4Very low125 Ų125132.9 Ų132.985%0.84580%0.801SS**  trans-174.4129.2144.3-94.30000108
422D44.1Very low47.5Very low140 Ų140130.5 Ų130.575%0.74980%0.796SS**  trans-69135.5170.7-55.5-95.5000110.8
423D53.2Low48.5Very low152 Ų152130.1 Ų130.181%0.81380%0.799SS**  trans-163.2128.5134.4-121.8-28.3000111.4
424H48.9Very low49.4Very low181 Ų181135.9 Ų135.984%0.83880%0.804SS**  trans-106.492.2-175.9-74-64.4000111.6
425L53.4Low49.8Very low163 Ų163133.3 Ų133.385%0.85380%0.8SS**  trans-123.2132.1169.2-71.9177.6000113.1A427L425-A427 PolarHBondContact O-N 2.9Å
426S49.5Very low50.3Low108 Ų108132.9 Ų132.976%0.75580%0.804SS**  trans-79.5117.6-170.7-177.20000112.5F428S426-F428 PolarHBondContact O-N 2.87Å
427A48.9Very low50.7Low95 Ų95135.3 Ų135.379%0.78581%0.809SS**  trans-97.540.2-179.900000113.8L425L425-A427 PolarHBondContact O-N 2.9Å
428F48.5Very low51.3Low191 Ų191134.6 Ų134.684%0.83881%0.809SS**  trans-12575.5172.6-80-74.6000111.9S426S426-F428 PolarHBondContact O-N 2.87Å
429S48.7Very low51.8Low113 Ų113132.8 Ų132.879%0.7981%0.81SS**  trans-133.2102168.2-76.30000109.7
430V55.9Low51.8Low125 Ų125133 Ų13376%0.75881%0.808SS**  trans-83.1123.8176.1178.90000108.9V432V430-V432 PolarHBondContact O-N 2.83Å; V430-V432 VanDerWaalsContact O-N 3.12Å
431P62Low52.6Low124 Ų124135.5 Ų135.581%0.80581%0.813SS**  trans-71.3108.1177.628-33.3000110.7A433P431-A433 PolarHBondContact O-N 2.95Å
432V61.4Low52.6Low122 Ų122139.7 Ų139.774%0.73982%0.818SS**  trans-81.498.6172.3179.20000109.2V430 R434V430-V432 PolarHBondContact O-N 2.83Å; V430-V432 VanDerWaalsContact O-N 3.12Å; V432-R434 HydrophobicContact CG1-CG 4.37Å; V432-R434 PolarHBondContact O-N 3.33Å; V432-R434 VanDerWaalsContact O-N 3.11Å
433A60.5Low52.5Low96 Ų96138.3 Ų138.379%0.79382%0.818SS**  trans-67.6105.2172.400000110.6P431P431-A433 PolarHBondContact O-N 2.95Å
434R56.4Low52.5Low232 Ų232138 Ų13888%0.87582%0.822SS**  trans-88.6105.5170.2-63-177.482.1176.66.1109.3V432 G436V432-R434 HydrophobicContact CG1-CG 4.37Å; V432-R434 PolarHBondContact O-N 3.33Å; V432-R434 VanDerWaalsContact O-N 3.11Å; R434-G436 PolarHBondContact O-N 3.48Å
435S52Low52.1Low115 Ų115132.2 Ų132.280%0.80481%0.811SS**  trans-62.7117.7170.5-56.80000110.4
436G51.9Low52.1Low74 Ų74132.4 Ų132.476%0.76381%0.812SS**  trans-80.7123.6173.500000111.4R434 A438R434-G436 PolarHBondContact O-N 3.48Å; G436-A438 PolarHBondContact O-N 3.24Å
437L54.7Low52Low178 Ų178134.8 Ų134.893%0.93281%0.811SS**  trans-75.4110.9162.8-93.374.1000108.8
438A55.8Low52Low98 Ų98135.5 Ų135.581%0.8181%0.807SS**  trans-94106.4164.600000108.9G436 M440G436-A438 PolarHBondContact O-N 3.24Å; A438-M440 PolarHBondContact O-N 2.93Å
439G50.5Low52.4Low81 Ų81133.6 Ų133.684%0.83581%0.811SS**  trans-71.3120.7176.400000111.5
440M45Very low52.2Low176 Ų176133.5 Ų133.587%0.86781%0.811SS**  trans-63.6146.5169.3-60.9159.364.200110.4A438A438-M440 PolarHBondContact O-N 2.93Å
441N53.2Low51.8Low156 Ų156134.4 Ų134.483%0.83482%0.816SS**  trans171.5105142.5-91.2-29.9000113.1
442K49.2Very low51.2Low214 Ų214132.1 Ų132.193%0.9382%0.815SS**  177.9160.7126.1-95.4160.4-173.4-179.70111
443S43.7Very low50.4Low110 Ų110136 Ų13677%0.76983%0.825SS**  trans-120.2-165.1-164.657.40000112.5
444V52Low50.1Low147 Ų147135 Ų13589%0.89182%0.824SS**  trans84.2128.1-176.1-1710000113.6
445G41.4Very low49.7Very low58 Ų58131.7 Ų131.760%0.59882%0.816SS**  cis158.2149-10.300000113.8
446L53.6Low50.1Low168 Ų168133 Ų13388%0.8882%0.819SS**  trans67.5155.2177.3-43.9176.5000113.9
447H46.9Very low50.1Low158 Ų158135 Ų13573%0.73181%0.812SS**  cis-149.7144-0.9-155-74.3000109.5
448P47.9Very low50.2Low109 Ų109134.2 Ų134.271%0.70881%0.808SS**  trans-97.5163.1172.536.7-33.5000113.3
449T57.2Low49.6Very low151 Ų151133.4 Ų133.493%0.92680%0.802SS**  trans-141.8164.4165.815.10000110.2
450S44.4Very low49.8Very low112 Ų112139.3 Ų139.378%0.78381%0.805SS**  trans-144177.6-156-171.70000113.6
451V47.2Very low49.9Very low143 Ų143136.6 Ų136.687%0.86780%0.798SS**  trans81.7131.3169.5-168.20000116.3
452G51.2Low49.7Very low76 Ų76135.2 Ų135.278%0.78480%0.795SS**  trans171.257.9177.200000114.1
453H43.8Very low49.4Very low204 Ų204131.1 Ų131.194%0.94478%0.783SS**  trans-75.5136176-109.9-70.7000111.6
454G54.2Low49.4Very low74 Ų74131.3 Ų131.376%0.76378%0.784SS**  trans-147.1134.5168.100000110.1
455K47.6Very low49.5Very low164 Ų164132.3 Ų132.371%0.71378%0.783SS**  trans-130.4127.9-174.2-174.3-167.7-179.8-137.50109.4D457K455-D457 WeakPolarHBondContact CE-OD2 3.35Å; K455-D457 IonicContact NZ-OD1 3.83Å; K455-D457 IonicContact NZ-OD2 2.68Å; K455-D457 PolarHBondContact NZ-OD2 2.88Å
456V61.8Low49.4Very low143 Ų143134 Ų13487%0.86779%0.786SS**  trans-139.4115.1170.1-165.90000108.4
457D51.9Low49Very low116 Ų116131.8 Ų131.862%0.6278%0.783SS**  trans-92.1141.6168.7-54.2-64.3000108.1K455K455-D457 WeakPolarHBondContact CE-OD2 3.35Å; K455-D457 IonicContact NZ-OD1 3.83Å; K455-D457 IonicContact NZ-OD2 2.68Å; K455-D457 PolarHBondContact NZ-OD2 2.88Å
458N55.7Low48.9Very low160 Ų160129 Ų12986%0.85678%0.777SS**  trans-154.9136.2156.7-141.12.4000111.1
459A42.4Very low48.6Very low82 Ų82133.2 Ų133.268%0.67879%0.787SS**  trans-105.7150.5-178.200000110.9
460F56.3Low47.9Very low204 Ų204129.3 Ų129.390%0.89578%0.777SS**  trans-134.8130.8162.1-115.8-88.7000110.3
461V45.4Very low47.9Very low119 Ų119131.4 Ų131.472%0.72178%0.779SS**  trans-109.5145.8172.3174.30000106.8
462V50.1Low47.7Very low127 Ų127131.8 Ų131.877%0.7777%0.774SS**  trans-177.7113.6141.9142.90000110.5
463D43.3Very low47.2Very low129 Ų129134.4 Ų134.469%0.6978%0.781SS**  trans33.3136.7140-51.9-36.1000125.2
464S43Very low47.1Very low113 Ų113130 Ų13079%0.7977%0.773SS**  trans70.8155.3141.8-66.30000118.1
465I53.9Low46.5Very low168 Ų168131.6 Ų131.686%0.86277%0.772SS**  cis-133.1158.528.2-67.3163.1000111.9
466S39Very low46.4Very low94 Ų94129.8 Ų129.866%0.65778%0.775SS**  trans-107.9139.4179.2174.80000113.3
467C45.9Very low45.4Very low122 Ų122127 Ų12782%0.82478%0.775SS**  trans-156.8101.1157.4-87.60000107.6
468T44.3Very low45.3Very low98 Ų98127.8 Ų127.860%0.60178%0.784SS**  72.2103.165.267.70000117.2
469Q42.6Very low44.7Very low198 Ų198125.7 Ų125.793%0.92578%0.782SS**  trans70.3148.7141-65.9172-46.300121.1
470G42.5Very low44.9Very low69 Ų69127 Ų12771%0.71179%0.786SS**  trans144.345.3-177.400000114.1
471L44.9Very low44.6Very low156 Ų156126 Ų12682%0.81778%0.784SS**  59.894.3109-69.8178.7000117.1
472I41.6Very low44.8Very low151 Ų151126.8 Ų126.877%0.77479%0.789SS**  trans26.4118.8131.9-48169.5000117.5
473S41.8Very low45Very low131 Ų131127.6 Ų127.692%0.91679%0.788SS**  trans-151.7136.9141.5-84.10000110.9
474S40.2Very low45.2Very low112 Ų112126.1 Ų126.178%0.78379%0.788SS**  trans-123.7134.6-173.256.80000111.3
475S42.2Very low45.5Very low107 Ų107126.6 Ų126.675%0.74879%0.786SS**  trans-153130.7162.359.60000113.2
476T45.9Very low45.5Very low127 Ų127127.4 Ų127.478%0.77978%0.783SS**  trans38.6101149.353.20000118.4
477G40.1Very low46.7Very low83 Ų83129.8 Ų129.886%0.85679%0.789SS**  trans-69.3149.6159.200000112.1
478V49.7Very low47.7Very low133 Ų133129 Ų12981%0.80678%0.782SS**  trans-117.4138.3167.9-73.10000109.1S480V478-S480 PolarHBondContact O-N 2.85Å
479S44.4Very low48.7Very low117 Ų117130.1 Ų130.182%0.81879%0.789SS**  trans-66.1118.1-17652.40000111.4
480S46.4Very low49.9Very low108 Ų108127.9 Ų127.976%0.75578%0.78SS**  trans-79.8118.5165.6-64.20000109.2V478 T482V478-S480 PolarHBondContact O-N 2.85Å; S480-T482 PolarHBondContact O-N 3.06Å; S480-T482 VanDerWaalsContact O-N 3.13Å
481E49.6Very low51Low185 Ų185135.6 Ų135.686%0.86479%0.788SS**  trans-69.4105.5169.7-75.8-171.7113.900109.5I483E481-I483 PolarHBondContact O-N 3.25Å
482T49.5Very low52.2Low135 Ų135138.2 Ų138.283%0.82879%0.787SS**  trans-70.694.5176.3-37.80000109.8S480 S484S480-T482 PolarHBondContact O-N 3.06Å; S480-T482 VanDerWaalsContact O-N 3.13Å; T482-S484 PolarHBondContact O-N 3.03Å
483I53.6Low53.4Low143 Ų143136.2 Ų136.273%0.73378%0.784SS**  trans-65101.3176.5-56.6-179.8000109E481 T485E481-I483 PolarHBondContact O-N 3.25Å; I483-T485 VanDerWaalsContact C-N 3.31Å; I483-T485 HydrophobicContact CG2-CG2 3.97Å; I483-T485 PolarHBondContact O-N 2.93Å
484S47.4Very low54.5Low99 Ų99140.9 Ų140.969%0.69278%0.783SS**  trans-7479179.4-172.20000111.2T482 K486T482-S484 PolarHBondContact O-N 3.03Å; S484-K486 PolarHBondContact O-N 3.26Å
485T49.8Very low55.4Low123 Ų123141.8 Ų141.876%0.75578%0.778SS**  trans-74.677171.856.90000110I483 D487I483-T485 VanDerWaalsContact C-N 3.31Å; I483-T485 HydrophobicContact CG2-CG2 3.97Å; I483-T485 PolarHBondContact O-N 2.93Å; T485-D487 VanDerWaalsContact C-N 3.31Å; T485-D487 PolarHBondContact O-N 3.31Å
486K54.8Low55.7Low185 Ų185147.2 Ų147.280%0.80480%0.799SS**  trans-84.52.9-171.4-143.4179.9-178.5-175.30115.1S484S484-K486 PolarHBondContact O-N 3.26Å
487D64.1Low56.2Low144 Ų144148.3 Ų148.377%0.7780%0.8SS**SBendtrans-113.2125.7175.5-74.3-60000111.5T485 V489T485-D487 VanDerWaalsContact C-N 3.31Å; T485-D487 PolarHBondContact O-N 3.31Å; D487-V489 PolarHBondContact O-N 2.95Å
488P67.3Low57.1Low106 Ų106151.7 Ų151.769%0.68880%0.797SS**  trans-69.9127.4170.428.9-32.5000110.1M490P488-M490 VanDerWaalsContact C-N 3.31Å; P488-M490 PolarHBondContact O-N 2.82Å
489V65.3Low57.5Low121 Ų121152.7 Ų152.773%0.73380%0.796SS**  trans-68.788.4177.8-178.80000110D487 W491D487-V489 PolarHBondContact O-N 2.95Å; V489-W491 VanDerWaalsContact O-CD1 3.27Å; V489-W491 PolarHBondContact O-N 2.91Å
490M67.1Low58.3Low151 Ų151154.8 Ų154.874%0.74480%0.795SS**  trans-70.386.9178.4-77.6-70.2-75.500110.7P488 R492P488-M490 VanDerWaalsContact C-N 3.31Å; P488-M490 PolarHBondContact O-N 2.82Å; M490-R492 VanDerWaalsContact C-N 3.3Å; M490-R492 PolarHBondContact O-N 3.48Å
491W64.7Low59Low231 Ų231157.8 Ų157.888%0.87580%0.798SS**  trans-59.585.7171.9-75.692.5000111.6V489 P493V489-W491 VanDerWaalsContact O-CD1 3.27Å; V489-W491 PolarHBondContact O-N 2.91Å; W491-P493 VanDerWaalsContact O-CD 3.32Å; W491-P493 WeakPolarHBondContact O-CD 3.49Å
492R69.8Low59.6Low210 Ų210155.9 Ų155.979%0.79279%0.793SS**PPolyproline II helixtrans-71.9118.3168.7-71.4-172.8176-128.30.5109M490 Y494M490-R492 VanDerWaalsContact C-N 3.3Å; M490-R492 PolarHBondContact O-N 3.48Å; R492-Y494 PolarHBondContact O-N 3.1Å
493P67.2Low60.4Low110 Ų110157.4 Ų157.471%0.71479%0.791SS**PPolyproline II helixtrans-68120.8169.928.3-32.4000108.7W491 L495W491-P493 VanDerWaalsContact O-CD 3.32Å; W491-P493 WeakPolarHBondContact O-CD 3.49Å; P493-L495 PolarHBondContact O-N 3.13Å
494Y66.3Low60.9Low229 Ų229158.5 Ų158.590%0.89880%0.795SS**PPolyproline II helixtrans-57.9131.5175.8-76.6-95.2000110.6R492R492-Y494 PolarHBondContact O-N 3.1Å
495L59.4Low62Low130 Ų130163.5 Ų163.568%0.68180%0.804SS**  trans-125.392.9175.7-76.8176.4000109.4P493P493-L495 PolarHBondContact O-N 3.13Å
496D48.4Very low63.1Low222 Ų222167.2 Ų167.2100%1.18781%0.808SS**  trans-117.40150.3-83.9-56.1000107.4

Retrieved 496 of 496 residues in 426.8 ms (Link to these results)