A0A5K4FA83_SCHMA Loading...

BHLH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FA83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 505 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
1M43.1Very low50.3Low240 Ų240165.8 Ų165.8100%1.18286%0.855SS**  0101.50-74.7170.4155.500108.9
2T49.7Very low50.7Low146 Ų146162 Ų16290%0.89684%0.837SS**  trans-15866.7-178.624.70000111.1
3G49.1Very low51Low80 Ų80156.4 Ų156.483%0.82582%0.817SS**  trans-74.3126.9172.600000111.4
4R54.5Low50.7Low233 Ų233154.9 Ų154.988%0.87981%0.811SS**  trans-95.8101.8-171.8-164.6-178.5-156.51707.4111.9
5I48.7Very low50.6Low155 Ų155157 Ų15780%0.79582%0.818SS**  trans-63.4135.8171.4-59.3171.4000109.9
6K56.6Low50Low170 Ų170155.2 Ų155.274%0.73982%0.816SS**  trans-16094.5157.7-115.5170.7-172.9-169.60114.3
7N50.2Low49.9Very low141 Ų141155.8 Ų155.875%0.75482%0.818SS**  trans63126.4139.2-54.110.9000120.6
8H46.7Very low49.3Very low189 Ų189153.9 Ų153.988%0.87581%0.814SS**  trans-70.7158.7163.4-69.9-105.8000112.6
9T60.2Low49.2Very low132 Ų132150.7 Ų150.781%0.8181%0.806SS**  trans-125148152.8490000109.5
10P49.4Very low48.6Very low127 Ų127150.4 Ų150.483%0.82580%0.804SS**  trans-84.3155.7-166.432.5-36.1000114.5
11Y44.7Very low48.3Very low211 Ų211150.1 Ų150.183%0.82780%0.802SS**  trans-70.1139.7174.8179.1-100.6000112.1P13Y11-P13 HydrophobicContact CE1-CB 4.02Å
12N55.8Low48.1Very low120 Ų120146 Ų14664%0.64279%0.791SS**  trans-127.2117.6176-177.1-23.2000109.2N14N12-N14 VanDerWaalsContact C-N 3.33Å; N12-N14 PolarHBondContact O-N 3.39Å; N12-N14 PolarHBondContact OD1-N 3.34Å
13P54.3Low47.8Very low89 Ų89145.3 Ų145.358%0.57878%0.78SS**  trans-81.60.2-168.732.2-36.2000115.5Y11 M15Y11-P13 HydrophobicContact CE1-CB 4.02Å; P13-M15 PolarHBondContact O-N 3.12Å
14N47.4Very low47.4Very low136 Ų136152.2 Ų152.273%0.72778%0.783SS**  trans-85.159.3-163.1-67.2-11.6000115.2N12N12-N14 VanDerWaalsContact C-N 3.33Å; N12-N14 PolarHBondContact O-N 3.39Å; N12-N14 PolarHBondContact OD1-N 3.34Å
15M48.3Very low46.8Very low186 Ų186143.8 Ų143.892%0.91677%0.769SS**  trans-126.880.2164.7-81.6-154.4-175.900112.8P13P13-M15 PolarHBondContact O-N 3.12Å
16T40.9Very low46.7Very low128 Ų128144.5 Ų144.579%0.78577%0.774SS**  trans-100.194.2169.6-52.80000110.3
17I48.3Very low46.4Very low166 Ų166141.3 Ų141.385%0.85177%0.769SS**  trans-132.598.5161.5-58.3-176.5000108.9
18T40.4Very low46.5Very low122 Ų122142.1 Ų142.175%0.74877%0.773SS**  trans-88.4116.9178.6-50.70000110.8
19S46.4Very low46.8Very low93 Ų93139.8 Ų139.865%0.6577%0.766SS**  trans179.1108.8142.854.10000114
20N38.4Very low46.3Very low143 Ų143140.8 Ų140.877%0.76577%0.765SS**  53.2147.7123.7-49.8-2.5000122
21N41.3Very low46.6Very low145 Ų145140.2 Ų140.278%0.77576%0.759SS**  trans71.975.5166.6-63.4-2.2000117.8I23N21-I23 PolarHBondContact O-N 2.99Å
22T39.8Very low47.3Very low153 Ų153139.1 Ų139.194%0.93976%0.762SS**  trans-72.147.3172.2-33.60000113.9
23I43Very low47.1Very low132 Ų132140.4 Ų140.468%0.67777%0.768SS**SBendtrans-129.7111.9-173.3-64.8-178.1000110.9N21 G25N21-I23 PolarHBondContact O-N 2.99Å; I23-G25 PolarHBondContact O-N 3.48Å
24Y39.8Very low46.6Very low225 Ų225139.6 Ų139.688%0.88278%0.776SS**SBendtrans54.344.2171.9-61-65.3000118N26Y24-N26 PolarHBondContact O-N 3.3Å
25G42Very low47Very low57 Ų57142.3 Ų142.359%0.58878%0.781SS**  trans-85.5101.9168.700000114I23 T27I23-G25 PolarHBondContact O-N 3.48Å; G25-T27 PolarHBondContact O-N 3.08Å
26N46.1Very low47.1Very low169 Ų169145.3 Ų145.390%0.90478%0.783SS**  trans-73.960.9154.3-91.8-11.4000108.9Y24 L28Y24-N26 PolarHBondContact O-N 3.3Å; N26-L28 PolarHBondContact O-N 3.46Å
27T51.9Low47.8Very low104 Ų104149.9 Ų149.964%0.63879%0.785SS**  trans-70.298-171.1-53.80000109.8G25 L29G25-T27 PolarHBondContact O-N 3.08Å; T27-L29 HydrophobicContact CG2-CD2 3.84Å; T27-L29 HydrophobicContact CG2-CG 4.18Å; T27-L29 PolarHBondContact O-N 2.96Å
28L52.5Low48Very low157 Ų157145.6 Ų145.682%0.82278%0.783SS**  trans-64.784.6166-73.2170.2000108.5N26 I30N26-L28 PolarHBondContact O-N 3.46Å; L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 3.2Å
29L51.3Low49.1Very low140 Ų140151.2 Ų151.273%0.73379%0.79SS**  trans-63.897.8165.6-67.1179.7000107.6T27 T31T27-L29 HydrophobicContact CG2-CD2 3.84Å; T27-L29 HydrophobicContact CG2-CG 4.18Å; T27-L29 PolarHBondContact O-N 2.96Å; L29-T31 PolarHBondContact O-N 3.07Å
30I51Low49.9Very low153 Ų153156 Ų15679%0.78580%0.799SS**  trans-69.678.9173.8-55.8177.8000107.5L28 Q32L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 3.2Å; I30-Q32 PolarHBondContact O-N 3.22Å
31T55.2Low51Low116 Ų116154.4 Ų154.471%0.71280%0.796SS**  trans-63.4129.6166.252.50000107.7L29 N33L29-T31 PolarHBondContact O-N 3.07Å; T31-N33 PolarHBondContact O-N 3.09Å
32Q59.7Low51.9Low188 Ų188149.3 Ų149.388%0.87978%0.778SS**SBendtrans-69.5-6.2-161.8-63.8172.7-4.800113.9I30I30-Q32 PolarHBondContact O-N 3.22Å
33N50.9Low52.9Low146 Ų146148.9 Ų148.978%0.78177%0.77SS**SBendtrans-10851.6-168.9-69.2-12.3000114.6T31 K35T31-N33 PolarHBondContact O-N 3.09Å; N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 3.13Å
34G44.9Very low53.9Low72 Ų72148.9 Ų148.974%0.74277%0.771SS**  trans60.3-19.8140.900000122.4R36G34-R36 PolarHBondContact O-N 3.09Å
35K55.4Low55.3Low193 Ų193140.8 Ų140.884%0.83975%0.747SS**  trans-85.980.3-170.5-75.5-177.2176.3175.30112.3N33 R37N33-K35 VanDerWaalsContact C-N 3.27Å; N33-K35 PolarHBondContact O-N 3.13Å; K35-R37 PolarHBondContact O-N 3.42Å
36R49.3Very low57.3Low250 Ų250140.4 Ų140.494%0.94373%0.733SS**  trans-59.577.5166.6-76.2-176.4166.1-178.2-3.7111.7G34 G38G34-R36 PolarHBondContact O-N 3.09Å; R36-G38 PolarHBondContact O-N 3.22Å; R36-G38 VanDerWaalsContact O-N 3.08Å
37R55.8Low59.5Low223 Ų223136.6 Ų136.684%0.84272%0.716SS**  trans-66.2106.5166.2-70.6-169.4-179.8-160.71.4108.3K35 R39K35-R37 PolarHBondContact O-N 3.42Å; R37-R39 VanDerWaalsContact C-N 3.29Å; R37-R39 PolarHBondContact O-N 3.11Å
38G53Low61.4Low77 Ų77134.5 Ų134.579%0.79471%0.709SS**  trans-63.286.317500000111.3R36 K40R36-G38 PolarHBondContact O-N 3.22Å; R36-G38 VanDerWaalsContact O-N 3.08Å; G38-K40 PolarHBondContact O-N 3.2Å
39R63.2Low63.3Low240 Ų240133.5 Ų133.591%0.90670%0.7SS**  trans-63.1108.3166.8-72-177.8173.6176.1-2.3106.8R37R37-R39 VanDerWaalsContact C-N 3.29Å; R37-R39 PolarHBondContact O-N 3.11Å
40K62.9Low65.3Low194 Ų194134.8 Ų134.884%0.84370%0.695SS**  trans-44.3134.5166.4-71.7-177.4176.5-179.20107.8G38 G42G38-K40 PolarHBondContact O-N 3.2Å; K40-G42 PolarHBondContact O-N 3.19Å
41P61.8Low67.4Low108 Ų108131 Ų13170%0.70168%0.682SS**  trans-57103172.7-24.134.4000108.9
42G60.2Low69.3Low38 Ų38127.4 Ų127.439%0.39267%0.665SS.*  trans-61.2143.4175.400000108.2K40 N44 S45K40-G42 PolarHBondContact O-N 3.19Å; G42-N44 PolarHBondContact O-N 2.93Å; G42-S45 WeakPolarHBondContact O-CB 3.38Å; G42-S45 PolarHBondContact O-N 3.35Å; G42-S45 PolarHBondContact O-OG 3.35Å
43L62.2Low71.1Confident145 Ų145120.1 Ų120.176%0.75964%0.637SS**Hα-helixtrans-51.7-35.9-176.6-64.8164.5000111.4S45 T46 V47L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.02Å; L43-T46 WeakPolarHBondContact O-CB 3.5Å; L43-T46 PolarHBondContact O-N 3.42Å; L43-T46 PolarHBondContact O-OG1 3.35Å; L43-V47 PolarHBondContact O-N 2.92Å
44N62.8Low73.3Confident132 Ų132117.5 Ų117.571%0.70662%0.623SS**Hα-helixtrans-49.9-38.5171.2-43.144.2000113.8G42 T46 V47 A48G42-N44 PolarHBondContact O-N 2.93Å; N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 2.79Å; N44-V47 PolarHBondContact O-N 2.98Å; N44-A48 PolarHBondContact O-N 3.42Å
45S69.8Low75.8Confident54 Ų54116.2 Ų116.238%0.37861%0.605SS.*Hα-helixtrans-68.5-30.8179.675.30000111.8G42 L43 Q49G42-S45 WeakPolarHBondContact O-CB 3.38Å; G42-S45 PolarHBondContact O-N 3.35Å; G42-S45 PolarHBondContact O-OG 3.35Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.02Å; S45-Q49 WeakPolarHBondContact O-CB 3.27Å; S45-Q49 PolarHBondContact O-N 2.94Å
46T84.7Confident77.8Confident49 Ų49114.6 Ų114.630%0.30159%0.594SS.*Hα-helixtrans-69.4-37.2173.377.30000111.2L43 N44 Q49 R50L43-T46 WeakPolarHBondContact O-CB 3.5Å; L43-T46 PolarHBondContact O-N 3.42Å; L43-T46 PolarHBondContact O-OG1 3.35Å; N44-T46 VanDerWaalsContact C-N 3.3Å; N44-T46 PolarHBondContact O-N 2.79Å; T46-Q49 PolarHBondContact O-N 3.29Å; T46-R50 WeakPolarHBondContact O-CB 3.4Å; T46-R50 WeakPolarHBondContact O-CG 3.15Å; T46-R50 PolarHBondContact O-N 3.12Å
47V91.1Very high80.2Confident90 Ų90106.7 Ų106.755%0.54557%0.568SS.*Hα-helixtrans-67.4-45.4175.2-177.30000110.7L43 N44 Q49 R50 S51L43-V47 PolarHBondContact O-N 2.92Å; N44-V47 PolarHBondContact O-N 2.98Å; V47-Q49 PolarHBondContact O-N 3.34Å; V47-R50 PolarHBondContact O-N 2.72Å; V47-S51 WeakPolarHBondContact O-CB 3.43Å; V47-S51 PolarHBondContact O-N 2.91Å
48A91.4Very high82.2Confident60 Ų60104.3 Ų104.350%0.49656%0.559SS.*Hα-helixtrans-61.9-42.2174.500000112.1N44 S51 A52N44-A48 PolarHBondContact O-N 3.42Å; A48-S51 PolarHBondContact O-N 3.12Å; A48-A52 WeakPolarHBondContact O-CB 3.37Å; A48-A52 PolarHBondContact O-N 3.14Å
49Q92.6Very high84.3Confident135 Ų135102.9 Ų102.963%0.63154%0.537SS*.Hα-helixtrans-64.4-41.4176.3-175.7-179.95.700112.2S45 T46 V47 A53S45-Q49 WeakPolarHBondContact O-CB 3.27Å; S45-Q49 PolarHBondContact O-N 2.94Å; T46-Q49 PolarHBondContact O-N 3.29Å; V47-Q49 PolarHBondContact O-N 3.34Å; Q49-A53 WeakPolarHBondContact O-CB 3.44Å; Q49-A53 PolarHBondContact O-N 3.33Å
50R94.2Very high86Confident167 Ų16797.8 Ų97.863%0.6352%0.517SS*.Hα-helixtrans-62.9-46.5172.4-73167.6-172.2178.34.1111.3T46 V47 A52 A53 N54T46-R50 WeakPolarHBondContact O-CB 3.4Å; T46-R50 WeakPolarHBondContact O-CG 3.15Å; T46-R50 PolarHBondContact O-N 3.12Å; V47-R50 PolarHBondContact O-N 2.72Å; R50-A52 PolarHBondContact O-N 2.92Å; R50-A53 PolarHBondContact O-N 3.1Å; R50-N54 WeakPolarHBondContact O-CB 3.35Å; R50-N54 PolarHBondContact O-N 3.27Å; R50-N54 PolarHBondContact O-OD1 2.91Å
51S95.5Very high87.7Confident73 Ų7391.1 Ų91.151%0.5149%0.49SS..Hα-helixtrans-60-46.2177.3-171.50000111.7V47 A48 A53 N54 A55V47-S51 WeakPolarHBondContact O-CB 3.43Å; V47-S51 PolarHBondContact O-N 2.91Å; A48-S51 PolarHBondContact O-N 3.12Å; S51-A53 VanDerWaalsContact C-N 3.35Å; S51-A53 PolarHBondContact O-N 3.15Å; S51-N54 PolarHBondContact O-N 3.21Å; S51-A55 WeakPolarHBondContact O-CB 3.17Å; S51-A55 PolarHBondContact O-N 3Å
52A94.7Very high89.5Confident41 Ų4193.7 Ų93.734%0.33949%0.486SS..Hα-helixtrans-64.5-35.3175.300000113A48 R50 R56A48-A52 WeakPolarHBondContact O-CB 3.37Å; A48-A52 PolarHBondContact O-N 3.14Å; R50-A52 PolarHBondContact O-N 2.92Å; A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 2.87Å
53A96Very high91.3Very high36 Ų3697 Ų9730%0.29850%0.498SS..Hα-helixtrans-66-46.1172.800000111.7Q49 R50 S51 A55 R56 E57Q49-A53 WeakPolarHBondContact O-CB 3.44Å; Q49-A53 PolarHBondContact O-N 3.33Å; R50-A53 PolarHBondContact O-N 3.1Å; S51-A53 VanDerWaalsContact C-N 3.35Å; S51-A53 PolarHBondContact O-N 3.15Å; A53-A55 VanDerWaalsContact C-N 3.3Å; A53-A55 PolarHBondContact O-N 3.27Å; A53-R56 PolarHBondContact O-N 3.05Å; A53-E57 WeakPolarHBondContact O-CB 3.31Å; A53-E57 PolarHBondContact O-N 3.44Å
54N97.9Very high93Very high90 Ų9093.3 Ų93.348%0.48148%0.479SS..Hα-helixtrans-62.8-36.7176.6-66-5000111.7R50 S51 E57 R58R50-N54 WeakPolarHBondContact O-CB 3.35Å; R50-N54 PolarHBondContact O-N 3.27Å; R50-N54 PolarHBondContact O-OD1 2.91Å; S51-N54 PolarHBondContact O-N 3.21Å; N54-E57 PolarHBondContact O-N 2.97Å; N54-R58 WeakPolarHBondContact O-CB 3.48Å; N54-R58 VanDerWaalsContact O-CG 3.22Å; N54-R58 WeakPolarHBondContact O-CG 3.34Å; N54-R58 PolarHBondContact O-N 3.29Å
55A97.8Very high94.6Very high46 Ų4689.6 Ų89.638%0.3846%0.463SS..Hα-helixtrans-65.3-43.617400000112.3S51 A53 S59S51-A55 WeakPolarHBondContact O-CB 3.17Å; S51-A55 PolarHBondContact O-N 3Å; A53-A55 VanDerWaalsContact C-N 3.3Å; A53-A55 PolarHBondContact O-N 3.27Å; A55-S59 PolarHBondContact O-N 3.01Å; A55-S59 VanDerWaalsContact O-N 3.09Å
56R98Very high95.9Very high159 Ų15988.8 Ų88.860%0.646%0.463SS*.Hα-helixtrans-61.1-45.8172.9-73.3-173.5-59.9-93.93.5111.7A52 A53 S59 R60A52-R56 WeakPolarHBondContact O-CG 3.49Å; A52-R56 PolarHBondContact O-N 2.87Å; A53-R56 PolarHBondContact O-N 3.05Å; R56-S59 CarbonylContact O-C 3.59Å; R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 WeakPolarHBondContact O-CB 3.5Å; R56-S59 PolarHBondContact O-N 2.88Å; R56-R60 PolarHBondContact O-N 3.48Å
57E98.2Very high96.5Very high84 Ų8488.9 Ų88.939%0.39347%0.469SS..Hα-helixtrans-65.7-42-179.2178.853.8-159.400112.3A53 N54 S59 R60 M61A53-E57 WeakPolarHBondContact O-CB 3.31Å; A53-E57 PolarHBondContact O-N 3.44Å; N54-E57 PolarHBondContact O-N 2.97Å; E57-S59 PolarHBondContact O-N 2.95Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE1-CZ 3.4Å; E57-R60 IonicContact OE1-NE 3.31Å; E57-R60 PolarHBondContact OE1-NE 2.96Å; E57-R60 IonicContact OE1-NH2 2.68Å; E57-R60 PolarHBondContact OE1-NH2 3.04Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 2.79Å; E57-R60 PolarHBondContact OE2-NE 3.33Å; E57-R60 IonicContact OE2-NH2 3.66Å; E57-M61 WeakPolarHBondContact O-CB 3.13Å; E57-M61 PolarHBondContact O-N 3.37Å; E57-M61 WeakPolarHBondContact OE1-CG 3.22Å
58R98.4Very high96.8Very high173 Ų17386.7 Ų86.765%0.65345%0.452SS*.Hα-helixtrans-57.7-35.4169.4-72.7167.3-176.3161.6-1.6112N54 R62N54-R58 WeakPolarHBondContact O-CB 3.48Å; N54-R58 VanDerWaalsContact O-CG 3.22Å; N54-R58 WeakPolarHBondContact O-CG 3.34Å; N54-R58 PolarHBondContact O-N 3.29Å; R58-R62 WeakPolarHBondContact O-CG 3.4Å; R58-R62 PolarHBondContact O-N 2.88Å
59S98.2Very high97Very high47 Ų4788.8 Ų88.833%0.32946%0.458SS..Hα-helixtrans-71.5-42.2176.1-150.10000112.6A55 R56 E57 M61 R62 V63A55-S59 PolarHBondContact O-N 3.01Å; A55-S59 VanDerWaalsContact O-N 3.09Å; R56-S59 CarbonylContact O-C 3.59Å; R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 WeakPolarHBondContact O-CB 3.5Å; R56-S59 PolarHBondContact O-N 2.88Å; E57-S59 PolarHBondContact O-N 2.95Å; S59-M61 VanDerWaalsContact C-N 3.31Å; S59-M61 PolarHBondContact O-N 2.95Å; S59-R62 VanDerWaalsContact CB-NH2 3.34Å; S59-R62 PolarHBondContact O-N 3.2Å; S59-R62 PolarHBondContact OG-NH1 3.13Å; S59-R62 PolarHBondContact OG-NH2 3.15Å; S59-V63 PolarHBondContact O-N 3.5Å
60R98.6Very high97.1Very high132 Ų13289.5 Ų89.550%0.49846%0.462SS..Hα-helixtrans-58.5-44.4172.4-168.4-168.270.779.91.3111.1R56 E57 V63 L64R56-R60 PolarHBondContact O-N 3.48Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-R60 IonicContact OE1-CZ 3.4Å; E57-R60 IonicContact OE1-NE 3.31Å; E57-R60 PolarHBondContact OE1-NE 2.96Å; E57-R60 IonicContact OE1-NH2 2.68Å; E57-R60 PolarHBondContact OE1-NH2 3.04Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 2.79Å; E57-R60 PolarHBondContact OE2-NE 3.33Å; E57-R60 IonicContact OE2-NH2 3.66Å; R60-V63 PolarHBondContact O-N 2.67Å; R60-L64 PolarHBondContact O-N 3.01Å
61M98.4Very high97.3Very high55 Ų5584.5 Ų84.527%0.27145%0.447SS..Hα-helixtrans-69-31.9177.7-75.1-55.1-48.800113.6E57 S59 L64 S65E57-M61 WeakPolarHBondContact O-CB 3.13Å; E57-M61 PolarHBondContact O-N 3.37Å; E57-M61 WeakPolarHBondContact OE1-CG 3.22Å; S59-M61 VanDerWaalsContact C-N 3.31Å; S59-M61 PolarHBondContact O-N 2.95Å; M61-L64 HydrophobicContact CE-CD2 4.05Å; M61-L64 PolarHBondContact O-N 3.13Å; M61-L64 HydrophobicContact SD-CD2 4.01Å; M61-S65 WeakPolarHBondContact O-CB 3.47Å; M61-S65 PolarHBondContact O-N 2.91Å; M61-S65 PolarHBondContact O-OG 2.97Å
62R98.2Very high97.3Very high162 Ų16282.3 Ų82.361%0.61143%0.429SS*.Hα-helixtrans-62.2-44.4170.6-83.7-172.8-76.396.6-0.9112R58 S59 S65 G66R58-R62 WeakPolarHBondContact O-CG 3.4Å; R58-R62 PolarHBondContact O-N 2.88Å; S59-R62 VanDerWaalsContact CB-NH2 3.34Å; S59-R62 PolarHBondContact O-N 3.2Å; S59-R62 PolarHBondContact OG-NH1 3.13Å; S59-R62 PolarHBondContact OG-NH2 3.15Å; R62-S65 PolarHBondContact O-N 3.5Å; R62-G66 PolarHBondContact O-N 3.12Å
63V98Very high97.3Very high108 Ų10883.1 Ų83.166%0.65544%0.441SS*.Hα-helixtrans-62.2-46.7176176.80000110.9S59 R60 S65 G66 A67S59-V63 PolarHBondContact O-N 3.5Å; R60-V63 PolarHBondContact O-N 2.67Å; V63-S65 PolarHBondContact O-N 2.91Å; V63-G66 PolarHBondContact O-N 2.84Å; V63-G66 VanDerWaalsContact O-N 3.16Å; V63-A67 PolarHBondContact O-N 3.21Å; V63-A67 VanDerWaalsContact O-N 3.07Å
64L98Very high97.3Very high67 Ų6784.3 Ų84.335%0.35145%0.451SS..Hα-helixtrans-62.5-40.4178.2-178.557.3000112.6R60 M61 G66 A67 F68R60-L64 PolarHBondContact O-N 3.01Å; M61-L64 HydrophobicContact CE-CD2 4.05Å; M61-L64 PolarHBondContact O-N 3.13Å; M61-L64 HydrophobicContact SD-CD2 4.01Å; L64-G66 VanDerWaalsContact C-N 3.34Å; L64-A67 PolarHBondContact O-N 3.35Å; L64-F68 HydrophobicContact CD1-CD2 4.15Å; L64-F68 HydrophobicContact CD1-CE2 4.09Å; L64-F68 HydrophobicContact CG-CD2 4.3Å; L64-F68 HydrophobicContact CG-CE2 4.37Å; L64-F68 WeakPolarHBondContact O-CD2 3.29Å; L64-F68 PolarHBondContact O-N 3.08Å; L64-F68 VanDerWaalsContact O-N 3.15Å
65S97.3Very high97.2Very high53 Ų5380.2 Ų80.237%0.37143%0.429SS..Hα-helixtrans-65.3-35.8174.2-68.50000112.5M61 R62 V63 F68 V69M61-S65 WeakPolarHBondContact O-CB 3.47Å; M61-S65 PolarHBondContact O-N 2.91Å; M61-S65 PolarHBondContact O-OG 2.97Å; R62-S65 PolarHBondContact O-N 3.5Å; V63-S65 PolarHBondContact O-N 2.91Å; S65-F68 PolarHBondContact O-N 3.2Å; S65-V69 PolarHBondContact O-N 3.43Å; S65-V69 VanDerWaalsContact O-N 3.17Å
66G96.9Very high97Very high38 Ų3882.2 Ų82.239%0.39244%0.438SS..Hα-helixtrans-59.7-50.2173.100000112.2R62 V63 L64 F68 V69 E70R62-G66 PolarHBondContact O-N 3.12Å; V63-G66 PolarHBondContact O-N 2.84Å; V63-G66 VanDerWaalsContact O-N 3.16Å; L64-G66 VanDerWaalsContact C-N 3.34Å; G66-F68 PolarHBondContact O-N 2.91Å; G66-V69 WeakPolarHBondContact O-CB 3.19Å; G66-V69 PolarHBondContact O-N 3.25Å; G66-E70 PolarHBondContact O-N 3.31Å
67A97.8Very high96.6Very high50 Ų5075.9 Ų75.941%0.41341%0.414SS..Hα-helixtrans-60.4-31.8176.500000113.2V63 L64 L71V63-A67 PolarHBondContact O-N 3.21Å; V63-A67 VanDerWaalsContact O-N 3.07Å; L64-A67 PolarHBondContact O-N 3.35Å; A67-L71 VanDerWaalsContact O-CB 3.26Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.36Å
68F97Very high96.3Very high44 Ų4472.7 Ų72.719%0.19340%0.4CS..Hα-helixtrans-69-32172.5-97.8-78000113.4L64 S65 G66 K72 K86 T89 L90L64-F68 HydrophobicContact CD1-CD2 4.15Å; L64-F68 HydrophobicContact CD1-CE2 4.09Å; L64-F68 HydrophobicContact CG-CD2 4.3Å; L64-F68 HydrophobicContact CG-CE2 4.37Å; L64-F68 WeakPolarHBondContact O-CD2 3.29Å; L64-F68 PolarHBondContact O-N 3.08Å; L64-F68 VanDerWaalsContact O-N 3.15Å; S65-F68 PolarHBondContact O-N 3.2Å; G66-F68 PolarHBondContact O-N 2.91Å; F68-K72 WeakPolarHBondContact O-CB 3.41Å; F68-K72 PolarHBondContact O-N 3.32Å; F68-K72 VanDerWaalsContact O-N 3.13Å; F68-K86 HydrophobicContact CD1-CB 4.33Å; F68-K86 HydrophobicContact CD1-CG 4.15Å; F68-K86 HydrophobicContact CE1-CB 3.72Å; F68-K86 HydrophobicContact CE1-CG 3.96Å; F68-K86 HydrophobicContact CE2-CD 4.29Å; F68-K86 HydrophobicContact CZ-CB 4Å; F68-K86 HydrophobicContact CZ-CD 4.24Å; F68-K86 HydrophobicContact CZ-CG 4.19Å; F68-T89 HydrophobicContact CD1-CG2 4.41Å; F68-L90 HydrophobicContact CE1-CD1 4.37Å; F68-L90 HydrophobicContact CE1-CD2 4.41Å; F68-L90 HydrophobicContact CE1-CG 4.09Å; F68-L90 HydrophobicContact CZ-CD1 4.25Å; F68-L90 HydrophobicContact CZ-CG 4.37Å
69V95.2Very high96Very high104 Ų10468.3 Ų68.363%0.6339%0.394SS*.Hα-helixtrans-74.8-40.4174.7173.80000110.8S65 G66 K72 G73S65-V69 PolarHBondContact O-N 3.43Å; S65-V69 VanDerWaalsContact O-N 3.17Å; G66-V69 WeakPolarHBondContact O-CB 3.19Å; G66-V69 PolarHBondContact O-N 3.25Å; V69-K72 WeakPolarHBondContact O-CB 3.38Å; V69-K72 PolarHBondContact O-N 2.71Å; V69-G73 PolarHBondContact O-N 2.89Å
70E96Very high95.4Very high150 Ų15074.9 Ų74.970%0.70142%0.417SS*.Hα-helixtrans-61.5-49.7173.8-174177.2-175.200111.5G66 K72 G73 A74G66-E70 PolarHBondContact O-N 3.31Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 2.93Å; E70-G73 WeakPolarHBondContact O-CA 3.48Å; E70-G73 PolarHBondContact O-N 3.21Å; E70-A74 PolarHBondContact O-N 2.77Å
71L97.5Very high95Very high62 Ų6275.7 Ų75.733%0.32543%0.431SS..Hα-helixtrans-58.6-40.1175.3-178.862.6000112.3A67 A74 T89 L90 A93A67-L71 VanDerWaalsContact O-CB 3.26Å; A67-L71 WeakPolarHBondContact O-CB 3.44Å; A67-L71 PolarHBondContact O-N 3.36Å; L71-A74 PolarHBondContact O-N 2.8Å; L71-T89 HydrophobicContact CB-CG2 4.46Å; L71-T89 HydrophobicContact CD2-CG2 4.1Å; L71-T89 HydrophobicContact CG-CG2 4.06Å; L71-L90 HydrophobicContact CD2-CD2 4.26Å; L71-A93 HydrophobicContact CD1-CB 3.85Å; L71-A93 HydrophobicContact CD2-CB 4.27Å; L71-A93 HydrophobicContact CG-CB 4.22Å
72K95.8Very high94.7Very high28 Ų2875.2 Ų75.212%0.12243%0.431CS..Hα-helixtrans-62.4-44.9172.7-178.3-158.8160.7-170.60111.1F68 V69 E70 A74 L75 V78 P79 K80 T82 L84 T89F68-K72 WeakPolarHBondContact O-CB 3.41Å; F68-K72 PolarHBondContact O-N 3.32Å; F68-K72 VanDerWaalsContact O-N 3.13Å; V69-K72 WeakPolarHBondContact O-CB 3.38Å; V69-K72 PolarHBondContact O-N 2.71Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 2.93Å; K72-A74 PolarHBondContact O-N 2.83Å; K72-L75 WeakPolarHBondContact O-CB 3.38Å; K72-L75 PolarHBondContact O-N 3.02Å; K72-L75 VanDerWaalsContact O-N 3.09Å; K72-V78 HydrophobicContact CD-CG1 4.41Å; K72-V78 VanDerWaalsContact CE-CG1 3.46Å; K72-V78 HydrophobicContact CG-CG1 4Å; K72-P79 WeakPolarHBondContact CE-O 3.44Å; K72-P79 PolarHBondContact NZ-O 2.93Å; K72-P79 VanDerWaalsContact NZ-O 3.09Å; K72-K80 PolarHBondContact NZ-O 3.47Å; K72-T82 WeakPolarHBondContact CE-O 3.49Å; K72-T82 PolarHBondContact NZ-O 3.26Å; K72-L84 HydrophobicContact CG-CD1 4.32Å; K72-T89 HydrophobicContact CB-CG2 4.13Å
73G94.7Very high94.5Very high58 Ų5877.6 Ų77.660%0.59845%0.446SS*.Hα-helixtrans-64.5-20.5-179.800000114.3V69 E70V69-G73 PolarHBondContact O-N 2.89Å; E70-G73 WeakPolarHBondContact O-CA 3.48Å; E70-G73 PolarHBondContact O-N 3.21Å
74A95.6Very high94.2Very high60 Ų6074.5 Ų74.550%0.49643%0.425SS..THydrogen-bonded Turntrans-82.5-5.1173.600000114.4E70 L71 K72 P76 Y96E70-A74 PolarHBondContact O-N 2.77Å; L71-A74 PolarHBondContact O-N 2.8Å; K72-A74 PolarHBondContact O-N 2.83Å; A74-P76 WeakPolarHBondContact O-CD 3.49Å; A74-Y96 WeakPolarHBondContact O-CE1 3.43Å
75L95.8Very high94.1Very high5 Ų573.9 Ų73.93%0.02643%0.427CS..  trans-86.5109.8176.9-60.2173.7000109.9K72 W77 V78 L84 T89 L92 A93 Y96K72-L75 WeakPolarHBondContact O-CB 3.38Å; K72-L75 PolarHBondContact O-N 3.02Å; K72-L75 VanDerWaalsContact O-N 3.09Å; L75-W77 PolarHBondContact O-N 3.45Å; L75-W77 VanDerWaalsContact O-N 3.11Å; L75-V78 HydrophobicContact CB-CB 3.97Å; L75-V78 HydrophobicContact CB-CG2 3.61Å; L75-V78 HydrophobicContact CD1-CG2 3.86Å; L75-V78 HydrophobicContact CG-CG2 4.39Å; L75-V78 PolarHBondContact O-N 3.18Å; L75-V78 VanDerWaalsContact O-N 3.1Å; L75-L84 HydrophobicContact CD1-CD1 4.4Å; L75-T89 HydrophobicContact CD1-CG2 4.42Å; L75-L92 HydrophobicContact CD1-CB 3.71Å; L75-L92 HydrophobicContact CD1-CD1 4.13Å; L75-L92 HydrophobicContact CD2-CB 4.14Å; L75-A93 HydrophobicContact CD2-CB 4.21Å; L75-Y96 HydrophobicContact CD2-CD1 4.46Å
76P94Very high94.1Very high88 Ų8876.5 Ų76.557%0.57143%0.432SS*.THydrogen-bonded Turntrans-68.7-18.7-166.526.8-35.4000114.2A74 Y96A74-P76 WeakPolarHBondContact O-CD 3.49Å; P76-Y96 HydrophobicContact CG-CD2 4.43Å; P76-Y96 HydrophobicContact CG-CE1 4.25Å; P76-Y96 HydrophobicContact CG-CE2 3.79Å
77W90.2Very high94.1Very high26 Ų2679.7 Ų79.710%0.09844%0.439CS..THydrogen-bonded Turntrans-962.5177.760.782.2000114.6L75 P79 L92 Y96 T156 L159 F163L75-W77 PolarHBondContact O-N 3.45Å; L75-W77 VanDerWaalsContact O-N 3.11Å; W77-P79 WeakPolarHBondContact O-CD 3.44Å; W77-L92 HydrophobicContact CZ2-CB 4.09Å; W77-L92 HydrophobicContact CZ2-CD2 4.03Å; W77-Y96 HydrophobicContact CH2-CD2 4.03Å; W77-Y96 HydrophobicContact CH2-CG 4.05Å; W77-Y96 AromaticContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CE2 4.36Å; W77-Y96 HydrophobicContact CZ3-CG 4.09Å; W77-T156 HydrophobicContact CB-CG2 3.38Å; W77-L159 HydrophobicContact CE3-CD1 4.3Å; W77-L159 HydrophobicContact CZ3-CD1 4.17Å; W77-F163 HydrophobicContact CZ2-CE2 4.41Å
78V91.4Very high94Very high16 Ų1679.8 Ų79.810%0.09743%0.433CS..SBendtrans-107.3112.6-174.4-179.40000110.7K72 L75 L84 L92K72-V78 HydrophobicContact CD-CG1 4.41Å; K72-V78 VanDerWaalsContact CE-CG1 3.46Å; K72-V78 HydrophobicContact CG-CG1 4Å; L75-V78 HydrophobicContact CB-CB 3.97Å; L75-V78 HydrophobicContact CB-CG2 3.61Å; L75-V78 HydrophobicContact CD1-CG2 3.86Å; L75-V78 HydrophobicContact CG-CG2 4.39Å; L75-V78 PolarHBondContact O-N 3.18Å; L75-V78 VanDerWaalsContact O-N 3.1Å; V78-L84 HydrophobicContact CG1-CD1 3.7Å; V78-L84 HydrophobicContact CG1-CG 4.2Å; V78-L84 HydrophobicContact CG2-CD1 4.06Å; V78-L92 HydrophobicContact CG2-CD1 3.97Å
79P90.8Very high93.9Very high81 Ų8178 Ų7853%0.52643%0.426SS..  trans-57.1142.9172.9-23.832.2000112.5K72 W77 D81 T82K72-P79 WeakPolarHBondContact CE-O 3.44Å; K72-P79 PolarHBondContact NZ-O 2.93Å; K72-P79 VanDerWaalsContact NZ-O 3.09Å; W77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-D81 PolarHBondContact O-N 2.91Å; P79-T82 WeakPolarHBondContact CB-OG1 3.29Å; P79-T82 WeakPolarHBondContact CD-OG1 3.49Å; P79-T82 WeakPolarHBondContact O-CB 3.36Å; P79-T82 PolarHBondContact O-N 2.85Å
80K86.7Confident94.1Very high186 Ų18677.3 Ų77.381%0.80942%0.418SS*.THydrogen-bonded Turntrans-57.4-26.3-174.3-67.5-179.1-179.1176.10113K72K72-K80 PolarHBondContact NZ-O 3.47Å
81D89.8Confident94.1Very high148 Ų14874 Ų7479%0.79140%0.401SS*.THydrogen-bonded Turntrans-95.2-13.7-178.3-48.4-69.1000114.1P79 K83P79-D81 PolarHBondContact O-N 2.91Å; D81-K83 PolarHBondContact O-N 3.43Å
82T92.3Very high94Very high46 Ų4671.4 Ų71.428%0.28239%0.387SS..  trans-60.7122.2-177.5-62.90000112.5K72 P79 L84K72-T82 WeakPolarHBondContact CE-O 3.49Å; K72-T82 PolarHBondContact NZ-O 3.26Å; P79-T82 WeakPolarHBondContact CB-OG1 3.29Å; P79-T82 WeakPolarHBondContact CD-OG1 3.49Å; P79-T82 WeakPolarHBondContact O-CB 3.36Å; P79-T82 PolarHBondContact O-N 2.85Å; T82-L84 HydrophobicContact CG2-CD2 4.01Å; T82-L84 HydrophobicContact CG2-CG 4.32Å; T82-L84 PolarHBondContact O-N 3.46Å; T82-L84 VanDerWaalsContact O-N 3.08Å
83K93.4Very high94.1Very high211 Ų21170.6 Ų70.692%0.91739%0.386SS*.  trans-77.295.8179.3-65.6176.6-176.6172.30110.5D81D81-K83 PolarHBondContact O-N 3.43Å
84L92.1Very high94.2Very high43 Ų4370.5 Ų70.523%0.22538%0.379CS..  trans-93.4149171.5-64.9-173000111.8K72 L75 V78 T82 L92 F160K72-L84 HydrophobicContact CG-CD1 4.32Å; L75-L84 HydrophobicContact CD1-CD1 4.4Å; V78-L84 HydrophobicContact CG1-CD1 3.7Å; V78-L84 HydrophobicContact CG1-CG 4.2Å; V78-L84 HydrophobicContact CG2-CD1 4.06Å; T82-L84 HydrophobicContact CG2-CD2 4.01Å; T82-L84 HydrophobicContact CG2-CG 4.32Å; T82-L84 PolarHBondContact O-N 3.46Å; T82-L84 VanDerWaalsContact O-N 3.08Å; L84-L92 HydrophobicContact CD1-CD1 3.74Å; L84-F160 HydrophobicContact CD2-CE2 4.29Å
85S96.1Very high94.2Very high54 Ų5468 Ų6838%0.37836%0.36SS..  trans-76.1158.1167.2950000110.9L87 D88 T89S85-L87 PolarHBondContact O-N 2.96Å; S85-L87 PolarHBondContact OG-N 2.91Å; S85-D88 VanDerWaalsContact CB-OD2 3.28Å; S85-D88 WeakPolarHBondContact CB-OD2 3.43Å; S85-D88 PolarHBondContact O-N 3.4Å; S85-D88 VanDerWaalsContact O-N 3.16Å; S85-D88 VanDerWaalsContact OG-CG 3.28Å; S85-D88 PolarHBondContact OG-N 3.18Å; S85-D88 PolarHBondContact OG-OD2 2.73Å; S85-T89 PolarHBondContact O-N 3.44Å; S85-T89 PolarHBondContact O-OG1 2.8Å
86K96.1Very high94.3Very high109 Ų10970.7 Ų70.747%0.47437%0.37SS..Hα-helixtrans-58.3-34.3174.9-67.1-176.5-178.8179.50112.7F68 L90F68-K86 HydrophobicContact CD1-CB 4.33Å; F68-K86 HydrophobicContact CD1-CG 4.15Å; F68-K86 HydrophobicContact CE1-CB 3.72Å; F68-K86 HydrophobicContact CE1-CG 3.96Å; F68-K86 HydrophobicContact CE2-CD 4.29Å; F68-K86 HydrophobicContact CZ-CB 4Å; F68-K86 HydrophobicContact CZ-CD 4.24Å; F68-K86 HydrophobicContact CZ-CG 4.19Å; K86-L90 VanDerWaalsContact O-CG 3.29Å; K86-L90 WeakPolarHBondContact O-CG 3.44Å; K86-L90 PolarHBondContact O-N 3.41Å
87L97.1Very high94.5Very high104 Ų10470.8 Ų70.855%0.54537%0.365SS..Hα-helixtrans-69.2-41.7178.6177.460.7000110.8S85 L90 K91S85-L87 PolarHBondContact O-N 2.96Å; S85-L87 PolarHBondContact OG-N 2.91Å; L87-L90 PolarHBondContact O-N 3.27Å; L87-K91 WeakPolarHBondContact O-CG 3.25Å; L87-K91 PolarHBondContact O-N 3.05Å
88D95.9Very high94.7Very high53 Ų5371.7 Ų71.728%0.28338%0.378SS..Hα-helixtrans-76.7-35.2-175.9-51.4-51.6000111.4S85 L90 K91 L92S85-D88 VanDerWaalsContact CB-OD2 3.28Å; S85-D88 WeakPolarHBondContact CB-OD2 3.43Å; S85-D88 PolarHBondContact O-N 3.4Å; S85-D88 VanDerWaalsContact O-N 3.16Å; S85-D88 VanDerWaalsContact OG-CG 3.28Å; S85-D88 PolarHBondContact OG-N 3.18Å; S85-D88 PolarHBondContact OG-OD2 2.73Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.95Å; D88-K91 PolarHBondContact O-N 3.12Å; D88-K91 IonicContact OD1-NZ 2.91Å; D88-K91 PolarHBondContact OD1-NZ 2.93Å; D88-L92 WeakPolarHBondContact O-CB 3.24Å; D88-L92 VanDerWaalsContact O-CG 3.27Å; D88-L92 WeakPolarHBondContact O-CG 3.34Å; D88-L92 PolarHBondContact O-N 3.32Å
89T95.7Very high94.9Very high7 Ų774.8 Ų74.84%0.04339%0.388CS..Hα-helixtrans-56.1-41.3167.6-55.50000111.7F68 L71 K72 L75 S85 A93F68-T89 HydrophobicContact CD1-CG2 4.41Å; L71-T89 HydrophobicContact CB-CG2 4.46Å; L71-T89 HydrophobicContact CD2-CG2 4.1Å; L71-T89 HydrophobicContact CG-CG2 4.06Å; K72-T89 HydrophobicContact CB-CG2 4.13Å; L75-T89 HydrophobicContact CD1-CG2 4.42Å; S85-T89 PolarHBondContact O-N 3.44Å; S85-T89 PolarHBondContact O-OG1 2.8Å; T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.22Å; T89-A93 PolarHBondContact O-N 3.43Å
90L98.1Very high95.1Very high89 Ų8974.2 Ų74.247%0.46638%0.38SS..Hα-helixtrans-68.9-42.7176.9-70.8169.1000112.5F68 L71 K86 L87 D88 A93 A94F68-L90 HydrophobicContact CE1-CD1 4.37Å; F68-L90 HydrophobicContact CE1-CD2 4.41Å; F68-L90 HydrophobicContact CE1-CG 4.09Å; F68-L90 HydrophobicContact CZ-CD1 4.25Å; F68-L90 HydrophobicContact CZ-CG 4.37Å; L71-L90 HydrophobicContact CD2-CD2 4.26Å; K86-L90 VanDerWaalsContact O-CG 3.29Å; K86-L90 WeakPolarHBondContact O-CG 3.44Å; K86-L90 PolarHBondContact O-N 3.41Å; L87-L90 PolarHBondContact O-N 3.27Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.95Å; L90-A93 PolarHBondContact O-N 3.4Å; L90-A94 WeakPolarHBondContact O-CB 3.27Å; L90-A94 PolarHBondContact O-N 2.9Å
91K96.1Very high95.5Very high81 Ų8173 Ų7335%0.35237%0.371SS..Hα-helixtrans-60.6-48.7175.4-71.5172.4-174.1158.40111.9L87 D88 A93 A94 G95L87-K91 WeakPolarHBondContact O-CG 3.25Å; L87-K91 PolarHBondContact O-N 3.05Å; D88-K91 PolarHBondContact O-N 3.12Å; D88-K91 IonicContact OD1-NZ 2.91Å; D88-K91 PolarHBondContact OD1-NZ 2.93Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 2.91Å; K91-A94 PolarHBondContact O-N 3.07Å; K91-G95 PolarHBondContact O-N 3.49Å
92L95.8Very high95.7Very high6 Ų670.9 Ų70.93%0.03135%0.352CS..Hα-helixtrans-64-39.3-179.9-67.5179.8000111.3L75 W77 V78 L84 D88 G95 Y96 F163L75-L92 HydrophobicContact CD1-CB 3.71Å; L75-L92 HydrophobicContact CD1-CD1 4.13Å; L75-L92 HydrophobicContact CD2-CB 4.14Å; W77-L92 HydrophobicContact CZ2-CB 4.09Å; W77-L92 HydrophobicContact CZ2-CD2 4.03Å; V78-L92 HydrophobicContact CG2-CD1 3.97Å; L84-L92 HydrophobicContact CD1-CD1 3.74Å; D88-L92 WeakPolarHBondContact O-CB 3.24Å; D88-L92 VanDerWaalsContact O-CG 3.27Å; D88-L92 WeakPolarHBondContact O-CG 3.34Å; D88-L92 PolarHBondContact O-N 3.32Å; L92-G95 PolarHBondContact O-N 3.22Å; L92-Y96 WeakPolarHBondContact O-CB 3.46Å; L92-Y96 PolarHBondContact O-N 2.96Å; L92-F163 HydrophobicContact CD2-CB 3.65Å; L92-F163 HydrophobicContact CD2-CD1 4.48Å; L92-F163 HydrophobicContact CD2-CD2 3.32Å; L92-F163 HydrophobicContact CD2-CE2 4.07Å; L92-F163 HydrophobicContact CD2-CG 3.58Å
93A98Very high95.8Very high11 Ų1172.1 Ų72.19%0.09136%0.356CS..Hα-helixtrans-64.7-43.9174.400000112.6L71 L75 T89 L90 K91 Y96 I97L71-A93 HydrophobicContact CD1-CB 3.85Å; L71-A93 HydrophobicContact CD2-CB 4.27Å; L71-A93 HydrophobicContact CG-CB 4.22Å; L75-A93 HydrophobicContact CD2-CB 4.21Å; T89-A93 VanDerWaalsContact O-CB 3.27Å; T89-A93 WeakPolarHBondContact O-CB 3.22Å; T89-A93 PolarHBondContact O-N 3.43Å; L90-A93 PolarHBondContact O-N 3.4Å; K91-A93 VanDerWaalsContact C-N 3.34Å; K91-A93 PolarHBondContact O-N 2.91Å; A93-Y96 PolarHBondContact O-N 3.23Å; A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.32Å
94A97.2Very high95.8Very high56 Ų5667.2 Ų67.246%0.46334%0.339SS..Hα-helixtrans-62.4-43.3175.300000111.9L90 K91 I97 A98L90-A94 WeakPolarHBondContact O-CB 3.27Å; L90-A94 PolarHBondContact O-N 2.9Å; K91-A94 PolarHBondContact O-N 3.07Å; A94-I97 PolarHBondContact O-N 3.48Å; A94-A98 PolarHBondContact O-N 2.94Å
95G95.9Very high95.7Very high8 Ų870.3 Ų70.38%0.08236%0.356CS..Hα-helixtrans-61.5-40.9173.700000112.9K91 L92 A98 Y99K91-G95 PolarHBondContact O-N 3.49Å; L92-G95 PolarHBondContact O-N 3.22Å; G95-A98 PolarHBondContact O-N 3.08Å; G95-Y99 WeakPolarHBondContact O-CB 3.44Å; G95-Y99 PolarHBondContact O-N 3.31Å
96Y97.7Very high95.2Very high61 Ų6170.9 Ų70.924%0.23936%0.357CS..Hα-helixtrans-65.2-42.6176.7-171-145000112.1A74 L75 P76 W77 L92 A93 A98 Y99 L100A74-Y96 WeakPolarHBondContact O-CE1 3.43Å; L75-Y96 HydrophobicContact CD2-CD1 4.46Å; P76-Y96 HydrophobicContact CG-CD2 4.43Å; P76-Y96 HydrophobicContact CG-CE1 4.25Å; P76-Y96 HydrophobicContact CG-CE2 3.79Å; W77-Y96 HydrophobicContact CH2-CD2 4.03Å; W77-Y96 HydrophobicContact CH2-CG 4.05Å; W77-Y96 AromaticContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CD2 3.67Å; W77-Y96 HydrophobicContact CZ3-CE2 4.36Å; W77-Y96 HydrophobicContact CZ3-CG 4.09Å; L92-Y96 WeakPolarHBondContact O-CB 3.46Å; L92-Y96 PolarHBondContact O-N 2.96Å; A93-Y96 PolarHBondContact O-N 3.23Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 3Å; Y96-Y99 HydrophobicContact CD2-CD1 4.19Å; Y96-Y99 HydrophobicContact CE2-CD1 4.34Å; Y96-Y99 PolarHBondContact O-N 3.34Å; Y96-L100 HydrophobicContact CD1-CD1 4.29Å; Y96-L100 HydrophobicContact CD2-CD1 4.19Å; Y96-L100 HydrophobicContact CD2-CG 4Å; Y96-L100 HydrophobicContact CE1-CD1 3.95Å; Y96-L100 HydrophobicContact CE2-CD1 3.83Å; Y96-L100 HydrophobicContact CE2-CD2 3.83Å; Y96-L100 HydrophobicContact CE2-CG 3.72Å; Y96-L100 HydrophobicContact CG-CD1 4.4Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 2.9Å
97I97.6Very high94.2Very high91 Ų9168.2 Ų68.247%0.46735%0.352SS..Hα-helixtrans-62.5-41.3175.7-68.2163.7000111A93 A94 R101A93-I97 VanDerWaalsContact O-CG1 3.3Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 3.32Å; A94-I97 PolarHBondContact O-N 3.48Å; I97-R101 VanDerWaalsContact O-CG 3.31Å; I97-R101 WeakPolarHBondContact O-CG 3.18Å; I97-R101 PolarHBondContact O-N 2.99Å
98A95.9Very high92.5Very high45 Ų4570.4 Ų70.437%0.37236%0.36SS..Hα-helixtrans-65.1-42.9175.900000112.3A94 G95 Y96 R101 R102 L144A94-A98 PolarHBondContact O-N 2.94Å; G95-A98 PolarHBondContact O-N 3.08Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 3Å; A98-R101 PolarHBondContact O-N 3.06Å; A98-R102 PolarHBondContact O-N 3.24Å; A98-R102 VanDerWaalsContact O-N 3.08Å; A98-L144 HydrophobicContact CB-CD1 4.43Å
99Y94.6Very high90.7Very high80 Ų8071.6 Ų71.631%0.31437%0.372SS..Hα-helixtrans-60.8-47.4175.6172.5-100.8000112.4G95 Y96 R102 I103G95-Y99 WeakPolarHBondContact O-CB 3.44Å; G95-Y99 PolarHBondContact O-N 3.31Å; Y96-Y99 HydrophobicContact CD2-CD1 4.19Å; Y96-Y99 HydrophobicContact CE2-CD1 4.34Å; Y96-Y99 PolarHBondContact O-N 3.34Å; Y99-R102 PolarHBondContact O-N 3.2Å; Y99-I103 HydrophobicContact CD1-CD1 4.01Å; Y99-I103 HydrophobicContact CE1-CD1 3.45Å; Y99-I103 VanDerWaalsContact CE1-CD1 3.45Å; Y99-I103 HydrophobicContact CE2-CD1 4.08Å; Y99-I103 PolarHBondContact O-N 3Å; Y99-I103 VanDerWaalsContact O-N 3.12Å
100L95.7Very high88.7Confident69 Ų6977.7 Ų77.736%0.36140%0.4SS..Hα-helixtrans-64.1-40.1178.1-71.3177.8000112.4Y96 I103 L104Y96-L100 HydrophobicContact CD1-CD1 4.29Å; Y96-L100 HydrophobicContact CD2-CD1 4.19Å; Y96-L100 HydrophobicContact CD2-CG 4Å; Y96-L100 HydrophobicContact CE1-CD1 3.95Å; Y96-L100 HydrophobicContact CE2-CD1 3.83Å; Y96-L100 HydrophobicContact CE2-CD2 3.83Å; Y96-L100 HydrophobicContact CE2-CG 3.72Å; Y96-L100 HydrophobicContact CG-CD1 4.4Å; Y96-L100 WeakPolarHBondContact O-CG 3.43Å; Y96-L100 PolarHBondContact O-N 2.9Å; L100-I103 PolarHBondContact O-N 3.02Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.38Å; L100-L104 VanDerWaalsContact O-N 3.12Å
101R95.5Very high86.5Confident160 Ų16078.5 Ų78.560%0.60441%0.409SS*.Hα-helixtrans-57.7-52.1173.4-76.7172176.9-177-2.5111.1I97 A98 I103 L104 D105I97-R101 VanDerWaalsContact O-CG 3.31Å; I97-R101 WeakPolarHBondContact O-CG 3.18Å; I97-R101 PolarHBondContact O-N 2.99Å; A98-R101 PolarHBondContact O-N 3.06Å; R101-I103 VanDerWaalsContact C-N 3.26Å; R101-I103 PolarHBondContact O-N 3.47Å; R101-L104 WeakPolarHBondContact O-CA 3.16Å; R101-L104 WeakPolarHBondContact O-CB 3.3Å; R101-L104 PolarHBondContact O-N 2.97Å; R101-D105 PolarHBondContact O-N 3.29Å; R101-D105 VanDerWaalsContact O-OD2 3.08Å
102R92.7Very high84.5Confident105 Ų10581.7 Ų81.740%0.39643%0.428SS..Hα-helixtrans-55.7-40.5179.1-168.9174.186.5139.8-5.9112.6A98 Y99 D105 T106 L148 D149A98-R102 PolarHBondContact O-N 3.24Å; A98-R102 VanDerWaalsContact O-N 3.08Å; Y99-R102 PolarHBondContact O-N 3.2Å; R102-D105 PolarHBondContact O-N 3.25Å; R102-T106 WeakPolarHBondContact O-CG2 3.37Å; R102-T106 PolarHBondContact O-N 3.07Å; R102-T106 PolarHBondContact O-OG1 2.89Å; R102-T106 VanDerWaalsContact O-OG1 3.13Å; R102-L148 PolarHBondContact NH1-O 3.46Å; R102-L148 PolarHBondContact NH2-O 3.48Å; R102-D149 PolarHBondContact NH2-O 3.45Å
103I94Very high82.6Confident72 Ų7288.5 Ų88.537%0.36946%0.463SS..Hα-helixtrans-61-48.5175.2-72.2173.2000110.9Y99 L100 R101 D105 T106 S107Y99-I103 HydrophobicContact CD1-CD1 4.01Å; Y99-I103 HydrophobicContact CE1-CD1 3.45Å; Y99-I103 VanDerWaalsContact CE1-CD1 3.45Å; Y99-I103 HydrophobicContact CE2-CD1 4.08Å; Y99-I103 PolarHBondContact O-N 3Å; Y99-I103 VanDerWaalsContact O-N 3.12Å; L100-I103 PolarHBondContact O-N 3.02Å; R101-I103 VanDerWaalsContact C-N 3.26Å; R101-I103 PolarHBondContact O-N 3.47Å; I103-D105 PolarHBondContact O-N 2.86Å; I103-T106 PolarHBondContact O-N 3.38Å; I103-T106 PolarHBondContact O-OG1 3.37Å; I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.83Å
104L93.5Very high80.3Confident107 Ų10792.1 Ų92.156%0.5649%0.493SS*.Hα-helixtrans-59.6-48.7178.7-66167.9000111.2L100 R101 T106 S107 E108L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.38Å; L100-L104 VanDerWaalsContact O-N 3.12Å; R101-L104 WeakPolarHBondContact O-CA 3.16Å; R101-L104 WeakPolarHBondContact O-CB 3.3Å; R101-L104 PolarHBondContact O-N 2.97Å; L104-T106 VanDerWaalsContact C-N 3.32Å; L104-T106 PolarHBondContact O-N 3.3Å; L104-S107 WeakPolarHBondContact CA-OG 3.02Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.44Å; L104-E108 PolarHBondContact O-N 3.28Å; L104-E108 VanDerWaalsContact O-N 3.12Å
105D91.4Very high77.8Confident108 Ų10899.6 Ų99.658%0.57851%0.509SS*.Hα-helixtrans-57.5-42.1178.7-55.4-35.4000112R101 R102 I103 S109R101-D105 PolarHBondContact O-N 3.29Å; R101-D105 VanDerWaalsContact O-OD2 3.08Å; R102-D105 PolarHBondContact O-N 3.25Å; I103-D105 PolarHBondContact O-N 2.86Å; D105-S109 PolarHBondContact O-N 3.38Å; D105-S109 PolarHBondContact O-OG 3.47Å
106T85.8Confident75.4Confident66 Ų66104.5 Ų104.541%0.40554%0.54SS..Hα-helixtrans-69.9-33.2174.157.50000113.1R102 I103 L104 S109 H110R102-T106 WeakPolarHBondContact O-CG2 3.37Å; R102-T106 PolarHBondContact O-N 3.07Å; R102-T106 PolarHBondContact O-OG1 2.89Å; R102-T106 VanDerWaalsContact O-OG1 3.13Å; I103-T106 PolarHBondContact O-N 3.38Å; I103-T106 PolarHBondContact O-OG1 3.37Å; L104-T106 VanDerWaalsContact C-N 3.32Å; L104-T106 PolarHBondContact O-N 3.3Å; T106-S109 WeakPolarHBondContact O-CB 3.38Å; T106-S109 PolarHBondContact O-N 2.9Å; T106-H110 PolarHBondContact O-CD2 2.85Å; T106-H110 PolarHBondContact O-N 3.31Å; T106-H110 VanDerWaalsContact O-N 3.11Å
107S74.7Confident72.7Confident54 Ų54107.2 Ų107.238%0.37857%0.568SS.*Hα-helixtrans-70.9-35.2-178.273.40000113.4I103 L104 S109 T111I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.83Å; L104-S107 WeakPolarHBondContact CA-OG 3.02Å; L104-S107 PolarHBondContact O-N 2.9Å; L104-S107 PolarHBondContact O-OG 3.44Å; S107-S109 VanDerWaalsContact C-N 3.31Å; S107-T111 WeakPolarHBondContact O-CG2 3.2Å; S107-T111 PolarHBondContact O-N 3.42Å; S107-T111 PolarHBondContact O-OG1 2.97Å
108E61.8Low70.5Confident149 Ų149108.6 Ų108.670%0.69658%0.58SS**Hα-helixtrans-69.8-30.3171.2-64-161179.100111.7L104 T111L104-E108 PolarHBondContact O-N 3.28Å; L104-E108 VanDerWaalsContact O-N 3.12Å; E108-T111 PolarHBondContact O-OG1 3.38Å
109S56.7Low67.9Low79 Ų79115.2 Ų115.255%0.55260%0.603SS**Hα-helixtrans-69-36.1176-57.20000113.3D105 T106 S107D105-S109 PolarHBondContact O-N 3.38Å; D105-S109 PolarHBondContact O-OG 3.47Å; T106-S109 WeakPolarHBondContact O-CB 3.38Å; T106-S109 PolarHBondContact O-N 2.9Å; S107-S109 VanDerWaalsContact C-N 3.31Å
110H54Low65.9Low135 Ų135118.6 Ų118.663%0.62563%0.625SS**Hα-helixtrans-86.9-16.3-177.9-71.4-60.9000114.9T106 I112T106-H110 PolarHBondContact O-CD2 2.85Å; T106-H110 PolarHBondContact O-N 3.31Å; T106-H110 VanDerWaalsContact O-N 3.11Å; H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 PolarHBondContact O-N 3.36Å
111T52.7Low63.5Low106 Ų106120.8 Ų120.865%0.6564%0.642SS**THydrogen-bonded Turntrans-78-8.4-176.135.80000114.7S107 E108S107-T111 WeakPolarHBondContact O-CG2 3.2Å; S107-T111 PolarHBondContact O-N 3.42Å; S107-T111 PolarHBondContact O-OG1 2.97Å; E108-T111 PolarHBondContact O-OG1 3.38Å
112I53.4Low61.1Low148 Ų148121.5 Ų121.576%0.75965%0.652SS**THydrogen-bonded Turntrans-88.9-23.8179.5-62.8179.3000112.7H110H110-I112 VanDerWaalsContact C-N 3.29Å; H110-I112 PolarHBondContact O-N 3.36Å
113I55.9Low58.9Low148 Ų148125.4 Ų125.476%0.75968%0.675SS**THydrogen-bonded Turntrans-99.2-20.1-167.9-60177.5000113
114A50.8Low56.7Low87 Ų87127.6 Ų127.672%0.71970%0.696SS**SBendtrans-106.427-167.800000115.9
115R44.1Very low54.4Low213 Ų213134.4 Ų134.480%0.80471%0.714SS**  trans-114.7101.1174.3-175.9171.9177.5158.3-1.2111.3S117R115-S117 PolarHBondContact O-N 2.94Å
116P46.2Very low52.4Low112 Ų112136.2 Ų136.273%0.72772%0.723SS**  trans-63.9134.116926.9-33.1000110V118P116-V118 PolarHBondContact O-N 3.42Å; P116-V118 VanDerWaalsContact O-N 3.12Å
117S40Very low50.4Low118 Ų118139.5 Ų139.583%0.82574%0.736SS**  trans-71.2103.1179.7-59.90000110.8R115R115-S117 PolarHBondContact O-N 2.94Å
118V51Low49.1Very low119 Ų119148.7 Ų148.772%0.72176%0.762SS**  trans-92.2113.1157.6-179.30000107P116 I120P116-V118 PolarHBondContact O-N 3.42Å; P116-V118 VanDerWaalsContact O-N 3.12Å; V118-I120 HydrophobicContact CG1-CG1 4.36Å; V118-I120 PolarHBondContact O-N 3.16Å
119E42.5Very low48.3Very low184 Ų184147.4 Ų147.486%0.8677%0.765SS**  trans-69120.1174.6-62.3-179.4155.600109.5
120I50.7Low47.8Very low151 Ų151147.9 Ų147.977%0.77477%0.774SS**  trans-129.8131.8162.3-61.9-176.5000107.2V118V118-I120 HydrophobicContact CG1-CG1 4.36Å; V118-I120 PolarHBondContact O-N 3.16Å
121T46Very low47.6Very low116 Ų116147.6 Ų147.671%0.71278%0.782SS**  trans-79.2131.3-160.5-44.70000113.4
122E45.4Very low47Very low175 Ų175147.8 Ų147.882%0.81879%0.788SS**SBendtrans63.9171.8155.2-71.2174148.600120.3
123E46.4Very low46.6Very low187 Ų187148 Ų14887%0.87479%0.789SS**  trans51.266.5169-53.5-143.1140.700120.3
124S47.4Very low46Very low118 Ų118150.3 Ų150.383%0.82579%0.794SS**  trans-155.251.3155.2-86.10000114.1I126S124-I126 PolarHBondContact O-N 2.82Å
125R45.3Very low45.5Very low250 Ų250153 Ų15394%0.94380%0.795SS**  trans-81.138.9-176-156.9-175.3-74.8-117.22.4114
126I50.2Low45.1Very low146 Ų146148.3 Ų148.375%0.74980%0.795SS**  trans-108.3101.6-171.3-56.5-177.6000112.5S124S124-I126 PolarHBondContact O-N 2.82Å
127I43.7Very low44.9Very low134 Ų134148.3 Ų148.369%0.68779%0.794SS**  trans44.296.8143-47.2175.4000117T129I127-T129 HydrophobicContact CG2-CG2 4.14Å
128R46.9Very low44.9Very low247 Ų247147.7 Ų147.793%0.93279%0.789SS**  trans-121.878.4149.5-83.8-170.1165.2100-3.3110.3A130R128-A130 PolarHBondContact O-N 3.48Å; R128-A130 VanDerWaalsContact O-N 3.08Å
129T45.6Very low44.3Very low123 Ų123151 Ų15176%0.75580%0.797SS**  trans-71.494.9170.845.40000110I127 T131I127-T129 HydrophobicContact CG2-CG2 4.14Å; T129-T131 PolarHBondContact O-N 3.36Å
130A46.6Very low43.9Very low88 Ų88146.5 Ų146.573%0.72779%0.786SS**  trans-72.7105.3178.100000111.2R128 S132R128-A130 PolarHBondContact O-N 3.48Å; R128-A130 VanDerWaalsContact O-N 3.08Å; A130-S132 PolarHBondContact O-N 3.05Å; A130-S132 VanDerWaalsContact O-N 3.09Å
131T48.1Very low43.1Very low129 Ų129146.4 Ų146.479%0.79179%0.787SS**  trans-65.2105166.941.80000109.9T129 L133T129-T131 PolarHBondContact O-N 3.36Å; T131-L133 PolarHBondContact O-N 2.93Å; T131-L133 VanDerWaalsContact O-N 3.09Å
132S41.6Very low42.8Very low111 Ų111148.9 Ų148.978%0.77679%0.788SS**  trans-68.4102.3-176.6-49.70000112.7A130 K134A130-S132 PolarHBondContact O-N 3.05Å; A130-S132 VanDerWaalsContact O-N 3.09Å; S132-K134 PolarHBondContact O-N 2.76Å; S132-K134 VanDerWaalsContact O-N 3.13Å
133L43.9Very low42.2Very low152 Ų152149.9 Ų149.980%0.79679%0.792SS**  trans-83.979.4169.1-68.6-179.7000110.6T131 L135T131-L133 PolarHBondContact O-N 2.93Å; T131-L133 VanDerWaalsContact O-N 3.09Å; L133-L135 HydrophobicContact CB-CD1 4.41Å; L133-L135 PolarHBondContact O-N 3.5Å
134K44Very low42.1Very low197 Ų197146.1 Ų146.186%0.85778%0.778SS**  trans-77.580.3-179-158.5170.3-171.4174.60110.9S132 S136S132-K134 PolarHBondContact O-N 2.76Å; S132-K134 VanDerWaalsContact O-N 3.13Å; K134-S136 PolarHBondContact O-N 3.09Å
135L39.7Very low41.8Very low142 Ų142146.1 Ų146.174%0.74377%0.768SS**  trans-6988.6176.9-101.772.3000111.5L133 T137L133-L135 HydrophobicContact CB-CD1 4.41Å; L133-L135 PolarHBondContact O-N 3.5Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.94Å; L135-T137 PolarHBondContact O-OG1 3.23Å
136S35.9Very low41.8Very low116 Ų116139.5 Ų139.581%0.81176%0.758SS**  trans-66.686.3169.456.20000110.6K134 S138K134-S136 PolarHBondContact O-N 3.09Å; S136-S138 PolarHBondContact O-N 3.43Å; S136-S138 VanDerWaalsContact O-N 3.15Å
137T42.5Very low41.3Very low112 Ų112139.1 Ų139.169%0.68776%0.758SS**  trans-77.2100.3179.3-56.80000109.5L135L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.94Å; L135-T137 PolarHBondContact O-OG1 3.23Å
138S39.9Very low41.4Very low105 Ų105137.3 Ų137.373%0.73475%0.748SS**PPolyproline II helixtrans-58.6136170.854.50000110.7S136 S140S136-S138 PolarHBondContact O-N 3.43Å; S136-S138 VanDerWaalsContact O-N 3.15Å; S138-S140 PolarHBondContact O-N 2.82Å
139Q37.6Very low41.1Very low189 Ų189131.4 Ų131.488%0.88374%0.735SS**PPolyproline II helixtrans-48118.8-174.3-69.3168.9-25.700112.9
140S35.2Very low40.6Very low89 Ų89128.4 Ų128.462%0.62272%0.719SS**PPolyproline II helixtrans-100.6120.9167.659.30000109.2S138 F142S138-S140 PolarHBondContact O-N 2.82Å; S140-F142 PolarHBondContact O-N 3.48Å
141N34Very low40.2Very low149 Ų149132 Ų13280%0.79773%0.727SS**SBendtrans-75.460.7-174-61.2-16.3000113.1
142F38.3Very low40Very low168 Ų168129.4 Ų129.474%0.73772%0.718SS**  trans-125.776.8172.1-82.3-80.6000108.8S140 L144S140-F142 PolarHBondContact O-N 3.48Å; F142-L144 PolarHBondContact O-N 3.05Å
143E33.1Very low39.9Very low195 Ų195131.2 Ų131.291%0.91172%0.718SS**  trans-68.497.6171.5-68.3-176.4124.700110
144L45.4Very low40.1Very low109 Ų109125.8 Ų125.857%0.57169%0.693SS**  trans-81.6125.1156.7-66.6176.6000107.2A98 F142A98-L144 HydrophobicContact CB-CD1 4.43Å; F142-L144 PolarHBondContact O-N 3.05Å
145N41.3Very low40.3Very low117 Ų117120.4 Ų120.463%0.62667%0.673SS**  trans-56.7121.2-171.5-172.1-16.4000110.9N147N145-N147 PolarHBondContact O-N 3.06Å; N145-N147 PolarHBondContact OD1-N 3.31Å; N145-N147 PolarHBondContact OD1-ND2 2.96Å
146P44.4Very low40.7Very low111 Ų111117.9 Ų117.972%0.72166%0.664SS**SBendtrans-70.5-12.3-170.527.1-35.8000114.5L148P146-L148 PolarHBondContact O-N 2.97Å
147N39.6Very low41.4Very low139 Ų139117.9 Ų117.974%0.74365%0.653SS**  trans-78.640.8-174.7-60.1-70.9000114.2N145N145-N147 PolarHBondContact O-N 3.06Å; N145-N147 PolarHBondContact OD1-N 3.31Å; N145-N147 PolarHBondContact OD1-ND2 2.96Å
148L45.5Very low41.9Very low95 Ų95118.7 Ų118.750%0.49765%0.647SS.*  trans-88.4103163.8-95163.6000107.6R102 P146 L162R102-L148 PolarHBondContact NH1-O 3.46Å; R102-L148 PolarHBondContact NH2-O 3.48Å; P146-L148 PolarHBondContact O-N 2.97Å; L148-L162 HydrophobicContact CD2-CD2 4.47Å
149D40.4Very low42.4Very low123 Ų123114.8 Ų114.866%0.65862%0.618SS**  trans-55.9155.2-174.4-162.44.1000112.8R102R102-D149 PolarHBondContact NH2-O 3.45Å
150S35.4Very low43.1Very low60 Ų60109.2 Ų109.242%0.4259%0.591SS.*SBendtrans-66.7164.4165.955.30000111.7A152S150-A152 PolarHBondContact O-N 3.02Å
151N38.3Very low43.9Very low164 Ų164108.2 Ų108.288%0.87758%0.579SS**SBendtrans69.3-19.7169.9-44.5-45.3000118L153N151-L153 PolarHBondContact O-N 2.87Å
152A43.8Very low44.7Very low75 Ų75104.9 Ų104.962%0.6256%0.561SS**  trans-88.198.6173.100000112S150 P154S150-A152 PolarHBondContact O-N 3.02Å; A152-P154 WeakPolarHBondContact O-CD 3.43Å; A152-P154 VanDerWaalsContact O-N 3.15Å
153L39.2Very low45.4Very low148 Ų14899.6 Ų99.678%0.77554%0.537SS*.  trans-57.9113.5164.9177.368.4000108.5N151N151-L153 PolarHBondContact O-N 2.87Å
154P48.9Very low46.2Very low39 Ų3993 Ų9325%0.25351%0.51SS..  trans-73.6136.1-179.8-13.329.4000109.1A152 T156 L159A152-P154 WeakPolarHBondContact O-CD 3.43Å; A152-P154 VanDerWaalsContact O-N 3.15Å; P154-T156 PolarHBondContact O-N 3.15Å; P154-L159 HydrophobicContact CB-CD1 4.36Å; P154-L159 HydrophobicContact CB-CD2 4.41Å; P154-L159 HydrophobicContact CB-CG 3.86Å; P154-L159 HydrophobicContact CG-CD1 4.41Å; P154-L159 HydrophobicContact CG-CD2 4.45Å; P154-L159 HydrophobicContact CG-CG 4.23Å
155D47.4Very low46.4Very low84 Ų8492.8 Ų92.845%0.44951%0.51SS..  trans-52.1140.6165.3-63.9-75.9000109.8I157 K158 L159D155-I157 CarbonylContact O-C 3.55Å; D155-I157 PolarHBondContact O-N 2.79Å; D155-K158 HydrophobicContact CB-CB 4.02Å; D155-K158 HydrophobicContact CB-CD 4.13Å; D155-K158 HydrophobicContact CB-CG 3.95Å; D155-K158 WeakPolarHBondContact O-CA 3.46Å; D155-K158 WeakPolarHBondContact O-CB 3.42Å; D155-K158 PolarHBondContact O-N 2.95Å; D155-K158 WeakPolarHBondContact OD2-CD 3.36Å; D155-K158 WeakPolarHBondContact OD2-CE 3.42Å; D155-K158 IonicContact OD2-NZ 2.65Å; D155-K158 PolarHBondContact OD2-NZ 2.84Å; D155-L159 PolarHBondContact O-N 3.45Å; D155-L159 VanDerWaalsContact O-N 3.15Å
156T49.4Very low46.4Very low89 Ų8992.2 Ų92.255%0.54651%0.507SS..Hα-helixtrans-41.6-36.3168.1-47.10000111.9W77 P154W77-T156 HydrophobicContact CB-CG2 3.38Å; P154-T156 PolarHBondContact O-N 3.15Å
157I51.1Low46.4Very low116 Ų11690.8 Ų90.860%0.59550%0.499SS*.Hα-helixtrans-83.1-35.2178.6-58.5170.9000112.4D155 F160 N161D155-I157 CarbonylContact O-C 3.55Å; D155-I157 PolarHBondContact O-N 2.79Å; I157-F160 PolarHBondContact O-N 2.97Å; I157-N161 WeakPolarHBondContact O-CB 3.31Å; I157-N161 VanDerWaalsContact O-CG 3.27Å; I157-N161 PolarHBondContact O-N 3.5Å
158K51.9Low46.3Very low129 Ų12987.1 Ų87.156%0.56150%0.495SS*.Hα-helixtrans-63.5-43.3176.9-81.6175.7-176.1144.30111.6D155 N161 L162D155-K158 HydrophobicContact CB-CB 4.02Å; D155-K158 HydrophobicContact CB-CD 4.13Å; D155-K158 HydrophobicContact CB-CG 3.95Å; D155-K158 WeakPolarHBondContact O-CA 3.46Å; D155-K158 WeakPolarHBondContact O-CB 3.42Å; D155-K158 PolarHBondContact O-N 2.95Å; D155-K158 WeakPolarHBondContact OD2-CD 3.36Å; D155-K158 WeakPolarHBondContact OD2-CE 3.42Å; D155-K158 IonicContact OD2-NZ 2.65Å; D155-K158 PolarHBondContact OD2-NZ 2.84Å; K158-N161 PolarHBondContact O-N 2.65Å; K158-L162 VanDerWaalsContact O-CB 3.22Å; K158-L162 WeakPolarHBondContact O-CB 3.3Å; K158-L162 PolarHBondContact O-N 3.11Å
159L51.2Low46.1Very low22 Ų2288.8 Ų88.812%0.11550%0.504CS..Hα-helixtrans-64.1-45.5173.9-80.6177.1000111.8W77 P154 D155 N161 L162 F163W77-L159 HydrophobicContact CE3-CD1 4.3Å; W77-L159 HydrophobicContact CZ3-CD1 4.17Å; P154-L159 HydrophobicContact CB-CD1 4.36Å; P154-L159 HydrophobicContact CB-CD2 4.41Å; P154-L159 HydrophobicContact CB-CG 3.86Å; P154-L159 HydrophobicContact CG-CD1 4.41Å; P154-L159 HydrophobicContact CG-CD2 4.45Å; P154-L159 HydrophobicContact CG-CG 4.23Å; D155-L159 PolarHBondContact O-N 3.45Å; D155-L159 VanDerWaalsContact O-N 3.15Å; L159-N161 PolarHBondContact O-N 2.92Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-F163 HydrophobicContact CB-CD2 4.44Å; L159-F163 HydrophobicContact CB-CE2 4.44Å; L159-F163 HydrophobicContact CD2-CE2 4.07Å; L159-F163 WeakPolarHBondContact O-CD2 3.38Å; L159-F163 PolarHBondContact O-N 3.06Å
160F50.6Low46.1Very low73 Ų7392 Ų9232%0.3251%0.511SS..Hα-helixtrans-55-51.4176.1179-100.3000111.3L84 I157 L162 F163 T164L84-F160 HydrophobicContact CD2-CE2 4.29Å; I157-F160 PolarHBondContact O-N 2.97Å; F160-L162 PolarHBondContact O-N 3.1Å; F160-F163 PolarHBondContact O-N 2.91Å; F160-T164 HydrophobicContact CD1-CG2 4.48Å; F160-T164 HydrophobicContact CD2-CG2 4.42Å; F160-T164 HydrophobicContact CE1-CG2 4.13Å; F160-T164 HydrophobicContact CE2-CG2 4.07Å; F160-T164 HydrophobicContact CZ-CG2 3.92Å; F160-T164 WeakPolarHBondContact O-CG2 3.4Å; F160-T164 PolarHBondContact O-N 2.88Å; F160-T164 PolarHBondContact O-OG1 3.33Å; F160-T164 VanDerWaalsContact O-OG1 3.04Å
161N52.4Low46.4Very low67 Ų6798.1 Ų98.136%0.35853%0.531SS..Hα-helixtrans-63.8-37.4177.8-71.8-8.6000112.8I157 K158 L159 F163 T164 N165I157-N161 WeakPolarHBondContact O-CB 3.31Å; I157-N161 VanDerWaalsContact O-CG 3.27Å; I157-N161 PolarHBondContact O-N 3.5Å; K158-N161 PolarHBondContact O-N 2.65Å; L159-N161 PolarHBondContact O-N 2.92Å; N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 2.95Å; N161-T164 WeakPolarHBondContact CA-OG1 3.48Å; N161-T164 PolarHBondContact O-N 2.95Å; N161-T164 PolarHBondContact O-OG1 3.07Å; N161-N165 WeakPolarHBondContact O-CB 3.32Å; N161-N165 PolarHBondContact O-N 3.47Å; N161-N165 PolarHBondContact O-ND2 3.04Å
162L52.4Low46.3Very low80 Ų8098 Ų9842%0.41952%0.524SS..Hα-helixtrans-66.7-35.3176.6-165.773.4000111.4L148 K158 L159 F160 N166L148-L162 HydrophobicContact CD2-CD2 4.47Å; K158-L162 VanDerWaalsContact O-CB 3.22Å; K158-L162 WeakPolarHBondContact O-CB 3.3Å; K158-L162 PolarHBondContact O-N 3.11Å; L159-L162 PolarHBondContact O-N 2.89Å; F160-L162 PolarHBondContact O-N 3.1Å; L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.47Å; L162-N166 VanDerWaalsContact O-CB 3.3Å; L162-N166 WeakPolarHBondContact O-CB 3.35Å; L162-N166 PolarHBondContact O-N 3.04Å; L162-N166 PolarHBondContact O-ND2 3.41Å
163F52Low46Very low56 Ų56101.6 Ų101.625%0.24652%0.523CS..Hα-helixtrans-80.4-28.6176.9-75.2-61.8000114.1W77 L92 L159 F160 N161W77-F163 HydrophobicContact CZ2-CE2 4.41Å; L92-F163 HydrophobicContact CD2-CB 3.65Å; L92-F163 HydrophobicContact CD2-CD1 4.48Å; L92-F163 HydrophobicContact CD2-CD2 3.32Å; L92-F163 HydrophobicContact CD2-CE2 4.07Å; L92-F163 HydrophobicContact CD2-CG 3.58Å; L159-F163 HydrophobicContact CB-CD2 4.44Å; L159-F163 HydrophobicContact CB-CE2 4.44Å; L159-F163 HydrophobicContact CD2-CE2 4.07Å; L159-F163 WeakPolarHBondContact O-CD2 3.38Å; L159-F163 PolarHBondContact O-N 3.06Å; F160-F163 PolarHBondContact O-N 2.91Å; N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 2.95Å
164T49.6Very low46.3Very low57 Ų57101 Ų10135%0.3552%0.52SS..Hα-helixtrans-84.8-43.4177.153.90000112.7F160 N161 S167F160-T164 HydrophobicContact CD1-CG2 4.48Å; F160-T164 HydrophobicContact CD2-CG2 4.42Å; F160-T164 HydrophobicContact CE1-CG2 4.13Å; F160-T164 HydrophobicContact CE2-CG2 4.07Å; F160-T164 HydrophobicContact CZ-CG2 3.92Å; F160-T164 WeakPolarHBondContact O-CG2 3.4Å; F160-T164 PolarHBondContact O-N 2.88Å; F160-T164 PolarHBondContact O-OG1 3.33Å; F160-T164 VanDerWaalsContact O-OG1 3.04Å; N161-T164 WeakPolarHBondContact CA-OG1 3.48Å; N161-T164 PolarHBondContact O-N 2.95Å; N161-T164 PolarHBondContact O-OG1 3.07Å; T164-S167 WeakPolarHBondContact O-CB 3.36Å; T164-S167 PolarHBondContact O-OG 3.29Å
165N49Very low46Very low105 Ų105107.5 Ų107.556%0.56155%0.547SS*.Hα-helixtrans-76.3-28.9-175.2-61.4-20.9000112.5N161 S167N161-N165 WeakPolarHBondContact O-CB 3.32Å; N161-N165 PolarHBondContact O-N 3.47Å; N161-N165 PolarHBondContact O-ND2 3.04Å; N165-S167 PolarHBondContact O-N 2.75Å
166N42.2Very low45.8Very low105 Ų105110.4 Ų110.456%0.56156%0.563SS**THydrogen-bonded Turntrans-7836.2172.3-70.6-58.5000113.5L162 G168L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.47Å; L162-N166 VanDerWaalsContact O-CB 3.3Å; L162-N166 WeakPolarHBondContact O-CB 3.35Å; L162-N166 PolarHBondContact O-N 3.04Å; L162-N166 PolarHBondContact O-ND2 3.41Å; N166-G168 PolarHBondContact O-N 3.39Å
167S44Very low45.5Very low80 Ų80114.9 Ų114.956%0.55957%0.571SS**G310 helixtrans-73.614.7174420000114T164 N165 L169 K170T164-S167 WeakPolarHBondContact O-CB 3.36Å; T164-S167 PolarHBondContact O-OG 3.29Å; N165-S167 PolarHBondContact O-N 2.75Å; S167-L169 PolarHBondContact O-N 2.96Å; S167-L169 VanDerWaalsContact O-N 3.1Å; S167-K170 PolarHBondContact O-N 3.26Å
168G37.5Very low45.2Very low63 Ų63113.3 Ų113.365%0.64957%0.571SS**G310 helixtrans-62.4-9.3174.900000115.9N166 K170N166-G168 PolarHBondContact O-N 3.39Å; G168-K170 PolarHBondContact O-N 3.19Å
169L41.2Very low44.9Very low130 Ų130115.8 Ų115.868%0.68158%0.581SS**G310 helixtrans-62.92.3171.8-98.6151.5000114.8S167 K171S167-L169 PolarHBondContact O-N 2.96Å; S167-L169 VanDerWaalsContact O-N 3.1Å; L169-K171 PolarHBondContact O-N 3.16Å
170K41.5Very low44.3Very low189 Ų189124.6 Ų124.682%0.82262%0.615SS**THydrogen-bonded Turntrans-7338.2174.8-159.1-174.8176-178.20113.7S167 G168S167-K170 PolarHBondContact O-N 3.26Å; G168-K170 PolarHBondContact O-N 3.19Å
171K40.6Very low43.8Very low190 Ų190125.5 Ų125.583%0.82663%0.626SS**THydrogen-bonded Turntrans-137.36.3-175.9-75.2-165.3175.5-174.90116.1L169L169-K171 PolarHBondContact O-N 3.16Å
172H36.6Very low43.1Very low161 Ų161131.9 Ų131.975%0.74565%0.647SS**SBendtrans-141.515.2-175.2-138.1-60.1000116.7
173Y37.7Very low42.7Very low151 Ų151136.9 Ų136.959%0.59267%0.665SS**SBendtrans-112.6-14-175.5-83.6-81.9000115.9
174D44.7Very low42.2Very low134 Ų134141 Ų14172%0.71768%0.684SS**Hα-helixtrans-77.8-27.6-170.4-68.8-52.1000114.7N176D174-N176 PolarHBondContact O-N 3.29Å
175E43.7Very low42.1Very low176 Ų176143 Ų14382%0.82269%0.69SS**Hα-helixtrans-74.6-25.7-171.4-64.3-167.3131.200114.8
176N42.4Very low41.7Very low146 Ų146145.6 Ų145.678%0.78170%0.696SS**Hα-helixtrans-103.1-14.2-173.5-80.6-69.4000115.1D174D174-N176 PolarHBondContact O-N 3.29Å
177Y43.2Very low41.6Very low183 Ų183148.6 Ų148.672%0.71870%0.7SS**Hα-helixtrans-91.4-14.6-178.4-105.8-86.6000115.1K179Y177-K179 PolarHBondContact O-N 3.34Å
178S44.8Very low41.5Very low83 Ų83151.6 Ų151.658%0.5870%0.699SS**THydrogen-bonded Turntrans-67-7.5-175.6-157.20000114.9Y180 T181S178-Y180 PolarHBondContact O-N 3.04Å; S178-T181 PolarHBondContact O-OG1 2.95Å
179K45.2Very low41.9Very low181 Ų181154.1 Ų154.179%0.78769%0.693SS**THydrogen-bonded Turntrans-80.4-10.6-175.8-157.5165.3-175.2172.40115.2Y177Y177-K179 PolarHBondContact O-N 3.34Å
180Y38.4Very low41.9Very low207 Ų207156.4 Ų156.481%0.81270%0.698SS**SBendtrans-112.3-2.3-173-75.5-75.2000116.1S178S178-Y180 PolarHBondContact O-N 3.04Å
181T40.9Very low42.2Very low91 Ų91154.8 Ų154.856%0.55869%0.693SS**  trans-87.2-13179.848.50000114.3S178 K183 H184S178-T181 PolarHBondContact O-OG1 2.95Å; T181-K183 PolarHBondContact O-N 3.49Å; T181-H184 PolarHBondContact O-N 3.5Å
182Y37.4Very low42.5Very low202 Ų202153 Ų15379%0.79269%0.688SS**THydrogen-bonded Turntrans-71.728.5-163.1-132-88.7000117.1
183K43.4Very low43Very low184 Ų184153.9 Ų153.980%0.869%0.69SS**THydrogen-bonded Turntrans-135.5-0.9175.9-72.7-169177179.40115.7T181T181-K183 PolarHBondContact O-N 3.49Å
184H42.7Very low43.3Very low142 Ų142155.9 Ų155.966%0.65770%0.704SS**THydrogen-bonded Turntrans-100-29.9176.1-102.5-92.3000114.6T181T181-H184 PolarHBondContact O-N 3.5Å
185E46.4Very low43Very low99 Ų99157.5 Ų157.546%0.46371%0.708SS.*Hα-helixtrans-65.8-47.2-178.3-126.952.7-100.700113.5R187 R188E185-R187 PolarHBondContact O-N 2.8Å; E185-R188 PolarHBondContact O-N 3.23Å; E185-R188 IonicContact OE1-CZ 3.25Å; E185-R188 VanDerWaalsContact OE1-CZ 3.25Å; E185-R188 IonicContact OE1-NE 3.06Å; E185-R188 PolarHBondContact OE1-NE 3.46Å; E185-R188 IonicContact OE1-NH2 2.66Å; E185-R188 PolarHBondContact OE1-NH2 2.86Å; E185-R188 IonicContact OE2-NH2 3.79Å
186K40.6Very low42.8Very low160 Ų160159.6 Ų159.670%0.69671%0.71SS**Hα-helixtrans-68.720.7-179.2-87.6-174.1173.1-178.70116.2E189K186-E189 WeakPolarHBondContact CG-OE2 3.48Å
187R40.9Very low42.8Very low169 Ų169160.6 Ų160.664%0.63871%0.714SS**Hα-helixtrans-111.4-36.9163.8-77.7-174.7173143.7-2.2112.8E185 K190E185-R187 PolarHBondContact O-N 2.8Å; R187-K190 PolarHBondContact O-N 3.34Å
188R42Very low42.6Very low143 Ų143157.7 Ų157.754%0.5472%0.717SS.*Hα-helixtrans-66-40.4179.7-62.6-162.6-79.4-174.9-3112E185 K190 E191 E192E185-R188 PolarHBondContact O-N 3.23Å; E185-R188 IonicContact OE1-CZ 3.25Å; E185-R188 VanDerWaalsContact OE1-CZ 3.25Å; E185-R188 IonicContact OE1-NE 3.06Å; E185-R188 PolarHBondContact OE1-NE 3.46Å; E185-R188 IonicContact OE1-NH2 2.66Å; E185-R188 PolarHBondContact OE1-NH2 2.86Å; E185-R188 IonicContact OE2-NH2 3.79Å; R188-K190 PolarHBondContact O-N 2.99Å; R188-E191 PolarHBondContact O-N 2.91Å; R188-E192 PolarHBondContact O-N 3.3Å
189E44.9Very low42.1Very low115 Ų115162 Ų16254%0.53773%0.733SS.*THydrogen-bonded Turntrans-60.72.8173.9-57178.214000115.4K186K186-E189 WeakPolarHBondContact CG-OE2 3.48Å
190K43.2Very low41.8Very low178 Ų178161.3 Ų161.377%0.77474%0.737SS**THydrogen-bonded Turntrans-119-7.7174.5-86.2-160.4168.5-160.50115.1R187 R188R187-K190 PolarHBondContact O-N 3.34Å; R188-K190 PolarHBondContact O-N 2.99Å
191E46.4Very low41.7Very low155 Ų155158.4 Ų158.472%0.72474%0.736SS**THydrogen-bonded Turntrans-103.1-22.2179.4-70.4164.117400110.6R188 K193R188-E191 PolarHBondContact O-N 2.91Å; E191-K193 VanDerWaalsContact C-N 3.26Å; E191-K193 PolarHBondContact O-N 3.36Å; E191-K193 VanDerWaalsContact O-N 3.14Å
192E47.9Very low41.7Very low153 Ų153161.8 Ų161.872%0.71575%0.745SS**THydrogen-bonded Turntrans-83.833.8176.7-61.6170.516700114R188R188-E192 PolarHBondContact O-N 3.3Å
193K45.7Very low41.3Very low180 Ų180157.8 Ų157.878%0.78374%0.737SS**THydrogen-bonded Turntrans-133.17.5-177.1-74.8-164.2175.3-1740116.7E191E191-K193 VanDerWaalsContact C-N 3.26Å; E191-K193 PolarHBondContact O-N 3.36Å; E191-K193 VanDerWaalsContact O-N 3.14Å
194E44Very low40.9Very low192 Ų192155.8 Ų155.890%0.89773%0.731SS**SBendtrans-113.40.7175.8-62.6-172.7154.800113
195E40.2Very low40.4Very low169 Ų169156.1 Ų156.179%0.7973%0.732SS**  trans-103.356-177.6-164.3174.5-163.900112.5
196Y37.5Very low40Very low220 Ų220158.3 Ų158.386%0.86374%0.743SS**  trans-16169.5172.9-124.1-71.1000115.2
197L43.9Very low39.8Very low167 Ų167158.9 Ų158.987%0.87475%0.748SS**  trans-144.8143150.1-83.5-171.7000111
198P39.5Very low39.3Very low121 Ų121158 Ų15879%0.78676%0.756SS**  trans-85158.9-164.9-12.431.3000115.5L200P198-L200 PolarHBondContact O-N 2.91Å
199L33.2Very low39.2Very low174 Ų174156 Ų15691%0.91176%0.761SS**  trans-69.6117.9174.2-169.880.5000111.7
200L38.2Very low38.6Very low166 Ų166157.8 Ų157.887%0.86977%0.773SS**  trans-167.3106159.2-111.6167.8000110.5P198P198-L200 PolarHBondContact O-N 2.91Å
201D36.4Very low38.4Very low147 Ų147158.1 Ų158.179%0.78678%0.775SS**  trans-136.6129.5159.2-170.4-5.9000108.2
202H40.7Very low38.1Very low161 Ų161158.2 Ų158.275%0.74578%0.775SS**  trans-147.491.3177.4-110.653.5000110.8
203N29.8Very low37.6Very low118 Ų118157.3 Ų157.363%0.63178%0.776SS**  trans74.7135.9144.2-93.8-71.2000120.1
204Q34.8Very low37.1Very low143 Ų143154.9 Ų154.967%0.66877%0.771SS**  trans84.798.2145.1-68.4170.156.400120.6
205Q33.4Very low36.7Very low148 Ų148152.5 Ų152.569%0.69277%0.765SS**  96.5143.6115.7-72.5172.68.300121.2
206H36.9Very low36.7Very low146 Ų146152.7 Ų152.768%0.67677%0.766SS**  trans81.499.7153-70.3-50.1000123
207Q35.8Very low36.8Very low171 Ų171150.1 Ų150.180%0.79976%0.761SS**  90.1103.4125.9-62.7-173.264.600121.3
208N30.7Very low36.2Very low151 Ų151151.9 Ų151.981%0.80776%0.758SS**  trans-70.9-178.9147.9-80.3-44.9000111.6
209P40.9Very low36.2Very low101 Ų101152 Ų15266%0.65676%0.761SS**  cis-135.4-171.1-45.138.6-22.2000111.6
210L30.8Very low36.5Very low152 Ų152152 Ų15280%0.79676%0.757SS**  trans168.6165.7130.5-95.8163.2000115.7
211K39.5Very low36.5Very low186 Ų186148.6 Ų148.681%0.80975%0.747SS**  trans78.8142.4170.7-56.2179.4-176.8176.20116.7
212Q39.3Very low36.3Very low156 Ų156148.7 Ų148.773%0.72975%0.747SS**  cis159.3115.3-25.7-106.4173.9-22.900106.7
213N37.6Very low36Very low135 Ų135152.4 Ų152.472%0.72276%0.755SS**  154.6112124.8-84.1-29000115.6
214N35.2Very low36.1Very low129 Ų129152.4 Ų152.469%0.6976%0.763SS**  29121.7124.7-48.1-12.2000120
215N36.8Very low36.2Very low142 Ų142153.1 Ų153.176%0.75977%0.769SS**  176.3152.391.9-97.2-39.8000114.8
216Q40.7Very low36.3Very low173 Ų173153.8 Ų153.881%0.80878%0.776SS**  trans59.1154161.9-64.2167.811.600118.9
217Q38.7Very low36.1Very low166 Ų166153.3 Ų153.378%0.77678%0.779SS**  -176.1123.7-52.1-112-173.7-30.800107.1
218Y30.9Very low36.1Very low203 Ų203153.2 Ų153.280%0.79678%0.778SS**  trans39.4112.1159.8-65.9-82.4000122
219S39.1Very low36.3Very low123 Ų123155.5 Ų155.586%0.8678%0.776SS**  -169.8149.9102.7-78.50000112.8
220Q41.4Very low35.8Very low175 Ų175158 Ų15882%0.81879%0.785SS**  trans-92.1168.8178.2-60.3162.7-96.200110.1
221S37.9Very low36.3Very low94 Ų94158 Ų15866%0.65778%0.78SS**  cis-154158.518.1-28.60000114.5
222D32.5Very low36Very low150 Ų150157.6 Ų157.680%0.80278%0.781SS**  trans67.266.1140.7-51.4-15.6000121.4
223R34Very low36.1Very low239 Ų239158.7 Ų158.790%0.90279%0.786SS**  trans-138.6167.3140.3-73.6-164.3176.9-176.70.6110.2
224C31.9Very low35.9Very low118 Ų118160.4 Ų160.480%0.79779%0.789SS**  trans73.2133.2-164.6-53.10000111.6
225I35.6Very low36.2Very low157 Ų157161.6 Ų161.681%0.80579%0.794SS**  cis67.4103.942.1-50.7172.9000112.1
226I36.6Very low36.2Very low162 Ų162160.6 Ų160.683%0.83180%0.795SS**  trans-179.2158.7133.9-95.4161.2000110.8
227N31.7Very low35.7Very low137 Ų137161.8 Ų161.873%0.73379%0.794SS**  trans-73.5179.8-171.3-64.8-33.1000116.7
228H35.7Very low36.1Very low168 Ų168160.4 Ų160.478%0.77880%0.796SS**  trans75.2130.1166.4-67.620000114.7
229Y35.2Very low36.5Very low199 Ų199153.9 Ų153.978%0.7878%0.779SS**  -146.5146.656.9-103.1-92.6000114
230N31.9Very low36.3Very low155 Ų155154.6 Ų154.683%0.82977%0.773SS**  trans-91.8151.2156.1-106.7-15.5000109.3
231H39.4Very low36.3Very low152 Ų152154.5 Ų154.570%0.70477%0.772SS**  trans-135.5119.3163.3-10142.1000109
232Q34.8Very low36.1Very low176 Ų176158.2 Ų158.282%0.82278%0.779SS**  trans-89.4135.8167.3-70.2173.3-50.700108.6
233H40Very low36.3Very low180 Ų180161.2 Ų161.283%0.83378%0.781SS**  trans-112.9117.2156.1-83-75000108.2
234H34.6Very low36.4Very low171 Ų171154.9 Ų154.979%0.79277%0.765SS**  trans-97.4132.5178.4-142.1-59.5000108.4
235I40.9Very low36.5Very low153 Ų153156.6 Ų156.679%0.78576%0.761SS**  trans-128.6141.6163.7-68.7-174.7000107.6
236P37.8Very low36.5Very low122 Ų122155.1 Ų155.179%0.79276%0.759SS**  trans-89173.9-163.8-8.429.2000114.6
237Y28.6Very low36.6Very low198 Ų198152.9 Ų152.978%0.77676%0.755SS**  trans-107.7137.3-177.2177.1-95000110.9P239Y237-P239 HydrophobicContact CE1-CB 4.47Å; Y237-P239 HydrophobicContact CE1-CG 3.77Å
238V48.3Very low36.8Very low137 Ų137154 Ų15483%0.8376%0.761SS**  trans-145.6121.7167.7-176.90000109.2
239P38Very low36.7Very low66 Ų66153.1 Ų153.143%0.42976%0.757SS.*  trans-100.4150.6162.837.4-28.9000110.8Y237Y237-P239 HydrophobicContact CE1-CB 4.47Å; Y237-P239 HydrophobicContact CE1-CG 3.77Å
240D36.6Very low36.8Very low137 Ų137150.3 Ų150.373%0.73375%0.751SS**  166.8169.9113.1-99.6-28000114.4
241H40.6Very low36.9Very low173 Ų173149.9 Ų149.980%0.80174%0.744SS**  trans90.5126.2163.2-54.1-49.4000119.4
242Q33.1Very low36.6Very low173 Ų173149 Ų14981%0.80874%0.744SS**  trans-79.9166.3176.6-53.4137.1-89.100111
243Y37.2Very low36.9Very low212 Ų212149.9 Ų149.983%0.83175%0.748SS**  -170.4122.9117.2-108.1-72.8000113.1
244N36.1Very low36.5Very low106 Ų106148.6 Ų148.657%0.56774%0.742SS**  trans40.8123.9147.6-72.5-6.5000124.5
245Q34.9Very low36.6Very low155 Ų155148.7 Ų148.772%0.72475%0.747SS**  67.5150.3116.2-61.5172.532.600119.6
246T34.9Very low36Very low125 Ų125148 Ų14877%0.76774%0.74SS**  cis-151.6165.80.50.90000109.2
247P38.2Very low35.9Very low115 Ų115148.5 Ų148.575%0.74774%0.742SS**  trans-102.1166.8-174.639.6-33.3000114.5
248L35.4Very low36.1Very low161 Ų161144.6 Ų144.684%0.84374%0.738SS**  trans-158.8164.7160.4-113166.6000113.8
249Q34.4Very low35.4Very low149 Ų149145.6 Ų145.670%0.69674%0.738SS**  trans-79.3170.1-171.3-62.4147.7-6000112
250H37.1Very low35Very low141 Ų141147.8 Ų147.865%0.65376%0.756SS**  -172.915855.7-115-68.7000115
251Q34.7Very low34.9Very low146 Ų146147.5 Ų147.568%0.68276%0.758SS**  trans58.4110.2145.2-83.6159.3-1500123.1
252D31.8Very low34.4Very low134 Ų134144.7 Ų144.772%0.71775%0.753SS**  42.8133112-55.8-56.7000122.2
253H41.3Very low34.3Very low194 Ų194142.3 Ų142.390%0.89876%0.755SS**  -163.4158108.6-91.3-43.1000113
254H32Very low33.9Very low153 Ų153143 Ų14371%0.70876%0.756SS**  trans-70.1157-174.6-89.2-113.4000114.8H256H254-H256 AromaticContact ND1-CD2 4Å; H254-H256 AromaticContact ND1-NE2 3.82Å
255L36.4Very low33.8Very low172 Ų172147.1 Ų147.190%0.90177%0.769SS**  -161.9149.4117-106.7166.7000113
256H29.5Very low33.7Very low138 Ų138148.5 Ų148.564%0.63977%0.773SS**  trans-88.3154.8-179.3-73-112.7000112.4H254H254-H256 AromaticContact ND1-CD2 4Å; H254-H256 AromaticContact ND1-NE2 3.82Å
257T34.1Very low33.6Very low134 Ų134148.3 Ų148.382%0.82277%0.767SS**  trans-151.2129.2134.8-75.30000109.5
258V32.9Very low33.4Very low116 Ų116149.4 Ų149.470%0.70377%0.766SS**  trans-91150.9174-72.70000110.7
259N34.1Very low33.4Very low157 Ų157148.8 Ų148.884%0.8476%0.763SS**  trans-165.397.8151.8-99.4-39.6000110.6
260S29.6Very low33.3Very low113 Ų113146.4 Ų146.479%0.7976%0.762SS**  trans-104.8130.7167.352.50000109.6
261V35.3Very low33.2Very low130 Ų130146 Ų14679%0.78877%0.77SS**  trans-117.5102.6179.3-178.70000109.6
262T29.4Very low33.2Very low114 Ų114143.9 Ų143.970%0.69977%0.771SS**  trans-84133.6172.9-61.20000109.9R264T262-R264 HydrophobicContact CG2-CG 4.41Å
263C31.7Very low33.5Very low123 Ų123143.3 Ų143.383%0.83177%0.773SS**  trans-132.3103.9166.9-87.90000111.7
264R29Very low33.4Very low226 Ų226139.1 Ų139.185%0.85377%0.765SS**  trans-89.3142.4166.2-64.1175.4175.3170-3109.6T262T262-R264 HydrophobicContact CG2-CG 4.41Å
265K33.9Very low33.9Very low193 Ų193136.4 Ų136.484%0.83976%0.764SS**  trans-156.2114.6144.7-106.4164-179.4177.80108.2
266F32.4Very low34Very low185 Ų185133.6 Ų133.681%0.81176%0.758SS**  72.5138.389.9-91.3-116000113.2
267N32.6Very low34.7Very low120 Ų120132.4 Ų132.464%0.64276%0.763SS**  cis-171169.9-18.3-159.911.4000110
268L34.4Very low34.8Very low138 Ų138130.7 Ų130.772%0.72376%0.756SS**  trans70.4157.3167.8-50.9178.2000115.6
269L34.7Very low35Very low149 Ų149130.2 Ų130.278%0.7876%0.758SS**  cis-132.3164.411.9-172.760.4000112.6
270S32.3Very low35.1Very low98 Ų98128.3 Ų128.369%0.68575%0.752SS**  trans-125.6146.7-169.5-45.10000114
271T34.4Very low35.3Very low132 Ų132128.8 Ų128.881%0.8175%0.751SS**  trans-164.9110.1154.320.30000107.7
272S36Very low35.5Very low103 Ų103130.2 Ų130.272%0.7275%0.752SS**  88.8137.684.174.10000112.3
273T37.7Very low35.7Very low121 Ų121133 Ų13374%0.74276%0.757SS**  cis-151.1157.422.848.80000113.6
274S39.4Very low36.2Very low107 Ų107132.2 Ų132.275%0.74875%0.751SS**  trans31.3147.114362.60000122.9
275S41.1Very low36.7Very low96 Ų96127 Ų12767%0.67174%0.744SS**  cis-176.8128.1-2.444.60000109.5
276S40.4Very low37.1Very low113 Ų113123.6 Ų123.679%0.7974%0.74SS**  89.5166.594.6-45.50000114.1
277P44.2Very low37.1Very low112 Ų112121.1 Ų121.173%0.72774%0.735SS**  -141.8178.6-94.639.5-18.1000118.2
278S36.3Very low37.6Very low99 Ų99120.5 Ų120.569%0.69274%0.74SS**  trans37.3132.6145.160.70000121.5
279S35.8Very low37.8Very low106 Ų106121.9 Ų121.974%0.74174%0.743SS**  -179.5169.374.7-550000108.3
280T37.4Very low37.8Very low116 Ų116123.3 Ų123.371%0.71274%0.743SS**  cis-174.6122.645.1-64.10000107.1
281T33.5Very low38Very low123 Ų123123.8 Ų123.876%0.75574%0.743SS**  62.8121.392.9-340000118.2
282I39.6Very low38Very low160 Ų160125.2 Ų125.282%0.82175%0.745SS**  165.5145.2129.5-84.4164.3000111.8
283Q33.5Very low37.6Very low173 Ų173124.9 Ų124.981%0.80874%0.742SS**  trans-150.8-166.4-179.7-104.6-144.2-600107.9
284P41.3Very low37.3Very low107 Ų107127.6 Ų127.670%0.69575%0.746SS**  cis-106.1-143.8-9.319.85.9000110
285T38.6Very low36.7Very low115 Ų115127.4 Ų127.471%0.70675%0.745SS**  cis-143.3-176.613.347.40000109.2
286T43Very low36.3Very low123 Ų123131 Ų13176%0.75576%0.755SS**  cis-132.5-135.717.755.20000114.4
287D33.6Very low35.6Very low133 Ų133129.6 Ų129.671%0.71175%0.745SS**  trans-149.6-166.8-133.4-56.1-83.3000113.8
288S41.5Very low34.8Very low106 Ų106132.8 Ų132.874%0.74175%0.75SS**  trans69.7105.8-172.366.50000115
289E38.3Very low34.5Very low168 Ų168132.4 Ų132.479%0.78575%0.753SS**  85.3132.165.5-80.6-174.2165.400113.2
290F35Very low34Very low179 Ų179136.2 Ų136.279%0.78577%0.765SS**  cis-136160.7-0.2-109.6-87.2000109.7
291P37.3Very low33.6Very low107 Ų107137 Ų13770%0.69576%0.764SS**  trans-110.7176.5-176.940-29.5000114.2
292I33.4Very low33.4Very low163 Ų163136.7 Ų136.784%0.83676%0.758SS**  trans-166.5140.7137.6-100.7151.3000111.9
293S28.3Very low33Very low96 Ų96135.8 Ų135.867%0.67176%0.755SS**  trans-18.2156.9162.5-42.80000118.5
294Q31.3Very low32.8Very low177 Ų177135.1 Ų135.183%0.82776%0.757SS**  cis-169.9149.739.1-147154.933.600114.1
295S28.2Very low32.2Very low104 Ų104135.9 Ų135.973%0.72776%0.755SS**  trans14.7133.1153.1-47.10000123.3
296I31.3Very low31.9Very low172 Ų172138.3 Ų138.388%0.88276%0.764SS**  -174.5162104.2-93.8163.4000110.6
297S26.5Very low31.2Very low83 Ų83139.9 Ų139.958%0.5877%0.768SS**  trans-115.8171.8-165.948.20000115.3
298E26.6Very low31.2Very low178 Ų178139.1 Ų139.183%0.83277%0.773SS**  trans81.6158.9149.3-75.6152.4123.300122.7
299A29.5Very low30.8Very low91 Ų91140.7 Ų140.775%0.75277%0.771SS**  trans68.560.4159.400000120D301A299-D301 VanDerWaalsContact C-N 3.31Å; A299-D301 PolarHBondContact O-N 3.27Å; A299-D301 VanDerWaalsContact O-N 3.16Å
300L27.1Very low30.3Very low187 Ų187143.2 Ų143.298%0.97978%0.775SS**  trans-75.185.8145.8-80.5175.8000109.4
301D29Very low30.1Very low131 Ų131140.4 Ų140.470%0.70178%0.777SS**  trans-144.7133.4178.8-15323.1000114A299A299-D301 VanDerWaalsContact C-N 3.31Å; A299-D301 PolarHBondContact O-N 3.27Å; A299-D301 VanDerWaalsContact O-N 3.16Å
302N27.8Very low29.6Very low118 Ų118142 Ų14263%0.63178%0.777SS**  trans41.5106.5162.7-65.1-55.2000121
303N31.8Very low29.5Very low140 Ų140137.6 Ų137.675%0.74977%0.771SS**  trans-152.7103.2132.7-120.7-46.2000114.6N305N303-N305 PolarHBondContact O-N 3.09Å; N303-N305 VanDerWaalsContact O-N 3.17Å; N303-N305 PolarHBondContact OD1-ND2 3.36Å
304N28.9Very low29.6Very low160 Ų160142.3 Ų142.386%0.85678%0.775SS**  trans-83.279.8173.4-92-63.5000111
305N29.5Very low29.8Very low122 Ų122140.4 Ų140.465%0.65277%0.768SS**  trans-121.279.7176.3-79.2-39.8000112N303N303-N305 PolarHBondContact O-N 3.09Å; N303-N305 VanDerWaalsContact O-N 3.17Å; N303-N305 PolarHBondContact OD1-ND2 3.36Å
306N31.6Very low29.9Very low167 Ų167141.4 Ų141.489%0.89377%0.766SS**  trans-133.544.5170.8-92.5-46.4000112.1S308N306-S308 VanDerWaalsContact C-N 3.3Å; N306-S308 PolarHBondContact O-N 3.34Å
307N29.4Very low29.9Very low156 Ų156140.6 Ų140.683%0.83476%0.763SS**  trans-81.776.8161.4-81.7-18.7000109.2I309N307-I309 PolarHBondContact O-N 3.13Å
308S33.9Very low30.2Very low117 Ų117140.3 Ų140.382%0.81877%0.773SS**PPolyproline II helixtrans-72.8117.8164.3-169.90000108.5N306N306-S308 VanDerWaalsContact C-N 3.3Å; N306-S308 PolarHBondContact O-N 3.34Å
309I32.9Very low30.3Very low138 Ų138137.4 Ų137.471%0.70877%0.773SS**PPolyproline II helixtrans-89.7135.9-173.1-69.3174.6000109.7N307 C311N307-I309 PolarHBondContact O-N 3.13Å; I309-C311 PolarHBondContact O-N 3.41Å
310Y27.6Very low30.4Very low221 Ų221141.1 Ų141.187%0.86778%0.779SS**PPolyproline II helixtrans-63.1120.3169.3-101.4-107.8000110.6
311C30.7Very low30.5Very low121 Ų121137.7 Ų137.782%0.81877%0.766SS**  trans-119.8108.2163.2-70.90000108.7I309I309-C311 PolarHBondContact O-N 3.41Å
312M26.8Very low30.7Very low141 Ų141137.9 Ų137.970%0.69576%0.764SS**  trans-104.9133.9164.8-88.8-71.6-66.200108
313G30.6Very low30.9Very low70 Ų70140.1 Ų140.172%0.72277%0.768SS**  trans-133.3142.4172.300000109.3
314Y30.5Very low30.7Very low194 Ų194140.7 Ų140.776%0.76177%0.771SS**  trans-105.8-171.5-170.1-78.9-86.5000112.7
315M34.8Very low30.5Very low138 Ų138138.4 Ų138.468%0.6877%0.768SS**  trans90.4109.2-179.8-52.5-65.199.600112.4
316N31.6Very low30.2Very low125 Ų125138.3 Ų138.367%0.66878%0.776SS**  77.8146.360.9-64.13.5000110.9
317D31.2Very low29.9Very low155 Ų155135 Ų13583%0.82977%0.767SS**  cis-153.5176.5-0.532.8-98.4000109.8
318G33.1Very low29.9Very low77 Ų77137.7 Ų137.779%0.79477%0.771SS**  trans150.2103.4170.300000116.9
319S28.7Very low29.5Very low117 Ų117138 Ų13882%0.81876%0.763SS**  trans-45.6140.9175.4-55.40000117.3
320L30.6Very low29.3Very low169 Ų169142.6 Ų142.689%0.88577%0.772SS**  -164.2165.9111.1-103.7168.1000111.9
321T30Very low29.4Very low115 Ų115136.6 Ų136.671%0.70676%0.761SS**  trans-123.7163.6-161.559.80000114.5
322M32.3Very low29.3Very low134 Ų134139.3 Ų139.366%0.6676%0.761SS**  trans94.8105.6162.5-59.4-75.895.900120
323K32.5Very low29.3Very low165 Ų165140.1 Ų140.172%0.71777%0.768SS**  70.699.2127-65.4169.6177.4158.90120.5
324N26.9Very low29.2Very low153 Ų153142.3 Ų142.382%0.81877%0.771SS**  trans71.1161.9134.7-62.96.4000119.6
325S24.7Very low29.1Very low112 Ų112138 Ų13878%0.78377%0.767SS**  trans80.597.6173.5-47.50000116.6
326S24.7Very low29Very low119 Ų119136.1 Ų136.183%0.83276%0.759SS**  trans57.4119137.1-54.80000121.5
327S24.5Very low29.2Very low98 Ų98137.4 Ų137.469%0.68576%0.761SS**  trans62.1106.2142.8-179.90000118.9
328F28.7Very low29.4Very low213 Ų213137.4 Ų137.493%0.93476%0.756SS**  -139151.7128-117.4-82.3000111.2
329I26.5Very low29.5Very low124 Ų124139.5 Ų139.564%0.63675%0.745SS**  trans-105.7144.1-169.5-66.7167.6000110
330Y28.4Very low29.7Very low233 Ų233140.2 Ų140.291%0.91473%0.734SS**  trans-133.8134.8141-102.8-83.2000109.9
331P30.1Very low29.9Very low96 Ų96139.1 Ų139.162%0.62372%0.722SS**  trans-105.6158.3-171.839.3-33.3000113.5
332E27.5Very low30.4Very low177 Ų177136.6 Ų136.683%0.82771%0.709SS**  173.1172126.4-97.2-175.7-176.800111.8
333L27.9Very low30.8Very low158 Ų158133.9 Ų133.983%0.82770%0.703SS**  trans63.355.1169.6-54.8-178.3000118
334C27.5Very low31.4Very low117 Ų117128.7 Ų128.779%0.79168%0.682SS**  trans-138.585.8157.8-88.40000111.7
335P28.7Very low32.4Very low104 Ų104123.6 Ų123.668%0.67566%0.659SS**  trans-77.6170.3171.437.8-37.8000111.4Q337P335-Q337 PolarHBondContact O-N 3.1Å
336N32.5Very low33.7Very low97 Ų97121.2 Ų121.252%0.51964%0.642SS.*  trans75.73.3169.3-5042000119.2H338 E339 F340N336-H338 PolarHBondContact O-N 2.95Å; N336-E339 VanDerWaalsContact CG-OE2 3.28Å; N336-E339 PolarHBondContact ND2-OE2 2.89Å; N336-E339 PolarHBondContact O-N 3.02Å; N336-F340 PolarHBondContact O-N 3.47Å
337Q36Very low34.6Very low153 Ų153123.1 Ų123.172%0.71563%0.632SS**Hα-helixtrans-63.9-22.6167.4-80.3-146.73.200113.8P335P335-Q337 PolarHBondContact O-N 3.1Å
338H35.2Very low35.8Very low154 Ų154120.8 Ų120.871%0.71361%0.612SS**Hα-helixtrans-73.7-46175.1-163.1-76.4000111.7N336 F340 K341 S342N336-H338 PolarHBondContact O-N 2.95Å; H338-F340 VanDerWaalsContact C-N 3.3Å; H338-F340 PolarHBondContact O-N 3.04Å; H338-K341 PolarHBondContact O-N 3.03Å; H338-S342 PolarHBondContact O-N 3.24Å; H338-S342 PolarHBondContact O-OG 3.05Å
339E35.3Very low37.1Very low121 Ų121113.9 Ų113.957%0.56559%0.585SS**Hα-helixtrans-59-39.5179.3-64.7-175.2152.800112.4N336 K341 S342 S343N336-E339 VanDerWaalsContact CG-OE2 3.28Å; N336-E339 PolarHBondContact ND2-OE2 2.89Å; N336-E339 PolarHBondContact O-N 3.02Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.43Å; E339-S342 PolarHBondContact O-N 2.55Å; E339-S343 WeakPolarHBondContact O-CB 3.37Å; E339-S343 PolarHBondContact O-N 3.34Å
340F33.3Very low38.4Very low132 Ų132112.5 Ų112.558%0.57958%0.579SS**Hα-helixtrans-63.7-39.1179.5-163.1-104.2000112.1N336 H338 S343 I344N336-F340 PolarHBondContact O-N 3.47Å; H338-F340 VanDerWaalsContact C-N 3.3Å; H338-F340 PolarHBondContact O-N 3.04Å; F340-S343 PolarHBondContact O-N 3.28Å; F340-I344 HydrophobicContact CD1-CD1 3.9Å; F340-I344 HydrophobicContact CE1-CD1 3.61Å; F340-I344 HydrophobicContact CZ-CD1 4.3Å; F340-I344 WeakPolarHBondContact O-CG1 3.31Å; F340-I344 PolarHBondContact O-N 3.36Å; F340-I344 VanDerWaalsContact O-N 3.07Å
341K35.3Very low39.8Very low147 Ų147104.3 Ų104.364%0.63955%0.55SS**Hα-helixtrans-68.1-42.2174.3-69.7-177176.5-1770111.9H338 E339 S343 I344 S345H338-K341 PolarHBondContact O-N 3.03Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.43Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.19Å; K341-I344 PolarHBondContact O-N 3.36Å; K341-S345 PolarHBondContact O-N 3.26Å
342S39.6Very low40.8Very low61 Ų61102.2 Ų102.243%0.42753%0.53SS..Hα-helixtrans-61.5-39.1173.4-60.40000112.4H338 E339 S345 S346H338-S342 PolarHBondContact O-N 3.24Å; H338-S342 PolarHBondContact O-OG 3.05Å; E339-S342 PolarHBondContact O-N 2.55Å; S342-S345 PolarHBondContact O-N 3.17Å; S342-S346 WeakPolarHBondContact O-CB 3.34Å; S342-S346 PolarHBondContact O-N 3.05Å
343S40.8Very low42.3Very low78 Ų7899 Ų9955%0.54552%0.515SS..Hα-helixtrans-68.8-33.7177.6-172.80000112.8E339 F340 K341 Y347E339-S343 WeakPolarHBondContact O-CB 3.37Å; E339-S343 PolarHBondContact O-N 3.34Å; F340-S343 PolarHBondContact O-N 3.28Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.19Å; S343-Y347 WeakPolarHBondContact O-CB 3.47Å; S343-Y347 PolarHBondContact O-N 3.47Å
344I44.8Very low43.7Very low55 Ų5595.1 Ų95.128%0.28250%0.498SS..Hα-helixtrans-70.6-42.3173.7-70.9171.3000110.5F340 K341 Y347 L348F340-I344 HydrophobicContact CD1-CD1 3.9Å; F340-I344 HydrophobicContact CE1-CD1 3.61Å; F340-I344 HydrophobicContact CZ-CD1 4.3Å; F340-I344 WeakPolarHBondContact O-CG1 3.31Å; F340-I344 PolarHBondContact O-N 3.36Å; F340-I344 VanDerWaalsContact O-N 3.07Å; K341-I344 PolarHBondContact O-N 3.36Å; I344-Y347 PolarHBondContact O-N 3.29Å; I344-L348 HydrophobicContact CG2-CD1 4.01Å; I344-L348 WeakPolarHBondContact O-CG 3.43Å; I344-L348 PolarHBondContact O-N 2.68Å
345S48.5Very low45.2Very low47 Ų4793.7 Ų93.733%0.32948%0.476SS..Hα-helixtrans-57.7-57.2173.1-163.30000110K341 S342 Y347 L348 D349K341-S345 PolarHBondContact O-N 3.26Å; S342-S345 PolarHBondContact O-N 3.17Å; S345-Y347 PolarHBondContact O-N 3.08Å; S345-Y347 VanDerWaalsContact O-N 3.09Å; S345-L348 CarbonylContact O-C 3.58Å; S345-L348 WeakPolarHBondContact O-CA 3.43Å; S345-L348 PolarHBondContact O-N 2.91Å; S345-D349 WeakPolarHBondContact O-CB 3.3Å; S345-D349 PolarHBondContact O-N 3.44Å; S345-D349 PolarHBondContact OG-OD2 2.67Å
346S51.2Low46.6Very low62 Ų6291.4 Ų91.443%0.43446%0.458SS..Hα-helixtrans-54.2-35.4-179.8173.60000113.5S342 N350S342-S346 WeakPolarHBondContact O-CB 3.34Å; S342-S346 PolarHBondContact O-N 3.05Å; S346-N350 VanDerWaalsContact O-CB 3.31Å; S346-N350 WeakPolarHBondContact O-CB 3.12Å; S346-N350 PolarHBondContact O-N 3.41Å; S346-N350 PolarHBondContact O-ND2 3.44Å
347Y44.1Very low47.4Very low158 Ų15891.1 Ų91.162%0.6246%0.456SS*.Hα-helixtrans-69.6-42.5175.2-175.1-111.3000112.6S343 I344 S345 N350 I351S343-Y347 WeakPolarHBondContact O-CB 3.47Å; S343-Y347 PolarHBondContact O-N 3.47Å; I344-Y347 PolarHBondContact O-N 3.29Å; S345-Y347 PolarHBondContact O-N 3.08Å; S345-Y347 VanDerWaalsContact O-N 3.09Å; Y347-N350 PolarHBondContact O-N 3.34Å; Y347-I351 HydrophobicContact CD1-CD1 3.93Å; Y347-I351 HydrophobicContact CE1-CD1 3.57Å; Y347-I351 HydrophobicContact CE2-CD1 4.49Å; Y347-I351 WeakPolarHBondContact O-CG1 3.27Å; Y347-I351 PolarHBondContact O-N 3.15Å
348L50.5Low48Very low50 Ų5087.9 Ų87.926%0.26244%0.443SS..Hα-helixtrans-70.1-36.7175.4-66.8172.7000112.5I344 S345 I351 Y352 N391I344-L348 HydrophobicContact CG2-CD1 4.01Å; I344-L348 WeakPolarHBondContact O-CG 3.43Å; I344-L348 PolarHBondContact O-N 2.68Å; S345-L348 CarbonylContact O-C 3.58Å; S345-L348 WeakPolarHBondContact O-CA 3.43Å; S345-L348 PolarHBondContact O-N 2.91Å; L348-I351 PolarHBondContact O-N 3.17Å; L348-Y352 PolarHBondContact O-N 3.3Å; L348-N391 HydrophobicContact CD1-CB 3.92Å
349D55.8Low48.6Very low68 Ų6884 Ų8436%0.36443%0.427SS..Hα-helixtrans-66.3-39.7175.9-62.2-44.6000110S345 Y352 E353S345-D349 WeakPolarHBondContact O-CB 3.3Å; S345-D349 PolarHBondContact O-N 3.44Å; S345-D349 PolarHBondContact OG-OD2 2.67Å; D349-Y352 WeakPolarHBondContact O-CB 3.38Å; D349-Y352 PolarHBondContact O-N 3.26Å; D349-E353 PolarHBondContact O-N 2.66Å
350N52.5Low49.3Very low94 Ų9485.1 Ų85.150%0.50343%0.432SS..Hα-helixtrans-65.8-34.5171.2-77.1-31.3000113.4S346 Y347 T354S346-N350 VanDerWaalsContact O-CB 3.31Å; S346-N350 WeakPolarHBondContact O-CB 3.12Å; S346-N350 PolarHBondContact O-N 3.41Å; S346-N350 PolarHBondContact O-ND2 3.44Å; Y347-N350 PolarHBondContact O-N 3.34Å; N350-T354 WeakPolarHBondContact O-CB 3.47Å; N350-T354 WeakPolarHBondContact O-CG2 3.44Å; N350-T354 PolarHBondContact O-N 3.09Å; N350-T354 PolarHBondContact O-OG1 3.19Å
351I58.7Low49.9Very low62 Ų6283.4 Ų83.432%0.31843%0.432SS..Hα-helixtrans-67.6-38.7172.4-71.8165.7000110.3Y347 L348 T354 W355Y347-I351 HydrophobicContact CD1-CD1 3.93Å; Y347-I351 HydrophobicContact CE1-CD1 3.57Å; Y347-I351 HydrophobicContact CE2-CD1 4.49Å; Y347-I351 WeakPolarHBondContact O-CG1 3.27Å; Y347-I351 PolarHBondContact O-N 3.15Å; L348-I351 PolarHBondContact O-N 3.17Å; I351-T354 WeakPolarHBondContact CA-OG1 3.22Å; I351-T354 PolarHBondContact O-OG1 2.98Å; I351-W355 VanDerWaalsContact O-CB 3.22Å; I351-W355 WeakPolarHBondContact O-CB 3.06Å; I351-W355 PolarHBondContact O-N 3.07Å
352Y51.4Low50Low52 Ų5280.8 Ų80.820%0.20443%0.426CS..Hα-helixtrans-63.5-47.1173.9-106.7-76.3000112.6L348 D349 W355 N356 H398L348-Y352 PolarHBondContact O-N 3.3Å; D349-Y352 WeakPolarHBondContact O-CB 3.38Å; D349-Y352 PolarHBondContact O-N 3.26Å; Y352-W355 PolarHBondContact O-N 3.16Å; Y352-N356 VanDerWaalsContact O-CB 3.27Å; Y352-N356 WeakPolarHBondContact O-CB 3.16Å; Y352-N356 VanDerWaalsContact O-CG 3.27Å; Y352-N356 PolarHBondContact O-N 3.41Å; Y352-N356 PolarHBondContact O-ND2 2.66Å; Y352-H398 AromaticContact CE1-NE2 3.78Å; Y352-H398 AromaticContact CZ-CD2 3.96Å; Y352-H398 WeakPolarHBondContact OH-CB 3.42Å; Y352-H398 PolarHBondContact OH-CD2 2.89Å; Y352-H398 PolarHBondContact OH-ND1 3.49Å; Y352-H398 PolarHBondContact OH-NE2 3.34Å
353E58.9Low49.9Very low108 Ų10888 Ų8851%0.50545%0.445SS..Hα-helixtrans-64.2-46177.3-78.1-60.2155.200111.7D349 W355 N356 I357D349-E353 PolarHBondContact O-N 2.66Å; E353-W355 PolarHBondContact O-N 2.99Å; E353-N356 PolarHBondContact O-N 3.26Å; E353-I357 WeakPolarHBondContact O-CB 3.12Å; E353-I357 WeakPolarHBondContact O-CD1 3.47Å; E353-I357 WeakPolarHBondContact O-CG1 3.44Å; E353-I357 PolarHBondContact O-N 2.79Å
354T56.4Low49.5Very low77 Ų7788.9 Ų88.947%0.47245%0.451SS..Hα-helixtrans-63-39.7177.546.90000112.3N350 I351 I357 I358N350-T354 WeakPolarHBondContact O-CB 3.47Å; N350-T354 WeakPolarHBondContact O-CG2 3.44Å; N350-T354 PolarHBondContact O-N 3.09Å; N350-T354 PolarHBondContact O-OG1 3.19Å; I351-T354 WeakPolarHBondContact CA-OG1 3.22Å; I351-T354 PolarHBondContact O-OG1 2.98Å; T354-I357 PolarHBondContact O-N 3.31Å; T354-I358 WeakPolarHBondContact O-CB 3.42Å; T354-I358 WeakPolarHBondContact O-CD1 3.44Å; T354-I358 WeakPolarHBondContact O-CG1 3.41Å; T354-I358 PolarHBondContact O-N 2.88Å
355W60.6Low48.8Very low88 Ų8894.3 Ų94.333%0.33348%0.481SS..Hα-helixtrans-66.4-41.3173.7-171.687.2000112.8I351 Y352 E353 I358 N359 F399I351-W355 VanDerWaalsContact O-CB 3.22Å; I351-W355 WeakPolarHBondContact O-CB 3.06Å; I351-W355 PolarHBondContact O-N 3.07Å; Y352-W355 PolarHBondContact O-N 3.16Å; E353-W355 PolarHBondContact O-N 2.99Å; W355-I358 PolarHBondContact O-N 3.03Å; W355-N359 VanDerWaalsContact CE3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CH2-ND2 3.39Å; W355-N359 WeakPolarHBondContact CZ2-ND2 3.41Å; W355-N359 VanDerWaalsContact CZ3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CZ3-ND2 3.29Å; W355-N359 WeakPolarHBondContact O-CB 3.32Å; W355-N359 PolarHBondContact O-N 3.28Å; W355-N359 PolarHBondContact O-ND2 3.47Å; W355-F399 HydrophobicContact CZ2-CE1 4.2Å
356N56.6Low48Very low56 Ų5696.7 Ų96.730%0.29950%0.497SS..Hα-helixtrans-64.9-38.8174.5-80.2-18.7000112.2Y352 E353 Q360Y352-N356 VanDerWaalsContact O-CB 3.27Å; Y352-N356 WeakPolarHBondContact O-CB 3.16Å; Y352-N356 VanDerWaalsContact O-CG 3.27Å; Y352-N356 PolarHBondContact O-N 3.41Å; Y352-N356 PolarHBondContact O-ND2 2.66Å; E353-N356 PolarHBondContact O-N 3.26Å; N356-Q360 WeakPolarHBondContact O-CB 3.4Å; N356-Q360 VanDerWaalsContact O-CG 3.29Å; N356-Q360 WeakPolarHBondContact O-CG 3.27Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.42Å
357I50.9Low47.1Very low91 Ų9199.8 Ų99.847%0.46752%0.519SS..Hα-helixtrans-64.6-50.1175.4-71.4162.6000109.2E353 T354 N359 Q360 T361E353-I357 WeakPolarHBondContact O-CB 3.12Å; E353-I357 WeakPolarHBondContact O-CD1 3.47Å; E353-I357 WeakPolarHBondContact O-CG1 3.44Å; E353-I357 PolarHBondContact O-N 2.79Å; T354-I357 PolarHBondContact O-N 3.31Å; I357-N359 VanDerWaalsContact C-N 3.3Å; I357-N359 PolarHBondContact O-N 2.87Å; I357-Q360 PolarHBondContact O-N 3.04Å; I357-Q360 VanDerWaalsContact O-N 3.13Å; I357-T361 HydrophobicContact CG2-CG2 4.3Å; I357-T361 WeakPolarHBondContact O-CG2 3.4Å; I357-T361 PolarHBondContact O-N 3.21Å; I357-T361 PolarHBondContact O-OG1 2.98Å; I357-T361 VanDerWaalsContact O-OG1 3.04Å
358I48.6Very low46.9Very low85 Ų85101.2 Ų101.244%0.43653%0.531SS..Hα-helixtrans-56.1-43.2177.4-72.5165.3000111.3T354 W355 T361 N362T354-I358 WeakPolarHBondContact O-CB 3.42Å; T354-I358 WeakPolarHBondContact O-CD1 3.44Å; T354-I358 WeakPolarHBondContact O-CG1 3.41Å; T354-I358 PolarHBondContact O-N 2.88Å; W355-I358 PolarHBondContact O-N 3.03Å; I358-T361 PolarHBondContact O-OG1 2.93Å; I358-N362 WeakPolarHBondContact O-CB 3.26Å; I358-N362 PolarHBondContact O-N 3.26Å; I358-N362 VanDerWaalsContact O-N 3.12Å; I358-N362 PolarHBondContact O-ND2 3.46Å
359N46.5Very low46.3Very low71 Ų71103.7 Ų103.738%0.3855%0.553SS.*Hα-helixtrans-75.6-24.1179.5-73.3-28.2000114.2W355 I357W355-N359 VanDerWaalsContact CE3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CH2-ND2 3.39Å; W355-N359 WeakPolarHBondContact CZ2-ND2 3.41Å; W355-N359 VanDerWaalsContact CZ3-ND2 3.31Å; W355-N359 WeakPolarHBondContact CZ3-ND2 3.29Å; W355-N359 WeakPolarHBondContact O-CB 3.32Å; W355-N359 PolarHBondContact O-N 3.28Å; W355-N359 PolarHBondContact O-ND2 3.47Å; I357-N359 VanDerWaalsContact C-N 3.3Å; I357-N359 PolarHBondContact O-N 2.87Å
360Q50.8Low46Very low146 Ų146106.3 Ų106.368%0.68257%0.566SS**Hα-helixtrans-82.1-31.8173.6-76.2170.796.400112.5N356 I357N356-Q360 WeakPolarHBondContact O-CB 3.4Å; N356-Q360 VanDerWaalsContact O-CG 3.29Å; N356-Q360 WeakPolarHBondContact O-CG 3.27Å; N356-Q360 PolarHBondContact O-N 2.89Å; N356-Q360 PolarHBondContact O-NE2 3.42Å; I357-Q360 PolarHBondContact O-N 3.04Å; I357-Q360 VanDerWaalsContact O-N 3.13Å
361T44.5Very low45.9Very low95 Ų95106.7 Ų106.758%0.58357%0.568SS**Hα-helixtrans-81.4-28.7178.455.50000113.6I357 I358 Y363I357-T361 HydrophobicContact CG2-CG2 4.3Å; I357-T361 WeakPolarHBondContact O-CG2 3.4Å; I357-T361 PolarHBondContact O-N 3.21Å; I357-T361 PolarHBondContact O-OG1 2.98Å; I357-T361 VanDerWaalsContact O-OG1 3.04Å; I358-T361 PolarHBondContact O-OG1 2.93Å; T361-Y363 VanDerWaalsContact C-N 3.27Å; T361-Y363 PolarHBondContact O-N 3.14Å
362N38.3Very low45.8Very low93 Ų93110.4 Ų110.450%0.49758%0.584SS.*THydrogen-bonded Turntrans-83.112.5-178.5-75.5-68.7000115.3I358 S364I358-N362 WeakPolarHBondContact O-CB 3.26Å; I358-N362 PolarHBondContact O-N 3.26Å; I358-N362 VanDerWaalsContact O-N 3.12Å; I358-N362 PolarHBondContact O-ND2 3.46Å; N362-S364 PolarHBondContact O-N 3.26Å
363Y36.8Very low46Very low213 Ų213111.7 Ų111.784%0.83560%0.601SS**SBendtrans-81.841.7169.2-112.7-83000112.7T361T361-Y363 VanDerWaalsContact C-N 3.27Å; T361-Y363 PolarHBondContact O-N 3.14Å
364S33.5Very low45.9Very low96 Ų96112 Ų11267%0.67160%0.602SS**SBendtrans-161.394.3174.3-75.40000111.5N362 S366N362-S364 PolarHBondContact O-N 3.26Å; S364-S366 PolarHBondContact O-N 3.02Å
365D28.5Very low45.9Very low169 Ų169111.1 Ų111.190%0.90459%0.594SS**SBendtrans30.967.3159.6-65.3-22.8000118.8
366S33.6Very low45.9Very low96 Ų96113 Ų11367%0.67161%0.607SS**  trans-152.1101.9154.7-74.40000111.6S364 Q368S364-S366 PolarHBondContact O-N 3.02Å; S366-Q368 PolarHBondContact O-N 2.96Å
367S30.8Very low46.3Very low128 Ų128114 Ų11490%0.89562%0.618SS**  trans-79.1100.2178.157.60000112
368Q39.8Very low46.3Very low188 Ų188114.4 Ų114.488%0.87962%0.621SS**  trans-118.5109.4155.4-73.5-169-31.700108.6S366S366-Q368 PolarHBondContact O-N 2.96Å
369S38.5Very low46.9Very low102 Ų102112.6 Ų112.671%0.71361%0.614SS**PPolyproline II helixtrans-69.9133173.345.50000110.2D371S369-D371 PolarHBondContact O-N 3.42Å
370L49.1Very low47.6Very low122 Ų122116.6 Ų116.664%0.63962%0.624SS**PPolyproline II helixtrans-60.3131.4151.6-82.586.3000107.3E372L370-E372 PolarHBondContact O-N 2.91Å
371D51.5Low47.9Very low103 Ų103114.3 Ų114.355%0.55162%0.617SS**PPolyproline II helixtrans-63.9134.2-178.8-88.4-29.9000110.4S369 S373 E374S369-D371 PolarHBondContact O-N 3.42Å; D371-S373 PolarHBondContact O-N 3.47Å; D371-E374 PolarHBondContact O-N 3.09Å
372E55.8Low48.4Very low140 Ų140112.1 Ų112.165%0.65460%0.601SS**Hα-helixtrans-56.4-26.7-178.2-162.5170.9-150.800111.6L370 Q376L370-E372 PolarHBondContact O-N 2.91Å; E372-Q376 WeakPolarHBondContact O-CB 3.47Å; E372-Q376 PolarHBondContact O-N 3.38Å
373S56.7Low49.1Very low78 Ų78112 Ų11255%0.54560%0.6SS.*Hα-helixtrans-64.9-35.3174.458.80000114.5D371 Q376 S377D371-S373 PolarHBondContact O-N 3.47Å; S373-Q376 WeakPolarHBondContact O-CB 3.28Å; S373-Q376 PolarHBondContact O-N 3.43Å; S373-S377 WeakPolarHBondContact O-CB 3.44Å; S373-S377 PolarHBondContact O-N 3.35Å
374E56.8Low50.1Low115 Ų115106.8 Ų106.854%0.53758%0.583SS.*Hα-helixtrans-70.7-41.7177.6-64.9-161135.300110.9D371 Q376 S377 L378D371-E374 PolarHBondContact O-N 3.09Å; E374-Q376 VanDerWaalsContact C-N 3.34Å; E374-S377 PolarHBondContact O-N 2.91Å; E374-L378 WeakPolarHBondContact O-CB 3.41Å; E374-L378 WeakPolarHBondContact O-CG 3.48Å; E374-L378 PolarHBondContact O-N 2.9Å
375L55.9Low50.7Low58 Ų58107 Ų10730%0.30457%0.572SS.*Hα-helixtrans-64.2-38.6173.3-73.5167.7000111.7T379 L406L375-T379 VanDerWaalsContact O-CB 3.24Å; L375-T379 WeakPolarHBondContact O-CB 3.45Å; L375-T379 PolarHBondContact O-N 2.76Å; L375-T379 PolarHBondContact O-OG1 3.44Å; L375-L406 HydrophobicContact CD1-CD1 4.3Å
376Q60.7Low51.4Low128 Ų128106.5 Ų106.560%0.59857%0.569SS**Hα-helixtrans-61-44.6171.3-129.272.7-8.200111.6E372 S373 E374 T379 Y380E372-Q376 WeakPolarHBondContact O-CB 3.47Å; E372-Q376 PolarHBondContact O-N 3.38Å; S373-Q376 WeakPolarHBondContact O-CB 3.28Å; S373-Q376 PolarHBondContact O-N 3.43Å; E374-Q376 VanDerWaalsContact C-N 3.34Å; Q376-T379 PolarHBondContact O-N 3.32Å; Q376-Y380 PolarHBondContact O-N 3.2Å
377S63.7Low52Low78 Ų78109.9 Ų109.955%0.54557%0.569SS.*Hα-helixtrans-66.8-45.3-178.6-167.20000112.2S373 E374 T379 Y380 L381S373-S377 WeakPolarHBondContact O-CB 3.44Å; S373-S377 PolarHBondContact O-N 3.35Å; E374-S377 PolarHBondContact O-N 2.91Å; S377-T379 VanDerWaalsContact C-N 3.34Å; S377-T379 PolarHBondContact O-N 3.28Å; S377-Y380 WeakPolarHBondContact O-CB 3.34Å; S377-Y380 PolarHBondContact O-N 3.06Å; S377-L381 PolarHBondContact O-N 2.86Å
378L51.8Low52.6Low99 Ų99113.2 Ų113.252%0.51857%0.57SS.*Hα-helixtrans-60.1-42.9171.5-75.8167.5000111.7E374 Y380 L381 I382E374-L378 WeakPolarHBondContact O-CB 3.41Å; E374-L378 WeakPolarHBondContact O-CG 3.48Å; E374-L378 PolarHBondContact O-N 2.9Å; L378-Y380 VanDerWaalsContact C-N 3.32Å; L378-Y380 PolarHBondContact O-N 3.47Å; L378-L381 PolarHBondContact O-N 3Å; L378-I382 WeakPolarHBondContact O-CB 3.39Å; L378-I382 WeakPolarHBondContact O-CD1 3.21Å; L378-I382 VanDerWaalsContact O-CG1 3.25Å; L378-I382 WeakPolarHBondContact O-CG1 3.5Å; L378-I382 PolarHBondContact O-N 2.86Å
379T61.3Low53.1Low46 Ų46107.8 Ų107.828%0.28255%0.547SS..Hα-helixtrans-63.8-36.3177.3-60.60000112L375 Q376 S377 N383L375-T379 VanDerWaalsContact O-CB 3.24Å; L375-T379 WeakPolarHBondContact O-CB 3.45Å; L375-T379 PolarHBondContact O-N 2.76Å; L375-T379 PolarHBondContact O-OG1 3.44Å; Q376-T379 PolarHBondContact O-N 3.32Å; S377-T379 VanDerWaalsContact C-N 3.34Å; S377-T379 PolarHBondContact O-N 3.28Å; T379-N383 PolarHBondContact O-N 3.21Å; T379-N383 PolarHBondContact O-ND2 3.4Å
380Y60.4Low53.7Low155 Ų155109 Ų10961%0.60855%0.545SS*.Hα-helixtrans-64.8-49.5171.5-174.6-92.7000111.1Q376 S377 L378 I382 N383 E384Q376-Y380 PolarHBondContact O-N 3.2Å; S377-Y380 WeakPolarHBondContact O-CB 3.34Å; S377-Y380 PolarHBondContact O-N 3.06Å; L378-Y380 VanDerWaalsContact C-N 3.32Å; L378-Y380 PolarHBondContact O-N 3.47Å; Y380-I382 VanDerWaalsContact C-N 3.31Å; Y380-I382 PolarHBondContact O-N 2.87Å; Y380-N383 PolarHBondContact O-N 2.71Å; Y380-N383 VanDerWaalsContact O-N 3.07Å; Y380-E384 HydrophobicContact CE1-CB 4.31Å; Y380-E384 HydrophobicContact CE1-CG 4.49Å; Y380-E384 PolarHBondContact O-N 2.78Å
381L57.5Low53.7Low99 Ų99106 Ų10652%0.51853%0.53SS..Hα-helixtrans-58.8-40.8-178.7-148.481.1000112.4S377 L378 N383 K385S377-L381 PolarHBondContact O-N 2.86Å; L378-L381 PolarHBondContact O-N 3Å; L381-N383 VanDerWaalsContact C-N 3.33Å; L381-N383 PolarHBondContact O-N 2.91Å; L381-K385 WeakPolarHBondContact O-CB 3.44Å; L381-K385 WeakPolarHBondContact O-CG 3.43Å; L381-K385 PolarHBondContact O-N 3.46Å
382I55.6Low53.8Low49 Ų49103.7 Ų103.725%0.25152%0.518SS..Hα-helixtrans-68.9-28.7178.2-69.4163.5000112.4L378 Y380 F395L378-I382 WeakPolarHBondContact O-CB 3.39Å; L378-I382 WeakPolarHBondContact O-CD1 3.21Å; L378-I382 VanDerWaalsContact O-CG1 3.25Å; L378-I382 WeakPolarHBondContact O-CG1 3.5Å; L378-I382 PolarHBondContact O-N 2.86Å; Y380-I382 VanDerWaalsContact C-N 3.31Å; Y380-I382 PolarHBondContact O-N 2.87Å; I382-F395 HydrophobicContact CD1-CE1 3.8Å
383N53.6Low53.6Low90 Ų90101.4 Ų101.448%0.48151%0.509SS..Hα-helixtrans-93.2-24.4-179.9-72.2-56.6000113.7T379 Y380 L381 K396T379-N383 PolarHBondContact O-N 3.21Å; T379-N383 PolarHBondContact O-ND2 3.4Å; Y380-N383 PolarHBondContact O-N 2.71Å; Y380-N383 VanDerWaalsContact O-N 3.07Å; L381-N383 VanDerWaalsContact C-N 3.33Å; L381-N383 PolarHBondContact O-N 2.91Å; N383-K396 PolarHBondContact OD1-NZ 2.96Å
384E57.2Low53.6Low104 Ų104105.6 Ų105.649%0.48651%0.513SS..Hα-helixtrans-76.8-30.4173.2-160.6-158-128.900112.1Y380 N386Y380-E384 HydrophobicContact CE1-CB 4.31Å; Y380-E384 HydrophobicContact CE1-CG 4.49Å; Y380-E384 PolarHBondContact O-N 2.78Å; E384-N386 PolarHBondContact O-N 2.82Å
385K46.2Very low53.5Low101 Ų101102.7 Ų102.744%0.43950%0.499SS..  trans-93.780.3-175.5-59.3-64.4172.4-163.20112.1L381 Y387L381-K385 WeakPolarHBondContact O-CB 3.44Å; L381-K385 WeakPolarHBondContact O-CG 3.43Å; L381-K385 PolarHBondContact O-N 3.46Å; K385-Y387 VanDerWaalsContact C-N 3.32Å; K385-Y387 HydrophobicContact CB-CD2 4.01Å; K385-Y387 HydrophobicContact CB-CE2 4.39Å; K385-Y387 PolarHBondContact O-N 2.87Å
386N42Very low53.3Low157 Ų157104.8 Ų104.884%0.8451%0.506SS*.  trans-61.989167-81.8-27.9000111.3E384E384-N386 PolarHBondContact O-N 2.82Å
387Y46.2Very low53.1Low168 Ų168103.8 Ų103.866%0.65950%0.504SS*.  trans-114.8122.3171.8-86.6-103000109.9K385 D389K385-Y387 VanDerWaalsContact C-N 3.32Å; K385-Y387 HydrophobicContact CB-CD2 4.01Å; K385-Y387 HydrophobicContact CB-CE2 4.39Å; K385-Y387 PolarHBondContact O-N 2.87Å; Y387-D389 PolarHBondContact O-N 2.95Å
388E44.8Very low53Low197 Ų197104.1 Ų104.192%0.92150%0.497SS*.  trans-73.351.7-179.9-69-69.9163.900112.4
389D50Low53.1Low75 Ų75100.8 Ų100.840%0.40148%0.479SS..  trans-108.2116.6-178.9-124.8-39.6000110.8Y387 N391 L392 L393Y387-D389 PolarHBondContact O-N 2.95Å; D389-N391 PolarHBondContact O-N 2.79Å; D389-L392 HydrophobicContact CB-CB 4.4Å; D389-L392 WeakPolarHBondContact O-CB 3.48Å; D389-L392 PolarHBondContact O-N 3.06Å; D389-L393 PolarHBondContact O-N 2.66Å; D389-L393 VanDerWaalsContact O-N 3.16Å
390N51Low52.6Low126 Ų126103.4 Ų103.467%0.67449%0.487SS*.Hα-helixtrans-57.8-25.5-179.5-71.2-78.4000112.7L393 R394N390-L393 PolarHBondContact O-N 3.04Å; N390-R394 PolarHBondContact O-N 3Å
391N50Low52.3Low60 Ų6099.5 Ų99.532%0.32148%0.481SS..Hα-helixtrans-68.6-37.4174.2-66.7-20.9000112.3L348 D389 R394 F395L348-N391 HydrophobicContact CD1-CB 3.92Å; D389-N391 PolarHBondContact O-N 2.79Å; N391-R394 WeakPolarHBondContact O-CB 3.49Å; N391-R394 PolarHBondContact O-N 2.96Å; N391-F395 PolarHBondContact O-N 2.77Å
392L52.3Low52.1Low55 Ų5598.3 Ų98.329%0.28847%0.473SS..Hα-helixtrans-72.7-32.2174.8-17262.9000111.2D389 F395 K396D389-L392 HydrophobicContact CB-CB 4.4Å; D389-L392 WeakPolarHBondContact O-CB 3.48Å; D389-L392 PolarHBondContact O-N 3.06Å; L392-F395 PolarHBondContact O-N 3.39Å; L392-K396 WeakPolarHBondContact O-CB 3.5Å; L392-K396 PolarHBondContact O-N 2.91Å
393L53.1Low51.8Low92 Ų9298.7 Ų98.748%0.48248%0.475SS..Hα-helixtrans-65.9-40.2170-174.461.3000111.8D389 N390 K396 N397D389-L393 PolarHBondContact O-N 2.66Å; D389-L393 VanDerWaalsContact O-N 3.16Å; N390-L393 PolarHBondContact O-N 3.04Å; L393-K396 PolarHBondContact O-N 2.71Å; L393-N397 WeakPolarHBondContact O-CB 3.47Å; L393-N397 PolarHBondContact O-N 3.05Å; L393-N397 PolarHBondContact O-ND2 3.44Å
394R56.6Low51.9Low166 Ų16697.6 Ų97.663%0.62647%0.467SS*.Hα-helixtrans-61.1-44.5172.7-171-178.3-178.6-145.8-0.4111.5N390 N391 N397 H398N390-R394 PolarHBondContact O-N 3Å; N391-R394 WeakPolarHBondContact O-CB 3.49Å; N391-R394 PolarHBondContact O-N 2.96Å; R394-N397 PolarHBondContact O-N 2.81Å; R394-H398 WeakPolarHBondContact O-CB 3.47Å; R394-H398 PolarHBondContact O-N 2.87Å
395F53.5Low51.6Low54 Ų54100.4 Ų100.424%0.23748%0.48CS..Hα-helixtrans-59.2-52.7173.2-174.8-82.6000111.3I382 N391 L392 N397 H398 F399I382-F395 HydrophobicContact CD1-CE1 3.8Å; N391-F395 PolarHBondContact O-N 2.77Å; L392-F395 PolarHBondContact O-N 3.39Å; F395-N397 VanDerWaalsContact C-N 3.3Å; F395-N397 PolarHBondContact O-N 2.83Å; F395-H398 PolarHBondContact O-N 3.22Å; F395-H398 VanDerWaalsContact O-N 3.08Å; F395-F399 AromaticContact CD1-CD2 3.84Å; F395-F399 HydrophobicContact CD1-CD2 3.84Å; F395-F399 AromaticContact CD2-CD2 3.69Å; F395-F399 HydrophobicContact CD2-CD2 3.69Å; F395-F399 AromaticContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CE1-CB 4.43Å; F395-F399 AromaticContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CE2 4.28Å; F395-F399 HydrophobicContact CE1-CG 4.18Å; F395-F399 AromaticContact CE2-CD2 3.56Å; F395-F399 HydrophobicContact CE2-CD2 3.56Å; F395-F399 AromaticContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CZ 4.09Å; F395-F399 AromaticContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CE2 4.17Å; F395-F399 AromaticContact CZ-CD2 3.55Å; F395-F399 HydrophobicContact CZ-CD2 3.55Å; F395-F399 AromaticContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CG 4.16Å; F395-F399 HydrophobicContact CZ-CZ 4.37Å; F395-F399 WeakPolarHBondContact O-CD2 3.41Å; F395-F399 PolarHBondContact O-N 3.47Å
396K52.7Low51.4Low102 Ų102100.4 Ų100.444%0.44348%0.484SS..Hα-helixtrans-56.2-44179.2-166.8163.4-171.7158.80111.4N383 L392 L393 H398 H400N383-K396 PolarHBondContact OD1-NZ 2.96Å; L392-K396 WeakPolarHBondContact O-CB 3.5Å; L392-K396 PolarHBondContact O-N 2.91Å; L393-K396 PolarHBondContact O-N 2.71Å; K396-H398 PolarHBondContact O-N 3.06Å; K396-H400 WeakPolarHBondContact O-CB 3.32Å; K396-H400 PolarHBondContact O-N 3.08Å
397N56.9Low51.2Low106 Ų106100.4 Ų100.457%0.56748%0.481SS*.Hα-helixtrans-69-29.7178.4-70.4-16.2000113.9L393 R394 F395 P401L393-N397 WeakPolarHBondContact O-CB 3.47Å; L393-N397 PolarHBondContact O-N 3.05Å; L393-N397 PolarHBondContact O-ND2 3.44Å; R394-N397 PolarHBondContact O-N 2.81Å; F395-N397 VanDerWaalsContact C-N 3.3Å; F395-N397 PolarHBondContact O-N 2.83Å; N397-P401 VanDerWaalsContact O-CD 3.3Å; N397-P401 WeakPolarHBondContact O-CD 3.36Å
398H60.5Low51.1Low86 Ų8698.8 Ų98.840%0.39848%0.477SS..Hα-helixtrans-84.2-37.1179.7-168.1100.1000113.4Y352 R394 F395 K396 P401Y352-H398 AromaticContact CE1-NE2 3.78Å; Y352-H398 AromaticContact CZ-CD2 3.96Å; Y352-H398 WeakPolarHBondContact OH-CB 3.42Å; Y352-H398 PolarHBondContact OH-CD2 2.89Å; Y352-H398 PolarHBondContact OH-ND1 3.49Å; Y352-H398 PolarHBondContact OH-NE2 3.34Å; R394-H398 WeakPolarHBondContact O-CB 3.47Å; R394-H398 PolarHBondContact O-N 2.87Å; F395-H398 PolarHBondContact O-N 3.22Å; F395-H398 VanDerWaalsContact O-N 3.08Å; K396-H398 PolarHBondContact O-N 3.06Å; H398-P401 WeakPolarHBondContact O-CD 3.17Å
399F55.1Low50.5Low29 Ų2994.4 Ų94.413%0.12747%0.468CS..Hα-helixtrans-86-23.4178.9-74.7-81.1000113.2W355 F395 Q402 L403W355-F399 HydrophobicContact CZ2-CE1 4.2Å; F395-F399 AromaticContact CD1-CD2 3.84Å; F395-F399 HydrophobicContact CD1-CD2 3.84Å; F395-F399 AromaticContact CD2-CD2 3.69Å; F395-F399 HydrophobicContact CD2-CD2 3.69Å; F395-F399 AromaticContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CD2-CE2 3.55Å; F395-F399 HydrophobicContact CE1-CB 4.43Å; F395-F399 AromaticContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CD2 3.69Å; F395-F399 HydrophobicContact CE1-CE2 4.28Å; F395-F399 HydrophobicContact CE1-CG 4.18Å; F395-F399 AromaticContact CE2-CD2 3.56Å; F395-F399 HydrophobicContact CE2-CD2 3.56Å; F395-F399 AromaticContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CE2 3.28Å; F395-F399 HydrophobicContact CE2-CZ 4.09Å; F395-F399 AromaticContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CD2 3.83Å; F395-F399 HydrophobicContact CG-CE2 4.17Å; F395-F399 AromaticContact CZ-CD2 3.55Å; F395-F399 HydrophobicContact CZ-CD2 3.55Å; F395-F399 AromaticContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CE2 3.68Å; F395-F399 HydrophobicContact CZ-CG 4.16Å; F395-F399 HydrophobicContact CZ-CZ 4.37Å; F395-F399 WeakPolarHBondContact O-CD2 3.41Å; F395-F399 PolarHBondContact O-N 3.47Å; F399-Q402 VanDerWaalsContact CD1-OE1 3.23Å; F399-Q402 PolarHBondContact O-N 2.86Å; F399-L403 HydrophobicContact CB-CD1 4.13Å; F399-L403 HydrophobicContact CB-CG 4.48Å; F399-L403 WeakPolarHBondContact O-CB 3.39Å; F399-L403 WeakPolarHBondContact O-CG 3.43Å; F399-L403 PolarHBondContact O-N 3.16Å
400H49.7Very low50.1Low100 Ų10095.7 Ų95.746%0.46348%0.481SS..Hα-helixtrans-55.5-39.1177.9177.1-120.2000114.9K396 Q404K396-H400 WeakPolarHBondContact O-CB 3.32Å; K396-H400 PolarHBondContact O-N 3.08Å; H400-Q404 PolarHBondContact CE1-NE2 2.82Å; H400-Q404 VanDerWaalsContact O-CB 3.29Å; H400-Q404 WeakPolarHBondContact O-CB 3.47Å; H400-Q404 WeakPolarHBondContact O-CG 3.42Å; H400-Q404 PolarHBondContact O-N 3.23Å
401P54.2Low49.4Very low73 Ų7396.4 Ų96.447%0.47449%0.49SS..Hα-helixtrans-62.4-37.3171.3-24.434.7000114.2N397 H398 Q404N397-P401 VanDerWaalsContact O-CD 3.3Å; N397-P401 WeakPolarHBondContact O-CD 3.36Å; H398-P401 WeakPolarHBondContact O-CD 3.17Å; P401-Q404 WeakPolarHBondContact O-CB 3.22Å
402Q53.9Low48.8Very low75 Ų75102.4 Ų102.435%0.3551%0.513SS..Hα-helixtrans-76.2-46-179.4-63.5170-5.800110.7F399 Q404 H405F399-Q402 VanDerWaalsContact CD1-OE1 3.23Å; F399-Q402 PolarHBondContact O-N 2.86Å; Q402-Q404 PolarHBondContact O-N 2.77Å; Q402-H405 PolarHBondContact O-N 3.45Å
403L49.1Very low48Very low56 Ų56105.6 Ų105.629%0.29354%0.537SS..Hα-helixtrans-61.8-27172.6-65.9170.7000112.3F399 H405 L406 M407F399-L403 HydrophobicContact CB-CD1 4.13Å; F399-L403 HydrophobicContact CB-CG 4.48Å; F399-L403 WeakPolarHBondContact O-CB 3.39Å; F399-L403 WeakPolarHBondContact O-CG 3.43Å; F399-L403 PolarHBondContact O-N 3.16Å; L403-H405 PolarHBondContact O-N 3.35Å; L403-L406 HydrophobicContact CD2-CD1 4.32Å; L403-L406 PolarHBondContact O-N 3.3Å; L403-L406 VanDerWaalsContact O-N 3.15Å; L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.27Å; L403-M407 WeakPolarHBondContact O-CG 3.46Å; L403-M407 PolarHBondContact O-N 3.27Å
404Q54.3Low47.2Very low68 Ų68106.4 Ų106.432%0.31855%0.55SS.*Hα-helixtrans-64.8-18.1172.8-96.1-168.252.200114.4H400 P401 Q402 K408H400-Q404 PolarHBondContact CE1-NE2 2.82Å; H400-Q404 VanDerWaalsContact O-CB 3.29Å; H400-Q404 WeakPolarHBondContact O-CB 3.47Å; H400-Q404 WeakPolarHBondContact O-CG 3.42Å; H400-Q404 PolarHBondContact O-N 3.23Å; P401-Q404 WeakPolarHBondContact O-CB 3.22Å; Q402-Q404 PolarHBondContact O-N 2.77Å; Q404-K408 WeakPolarHBondContact O-CD 3.19Å; Q404-K408 WeakPolarHBondContact O-CE 3.4Å; Q404-K408 WeakPolarHBondContact O-CG 3.47Å
405H52.7Low46.3Very low162 Ų162107.1 Ų107.175%0.7557%0.565SS**Hα-helixtrans-79.8-36.6170.3-82-92.8000111.9Q402 L403Q402-H405 PolarHBondContact O-N 3.45Å; L403-H405 PolarHBondContact O-N 3.35Å
406L40.9Very low45.8Very low101 Ų101110.7 Ų110.753%0.52959%0.591SS.*Hα-helixtrans-72.2-39.8175.9-64.8169.4000111.8L375 L403 K408L375-L406 HydrophobicContact CD1-CD1 4.3Å; L403-L406 HydrophobicContact CD2-CD1 4.32Å; L403-L406 PolarHBondContact O-N 3.3Å; L403-L406 VanDerWaalsContact O-N 3.15Å; L406-K408 PolarHBondContact O-N 2.99Å; L406-K408 VanDerWaalsContact O-N 3.1Å
407M38.1Very low45.1Very low157 Ų157111 Ų11177%0.77361%0.607SS**THydrogen-bonded Turntrans-70.90.7177.6-66.1-113.2-63.800114.6L403L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.27Å; L403-M407 WeakPolarHBondContact O-CG 3.46Å; L403-M407 PolarHBondContact O-N 3.27Å
408K42.9Very low44.2Very low134 Ų134111.6 Ų111.658%0.58361%0.61SS**THydrogen-bonded Turntrans-115.939.5-177.3-71.2176.9-163.8162.80113.1Q404 L406 P410Q404-K408 WeakPolarHBondContact O-CD 3.19Å; Q404-K408 WeakPolarHBondContact O-CE 3.4Å; Q404-K408 WeakPolarHBondContact O-CG 3.47Å; L406-K408 PolarHBondContact O-N 2.99Å; L406-K408 VanDerWaalsContact O-N 3.1Å; K408-P410 WeakPolarHBondContact O-CD 3.36Å
409S33.1Very low43.5Very low105 Ų105114.8 Ų114.873%0.73462%0.622SS**  trans-67.1123166.2-170.60000110.4
410P41.7Very low42.6Very low103 Ų103120.8 Ų120.867%0.66966%0.656SS**  trans-81.4125.6-171.130.4-34.1000112.5K408 K412K408-P410 WeakPolarHBondContact O-CD 3.36Å; P410-K412 PolarHBondContact O-N 3.38Å
411V36.8Very low42.2Very low141 Ų141121.5 Ų121.586%0.85567%0.67SS**  trans-63.1101.7164.3178.80000108.5P413V411-P413 WeakPolarHBondContact O-CD 3.42Å
412K37.5Very low41.6Very low185 Ų185124.2 Ų124.280%0.80469%0.685SS**  trans-66.5123.9174.6-72.7-178.5178.31760109.8P410 S414P410-K412 PolarHBondContact O-N 3.38Å; K412-S414 PolarHBondContact O-N 3.21Å
413P34.6Very low41Very low122 Ų122126.2 Ų126.279%0.79270%0.702SS**  trans-65.6132164.7-14.929.7000109.6V411 L415V411-P413 WeakPolarHBondContact O-CD 3.42Å; P413-L415 PolarHBondContact O-N 3.17Å
414S36.1Very low40.5Very low110 Ų110132.4 Ų132.477%0.76973%0.73SS**  trans-70.8116174.952.90000110.6K412 V416K412-S414 PolarHBondContact O-N 3.21Å; S414-V416 PolarHBondContact O-N 3.02Å
415L38.1Very low39.8Very low180 Ų180132.9 Ų132.994%0.94275%0.745SS**  trans-61124.3171.9-82.8159.9000110.7P413P413-L415 PolarHBondContact O-N 3.17Å
416V42.5Very low39.2Very low129 Ų129132 Ų13278%0.78275%0.751SS**  trans-120.7129.4162.6178.60000106.7S414S414-V416 PolarHBondContact O-N 3.02Å
417S38.8Very low39Very low110 Ų110133.9 Ų133.977%0.76976%0.761SS**  trans-72.6136176.9-62.30000111.3
418D38Very low38.9Very low118 Ų118130.4 Ų130.463%0.63175%0.752SS**  -166.7141.794.1-125.7-11.9000115.3
419K45.7Very low38.7Very low152 Ų152133 Ų13366%0.66176%0.763SS**  trans43.1107.4149.1-68.3160.3-170.2104.80122.8
420N36.7Very low38.8Very low155 Ų155133.5 Ų133.583%0.82977%0.766SS**  96.5146.3124.2-64.3-1.2000121.8
421P40.9Very low38.5Very low116 Ų116131.7 Ų131.775%0.75377%0.766SS**  trans-130.9165.4-167.543-26.5000116.9
422T40.9Very low38.5Very low130 Ų130130.5 Ų130.580%0.79877%0.765SS**  trans-163.514915111.70000113
423T41.1Very low38.6Very low116 Ų116127.3 Ų127.371%0.71276%0.76SS**  trans55.5115.5158.750.40000118.5
424E38.7Very low38.6Very low187 Ų187128.7 Ų128.787%0.87476%0.756SS**  68.1139.476-73.2-174.8-14000114.6
425A40.5Very low38.7Very low78 Ų78129.3 Ų129.365%0.64575%0.751SS**  cis-170-178.9-1600000108.9
426V39.7Very low38.7Very low142 Ų142128 Ų12886%0.86175%0.745SS**  trans70.5148.3157.4165.30000117.4
427L36Very low38.6Very low142 Ų142129.4 Ų129.474%0.74375%0.747SS**  cis-171112.8-25.7179.965.7000113.3
428S36.2Very low38.6Very low83 Ų83130.3 Ų130.358%0.5875%0.748SS**  trans69155.7145.486.30000124.4
429K39.3Very low38.5Very low190 Ų190130.5 Ų130.583%0.82676%0.755SS**  trans71.1153.7147.6-74.5168.1-178.7174.70119.9
430S35.5Very low38.1Very low114 Ų114131.6 Ų131.680%0.79776%0.763SS**  cis-175.6147.5-25.451.10000111.8
431G35.9Very low37.9Very low65 Ų65129.7 Ų129.767%0.6776%0.761SS**  trans141.3132170.200000110.8
432S35.3Very low37.8Very low117 Ų117130.3 Ų130.382%0.81876%0.757SS**  cis78.8133.53987.80000112.7
433V39.8Very low37.5Very low118 Ų118134.6 Ų134.672%0.71576%0.76SS**  cis-164.2157.25.490.70000112.2
434Q35.1Very low36.9Very low151 Ų151137.3 Ų137.371%0.70677%0.767SS**  trans75.4148.3149.5-88-177.9-96.300126
435D37.4Very low36.7Very low122 Ų122134.4 Ų134.465%0.65276%0.762SS**  trans96.1131.2139.7-62.7-11.5000125.5
436D39Very low36.3Very low153 Ų153139.8 Ų139.882%0.81877%0.773SS**  trans79.3134.6152.5-70.2-22.6000126
437L39.9Very low35.9Very low159 Ų159139.1 Ų139.183%0.83277%0.774SS**  trans-90.7155.3-179.2-78.956.3000111.1
438V38.6Very low35.6Very low129 Ų129141 Ų14178%0.78278%0.781SS**  161.3131.4119.9157.30000109
439P37.2Very low35.5Very low121 Ų121146.5 Ų146.579%0.78679%0.794SS**  trans-85.5143.6-169.833.3-35.9000113.7
440Q37.3Very low35.3Very low175 Ų175146.6 Ų146.682%0.81880%0.798SS**  trans-105.5116.8168.2-75.7-171.5-11.600112.1
441S30.9Very low35.1Very low115 Ų115152.9 Ų152.980%0.80480%0.804SS**  trans-75.7118.2154.442.30000109.5
442I39.8Very low35.1Very low129 Ų129156.9 Ų156.966%0.66281%0.809SS**  trans-166.2159.3167.2-102.3145.5000108.3
443Y34.7Very low34.8Very low220 Ų220161.8 Ų161.886%0.86381%0.81SS**  trans85.668.9-175.4-66-66.4000118.7
444M28.2Very low34.6Very low173 Ų173162.3 Ų162.385%0.85281%0.813SS**  trans-82.1158.6134.8-94.9-78-84.800110.3
445T34.2Very low34.6Very low126 Ų126161.9 Ų161.977%0.77382%0.816SS**  trans84.371.2168-360000118.2
446H32.6Very low34.6Very low191 Ų191161.5 Ų161.588%0.88482%0.818SS**  trans-160.579.4143.3-147.8-91000116.9
447C31.8Very low34.2Very low128 Ų128161.6 Ų161.687%0.86582%0.819SS**  trans-160.9106.8148.6-148.60000113.3
448M28.5Very low33.9Very low183 Ų183159.5 Ų159.590%0.90182%0.817SS**  trans-155.189.2168.8-152.7-166-161.400111.3
449K35.3Very low33.7Very low197 Ų197157.7 Ų157.786%0.85781%0.81SS**  trans-179.9161.6158.8-105.9155.2-172.3174.70112.4
450Q34.8Very low33.5Very low193 Ų193159.8 Ų159.890%0.90281%0.814SS**  trans69.8134.4-176.2-43.5-166.246.300112.1
451R31.1Very low33.3Very low245 Ų245156.4 Ų156.493%0.92581%0.81SS**  cis-113.4155.122.3-152169.8-164.4144.14113.6
452L35.5Very low33.3Very low149 Ų149156.1 Ų156.178%0.7881%0.808SS**  trans-108.4153.1177.7-86.4162.8000112.4
453R28.6Very low32.9Very low221 Ų221155.1 Ų155.183%0.83481%0.813SS**  trans-10.2134.1162.4-58.9170.6178.1154.6-2.4119.3
454T36.8Very low33Very low128 Ų128151.8 Ų151.879%0.78582%0.815SS**  trans-174.5157.8134.546.50000107.4
455D33.9Very low33.1Very low142 Ų142151.2 Ų151.276%0.75981%0.814SS**  cis-160.5170.3-35-95.4-28.8000108.9
456T38.2Very low33Very low114 Ų114150.6 Ų150.670%0.69982%0.815SS**  trans-52145.4-171.652.40000120.4
457N29.5Very low32.9Very low155 Ų155146.8 Ų146.883%0.82981%0.81SS**  trans44.198.9135.5-59-16000120.9
458S35Very low33Very low115 Ų115149 Ų14980%0.80481%0.812SS**  trans178.6164.3147.750.90000109
459S32.8Very low33.1Very low91 Ų91145.8 Ų145.864%0.63681%0.808SS**  cis-173.9152-33.458.60000107.8
460L34.8Very low33.1Very low166 Ų166140.1 Ų140.187%0.86980%0.797SS**  trans64.3170169.1-54165.2000114.1
461S33.2Very low33.1Very low104 Ų104139.6 Ų139.673%0.72780%0.795SS**  cis-156.3168.1-39.350.60000108.9
462S29.8Very low33.5Very low108 Ų108135 Ų13576%0.75579%0.785SS**  trans-64.1142175.754.20000113.7
463S31.2Very low33.6Very low109 Ų109133.2 Ų133.276%0.76279%0.786SS**  159126.8111.3620000113.3
464V36.7Very low33.8Very low150 Ų150125.6 Ų125.691%0.90978%0.776SS**  trans-141.2110.4148.5-1740000107.8
465L30.5Very low33.9Very low161 Ų161125 Ų12584%0.84378%0.777SS**  trans-106.8145.5162.7-77.5169.1000107.6
466S31.9Very low33.9Very low112 Ų112126.6 Ų126.678%0.78378%0.78SS**  171.5161.8129.7-79.50000112.6
467S30.8Very low33.9Very low111 Ų111127.4 Ų127.478%0.77678%0.779SS**  trans67.294.8155.5-54.80000118.6
468L34.2Very low34.3Very low176 Ų176127.3 Ų127.392%0.92178%0.778SS**  -166.1119.5110.7-101.3161.9000110.8
469S29.9Very low34.3Very low115 Ų115130.6 Ų130.680%0.80478%0.781SS**  trans-96.5175163.7-48.30000108.2
470A35.8Very low34.3Very low77 Ų77134.1 Ų134.164%0.63679%0.792SS**  cis-154.9-168.312.600000110.4
471E34.8Very low34.1Very low182 Ų182131.4 Ų131.485%0.8579%0.786SS**  trans71.4145.4158.6-64.7173-150.100117
472M39.6Very low34Very low148 Ų148134.8 Ų134.873%0.72979%0.792SS**  cis-158.6145.5-0.9-121.2-77.1-79.800111.3
473S37Very low34.1Very low112 Ų112137 Ų13778%0.78380%0.795SS**  trans58.1155.7166.760.10000119.2
474G32.8Very low34.2Very low61 Ų61136.4 Ų136.463%0.62979%0.791SS**  cis161.6148.9-5.200000111.3
475S38.7Very low34.1Very low117 Ų117137.3 Ų137.382%0.81879%0.789SS**  trans62.9131-169.956.80000115
476E34.3Very low34.2Very low175 Ų175135.8 Ų135.882%0.81878%0.781SS**  70.8131.854.4-67.4-169.5154.800112.7
477I38.6Very low34.4Very low131 Ų131136.9 Ų136.967%0.67278%0.783SS**  cis-155.1174.217.8-125.3158000111.6
478N37.1Very low34.4Very low153 Ų153137 Ų13782%0.81878%0.776SS**  trans81.1125.3172.7-67.8-30.5000119.5
479H35.4Very low34.3Very low184 Ų184135.8 Ų135.885%0.85277%0.77SS**  trans-85.9149.3162.4-61-102.7000110.2
480D33.3Very low34.5Very low164 Ų164138.9 Ų138.988%0.87777%0.771SS**  -169.3171.1117.4-123.3-32.7000113.7
481C30Very low34.4Very low109 Ų109142.5 Ų142.574%0.73678%0.779SS**  trans65.386.7165.4-158.10000118.3
482M30.7Very low34.3Very low176 Ų176139.1 Ų139.187%0.86778%0.776SS**  trans-67.8133.4141.1-74.4-102.581.400109.4
483L33.4Very low34Very low154 Ų154139 Ų13981%0.80678%0.778SS**  trans180136.2131.5-99161.9000114.5
484S32.9Very low33.9Very low96 Ų96141.8 Ų141.867%0.67178%0.783SS**  trans9.2116.9156.958.30000120.5N486S484-N486 PolarHBondContact O-N 3.14Å
485I33.5Very low34Very low169 Ų169150 Ų15087%0.86780%0.795SS**  trans-72114.3160.6-60.2172.2000109.6
486N33.1Very low33.7Very low130 Ų130152.1 Ų152.170%0.69580%0.796SS**  trans-153.186.7166.4-167.5-6.7000110.9S484 N488S484-N486 PolarHBondContact O-N 3.14Å; N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 PolarHBondContact OD1-ND2 3.49Å
487T36Very low33.7Very low134 Ų134150 Ų15082%0.82280%0.796SS**  trans-79.2100.7-171.951.20000112.5
488N32Very low33.6Very low115 Ų115155.3 Ų155.362%0.61581%0.807SS**  trans-117.6127.3170.3-88.2-76.4000112.1N486N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 PolarHBondContact OD1-ND2 3.49Å
489N31.6Very low33.6Very low149 Ų149155.6 Ų155.680%0.79780%0.804SS**  trans32.891149.6-60.9-47.6000119.7
490H32.8Very low33.6Very low180 Ų180154.8 Ų154.883%0.83380%0.802SS**  trans-127.9153.3138.2-91.2-110000107.2
491L33.8Very low33.8Very low153 Ų153154.4 Ų154.480%0.80180%0.8SS**  cis-122145.68.4-67.676.4000111.7
492S33.6Very low34.3Very low112 Ų112158 Ų15878%0.78380%0.804SS**  trans-116.278.2160.150.50000110.7
493N33.3Very low34.7Very low146 Ų146156.6 Ų156.678%0.78180%0.799SS**  trans-165.7107.8165.4-100.8-33.8000111.6
494L34.9Very low35.3Very low169 Ų169157 Ų15789%0.88580%0.801SS**  trans178.3100.1146.6-100.2157.6000109.2
495R35Very low35.4Very low235 Ų235163.6 Ų163.689%0.88783%0.827SS**  trans-95.2155.8160.5-91.3-175.2167.9121.4-6.4108
496L33Very low35.5Very low161 Ų161163.3 Ų163.384%0.84383%0.825SS**  trans70.1141-173.9-43.3167.2000110.4
497T34.7Very low35.6Very low131 Ų131165.1 Ų165.180%0.80483%0.832SS**  cis-133.2147.313.243.10000112.6
498R34.7Very low35.6Very low242 Ų242166.8 Ų166.891%0.91383%0.832SS**  trans-99.3116.7151.2-80179.3172.6171.5-4.5107.6
499Q37.5Very low35.8Very low158 Ų158169.8 Ų169.874%0.73885%0.845SS**  trans175.9154139.5-150.266.6-14.300109.4
500M36.3Very low36.1Very low168 Ų168171.1 Ų171.183%0.82885%0.848SS**  trans67.9133.9172.6-40.2-173.5-148.200113.7
501N37.7Very low36.3Very low155 Ų155170.5 Ų170.583%0.82985%0.849SS**  cis-119.7154.618.3-82.8-38.1000114.3
502K40.5Very low36.5Very low186 Ų186171.8 Ų171.881%0.80985%0.853SS**  trans-98.2166.4148-69.5-177.5171.8-176.50108
503N38.5Very low36.7Very low146 Ų146176.4 Ų176.478%0.78186%0.858SS**  trans72.7101.3169.3-44.6-10.1000115
504I45.3Very low37Very low162 Ų162178.9 Ų178.983%0.83186%0.864SS**  trans-163.4127.8133.8-95.6151.6000104.3
505L35.8Very low37.2Very low234 Ų234179.8 Ų179.8100%1.22586%0.862SS**  trans65.20-159.6-65.2155.7000113.1

Retrieved 505 of 505 residues in 174.4 ms (Link to these results)