A0A077YWY4_TRITR Loading...

Claspin

AlphaFold DB , UniProt , Accession A0A077YWY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 798 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
1M46.6Very low51.1Low248 Ų248154.5 Ų154.5100%1.22285%0.853SS**  0123.80-76.5177.712900107.4
2S46.2Very low51.4Low119 Ų119154.6 Ų154.683%0.83284%0.843SS**  trans54.397.4175.8-160.40000119.6
3S44Very low51.2Low107 Ų107151.9 Ų151.975%0.74884%0.838SS**  trans-98.5147.9148.872.60000108.9
4V57.7Low51.8Low125 Ų125150.9 Ų150.976%0.75884%0.838SS**  trans-138.9118161.3179.60000108.5L6V4-L6 HydrophobicContact CG1-CD1 4.48Å
5V43.9Very low51.6Low128 Ų128154.6 Ų154.678%0.77684%0.842SS**  trans-119132.1172.8172.10000106.1
6L55Low51.9Low158 Ų158155.3 Ų155.383%0.82784%0.842SS**  trans-149.997.5168.3-92156.9000105.7V4V4-L6 HydrophobicContact CG1-CD1 4.48Å
7S55.3Low51.8Low107 Ų107151.9 Ų151.975%0.74884%0.84SS**  75.9119.369.1-151.70000113.6
8T46Very low51.3Low128 Ų128148.7 Ų148.779%0.78584%0.836SS**  trans-86.1157.5-169.147.90000112.6
9M56.3Low51.4Low194 Ų194147.8 Ų147.896%0.95684%0.838SS**  trans-142.2126.4154.4-81.9-142.782.600111.3
10Q45.7Very low51Low175 Ų175145.1 Ų145.182%0.81883%0.834SS**  trans-107.3142.8-173-161.9177.88.500108.7
11K65.3Low51.2Low211 Ų211148 Ų14892%0.91784%0.837SS**  trans-148.3124.5170.9-139171.6-173.8177.10111
12E54.5Low51.6Low155 Ų155143.4 Ų143.472%0.72482%0.817SS**  trans-84.5165-173.1-77-160134.200115.4K199E12-K199 IonicContact OE1-NZ 3.73Å
13P49Very low51.6Low120 Ų120143.6 Ų143.678%0.77982%0.816SS**  trans-104.9170.3-16640.1-31.8000115.6
14V59.2Low52Low138 Ų138145.2 Ų145.284%0.83682%0.821SS**  trans-124.4126175.5175.70000111
15K49.5Very low51.3Low206 Ų206148 Ų14890%0.89683%0.826SS**  trans-86.1139.4174.3-79.1176.5174.41760111.9
16I56.9Low51Low166 Ų166147.7 Ų147.785%0.85183%0.828SS**  trans-135.9137.9162.2-58.5-179.5000109.6
17A50.2Low50.5Low97 Ų97147.6 Ų147.680%0.80283%0.827SS**  trans-87.3162.4-165.200000116
18A41.4Very low49.8Very low94 Ų94148 Ų14878%0.77783%0.829SS**  trans-64.1177.3-179.300000116
19P53.9Low49.7Very low133 Ų133149.8 Ų149.886%0.86483%0.833SS**  -148.7166.3109.535.4-16.6000117.7
20A43.7Very low49.4Very low93 Ų93149.8 Ų149.877%0.76983%0.831SS**  trans-69.2164.8-168.900000118.2
21K55.2Low50Low206 Ų206150.5 Ų150.590%0.89683%0.831SS**  trans-149.2143.1154.6-99.5173-172.8178.20111.8
22D55.3Low49.6Very low151 Ų151146.2 Ų146.281%0.80783%0.825SS**  trans-72.5165.4-158.7-62.3-56000117.8
23P46.7Very low49.7Very low123 Ų123148.8 Ų148.880%0.79983%0.834SS**  trans-92.7146.4-175.636.4-31.9000113.5
24V50.5Low49.8Very low141 Ų141150.5 Ų150.586%0.85584%0.835SS**  trans-106.1126.4172.1176.80000109.9
25Q43.2Very low49.7Very low185 Ų185149.3 Ų149.386%0.86483%0.834SS**  trans-73.3131.5175.4-70.4172.6-21.300111.4
26C38.6Very low50Low121 Ų121145.3 Ų145.382%0.81883%0.826SS**  trans-130.7104.6157.1-84.70000110
27I43.7Very low50.3Low156 Ų156140.7 Ų140.780%0.881%0.809SS**  trans23.4115.8142.1-38.6175.9000117.1
28S40.4Very low51.2Low115 Ų115144.4 Ų144.480%0.80482%0.815SS**  trans-65.2120171.250.60000112.7
29L45.3Very low52.7Low165 Ų165146.5 Ų146.586%0.86481%0.813SS**  trans-104.3120.8159-106.8141.7000107.9K31L29-K31 PolarHBondContact O-N 3.27Å
30E50.2Low53.3Low194 Ų194143.3 Ų143.391%0.90780%0.804SS**PPolyproline II helixtrans-55.8119.5-179.3-75.2177.8138.700110.9
31K56.7Low54.1Low191 Ų191147.6 Ų147.683%0.8381%0.806SS**PPolyproline II helixtrans-80.3130.7166.9-66.7178.6-178.7177.50108.2L29 K33L29-K31 PolarHBondContact O-N 3.27Å; K31-K33 PolarHBondContact O-N 3.27Å
32P57.1Low54.5Low121 Ų121142.9 Ų142.979%0.78679%0.794SS**PPolyproline II helixtrans-61.6126.2170.824.8-30.6000109.1L34P32-L34 PolarHBondContact O-N 3.2Å
33K57.9Low55.1Low208 Ų208142 Ų14290%0.90479%0.789SS**  trans-70106.7172.2-77.6176.7176.2175.90108.2K31 S35K31-K33 PolarHBondContact O-N 3.27Å; K33-S35 PolarHBondContact O-N 3.47Å
34L50.9Low56.1Low156 Ų156142.2 Ų142.282%0.81778%0.783SS**  trans-79.7104.4160.5-68.4170.2000107.2P32P32-L34 PolarHBondContact O-N 3.2Å
35S56.4Low56.7Low114 Ų114142.2 Ų142.280%0.79778%0.778SS**PPolyproline II helixtrans-76.3116.8164.548.30000108.3K33K33-S35 PolarHBondContact O-N 3.47Å
36V55.7Low57.5Low122 Ų122141.4 Ų141.474%0.73978%0.78SS**PPolyproline II helixtrans-82.3119.9169.7173.70000107.2
37S63.4Low58.3Low69 Ų69146.4 Ų146.448%0.48378%0.781SS.*PPolyproline II helixtrans-66.4146.4166.7-39.40000109.3D39 G40S37-D39 PolarHBondContact O-N 3.41Å; S37-G40 PolarHBondContact O-N 3.21Å
38D68.3Low58.5Low174 Ų174146.7 Ų146.793%0.9379%0.785SS**THydrogen-bonded Turntrans-59.3-3.9178.7-103.7-19.4000114.2
39D73.9Confident59.1Low139 Ų139149.3 Ų149.374%0.74379%0.788SS**THydrogen-bonded Turntrans-100.14.7-176.9-47.7-26.4000113.3S37 F41S37-D39 PolarHBondContact O-N 3.41Å; D39-F41 PolarHBondContact O-N 3.48Å; D39-F41 VanDerWaalsContact O-N 3.11Å
40G65.5Low59.3Low65 Ų65145.7 Ų145.767%0.6778%0.782SS**  trans69.58.9170.300000116.5S37S37-G40 PolarHBondContact O-N 3.21Å
41F62.2Low59Low184 Ų184144.6 Ų144.681%0.80778%0.782SS**  trans-100.6130.6175.5-103-95.3000112.1D39D39-F41 PolarHBondContact O-N 3.48Å; D39-F41 VanDerWaalsContact O-N 3.11Å
42V63.7Low58.8Low107 Ų107144.4 Ų144.465%0.64878%0.784SS**  trans-93.8112.7170177.50000107.4
43D67.4Low58.1Low133 Ų133150.2 Ų150.271%0.71179%0.791SS**  trans-73.4123.9173.7-160.7-7.9000109.4N45D43-N45 PolarHBondContact OD1-ND2 2.73Å
44L67.1Low57.8Low126 Ų126146.4 Ų146.466%0.6679%0.787SS**  trans-105.614-170.5-93.6152.9000112.8D46L44-D46 PolarHBondContact O-N 3.1Å
45N64.1Low57.4Low141 Ų141145 Ų14575%0.75479%0.785SS**  trans-88.48.7-169.6-72.6-42.7000116.6D43D43-N45 PolarHBondContact OD1-ND2 2.73Å
46D59.7Low57.1Low169 Ų169147.3 Ų147.390%0.90479%0.788SS**  trans-108.327-170.1-104.9-2.7000115.7L44L44-D46 PolarHBondContact O-N 3.1Å
47W54.7Low56.6Low225 Ų225146.6 Ų146.685%0.85279%0.787SS**  trans-107.424.3-171-126.7-35.9000118.3
48D48.9Very low55.4Low163 Ų163151 Ų15187%0.87280%0.803SS**  trans-110.581.7176.3-91.1-21.8000113
49I52.4Low54.1Low170 Ų170154.7 Ų154.787%0.87281%0.805SS**  trans-143.8120.3163.9-59-177.7000112.1
50A48.2Very low52.6Low89 Ų89154.9 Ų154.974%0.73681%0.811SS**  trans90.983.715000000121
51D44.9Very low51.8Low170 Ų170155.6 Ų155.691%0.90982%0.818SS**  trans-78109.9141.5-99.5-30000110.5
52Q51.6Low51Low188 Ų188156.2 Ų156.288%0.87982%0.823SS**  trans-145.6104.9157.4-71.3-163.119.400111.3
53R42.6Very low50.1Low243 Ų243156.1 Ų156.192%0.91783%0.834SS**PPolyproline II helixtrans-84.1134.9164.9-97-176.6178.9-1801.7110.5
54P51.5Low49Very low127 Ų127159.3 Ų159.383%0.82584%0.841SS**PPolyproline II helixtrans-94.4127163.632.4-26.3000111.4
55T44.5Very low48.1Very low127 Ų127162.5 Ų162.578%0.77985%0.853SS**PPolyproline II helixtrans-92141.5169.645.20000110.5
56N48.2Very low47.3Very low162 Ų162161.1 Ų161.187%0.86686%0.855SS**  trans-156.1132.4157.7-94.2-36.2000110.1
57P45.2Very low46.5Very low108 Ų108158.8 Ų158.870%0.70185%0.846SS**  trans-112170-175.741.2-32.6000114.8
58L39.6Very low46.1Very low160 Ų160159.9 Ų159.984%0.83885%0.85SS**  trans73.2115.1157.8-9581.6000120.5
59R41.3Very low45.8Very low253 Ų253159.5 Ų159.596%0.95585%0.847SS**  -164.1137.2115.7-122.9179.9175.9-155.1-0.5113.5
60T41.4Very low45.5Very low142 Ų142161.8 Ų161.887%0.87185%0.851SS**  trans-82.7151-178.944.40000112.9
61G48.5Very low45.1Very low80 Ų80160.4 Ų160.483%0.82585%0.845SS**  trans-171.2112.8170.500000112.3
62Q45Very low45.1Very low197 Ų197158.8 Ų158.892%0.92184%0.841SS**  trans-74.7148.3-175.6-58.8179-3800113.4
63A45.1Very low44.7Very low105 Ų105161 Ų16187%0.86884%0.842SS**  trans-170.7136.2134.500000112
64K44.5Very low44.7Very low200 Ų200154.6 Ų154.687%0.8783%0.834SS**  trans-92.7149.5-177.4-62.9166.7174.2175.90111.1
65Q49.3Very low44.5Very low194 Ų194156.9 Ų156.991%0.90784%0.838SS**  trans169.1111135.5-93.4171.525.200108.6
66S47.3Very low44.4Very low112 Ų112155 Ų15578%0.78383%0.831SS**  90.290.283.2-167.80000114
67V42.4Very low44.1Very low119 Ų119154.3 Ų154.372%0.72183%0.827SS**  trans22.9125.1132.6-173.60000119
68R45.2Very low44.2Very low248 Ų248157.6 Ų157.694%0.93684%0.837SS**  -163.2123.2127.9-104.1170.3-158-173.26112.2
69L42.8Very low44.3Very low155 Ų155155.2 Ų155.281%0.81283%0.833SS**  trans-68145.6166.3-74.994.7000111.7
70F45.6Very low44.4Very low218 Ų218151.2 Ų151.296%0.95682%0.822SS**  trans-145.6140.9141.2-107.5-84.5000108.3
71G41.2Very low44.5Very low60 Ų60153.9 Ų153.962%0.61982%0.816SS**  trans-117.1172.8-166.400000114.6
72V44.8Very low44.6Very low136 Ų136157.3 Ų157.382%0.82482%0.821SS**  trans56.1112.7150.2-139.30000117.6
73R42.9Very low44.4Very low236 Ų236152.1 Ų152.189%0.89181%0.807SS**  169.3138.7102.6-88.8179.4176.6-176.1-2.8112.8
74S43.3Very low44.2Very low108 Ų108155 Ų15576%0.75581%0.808SS**  trans-33.2136.4167.4177.90000117
75L46.2Very low44.1Very low174 Ų174150.4 Ų150.491%0.91181%0.807SS**  trans-142.2119.1147.5-79.7173.7000108.7
76S41.8Very low43.8Very low89 Ų89145.6 Ų145.662%0.62280%0.8SS**  trans-75.3158.516147.90000110.5
77D42.2Very low43.9Very low147 Ų147148.7 Ų148.779%0.78680%0.802SS**  trans74.5106.7168.3-52.5-31.3000117.4
78I47.1Very low44.3Very low176 Ų176148.3 Ų148.390%0.90380%0.8SS**  trans-165110.3137.4-86.8137.5000107.8
79C42.8Very low44.5Very low111 Ų111143 Ų14375%0.7579%0.79SS**  trans-79.1145.3161.7-66.30000110
80F42.6Very low44.7Very low168 Ų168142.1 Ų142.174%0.73779%0.787SS**  158.7131.6119.3-109.4-103.8000113.1
81R43.3Very low45.2Very low198 Ų198141.5 Ų141.575%0.74778%0.784SS**  trans38.4122.6144.5-72.6-175.8-169.7179.91.3120
82V50.2Low45.7Very low153 Ų153145.6 Ų145.693%0.92779%0.792SS**  trans-116.6127.5144.1178.10000107.9
83S41.3Very low46.3Very low88 Ų88148.3 Ų148.362%0.61580%0.795SS**  trans-116.6145.1177.8-60.40000109.7
84N40.7Very low46.9Very low166 Ų166145.4 Ų145.489%0.88879%0.791SS**  trans28.8122.2156-65.1-7000119.8
85A42.2Very low47.3Very low103 Ų103147.3 Ų147.385%0.85179%0.792SS**  -169.9132.8122.900000111.1
86A44.9Very low47.8Very low93 Ų93141.7 Ų141.777%0.76978%0.776SS**  trans-65.7142.4169.500000111.6
87Q49.2Very low48.8Very low177 Ų177143.5 Ų143.583%0.82778%0.783SS**  174.1132.3127.9-98.4172.318.500112
88T49.2Very low50Low110 Ų110139 Ų13968%0.67577%0.772SS**  trans72.3114145.862.30000120.5
89N49.4Very low51.4Low137 Ų137134.4 Ų134.473%0.73376%0.755SS**  trans81.8116.6132.2-59.3-0.5000118.5
90D48.8Very low53.4Low137 Ų137133 Ų13373%0.73375%0.746SS**  trans51.594.3141.6-56.2-23.9000115.6
91F54.8Low55.5Low205 Ų205132.5 Ų132.590%0.89974%0.74SS**  trans161.182.5147.4-85.3-63.5000107.5
92D51.7Low57.7Low146 Ų146127.6 Ų127.678%0.78173%0.728SS**  trans-167.279.8158.2-106.5-23.7000111.1
93E57Low59.6Low192 Ų192124.6 Ų124.690%0.89771%0.71SS**  trans-105.816172.4-110.6-175.2175.300113.2
94H56.4Low62.1Low175 Ų175125 Ų12581%0.8171%0.705SS**SBendtrans-124.717.9-170.5-93.7-65.3000118.1
95L52.5Low64.7Low149 Ų149122.4 Ų122.478%0.7869%0.685SS**  trans-119.728.2177.6-68.8171.7000115.1V97L95-V97 PolarHBondContact O-N 3.46Å
96G55.3Low67.2Low55 Ų55124 Ų12457%0.56767%0.673SS**  trans-80.6-4.1-17700000117.3
97V62.6Low69.7Low128 Ų128122.7 Ų122.778%0.77665%0.653SS**Hα-helixtrans-76.8-32.4-169.5-168.70000112.7L95 S100L95-V97 PolarHBondContact O-N 3.46Å; V97-S100 PolarHBondContact O-N 3.22Å
98G67.4Low71.9Confident53 Ų53118.5 Ų118.555%0.54664%0.636SS.*Hα-helixtrans-70.7-32.2-178.200000114.7S100G98-S100 VanDerWaalsContact C-N 3.34Å
99S76.3Confident74.2Confident79 Ų79118.4 Ų118.455%0.55263%0.628SS**Hα-helixtrans-75-24.3-179.9-52.80000112.9T103S99-T103 WeakPolarHBondContact O-CB 3.38Å; S99-T103 PolarHBondContact O-N 3.46Å; S99-T103 VanDerWaalsContact O-N 3.1Å; S99-T103 PolarHBondContact O-OG1 3.3Å
100S84.8Confident76.4Confident80 Ų80119.8 Ų119.856%0.55962%0.623SS**Hα-helixtrans-65.3-45.6177.7-176.30000111.4V97 G98 T103 L104V97-S100 PolarHBondContact O-N 3.22Å; G98-S100 VanDerWaalsContact C-N 3.34Å; S100-T103 PolarHBondContact O-N 3.45Å; S100-L104 WeakPolarHBondContact O-CB 3.34Å; S100-L104 PolarHBondContact O-N 2.86Å
101W87.4Confident78.7Confident159 Ų159119.6 Ų119.660%0.60262%0.616SS**Hα-helixtrans-65-43.5-180-17886.3000112.8T103 L104 K105W101-T103 VanDerWaalsContact C-N 3.29Å; W101-T103 PolarHBondContact O-N 3.4Å; W101-L104 PolarHBondContact O-N 2.86Å; W101-K105 HydrophobicContact CH2-CD 3.83Å; W101-K105 HydrophobicContact CZ2-CD 4.27Å; W101-K105 HydrophobicContact CZ3-CD 4.14Å; W101-K105 WeakPolarHBondContact O-CB 3.35Å; W101-K105 PolarHBondContact O-N 3.45Å
102L89.2Confident80.7Confident94 Ų94114 Ų11449%0.49259%0.594SS.*Hα-helixtrans-63.1-36.3175.3-75.5169000112.1K106L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 WeakPolarHBondContact O-CG 3.49Å; L102-K106 PolarHBondContact O-N 2.91Å
103T91.5Very high82.9Confident91 Ų91110.7 Ų110.756%0.55858%0.577SS**Hα-helixtrans-69.7-42.3176.7-56.20000111.2S99 S100 W101 K106 N107S99-T103 WeakPolarHBondContact O-CB 3.38Å; S99-T103 PolarHBondContact O-N 3.46Å; S99-T103 VanDerWaalsContact O-N 3.1Å; S99-T103 PolarHBondContact O-OG1 3.3Å; S100-T103 PolarHBondContact O-N 3.45Å; W101-T103 VanDerWaalsContact C-N 3.29Å; W101-T103 PolarHBondContact O-N 3.4Å; T103-K106 PolarHBondContact O-N 3.23Å; T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 3.05Å
104L93Very high84.8Confident97 Ų97105.7 Ų105.751%0.50856%0.556SS.*Hα-helixtrans-62.7-45.6174.9-178.263.7000111.4S100 W101 K106 N107 L108S100-L104 WeakPolarHBondContact O-CB 3.34Å; S100-L104 PolarHBondContact O-N 2.86Å; W101-L104 PolarHBondContact O-N 2.86Å; L104-K106 PolarHBondContact O-N 2.85Å; L104-N107 WeakPolarHBondContact O-CB 3.45Å; L104-N107 PolarHBondContact O-N 3.34Å; L104-N107 VanDerWaalsContact O-N 3.17Å; L104-L108 HydrophobicContact CD1-CD1 4.35Å; L104-L108 HydrophobicContact CD1-CG 4.43Å; L104-L108 HydrophobicContact CG-CD1 4.09Å; L104-L108 WeakPolarHBondContact O-CG 3.41Å; L104-L108 PolarHBondContact O-N 3.11Å
105K95.4Very high86.7Confident110 Ų110104.9 Ų104.948%0.47855%0.55SS..Hα-helixtrans-57.9-49.7176.1-176.8178177.5178.90111.4W101 N107 L108 E109W101-K105 HydrophobicContact CH2-CD 3.83Å; W101-K105 HydrophobicContact CZ2-CD 4.27Å; W101-K105 HydrophobicContact CZ3-CD 4.14Å; W101-K105 WeakPolarHBondContact O-CB 3.35Å; W101-K105 PolarHBondContact O-N 3.45Å; K105-N107 VanDerWaalsContact C-N 3.3Å; K105-N107 PolarHBondContact O-N 3.42Å; K105-L108 PolarHBondContact O-N 2.92Å; K105-E109 WeakPolarHBondContact O-CB 3.31Å; K105-E109 PolarHBondContact O-N 2.87Å
106K95.6Very high88.8Confident137 Ų137106.1 Ų106.160%0.59654%0.544SS*.Hα-helixtrans-62.2-35.8176.1-74.3179.7179-1780112.6L102 T103 L104 R110L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 WeakPolarHBondContact O-CG 3.49Å; L102-K106 PolarHBondContact O-N 2.91Å; T103-K106 PolarHBondContact O-N 3.23Å; L104-K106 PolarHBondContact O-N 2.85Å; K106-R110 VanDerWaalsContact O-CB 3.31Å; K106-R110 WeakPolarHBondContact O-CB 3.48Å; K106-R110 PolarHBondContact O-N 3.16Å
107N95.5Very high90.8Very high66 Ų66109.5 Ų109.535%0.35355%0.545SS..Hα-helixtrans-67.9-45.9176.8-167.1-61.6000111.4T103 L104 K105 R110 K111T103-N107 WeakPolarHBondContact O-CB 3.47Å; T103-N107 PolarHBondContact O-N 3.05Å; L104-N107 WeakPolarHBondContact O-CB 3.45Å; L104-N107 PolarHBondContact O-N 3.34Å; L104-N107 VanDerWaalsContact O-N 3.17Å; K105-N107 VanDerWaalsContact C-N 3.3Å; K105-N107 PolarHBondContact O-N 3.42Å; N107-R110 PolarHBondContact O-N 2.96Å; N107-K111 WeakPolarHBondContact O-CG 3.2Å; N107-K111 PolarHBondContact O-N 3.49Å; N107-K111 WeakPolarHBondContact OD1-CE 3.42Å
108L96.9Very high92.4Very high89 Ų89109 Ų10947%0.46653%0.534SS..Hα-helixtrans-62.3-44.9175.9-76.6168.6000111.7L104 K105 R110 K111 I112L104-L108 HydrophobicContact CD1-CD1 4.35Å; L104-L108 HydrophobicContact CD1-CG 4.43Å; L104-L108 HydrophobicContact CG-CD1 4.09Å; L104-L108 WeakPolarHBondContact O-CG 3.41Å; L104-L108 PolarHBondContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 2.92Å; L108-R110 PolarHBondContact O-N 3.09Å; L108-K111 PolarHBondContact O-N 2.93Å; L108-I112 VanDerWaalsContact O-CG1 3.31Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 2.99Å
109E97.1Very high93.8Very high107 Ų107107.9 Ų107.950%0.552%0.523SS..Hα-helixtrans-61.3-43.4176.2-172.9174.3-173.200111.6K105 K111 I112 N113K105-E109 WeakPolarHBondContact O-CB 3.31Å; K105-E109 PolarHBondContact O-N 2.87Å; E109-K111 PolarHBondContact O-N 3.39Å; E109-I112 PolarHBondContact O-N 3.5Å; E109-N113 WeakPolarHBondContact O-CB 3.28Å; E109-N113 PolarHBondContact O-N 3.32Å
110R96.3Very high94.8Very high167 Ų167108.6 Ų108.663%0.6352%0.52SS*.Hα-helixtrans-62.1-41.9173.9-168.7-175.9-62.9127.9-1.6111.9K106 N107 L108 N114K106-R110 VanDerWaalsContact O-CB 3.31Å; K106-R110 WeakPolarHBondContact O-CB 3.48Å; K106-R110 PolarHBondContact O-N 3.16Å; N107-R110 PolarHBondContact O-N 2.96Å; L108-R110 PolarHBondContact O-N 3.09Å; R110-N114 VanDerWaalsContact O-CB 3.25Å; R110-N114 WeakPolarHBondContact O-CB 3.37Å; R110-N114 PolarHBondContact O-N 3.47Å
111K97.1Very high95.3Very high133 Ų133109.3 Ų109.358%0.57852%0.518SS*.Hα-helixtrans-64.8-42.4176.8-78.3-179.4175.2-179.60112N107 L108 E109 N114 K115N107-K111 WeakPolarHBondContact O-CG 3.2Å; N107-K111 PolarHBondContact O-N 3.49Å; N107-K111 WeakPolarHBondContact OD1-CE 3.42Å; L108-K111 PolarHBondContact O-N 2.93Å; E109-K111 PolarHBondContact O-N 3.39Å; K111-N114 PolarHBondContact O-N 3.22Å; K111-K115 PolarHBondContact O-N 3.17Å
112I96.8Very high95.8Very high88 Ų88105.8 Ų105.845%0.45152%0.517SS..Hα-helixtrans-65.7-45.6177.2-68.9166.6000110.3L108 E109 K115 R116L108-I112 VanDerWaalsContact O-CG1 3.31Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 2.99Å; E109-I112 PolarHBondContact O-N 3.5Å; I112-K115 PolarHBondContact O-N 2.89Å; I112-R116 WeakPolarHBondContact O-CG 3.3Å; I112-R116 PolarHBondContact O-N 2.89Å
113N96.7Very high96.2Very high76 Ų76109.1 Ų109.141%0.40652%0.522SS..Hα-helixtrans-64.7-39.7177.3-75.5-16.2000112E109 R116 Q117E109-N113 WeakPolarHBondContact O-CB 3.28Å; E109-N113 PolarHBondContact O-N 3.32Å; N113-R116 PolarHBondContact O-N 3.08Å; N113-Q117 WeakPolarHBondContact O-CG 3.36Å; N113-Q117 PolarHBondContact O-N 2.86Å
114N97.1Very high96.4Very high87 Ų87111.1 Ų111.147%0.46552%0.521SS..Hα-helixtrans-62.1-47.1174.2-173.2-58.7000111.4R110 K111 R116 Q117 Q118R110-N114 VanDerWaalsContact O-CB 3.25Å; R110-N114 WeakPolarHBondContact O-CB 3.37Å; R110-N114 PolarHBondContact O-N 3.47Å; K111-N114 PolarHBondContact O-N 3.22Å; N114-R116 VanDerWaalsContact C-N 3.32Å; N114-R116 PolarHBondContact O-N 3.11Å; N114-Q117 PolarHBondContact O-N 3.2Å; N114-Q117 VanDerWaalsContact O-N 3.17Å; N114-Q118 WeakPolarHBondContact O-CG 3.43Å; N114-Q118 PolarHBondContact O-N 2.87Å; N114-Q118 PolarHBondContact OD1-NE2 3.34Å
115K97Very high96.6Very high157 Ų157110.2 Ų110.268%0.68351%0.514SS*.Hα-helixtrans-60.3-38.6174.7-77.6-170.5174.6-170.80112.9K111 I112 G119K111-K115 PolarHBondContact O-N 3.17Å; I112-K115 PolarHBondContact O-N 2.89Å; K115-G119 PolarHBondContact O-N 3.47Å
116R96.5Very high96.7Very high176 Ų176110.6 Ų110.666%0.66452%0.521SS*.Hα-helixtrans-64.9-41.7175-75.4177.2176.6-177-1.9111.9I112 N113 N114 G119 L120I112-R116 WeakPolarHBondContact O-CG 3.3Å; I112-R116 PolarHBondContact O-N 2.89Å; N113-R116 PolarHBondContact O-N 3.08Å; N114-R116 VanDerWaalsContact C-N 3.32Å; N114-R116 PolarHBondContact O-N 3.11Å; R116-G119 PolarHBondContact O-N 2.9Å; R116-L120 WeakPolarHBondContact O-CB 3.21Å; R116-L120 PolarHBondContact O-N 3Å
117Q96.5Very high96.9Very high126 Ų126110.7 Ų110.759%0.58952%0.518SS*.Hα-helixtrans-66.9-42.3176.1-72.6-64.8-11.800111.9N113 N114 G119 L120 N121N113-Q117 WeakPolarHBondContact O-CG 3.36Å; N113-Q117 PolarHBondContact O-N 2.86Å; N114-Q117 PolarHBondContact O-N 3.2Å; N114-Q117 VanDerWaalsContact O-N 3.17Å; Q117-G119 PolarHBondContact O-N 3.27Å; Q117-L120 WeakPolarHBondContact O-CB 3.41Å; Q117-L120 PolarHBondContact O-N 2.81Å; Q117-N121 WeakPolarHBondContact O-CB 3.44Å; Q117-N121 PolarHBondContact O-N 3.44Å
118Q96Very high97Very high116 Ų116111.9 Ų111.954%0.54252%0.519SS..Hα-helixtrans-59.1-46.3172.1-73-178.6-14.100111.4N114 L120 N121 C122N114-Q118 WeakPolarHBondContact O-CG 3.43Å; N114-Q118 PolarHBondContact O-N 2.87Å; N114-Q118 PolarHBondContact OD1-NE2 3.34Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 3.47Å; Q118-N121 PolarHBondContact O-N 2.84Å; Q118-C122 PolarHBondContact O-N 3.4Å; Q118-C122 PolarHBondContact O-SG 3.39Å
119G97.2Very high97Very high30 Ų30112.1 Ų112.131%0.30952%0.518SS..Hα-helixtrans-66.6-26.9176.300000114.3K115 R116 Q117 R123K115-G119 PolarHBondContact O-N 3.47Å; R116-G119 PolarHBondContact O-N 2.9Å; Q117-G119 PolarHBondContact O-N 3.27Å; G119-R123 WeakPolarHBondContact O-CG 3.33Å; G119-R123 PolarHBondContact O-N 2.94Å; G119-R123 PolarHBondContact O-NE 3.21Å; G119-R123 VanDerWaalsContact O-NE 3.15Å
120L96.3Very high97Very high94 Ų94111.2 Ų111.249%0.49252%0.517SS..Hα-helixtrans-70.9-45.3170.1-164.681.9000110.5R116 Q117 Q118 R123 Y124R116-L120 WeakPolarHBondContact O-CB 3.21Å; R116-L120 PolarHBondContact O-N 3Å; Q117-L120 WeakPolarHBondContact O-CB 3.41Å; Q117-L120 PolarHBondContact O-N 2.81Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 3.47Å; L120-R123 PolarHBondContact O-N 2.83Å; L120-Y124 PolarHBondContact O-N 3.32Å
121N97.1Very high96.9Very high96 Ų96107.8 Ų107.851%0.51351%0.508SS..Hα-helixtrans-62.9-44.8179.3-161.948.6000112.1Q117 Q118 R123 Y124 E125Q117-N121 WeakPolarHBondContact O-CB 3.44Å; Q117-N121 PolarHBondContact O-N 3.44Å; Q118-N121 PolarHBondContact O-N 2.84Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.25Å; N121-Y124 WeakPolarHBondContact O-CB 3.25Å; N121-Y124 PolarHBondContact O-N 3.5Å; N121-Y124 VanDerWaalsContact O-N 3.14Å; N121-E125 PolarHBondContact O-N 2.81Å
122C96.6Very high96.9Very high85 Ų85106.9 Ų106.957%0.57451%0.506SS*.Hα-helixtrans-59.9-38.6175.7-65.50000112.4Q118 L126Q118-C122 PolarHBondContact O-N 3.4Å; Q118-C122 PolarHBondContact O-SG 3.39Å; C122-L126 WeakPolarHBondContact O-CB 3.05Å; C122-L126 PolarHBondContact O-N 3.47Å
123R97.1Very high96.8Very high163 Ų163110.9 Ų110.962%0.61552%0.515SS*.Hα-helixtrans-70.8-33.5176.3-75.4-176.8-67.3177.53.9112.5G119 L120 N121 W127G119-R123 WeakPolarHBondContact O-CG 3.33Å; G119-R123 PolarHBondContact O-N 2.94Å; G119-R123 PolarHBondContact O-NE 3.21Å; G119-R123 VanDerWaalsContact O-NE 3.15Å; L120-R123 PolarHBondContact O-N 2.83Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.25Å; R123-W127 VanDerWaalsContact O-CB 3.3Å; R123-W127 WeakPolarHBondContact O-CB 3.41Å; R123-W127 PolarHBondContact O-N 2.89Å
124Y97.7Very high96.7Very high133 Ų133109.5 Ų109.552%0.52251%0.512SS..Hα-helixtrans-66.7-44.4174.8-179.6-100.4000111.7L120 N121 W127 K128L120-Y124 PolarHBondContact O-N 3.32Å; N121-Y124 WeakPolarHBondContact O-CB 3.25Å; N121-Y124 PolarHBondContact O-N 3.5Å; N121-Y124 VanDerWaalsContact O-N 3.14Å; Y124-W127 HydrophobicContact CD2-CE3 4.21Å; Y124-W127 HydrophobicContact CE2-CE3 4.06Å; Y124-W127 AromaticContact CE2-CZ3 3.98Å; Y124-W127 HydrophobicContact CE2-CZ3 3.98Å; Y124-W127 PolarHBondContact O-N 3.14Å; Y124-K128 WeakPolarHBondContact O-CB 3.27Å; Y124-K128 PolarHBondContact O-N 3.3Å
125E97.3Very high96.5Very high78 Ų78108 Ų10836%0.36451%0.511SS..Hα-helixtrans-63.8-42.9174.5-67.5-59.8155.100111.8N121 W127 K128 E129N121-E125 PolarHBondContact O-N 2.81Å; E125-W127 VanDerWaalsContact C-N 3.34Å; E125-W127 PolarHBondContact O-N 2.95Å; E125-K128 WeakPolarHBondContact O-CB 3.48Å; E125-K128 PolarHBondContact O-N 3.24Å; E125-K128 VanDerWaalsContact O-N 3.15Å; E125-E129 PolarHBondContact O-N 3.01Å
126L97.4Very high96.3Very high119 Ų119105.1 Ų105.162%0.62350%0.503SS*.Hα-helixtrans-62-41.9176.2-161.779.7000112C122 K128 E129 D130C122-L126 WeakPolarHBondContact O-CB 3.05Å; C122-L126 PolarHBondContact O-N 3.47Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 2.87Å; L126-E129 PolarHBondContact O-N 2.9Å; L126-D130 WeakPolarHBondContact O-CB 3.46Å; L126-D130 PolarHBondContact O-N 3.49Å
127W98.3Very high95.9Very high139 Ų139102 Ų10253%0.52750%0.497SS..Hα-helixtrans-63-39.6174.5173.276.5000111.7R123 Y124 E125 D130 Q131R123-W127 VanDerWaalsContact O-CB 3.3Å; R123-W127 WeakPolarHBondContact O-CB 3.41Å; R123-W127 PolarHBondContact O-N 2.89Å; Y124-W127 HydrophobicContact CD2-CE3 4.21Å; Y124-W127 HydrophobicContact CE2-CE3 4.06Å; Y124-W127 AromaticContact CE2-CZ3 3.98Å; Y124-W127 HydrophobicContact CE2-CZ3 3.98Å; Y124-W127 PolarHBondContact O-N 3.14Å; E125-W127 VanDerWaalsContact C-N 3.34Å; E125-W127 PolarHBondContact O-N 2.95Å; W127-D130 PolarHBondContact O-N 3.2Å; W127-Q131 HydrophobicContact CD2-CG 4.16Å; W127-Q131 HydrophobicContact CH2-CG 4.23Å; W127-Q131 HydrophobicContact CZ2-CG 3.74Å; W127-Q131 WeakPolarHBondContact O-CG 3.35Å; W127-Q131 PolarHBondContact O-N 2.88Å
128K97.4Very high95.6Very high90 Ų90102.3 Ų102.339%0.39150%0.498SS..Hα-helixtrans-65.7-41.9177-176.4-176.6173.8-168.50112Y124 E125 L126 Q131 Q132Y124-K128 WeakPolarHBondContact O-CB 3.27Å; Y124-K128 PolarHBondContact O-N 3.3Å; E125-K128 WeakPolarHBondContact O-CB 3.48Å; E125-K128 PolarHBondContact O-N 3.24Å; E125-K128 VanDerWaalsContact O-N 3.15Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 2.87Å; K128-Q131 PolarHBondContact O-N 3.36Å; K128-Q132 WeakPolarHBondContact O-CG 3.25Å; K128-Q132 PolarHBondContact O-N 2.86Å; K128-Q132 VanDerWaalsContact O-N 3.08Å
129E96.9Very high95.1Very high95 Ų95102.8 Ų102.844%0.44450%0.5SS..Hα-helixtrans-63-41.1172.8-73.2-178.5-179.600111.8E125 L126 Q132 R133E125-E129 PolarHBondContact O-N 3.01Å; L126-E129 PolarHBondContact O-N 2.9Å; E129-Q132 WeakPolarHBondContact O-CB 3.39Å; E129-Q132 PolarHBondContact O-N 3.47Å; E129-R133 WeakPolarHBondContact O-CG 3.26Å; E129-R133 PolarHBondContact O-N 3.48Å
130D97.4Very high94.6Very high87 Ų87108.7 Ų108.747%0.46552%0.517SS..Hα-helixtrans-62.3-45.2176.2-172.260.6000111.6L126 W127 Q132 R133 S134L126-D130 WeakPolarHBondContact O-CB 3.46Å; L126-D130 PolarHBondContact O-N 3.49Å; W127-D130 PolarHBondContact O-N 3.2Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 3.2Å; D130-R133 PolarHBondContact O-N 3.27Å; D130-R133 VanDerWaalsContact O-N 3.11Å; D130-S134 PolarHBondContact O-N 3.43Å; D130-S134 PolarHBondContact O-OG 3.31Å
131Q95.6Very high93.9Very high96 Ų96110.5 Ų110.545%0.44953%0.527SS..Hα-helixtrans-59.1-38.8173.3-69.6-60-69.300112.6W127 K128 A135W127-Q131 HydrophobicContact CD2-CG 4.16Å; W127-Q131 HydrophobicContact CH2-CG 4.23Å; W127-Q131 HydrophobicContact CZ2-CG 3.74Å; W127-Q131 WeakPolarHBondContact O-CG 3.35Å; W127-Q131 PolarHBondContact O-N 2.88Å; K128-Q131 PolarHBondContact O-N 3.36Å; Q131-A135 WeakPolarHBondContact O-CB 3.29Å; Q131-A135 PolarHBondContact O-N 3.34Å
132Q96Very high92.8Very high114 Ų114112.9 Ų112.953%0.53354%0.539SS..Hα-helixtrans-67.4-39.8175.2-72.6177.3-11.300112.1K128 E129 D130 A135 L136K128-Q132 WeakPolarHBondContact O-CG 3.25Å; K128-Q132 PolarHBondContact O-N 2.86Å; K128-Q132 VanDerWaalsContact O-N 3.08Å; E129-Q132 WeakPolarHBondContact O-CB 3.39Å; E129-Q132 PolarHBondContact O-N 3.47Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 3.2Å; Q132-A135 PolarHBondContact O-N 3.11Å; Q132-L136 WeakPolarHBondContact O-CG 3.36Å; Q132-L136 PolarHBondContact O-N 3.38Å
133R94.7Very high91.4Very high172 Ų172115.8 Ų115.865%0.64954%0.544SS*.Hα-helixtrans-65.6-42.4175.2-73.5179.6-180-168.81.4111.7E129 D130 L136 M137E129-R133 WeakPolarHBondContact O-CG 3.26Å; E129-R133 PolarHBondContact O-N 3.48Å; D130-R133 PolarHBondContact O-N 3.27Å; D130-R133 VanDerWaalsContact O-N 3.11Å; R133-L136 PolarHBondContact O-N 2.97Å; R133-M137 WeakPolarHBondContact O-CG 3.31Å; R133-M137 PolarHBondContact O-N 3.31Å
134S94Very high89.8Confident47 Ų47112.7 Ų112.733%0.32955%0.545SS..Hα-helixtrans-61-45174.6-59.30000111.5D130 L136 M137 E138D130-S134 PolarHBondContact O-N 3.43Å; D130-S134 PolarHBondContact O-OG 3.31Å; S134-L136 VanDerWaalsContact C-N 3.34Å; S134-L136 PolarHBondContact O-N 3Å; S134-M137 PolarHBondContact O-N 3.13Å; S134-M137 VanDerWaalsContact O-N 3.14Å; S134-E138 WeakPolarHBondContact O-CG 3.46Å; S134-E138 PolarHBondContact O-N 3.21Å
135A93.4Very high87.8Confident54 Ų54114.1 Ų114.145%0.44655%0.554SS.*Hα-helixtrans-60.4-41.2176.800000112.6Q131 Q132 E138 E139Q131-A135 WeakPolarHBondContact O-CB 3.29Å; Q131-A135 PolarHBondContact O-N 3.34Å; Q132-A135 PolarHBondContact O-N 3.11Å; A135-E138 PolarHBondContact O-N 3.48Å; A135-E139 PolarHBondContact O-N 3.07Å
136L92.6Very high86Confident98 Ų98116 Ų11651%0.51357%0.571SS.*Hα-helixtrans-67.5-33.4175.2-73.9172.5000113Q132 R133 S134 K140Q132-L136 WeakPolarHBondContact O-CG 3.36Å; Q132-L136 PolarHBondContact O-N 3.38Å; R133-L136 PolarHBondContact O-N 2.97Å; S134-L136 VanDerWaalsContact C-N 3.34Å; S134-L136 PolarHBondContact O-N 3Å; L136-K140 WeakPolarHBondContact O-CG 3.3Å; L136-K140 PolarHBondContact O-N 3.36Å; L136-K140 VanDerWaalsContact O-N 3.07Å
137M88.6Confident84.2Confident111 Ų111116.3 Ų116.355%0.54757%0.569SS.*Hα-helixtrans-72.3-39.2175.4-73-66.2-68.700111.6R133 S134 K140 L141R133-M137 WeakPolarHBondContact O-CG 3.31Å; R133-M137 PolarHBondContact O-N 3.31Å; S134-M137 PolarHBondContact O-N 3.13Å; S134-M137 VanDerWaalsContact O-N 3.14Å; M137-K140 PolarHBondContact O-N 2.92Å; M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.39Å
138E89.6Confident82.4Confident132 Ų132116.7 Ų116.762%0.61758%0.576SS**Hα-helixtrans-62.9-40.7172.9-73.5-178.2-178.100111.5S134 A135 L141 L142S134-E138 WeakPolarHBondContact O-CG 3.46Å; S134-E138 PolarHBondContact O-N 3.21Å; A135-E138 PolarHBondContact O-N 3.48Å; E138-L141 PolarHBondContact O-N 3.43Å; E138-L142 WeakPolarHBondContact O-CB 3.37Å; E138-L142 PolarHBondContact O-N 3.31Å
139E85.9Confident80.4Confident125 Ų125117.9 Ų117.958%0.58459%0.587SS**Hα-helixtrans-63.6-41.1174.3-170.5179-17800112.2A135 L141 L142 H143A135-E139 PolarHBondContact O-N 3.07Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 2.92Å; E139-L142 PolarHBondContact O-N 3.35Å; E139-H143 PolarHBondContact O-N 2.88Å
140K86.6Confident78.6Confident154 Ų154120.6 Ų120.667%0.6760%0.6SS**Hα-helixtrans-65.5-33.3174.4-76.8177.8-178.8-178.50113.1L136 M137L136-K140 WeakPolarHBondContact O-CG 3.3Å; L136-K140 PolarHBondContact O-N 3.36Å; L136-K140 VanDerWaalsContact O-N 3.07Å; M137-K140 PolarHBondContact O-N 2.92Å
141L81.2Confident76.9Confident132 Ų132121.4 Ų121.469%0.69161%0.613SS**Hα-helixtrans-77.7-30.4176.2-72.7168.7000112.4M137 E138 E139 H143M137-L141 WeakPolarHBondContact O-CG 3.35Å; M137-L141 PolarHBondContact O-N 3.39Å; E138-L141 PolarHBondContact O-N 3.43Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 2.92Å; L141-H143 VanDerWaalsContact C-N 3.25Å; L141-H143 PolarHBondContact O-N 3.2Å
142L75Confident75Confident146 Ų146123.9 Ų123.976%0.76463%0.628SS**Hα-helixtrans-75.6-12175.6-114.979.1000113.9E138 E139 P144E138-L142 WeakPolarHBondContact O-CB 3.37Å; E138-L142 PolarHBondContact O-N 3.31Å; E139-L142 PolarHBondContact O-N 3.35Å; L142-P144 WeakPolarHBondContact O-CD 3.47Å
143H65.9Low73.1Confident147 Ų147127.7 Ų127.768%0.68164%0.643SS**SBendtrans-97.275160.6-93.6-69.4000109.5E139 L141 F145E139-H143 PolarHBondContact O-N 2.88Å; L141-H143 VanDerWaalsContact C-N 3.25Å; L141-H143 PolarHBondContact O-N 3.2Å; H143-F145 PolarHBondContact O-N 3.48Å
144P63.9Low71.3Confident98 Ų98127.3 Ų127.364%0.63665%0.648SS**  trans-61.5112.2165.427.7-29.8000105.5L142 V146L142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-V146 VanDerWaalsContact C-N 3.29Å; P144-V146 PolarHBondContact O-N 3.17Å
145F55.7Low69.5Low163 Ų163133 Ų13372%0.71568%0.675SS**  trans181.3154.5-143.6-131.9000111.9H143 E147H143-F145 PolarHBondContact O-N 3.48Å; F145-E147 HydrophobicContact CD1-CB 3.9Å; F145-E147 VanDerWaalsContact CD1-CD 3.45Å; F145-E147 HydrophobicContact CD1-CG 3.47Å; F145-E147 VanDerWaalsContact CD1-CG 3.47Å; F145-E147 HydrophobicContact CE1-CB 4.18Å; F145-E147 HydrophobicContact CE1-CG 3.27Å; F145-E147 WeakPolarHBondContact CE1-OE1 3.3Å; F145-E147 VanDerWaalsContact CE1-OE2 3.24Å; F145-E147 WeakPolarHBondContact CE1-OE2 3.41Å; F145-E147 HydrophobicContact CE2-CG 4.34Å; F145-E147 HydrophobicContact CG-CG 4.18Å; F145-E147 HydrophobicContact CZ-CG 3.69Å; F145-E147 WeakPolarHBondContact CZ-OE1 3.45Å; F145-E147 PolarHBondContact O-N 2.85Å
146V59.5Low67.7Low117 Ų117139.1 Ų139.171%0.70970%0.699SS**  trans-7475.2154.5-175.10000102.2P144 E148P144-V146 VanDerWaalsContact C-N 3.29Å; P144-V146 PolarHBondContact O-N 3.17Å; V146-E148 HydrophobicContact CG1-CG 4.08Å; V146-E148 PolarHBondContact O-N 2.92Å
147E59.9Low65.7Low126 Ų126140 Ų14059%0.58971%0.713SS**  trans-60.591.2151.7-105.8-179.5174.400103.8F145 D149F145-E147 HydrophobicContact CD1-CB 3.9Å; F145-E147 VanDerWaalsContact CD1-CD 3.45Å; F145-E147 HydrophobicContact CD1-CG 3.47Å; F145-E147 VanDerWaalsContact CD1-CG 3.47Å; F145-E147 HydrophobicContact CE1-CB 4.18Å; F145-E147 HydrophobicContact CE1-CG 3.27Å; F145-E147 WeakPolarHBondContact CE1-OE1 3.3Å; F145-E147 VanDerWaalsContact CE1-OE2 3.24Å; F145-E147 WeakPolarHBondContact CE1-OE2 3.41Å; F145-E147 HydrophobicContact CE2-CG 4.34Å; F145-E147 HydrophobicContact CG-CG 4.18Å; F145-E147 HydrophobicContact CZ-CG 3.69Å; F145-E147 WeakPolarHBondContact CZ-OE1 3.45Å; F145-E147 PolarHBondContact O-N 2.85Å; E147-D149 PolarHBondContact O-N 3.24Å
148E60.3Low64.2Low146 Ų146142.2 Ų142.268%0.68273%0.727SS**  trans-50.190.8157.5-93.9174-174.100106.2V146 E150V146-E148 HydrophobicContact CG1-CG 4.08Å; V146-E148 PolarHBondContact O-N 2.92Å; E148-E150 HydrophobicContact CB-CG 4.13Å; E148-E150 PolarHBondContact O-N 3.02Å
149D55.5Low62.8Low116 Ų116140.7 Ų140.762%0.6273%0.731SS**  trans-62.660.8162.4-94.4-23.9000108.5E147 S151E147-D149 PolarHBondContact O-N 3.24Å; D149-S151 PolarHBondContact O-N 3.43Å
150E60.5Low61.3Low151 Ų151145 Ų14571%0.70675%0.748SS**THydrogen-bonded Turntrans-76.61170.1-72.5-148.1152.800111.7E148E148-E150 HydrophobicContact CB-CG 4.13Å; E148-E150 PolarHBondContact O-N 3.02Å
151S59.9Low59.6Low105 Ų105142.2 Ų142.273%0.73475%0.748SS**THydrogen-bonded Turntrans-87.2-2.5-179.371.90000115.4D149D149-S151 PolarHBondContact O-N 3.43Å
152L56Low58.7Low147 Ų147144.5 Ų144.577%0.7776%0.756SS**SBendtrans-116.68.4-174.1-116.8146.5000116
153K57.4Low58.2Low194 Ų194143.8 Ų143.884%0.84375%0.753SS**SBendtrans-104.7-1.3179.4-82.3-179.6-179.71700116.6
154H56Low57.7Low164 Ų164142.7 Ų142.776%0.75975%0.752SS**SBendtrans-109.487.4173.3-79.4-76.1000110
155N55.3Low57.4Low168 Ų168143.7 Ų143.790%0.89876%0.756SS**SBendtrans-176.313.8159.3-92-30.4000116.8
156L56.7Low57.5Low181 Ų181141.9 Ų141.995%0.94875%0.754SS**SBendtrans-128.429.8-175.4-94.7163.5000115.4
157S51.1Low57.4Low116 Ų116143.3 Ų143.381%0.81176%0.758SS**  trans-131.771173.263.60000110.4
158D57.3Low56.9Low158 Ų158140.5 Ų140.585%0.84576%0.762SS**  trans-153134.4163.2-135.9-10.8000110
159S58.6Low56.2Low100 Ų100142.7 Ų142.770%0.69977%0.773SS**  trans80.191.9178.4-45.70000117
160F54.2Low55.8Low215 Ų215145.6 Ų145.694%0.94378%0.782SS**  -176.897.8117.8-106.5-81.1000108.7
161S52.7Low55.4Low96 Ų96142.7 Ų142.767%0.67178%0.777SS**  trans-93.6164.8170.453.20000110.9
162E61.9Low54.8Low180 Ų180144.4 Ų144.484%0.84178%0.777SS**  trans81.4129.5166.9-58.3176165.600114.2
163D63.6Low54.4Low132 Ų132144 Ų14471%0.70677%0.771SS**  cis-169.9165.810.5-152.2-7.2000109.1
164D56.8Low53.9Low123 Ų123141.3 Ų141.366%0.65877%0.766SS**  trans81.396.1153-63.6-40.8000122.4
165T57.5Low53.1Low119 Ų119138 Ų13873%0.7376%0.761SS**  34.3141.8119.321.50000120.2
166D57.7Low52.3Low126 Ų126135.8 Ų135.867%0.67475%0.754SS**  cis-173.4155.340.6-150.1-2.7000112.6
167D56.6Low51.8Low146 Ų146133.7 Ų133.778%0.78175%0.748SS**  trans66.8118.7148.2-75.4-31000125.2
168G49.5Very low51.5Low67 Ų67132.5 Ų132.569%0.69175%0.746SS**  140.577.3119.700000122
169Q45.6Very low50.6Low192 Ų192134.4 Ų134.490%0.89775%0.749SS**  trans71.696.1139.4-62.7179.3-93.200123.5
170E47Very low50.1Low177 Ų177135.2 Ų135.283%0.82776%0.755SS**  19.5166.9105.9-68.4-80150.500121.5
171P52.2Low49.6Very low90 Ų90133.6 Ų133.658%0.58475%0.748SS**  cis-144.1-168.6-1331.8-7.5000116.2
172L46.3Very low49.5Very low142 Ų142135 Ų13574%0.74376%0.755SS**  trans87.4133.3155.4-63.3162.3000116.7
173E49.1Very low48.5Very low138 Ų138132.7 Ų132.765%0.64575%0.747SS**  cis-175.8150.327.1-115.9168.6-138.700112.5
174N45.2Very low47.2Very low138 Ų138133.3 Ų133.374%0.73875%0.75SS**  trans71.3143.8137.1-63.8-15.1000120.9
175S40Very low46.4Very low94 Ų94135.2 Ų135.266%0.65776%0.76SS**  cis-172.7135.96.7-166.40000111.1
176T39.2Very low45.8Very low121 Ų121132.9 Ų132.974%0.74275%0.748SS**  trans34.8139137.165.50000124.1
177V45.3Very low44.8Very low137 Ų137135 Ų13583%0.8376%0.76SS**  168.899.5123.6166.60000107.5
178A44.9Very low44.1Very low91 Ų91134.6 Ų134.675%0.75276%0.757SS**  84.1109.189.400000115.2
179E38.7Very low43.6Very low198 Ų198139.7 Ų139.793%0.92576%0.762SS**  trans-62.4145.9168.4-64176.9134.500112.5
180S47.1Very low43.8Very low117 Ų117137.4 Ų137.482%0.81876%0.755SS**  trans-145.4119.2157.7370000111.5
181K44.4Very low43.8Very low181 Ų181135.5 Ų135.579%0.78775%0.75SS**  trans-65.2159.2166.9-67.3170.9175.1174.90111.3L183K181-L183 HydrophobicContact CB-CG 4.45Å
182P50.8Low43.4Very low126 Ų126136.9 Ų136.982%0.81876%0.759SS**  trans-128104.9132.932.5-19.5000108.6
183L40.4Very low43.5Very low131 Ų131133.3 Ų133.369%0.68676%0.757SS**  35.9102.974.9-65-176.5000115.6K181K181-L183 HydrophobicContact CB-CG 4.45Å
184L37.5Very low43.3Very low146 Ų146134.7 Ų134.776%0.76477%0.769SS**  50.1110.8125.8-89.6145.4000118.7
185N39.3Very low43.4Very low162 Ų162135.2 Ų135.287%0.86677%0.771SS**  trans-127.486.3144.5-98.9-8.5000106.5
186S44.6Very low43.9Very low70 Ų70139.1 Ų139.149%0.4978%0.783SS.*  63.389.988.774.70000113.3L188S186-L188 PolarHBondContact O-N 3.06Å
187N36.6Very low44.4Very low170 Ų170141.8 Ų141.891%0.90979%0.787SS**  trans-47.9115150.2-72.8-46.8000109.1
188L43Very low44.2Very low139 Ų139140 Ų14073%0.72878%0.781SS**  trans-101.2100165.9-12392.2000109S186 I190S186-L188 PolarHBondContact O-N 3.06Å; L188-I190 HydrophobicContact CD2-CD1 4.05Å; L188-I190 HydrophobicContact CD2-CG1 4.11Å
189H38.5Very low44.5Very low173 Ų173143.7 Ų143.780%0.80178%0.78SS**  trans-65.9121.1157.2-172.756.5000107.9
190I48.9Very low44.7Very low144 Ų144143.3 Ų143.374%0.73878%0.778SS**  trans-122.7125.1165.7-62179.6000107.6L188L188-I190 HydrophobicContact CD2-CD1 4.05Å; L188-I190 HydrophobicContact CD2-CG1 4.11Å
191D46.8Very low45.1Very low137 Ų137143.8 Ų143.873%0.73378%0.779SS**  trans-51.6153.6-179.1-112.4-32.5000114.7
192P44.6Very low45Very low119 Ų119140.4 Ų140.477%0.77378%0.778SS**  trans-91.6151.5178.337-28.5000111.9
193G47.7Very low44.8Very low67 Ų67140.1 Ų140.169%0.69177%0.774SS**  trans143.398.6165.800000113.1
194D45.7Very low45.2Very low168 Ų168141.7 Ų141.790%0.89878%0.783SS**  -174125.9116.7-95.2-18.9000110
195D47.7Very low45.5Very low148 Ų148141.4 Ų141.479%0.79178%0.782SS**  trans-56.2147.9176.9-60.1-62.9000112.7
196I50.6Low45.8Very low177 Ų177141.6 Ų141.691%0.90878%0.783SS**  trans-162.7131.5134.5-88.5138.8000110
197E49.4Very low45.7Very low176 Ų176141.8 Ų141.882%0.82279%0.789SS**  trans-56.8136-173.8-77.6169.612300118.6
198S41.3Very low46.2Very low101 Ų101139 Ų13971%0.70678%0.783SS**  57.9137.5127.477.70000122.6
199K50.3Low46.5Very low168 Ų168141.3 Ų141.373%0.7379%0.79SS**  146.6110.9107.9-158.5166.8-172.21760112.7E12E12-K199 IonicContact OE1-NZ 3.73Å
200E43.5Very low46.3Very low190 Ų190140.4 Ų140.489%0.88879%0.791SS**  trans-81.7151.3166.3-63.9-172.4159.100111.7
201P55.3Low46.6Very low127 Ų127139.6 Ų139.683%0.82580%0.795SS**  trans-116.9134.2165.235.4-23.4000114.2
202S42.4Very low46.3Very low110 Ų110142.8 Ų142.877%0.76980%0.802SS**  trans-81.9142.2170560000113.6
203V46.5Very low46.5Very low120 Ų120142.1 Ų142.173%0.72781%0.807SS**  trans19.7132139.6-1640000119.5
204D48.3Very low46.1Very low164 Ų164146.1 Ų146.188%0.87781%0.813SS**  trans-163.9132.5134.2-94.6-26.7000114.4
205N45.4Very low46.1Very low140 Ų140146.9 Ų146.975%0.74981%0.811SS**  trans-91.7147.9168.7-79.6-56.9000110.2
206N43.8Very low45.7Very low165 Ų165148.2 Ų148.288%0.88281%0.812SS**  trans175.8154.2151.9-86.4-38.5000108.2
207A44.2Very low45.2Very low75 Ų75146.5 Ų146.562%0.6280%0.803SS**  cis178.9150.1-19.300000106.1
208S46.8Very low44.5Very low112 Ų112143.3 Ų143.378%0.78380%0.796SS**  trans70.6145.5154.879.80000117.6
209E48.2Very low44.2Very low186 Ų186150.2 Ų150.287%0.86981%0.807SS**  cis-151.4157.429.2-71.9177.5132.800112.1
210N35.4Very low43.9Very low154 Ų154146.4 Ų146.482%0.82481%0.806SS**  trans-83.9159.4173.4-105.5-52.8000111
211P54.2Low43.9Very low128 Ų128144.1 Ų144.183%0.83181%0.805SS**  -153.5161.389.236.5-15.1000118.3
212K40.1Very low43.9Very low204 Ų204145.9 Ų145.989%0.88780%0.803SS**  trans-57.1146176.5-66.7164170.8171.50115.6
213A48.7Very low44Very low105 Ų105148 Ų14887%0.86881%0.805SS**  trans-163.7134.9136.400000112.5
214N41Very low44.2Very low151 Ų151150.4 Ų150.481%0.80781%0.814SS**  trans-75.4149.7178.9-77.3-33.4000113.9
215Q44Very low44Very low184 Ų184147.1 Ų147.186%0.8680%0.804SS**  trans164.1105.8133.4-90.3161.184.700108
216Q40Very low44.4Very low176 Ų176147.6 Ų147.682%0.82281%0.807SS**  67.5135.685.9-143-17912.100114.2
217I39.5Very low45Very low141 Ų141147.7 Ų147.772%0.72381%0.807SS**  trans93.186.9163.4-51.8170.4000113.9
218T34.6Very low45.2Very low109 Ų109152.2 Ų152.267%0.66982%0.815SS**  87.8129.98462.70000117.2
219W36.4Very low45.7Very low245 Ų245152.2 Ų152.293%0.92882%0.815SS**  trans62.8107.5160.8-51.4100.7000120.4
220A42.8Very low45.8Very low88 Ų88150.9 Ų150.973%0.72781%0.809SS**  trans-163.9143.6138.800000109.9
221V44.4Very low46.6Very low142 Ų142149.3 Ų149.386%0.86181%0.805SS**  trans-100.3109.6170.91680000106
222E54.2Low46.1Very low165 Ų165147.3 Ų147.377%0.77179%0.794SS**  trans-149.3109.5171.2-63.4-176.4158.200104.1
223N46.3Very low46.4Very low154 Ų154147 Ų14782%0.82479%0.793SS**  42.590.886.2-76.2-4.2000113.3
224D48.9Very low46.1Very low171 Ų171147.8 Ų147.891%0.91478%0.782SS**  trans-103.698157.6-79.9-30.7000108.1
225S45.9Very low46.1Very low95 Ų95149.7 Ų149.766%0.66478%0.784SS**  trans-83.5145.1149.951.30000108.5
226D53.7Low46Very low150 Ų150146.4 Ų146.480%0.80278%0.776SS**  trans151.4101157.5-76.9-14.7000104.4
227D55.8Low46.1Very low166 Ų166143.4 Ų143.489%0.88877%0.772SS**  -146.1124.969.9-73.7-45.2000111.7
228Q49Very low46.4Very low170 Ų170147.4 Ų147.479%0.79478%0.778SS**  trans-88.7116.8161.1-66.3-163.49.800109.1
229S57.2Low46.9Very low112 Ų112148 Ų14878%0.78378%0.782SS**  trans-95.693.5155.962.30000108.3V231S229-V231 PolarHBondContact O-N 3.36Å
230E50.6Low47.2Very low158 Ų158142.8 Ų142.874%0.73878%0.776SS**  trans-66.3115.1167.7-63.1-175.7164.500109.5
231V51.4Low47.4Very low122 Ų122145.1 Ų145.174%0.73978%0.782SS**  trans-100.891.5158-172.90000106.7S229 F233S229-V231 PolarHBondContact O-N 3.36Å; V231-F233 HydrophobicContact CG1-CD2 4.18Å; V231-F233 HydrophobicContact CG1-CE2 4.32Å; V231-F233 PolarHBondContact O-N 2.98Å
232S42.9Very low47.3Very low86 Ų86143.4 Ų143.460%0.60178%0.776SS**  trans-73108172.2-158.10000109.2N234S232-N234 PolarHBondContact OG-ND2 2.81Å; S232-N234 VanDerWaalsContact OG-ND2 3.13Å
233F47.6Very low47.2Very low198 Ų198140.2 Ų140.287%0.86877%0.772SS**  trans-95.797.2158.3-98.8-88.5000107.6V231V231-F233 HydrophobicContact CG1-CD2 4.18Å; V231-F233 HydrophobicContact CG1-CE2 4.32Å; V231-F233 PolarHBondContact O-N 2.98Å
234N42.8Very low47.5Very low120 Ų120139.9 Ų139.964%0.64277%0.77SS**  trans-129.2153.3171.1-84-49.1000109.4S232S232-N234 PolarHBondContact OG-ND2 2.81Å; S232-N234 VanDerWaalsContact OG-ND2 3.13Å
235F39.2Very low48.1Very low191 Ų191140 Ų14084%0.83877%0.771SS**  trans82116.8180-63.5-88.1000113.6
236V41.7Very low48.6Very low115 Ų115142.5 Ų142.570%0.69778%0.777SS**  -154.2137.150.3171.60000110.9R238V236-R238 HydrophobicContact CG1-CB 4.36Å; V236-R238 HydrophobicContact CG1-CG 4.07Å
237P42.4Very low49Very low114 Ų114143.7 Ų143.774%0.7478%0.783SS**  trans-102.6124.8151.632.1-21.2000110.3
238R45.5Very low48.8Very low224 Ų224143.1 Ų143.185%0.84578%0.78SS**  trans-132.497164.6-90.8-175.1161.4173.8-4.4107.3V236V236-R238 HydrophobicContact CG1-CB 4.36Å; V236-R238 HydrophobicContact CG1-CG 4.07Å
239T45.6Very low49Very low123 Ų123140.4 Ų140.476%0.75578%0.78SS**  60.311496.463.30000114.7
240V43.4Very low48.6Very low134 Ų134141.7 Ų141.781%0.81278%0.778SS**  trans-54.5134.1170-169.20000112.2
241V47.1Very low48.5Very low138 Ų138140.1 Ų140.184%0.83678%0.783SS**  trans-143.9126.6153.3175.60000108.4
242S42.7Very low48.1Very low105 Ų105141.5 Ų141.573%0.73479%0.786SS**  trans-93.6143.2172-47.20000110.4
243S51.2Low48.1Very low99 Ų99142.2 Ų142.269%0.69280%0.797SS**  trans168.4108.9149.454.90000107.4
244D52.2Low47.8Very low147 Ų147140.7 Ų140.779%0.78680%0.797SS**  63.7112.992.5-77-12.9000112.5
245D62.3Low48Very low174 Ų174140.5 Ų140.593%0.9380%0.803SS**  trans-169.9106142.2-87.2-30000108.4
246D55.7Low48.2Very low147 Ų147136.6 Ų136.679%0.78680%0.798SS**  trans-70146165.9-62.8-64.9000110.3
247D61.7Low48.4Very low174 Ų174136.8 Ų136.893%0.9380%0.802SS**  trans-164.5114.6143.3-97.5-30.8000111.4
248D52Low48.1Very low154 Ų154136.8 Ų136.882%0.82480%0.799SS**  trans-71.7174.1172.4-79.9-50.9000113.2
249S54.3Low47.8Very low114 Ų114133.1 Ų133.180%0.79780%0.796SS**  trans102.1100.3160.673.60000116.2
250N47.4Very low47.4Very low139 Ų139133.3 Ų133.374%0.74379%0.792SS**  65.2102.374.5-17321.9000114.7
251C48.9Very low47.3Very low125 Ų125132.4 Ų132.485%0.84579%0.787SS**  trans-159.8114.9141.7470000112.3
252N44.2Very low46.7Very low151 Ų151133.1 Ų133.181%0.80779%0.786SS**  trans-52.1147.2162.1-67.1-51.4000113
253A42.7Very low46.5Very low101 Ų101132.7 Ų132.784%0.83578%0.783SS**  172.5125.4121.700000112.4
254L40.6Very low45.7Very low165 Ų165134.9 Ų134.986%0.86479%0.792SS**  trans-54.7-178.4162.4-67.1163.9000112.4
255P47.3Very low44.8Very low117 Ų117131.9 Ų131.976%0.7679%0.788SS**  cis-144.5171.613.934.6-10.8000118.2
256C42.8Very low43.5Very low108 Ų108129.5 Ų129.573%0.7378%0.78SS**  trans-67.9172166.4-51.90000114.1
257P47.2Very low42.5Very low120 Ų120127.3 Ų127.378%0.77978%0.776SS**  -127123.4129.334-22.3000109.7
258T36.1Very low41.2Very low113 Ų113122.8 Ų122.869%0.69376%0.763SS**  66.9132.164.1-23.10000115.9
259L39.1Very low40.6Very low147 Ų147121.8 Ų121.877%0.7776%0.763SS**  trans90.6131.5159.3-49.2176.3000115.2
260N35.6Very low40.4Very low127 Ų127121.8 Ų121.868%0.67976%0.76SS**  cis-161.6133.69-101.2-9.8000107.1
261V41.8Very low39.8Very low116 Ų116120.1 Ų120.170%0.70377%0.766SS**  29.6125.798.7-109.60000114.4
262D35.8Very low39.4Very low152 Ų152124.7 Ų124.781%0.81377%0.767SS**  -162.6164.455.9-96.6-44.7000114.3
263S36.6Very low39Very low97 Ų97124.3 Ų124.368%0.67876%0.764SS**  trans-69.5157-177.3-53.60000114.9
264T34.8Very low38.8Very low144 Ų144122.5 Ų122.588%0.88375%0.746SS**  166.6148.2105.639.60000112.7
265A34.1Very low38.8Very low85 Ų85123.1 Ų123.170%0.70274%0.744SS**  trans-59.7169.2174.300000112.6
266T34.3Very low38.5Very low124 Ų124120.9 Ų120.976%0.76174%0.735SS**  cis-175.114243.2-23.80000109.2
267S35Very low38.6Very low100 Ų100124.1 Ų124.170%0.69974%0.74SS**  trans48.3124.7140.367.70000124.4
268A33.6Very low38.5Very low80 Ų80123.4 Ų123.466%0.66173%0.734SS**  72.9102.2123.400000118.4
269T41.4Very low39Very low132 Ų132125.8 Ų125.881%0.8174%0.737SS**  68.2161.892.155.70000115.2
270P49.9Very low39.2Very low115 Ų115125.8 Ų125.875%0.74774%0.737SS**  cis-135-178.1-20.625.4-2.1000112.3
271A34.6Very low39.5Very low104 Ų104125.1 Ų125.186%0.8674%0.742SS**  trans-159.6135.5142.800000112.1
272Y39.5Very low39.6Very low221 Ų221125.2 Ų125.287%0.86774%0.743SS**  trans-64.8177.6-176.8-107.8-110.4000116.2
273D35.2Very low40.3Very low142 Ų142123.8 Ų123.876%0.75975%0.745SS**  trans99.4131.7154.9-87.1-1.7000116.7
274S39.7Very low40.7Very low64 Ų64126.5 Ų126.545%0.44875%0.751SS.*  cis175.1167.1-9.138.30000105.7
275H40.4Very low41Very low177 Ų177126.4 Ų126.482%0.81975%0.745SS**  trans75.1141.2162.9-54.2-62.9000116.2
276A40.3Very low41.6Very low70 Ų70131.4 Ų131.458%0.57975%0.751SS**  cis-178.8152.81.100000106.9
277E45.5Very low41.9Very low176 Ų176130 Ų13082%0.82275%0.752SS**  trans67.8145.8140.2-68.2177.4-155.900117.7
278T45.7Very low42.4Very low106 Ų106134.4 Ų134.465%0.6576%0.759SS**  cis-177.6151.96.821.90000103.4
279E45.2Very low42.8Very low163 Ų163136.2 Ų136.276%0.76276%0.763SS**  169.7120.289.6-81.2-165170.500107.6
280L44.4Very low42.7Very low147 Ų147134 Ų13477%0.7775%0.753SS**  86122.497.6-69169.3000117.2
281S41.3Very low42.5Very low113 Ų113135 Ų13579%0.7975%0.753SS**  173.199.8110.6-172.50000111.4
282V44.3Very low42.8Very low118 Ų118137.6 Ų137.672%0.71575%0.751SS**  60.896.1102.2-170.60000115.9
283S51.3Low42.8Very low122 Ų122132.4 Ų132.485%0.85375%0.747SS**  -172.266.8129.4-75.80000110.9
284D43.4Very low43.4Very low154 Ų154131.1 Ų131.182%0.82475%0.749SS**  trans-61.7141.5145-84.3-44.1000108.8
285L42Very low43.3Very low141 Ų141135.6 Ų135.674%0.73877%0.768SS**  trans178.1129.9130.6-98.7141.8000110.6
286F46.4Very low43.5Very low190 Ų190135.5 Ų135.583%0.83377%0.773SS**  trans89.9118.5166.7-48.9-70.8000117.5
287A40.2Very low43.5Very low95 Ų95136.6 Ų136.679%0.78578%0.781SS**  cis-179.3136.2-20.100000107.1
288K46.7Very low43.4Very low193 Ų193135.6 Ų135.684%0.83978%0.781SS**  trans-77.7177.5167.6-65.3177.4169.5172.30111.5
289P42.2Very low43.4Very low117 Ų117135.2 Ų135.276%0.7679%0.789SS**  -137.313079.821.11.2000113.1
290S38.6Very low43.5Very low86 Ų86135 Ų13560%0.60179%0.793SS**  48.9116.896.964.50000115.9
291D45.4Very low43.6Very low137 Ų137134.6 Ų134.673%0.73379%0.791SS**  179.3118.4114.3-81.1-13.9000113.1
292L41.8Very low43.7Very low158 Ų158138 Ų13883%0.82779%0.792SS**  trans58.3127132.9-63.5156000122.3
293S38Very low43.9Very low111 Ų111142.5 Ų142.578%0.77680%0.802SS**  trans87.391.8135.3-175.10000119.2
294S47.6Very low43.5Very low115 Ų115144.2 Ų144.280%0.80480%0.801SS**  173.382.9122.657.10000111.3
295D38.5Very low43.6Very low158 Ų158144.9 Ų144.985%0.84581%0.805SS**  trans-73.8155.6151.9-85.4-33.1000109.3
296L44.1Very low43.7Very low176 Ų176143.3 Ų143.392%0.92181%0.806SS**  trans79.464.5167.3-60.5153.6000117.5
297A40.4Very low43.7Very low92 Ų92144 Ų14476%0.7681%0.809SS**  trans-161.296.5152.900000110.1
298L44.5Very low44.3Very low155 Ų155149 Ų14981%0.81282%0.816SS**SBendtrans-175.53.6152.4-100160.6000114.9L301L298-L301 HydrophobicContact CD2-CD1 4.46Å
299A44.6Very low44.2Very low99 Ų99148.5 Ų148.582%0.81882%0.816SS**SBendtrans-92.47.1-177.900000116.7
300N47Very low44.3Very low159 Ų159146.2 Ų146.285%0.8582%0.815SS**  trans-123.734.6-172.6-75.5-14.1000115.3
301L46.7Very low44.7Very low137 Ų137150.2 Ų150.272%0.71783%0.829SS**  trans-103.616.4-175.4-106.5147.7000115.7L298L298-L301 HydrophobicContact CD2-CD1 4.46Å
302F44.4Very low44.5Very low186 Ų186148.6 Ų148.682%0.81683%0.828SS**SBendtrans-135.2129.5170.9-76.1-88.1000109.9
303F48.6Very low44.4Very low212 Ų212150.8 Ų150.893%0.9383%0.832SS**  trans88.378.1-179.8-53.4-76.1000117.4
304D42.2Very low44.3Very low157 Ų157150.3 Ų150.384%0.8483%0.828SS**  trans-150.598.2150.2-155.54.5000110.1
305D46.1Very low44Very low168 Ų168148.8 Ų148.890%0.89882%0.823SS**  trans-160.676.8170-127.34.4000109.6
306S44.3Very low43.8Very low109 Ų109148.6 Ų148.676%0.76282%0.822SS**  trans179.297.4144.164.40000112.2
307K46.1Very low43.5Very low204 Ų204146.6 Ų146.689%0.88782%0.816SS**  trans-141.3112.9149.9-76-167.1-179.4179.60109.2
308Q51.6Low43.4Very low200 Ų200146.9 Ų146.994%0.93581%0.813SS**  trans-131114.3156.6-151.9177.120.300107.7
309E45Very low43.3Very low182 Ų182143.2 Ų143.285%0.8581%0.812SS**  trans-80.1154.3177.9-66.5-175.6158.200111.8
310G44.9Very low43.1Very low70 Ų70147.7 Ų147.772%0.72281%0.809SS**  trans82.5102.7145.200000116.7
311D47.6Very low42.8Very low170 Ų170146.9 Ų146.991%0.90981%0.805SS**  -174.9146.681.3-116-24.4000112.3
312S40Very low42.3Very low102 Ų102151.2 Ų151.271%0.71381%0.812SS**  trans-70.4143.2-178.2-61.20000111.6
313F41Very low42.2Very low205 Ų205145.7 Ų145.790%0.89980%0.801SS**  trans-164.1121.4131.6-116.4-82.8000111.6
314S36Very low41.9Very low101 Ų101142.9 Ų142.971%0.70679%0.79SS**  trans-65147.2174.250.80000113.9
315A39.9Very low41.9Very low83 Ų83142.3 Ų142.369%0.68679%0.786SS**  144.4118.1115.400000114.3
316N34.4Very low41.7Very low154 Ų154138.4 Ų138.482%0.82477%0.772SS**  trans64.2149.2130.8-73.3-15.4000123.7
317V38.8Very low41.5Very low134 Ų134143.5 Ų143.581%0.81278%0.775SS**  trans99.289.7157-170.10000113.4
318S38.2Very low41.2Very low98 Ų98140.9 Ų140.969%0.68577%0.771SS**  78.9118.180.1164.40000114.2
319G41.7Very low40.7Very low77 Ų77135.3 Ų135.379%0.79476%0.758SS**  trans-168.466.5172.300000113.8
320Y40.7Very low40.5Very low193 Ų193134.7 Ų134.776%0.75776%0.756SS**  trans3.3122.9157.5-84.1-100000121.9
321N41.3Very low40.3Very low142 Ų142138 Ų13876%0.75976%0.756SS**  42.7134.8125.9-65.6-26.6000121.6
322R36Very low39.7Very low228 Ų228134.5 Ų134.586%0.8675%0.745SS**  175.7117.1102.3-173.8169.6-151.51725.4115.2
323A41.3Very low39.4Very low71 Ų71134.5 Ų134.559%0.58775%0.745SS**  trans46.7142.4137.300000121.5
324H42.9Very low39.1Very low152 Ų152131.1 Ų131.170%0.70474%0.741SS**  -163.4135.953.2-90.2-93.9000114.1
325L41.7Very low39.4Very low145 Ų145135 Ų13576%0.75975%0.748SS**  trans47.1145.5131.1-80.2102.2000121.5
326S42Very low39.3Very low87 Ų87138.2 Ų138.261%0.60875%0.754SS**  cis173.1151.7-2.748.70000105.2
327R40.8Very low39.5Very low215 Ų215134.6 Ų134.681%0.81175%0.753SS**  171.5115.468.7-167.4168.2-172.3151.81.4107.3
328N40.1Very low39.3Very low150 Ų150133.2 Ų133.280%0.80275%0.749SS**  62.8140.6102.8-50.9-2.5000114.5
329A40.5Very low39.2Very low82 Ų82135.8 Ų135.868%0.67875%0.754SS**  cis-168.1139.42100000107.6
330E39.8Very low39.2Very low170 Ų170137.5 Ų137.579%0.79475%0.754SS**  67.6127.485.4-91.2-177.6-152.900112.6
331L41Very low39.2Very low139 Ų139134 Ų13473%0.72876%0.755SS**  cis-173.7156.635.5-90.1148.4000112.9
332S36Very low39.2Very low96 Ų96136.7 Ų136.767%0.67176%0.76SS**  trans43.3125.6141.764.30000121.2
333S33.4Very low39.4Very low102 Ų102134 Ų13471%0.71376%0.757SS**  74.9130.558.499.40000117.5
334T33.8Very low39.4Very low135 Ų135140.9 Ų140.983%0.82877%0.774SS**  trans82115.4164.769.70000119.4
335H42Very low39Very low182 Ų182137.5 Ų137.584%0.84377%0.768SS**  176.8137.3113.2-162.5-81.2000111.7
336D37.9Very low39.1Very low151 Ų151139.2 Ų139.281%0.80777%0.771SS**  trans-59.8161.4174.2-68.5-54.2000115.1
337G39.5Very low39.3Very low78 Ų78143.9 Ų143.980%0.80478%0.781SS**  trans162.9102.6161.200000114.9
338S34.8Very low39.6Very low105 Ų105142.1 Ų142.173%0.73478%0.781SS**  trans-56.1156.9175.550.70000115.9
339L37Very low39.8Very low152 Ų152143.4 Ų143.480%0.79678%0.783SS**  148.898.3124.9-74.7175000114.1
340S40.1Very low39.9Very low112 Ų112147.7 Ų147.778%0.78379%0.794SS**  65.3155.8127.485.70000122.7
341P41.1Very low39.9Very low121 Ų121146.9 Ų146.979%0.78679%0.794SS**  trans-110.7167-146.141.1-32.2000114.5
342K41.9Very low39.8Very low198 Ų198146.3 Ų146.386%0.86179%0.791SS**  trans-153.1102.2159.3-124.4167.5-176.5170.10113.2
343E39.9Very low39.9Very low170 Ų170151.4 Ų151.479%0.79480%0.802SS**  trans11.5129.3137.6-58.2177.3156.700118.1
344F40.7Very low39.9Very low217 Ų217158.1 Ų158.195%0.95281%0.812SS**  -151.6123.3126.8-100.6-76.3000110.2
345S35Very low40.4Very low81 Ų81158.5 Ų158.557%0.56681%0.807SS**  trans-81.3155.1179.460.20000113.2
346H43.7Very low40.3Very low180 Ų180154.7 Ų154.783%0.83380%0.798SS**  trans17995.7138.5-90.3-70.8000105.4
347K46.2Very low40.2Very low186 Ų186156.4 Ų156.481%0.80980%0.802SS**  49.3107.876.1-66.4-167-177.7-176.20114.7
348E46.9Very low40.1Very low177 Ų177159.3 Ų159.383%0.82780%0.798SS**  trans-179.7106.3135.9-95.5164.1-152.700106.9
349E45.1Very low40.3Very low177 Ų177162 Ų16283%0.82780%0.799SS**  64.2109.399.6-68.3-178.2-176.900111.3
350L41.8Very low40.4Very low173 Ų173162.4 Ų162.491%0.90680%0.801SS**  -160.1137.176.3-79.5166.9000112.4
351L40.8Very low40.2Very low152 Ų152163.2 Ų163.280%0.79681%0.807SS**  trans-84.6163.1177.8-97.1147.3000112.4
352N39Very low40.3Very low127 Ų127162.8 Ų162.868%0.67980%0.802SS**  trans79.6113.2151.6-60.6-21.6000118.1
353F37.1Very low39.8Very low203 Ų203156.8 Ų156.889%0.8980%0.796SS**  -160.5100.6108.7-100.8-74.6000110.1
354R33.4Very low39.9Very low244 Ų244156.8 Ų156.892%0.92180%0.801SS**  trans-133.695.1161.8-176.1-177.4-149177.27.6107.4
355I44.7Very low39.7Very low143 Ų143152.8 Ų152.873%0.73379%0.789SS**  trans-157.2159.3164.9-25174.7000107.5
356P39.4Very low40Very low102 Ų102154.8 Ų154.866%0.66280%0.802SS**  -125.8161.3-82.438.3-23.1000112.8D358P356-D358 PolarHBondContact O-N 3.46Å
357Q36Very low39.6Very low187 Ų187152.5 Ų152.587%0.87480%0.796SS**  trans-70.9115.5160.5-84-171.6-24.900108.4
358D37.9Very low39.4Very low138 Ų138149.5 Ų149.574%0.73879%0.793SS**  trans178.5162.8144.2-87-24.1000107.8P356P356-D358 PolarHBondContact O-N 3.46Å
359H39.3Very low39.2Very low163 Ų163149.6 Ų149.676%0.75579%0.794SS**  trans61.493173.968.1-84.6000118
360L38.8Very low39Very low159 Ų159146.3 Ų146.383%0.83279%0.79SS**  trans-164.376.2138.6-99.6167000109.8V362L360-V362 HydrophobicContact CD2-CG2 3.59Å
361S34.8Very low38.9Very low129 Ų129146.5 Ų146.590%0.90279%0.791SS**  trans-79.1105.8154.4-60.20000107.6
362V42.9Very low39Very low112 Ų112143.8 Ų143.868%0.67979%0.785SS**  trans-126.4106.3167.1175.30000107.2L360L360-V362 HydrophobicContact CD2-CG2 3.59Å
363G32.5Very low39.3Very low72 Ų72146.2 Ų146.274%0.74280%0.797SS**  trans-69.9138.617600000111.7
364L41.6Very low39.7Very low170 Ų170144 Ų14489%0.8979%0.79SS**  trans-122.9120.6156.6-74.8174.4000108.5
365N37.1Very low40Very low134 Ų134139.5 Ų139.572%0.71778%0.784SS**  trans-80.6127.1-179.7178.79.8000109.2N367N365-N367 PolarHBondContact OD1-OD1 3.06Å
366C39.9Very low40Very low123 Ų123143 Ų14383%0.83179%0.794SS**  trans-147.4104157.951.90000110.1
367N35.5Very low40.1Very low131 Ų131144.3 Ų144.370%0.70180%0.804SS**  trans-62.5140.5165.6-54-42.8000110.2N365N365-N367 PolarHBondContact OD1-OD1 3.06Å
368T43.4Very low40.3Very low124 Ų124141.7 Ų141.776%0.76181%0.806SS**  -176.4116.313040.10000110.8
369E42.7Very low40.2Very low179 Ų179138.4 Ų138.484%0.83681%0.806SS**  trans76.987.4140.3-57.5-179.2-163.300118.9
370S39.8Very low40.4Very low108 Ų108139.8 Ų139.876%0.75581%0.812SS**  trans-38.5128.5147.748.30000114.7
371L40.1Very low40.7Very low176 Ų176141.6 Ų141.692%0.92181%0.814SS**  trans-130.296.2144-72.7177.4000107.9L373L371-L373 PolarHBondContact O-N 3.32Å
372S42.9Very low41.8Very low96 Ų96141.4 Ų141.467%0.67181%0.81SS**  trans-61.4117.9173.340.80000110.5E374S372-E374 PolarHBondContact O-N 3.42Å; S372-E374 VanDerWaalsContact O-N 3.08Å
373L45Very low41.7Very low178 Ų178143.3 Ų143.393%0.93282%0.816SS**  trans-82.858.8174.1-160.584.6000109.9L371L371-L373 PolarHBondContact O-N 3.32Å
374E45Very low42.5Very low157 Ų157145.2 Ų145.273%0.73482%0.818SS**  trans-130.187.3176.8-75.3169.1161.700106.9S372S372-E374 PolarHBondContact O-N 3.42Å; S372-E374 VanDerWaalsContact O-N 3.08Å
375N41.7Very low42.5Very low149 Ų149140.1 Ų140.180%0.79781%0.807SS**  trans173.858.2161-91.6-12.9000112.4
376F44.3Very low42.8Very low216 Ų216140.9 Ų140.995%0.94781%0.811SS**  trans-151.656.7160.6-77.6-67.9000111.9
377C40.8Very low43Very low130 Ų130142.9 Ų142.988%0.87881%0.808SS**  trans-138.274.3163.7-90.10000108.8
378S39.8Very low43.5Very low131 Ų131143 Ų14392%0.91681%0.813SS**  trans-170.6129.8165.2-78.90000110.4
379G36.6Very low43.6Very low70 Ų70142.9 Ų142.972%0.72281%0.814SS**  trans141.666.8179.200000110.3
380E43.6Very low43.6Very low192 Ų192138 Ų13890%0.89781%0.812SS**  73.996.386.4-156.6167.9-159.400111.9
381F44.7Very low43.6Very low196 Ų196138 Ų13886%0.8681%0.812SS**  trans-81.4139.6172.6-78.2-93.5000109.9D383F381-D383 PolarHBondContact O-N 3.14Å
382P57.3Low43.8Very low126 Ų126134.6 Ų134.682%0.81880%0.803SS**  trans-75.1111.416729.3-28.7000109.9
383D41.7Very low43.8Very low151 Ų151140.7 Ų140.781%0.80781%0.811SS**  trans-63.2126.1157.8178.318.9000110.1F381F381-D383 PolarHBondContact O-N 3.14Å
384S48.8Very low43.8Very low113 Ų113136.8 Ų136.879%0.7980%0.799SS**  trans-158.299151.655.70000108.4
385G41.5Very low43.5Very low63 Ų63138.9 Ų138.965%0.64981%0.806SS**  trans-74.9-166175.500000115.7
386D44.4Very low43.6Very low150 Ų150137.9 Ų137.980%0.80281%0.81SS**  trans110.5111159.3-80.7-3.3000119.6
387Q43.1Very low43.3Very low165 Ų165139.5 Ų139.577%0.77181%0.81SS**  trans101.381.1139.5-65.3-175.774.500120.8
388V47.1Very low43.3Very low134 Ų134138.8 Ų138.881%0.81281%0.807SS**  47.8148.395.7-166.20000116.8
389P45.1Very low43Very low121 Ų121137.6 Ų137.679%0.78680%0.798SS**  -142.3-178.2-57.243.8-24.5000113.3
390G41.5Very low43.2Very low77 Ų77142 Ų14279%0.79481%0.805SS**  trans111.9148.7154.200000114.7
391S40.5Very low42.7Very low106 Ų106138.8 Ų138.874%0.74180%0.798SS**  cis-175.3146.5-0.6172.90000106.8
392S43.9Very low42.6Very low105 Ų105138.5 Ų138.573%0.73480%0.797SS**  trans74.8148.4153.6-61.60000119.1
393R44Very low41.9Very low225 Ų225139.1 Ų139.185%0.84979%0.793SS**  cis176.5151.3-20.6-151.6174.3178.8-169.5-0.8105.4
394S44Very low41.6Very low96 Ų96143.7 Ų143.767%0.67180%0.799SS**  trans88.1108.1152.8-42.60000117.1
395K40Very low41.3Very low201 Ų201146.9 Ų146.987%0.87481%0.807SS**  65.7116.484.7-73.7179.7176.8179.30113.8
396S42.5Very low41.1Very low128 Ų128146.7 Ų146.790%0.89580%0.804SS**  -169.9123.4127.6-80.70000112.3
397R37.6Very low41.1Very low249 Ų249145.6 Ų145.694%0.9480%0.803SS**  trans-76.3143.9159.7-73.7161.470.2168.81.7108
398S41.1Very low41.1Very low116 Ų116145 Ų14581%0.81181%0.805SS**  trans-138.6106.3159.458.70000110.5
399S34.1Very low40.8Very low106 Ų106142.7 Ų142.774%0.74181%0.808SS**  trans-78.9138.7157.457.20000109.2
400L41Very low40.7Very low163 Ų163140.7 Ų140.785%0.85381%0.81SS**  trans-126.5108.6163.5-76.3173.4000109.5
401T32.7Very low41.1Very low124 Ų124145.7 Ų145.776%0.76182%0.815SS**  trans-87138.6156.246.40000108.3
402F43.2Very low41.6Very low189 Ų189145.8 Ų145.883%0.82981%0.813SS**  trans-138.3101.4164.8-127.8-87.1000111.2
403D41.5Very low41.6Very low139 Ų139146 Ų14674%0.74382%0.815SS**  trans39.8126.6137.3-64.3-27.1000124.7
404R34.8Very low41.8Very low247 Ų247140.4 Ų140.493%0.93281%0.807SS**  trans-68.3142.5159.8-92.3171.2156.1177.5-5.2113.4
405L43.2Very low41.6Very low181 Ų181143.5 Ų143.595%0.94882%0.815SS**  trans-141.9129.9144.5-87.6154.2000104.3
406G38.5Very low41.4Very low58 Ų58136.4 Ų136.460%0.59880%0.798SS**  cis12513120.700000108
407T43.5Very low41.6Very low127 Ų127141.3 Ų141.378%0.77980%0.799SS**  trans84.513716970.50000118.4
408D42.6Very low41.5Very low153 Ų153134.9 Ų134.982%0.81879%0.792SS**  cis-168.8144.6-11.9-95-25.3000109.1
409G41.2Very low41.6Very low85 Ų85139 Ų13988%0.87680%0.796SS**  trans87.4114.8137.900000121.7
410G43.6Very low42.2Very low79 Ų79144 Ų14481%0.81480%0.804SS**  trans135.172.314000000119.7
411M49.7Very low42.5Very low183 Ų183145 Ų14590%0.90181%0.806SS**  trans4.3160145.1-78.1-60.8179.700123.2
412P51.6Low42.9Very low107 Ų107150.3 Ų150.370%0.69581%0.814SS**  -131.3-166.9-124.641.9-23.4000115.3
413S43.7Very low42.8Very low111 Ų111152.7 Ų152.778%0.77682%0.818SS**  trans104.3157.2149.8-118.40000117.3
414P48Very low42.6Very low106 Ų106149.5 Ų149.569%0.68882%0.817SS**  -129.5171.5-91.135.8-18.4000112.1
415I39.9Very low43.2Very low162 Ų162145.4 Ų145.483%0.83181%0.813SS**  trans163.3127.7145.7-88.8149.7000110.4
416G35.2Very low43.3Very low52 Ų52142.9 Ų142.954%0.53681%0.805SS.*  trans107.9107.8135.500000118.6
417Y46.1Very low43.8Very low230 Ų230146.1 Ų146.190%0.90281%0.808SS**  trans95.5127142.1-43.7-70.8000118.9
418S35.6Very low44.1Very low114 Ų114146.3 Ų146.380%0.79780%0.804SS**  trans-84.1138.6-16548.40000114.2
419K43.6Very low44.7Very low204 Ų204146.5 Ų146.589%0.88781%0.805SS**  trans-145.8110.7151.3-153.9168.8-175.9177.60108.7M421K419-M421 PolarHBondContact O-N 2.77Å
420K46.4Very low45.4Very low210 Ų210150.2 Ų150.291%0.91381%0.805SS**  trans-70.1109.7178.3-70.6177.9178.7177.50108.6
421M47.2Very low45.8Very low184 Ų184148.9 Ų148.991%0.90678%0.783SS**PPolyproline II helixtrans-86.8137.8161.2-85-169.7150.600109.4K419 R423K419-M421 PolarHBondContact O-N 2.77Å; M421-R423 PolarHBondContact O-N 3.11Å
422Y41.1Very low46.5Very low235 Ų235143.9 Ų143.992%0.92277%0.77SS**PPolyproline II helixtrans-55.8124.1171.8-87.6-102.3000110.2G424Y422-G424 PolarHBondContact O-N 2.85Å
423R41.7Very low47Very low240 Ų240144.1 Ų144.191%0.90677%0.766SS**PPolyproline II helixtrans-73.5116.7160-100.9-170.9-178.3-122.43.5107.2M421 L425M421-R423 PolarHBondContact O-N 3.11Å; R423-L425 PolarHBondContact O-N 3.1Å
424G37.4Very low47.8Very low71 Ų71142.4 Ų142.473%0.73275%0.748SS**PPolyproline II helixtrans-60.8129.5166.900000110.1Y422Y422-G424 PolarHBondContact O-N 2.85Å
425L47.2Very low48.5Very low162 Ų162143.3 Ų143.385%0.84875%0.747SS**  trans-79.9112.4163.5-67.9172000106.6R423 L427R423-L425 PolarHBondContact O-N 3.1Å; L425-L427 PolarHBondContact O-N 3.36Å
426V46.6Very low49.6Very low127 Ų127142.7 Ų142.777%0.7774%0.74SS**  trans-73.5114162.2176.30000105.1
427L47.8Very low50.8Low126 Ų126146.7 Ų146.766%0.6675%0.749SS**  trans-84.4114.7172.6-71.5166.9000107.6L425L425-L427 PolarHBondContact O-N 3.36Å
428D50.7Low51.5Low131 Ų131141.8 Ų141.870%0.70174%0.737SS**  trans-81.4128167.7-72.4-32.7000108.3D430D428-D430 VanDerWaalsContact C-N 3.27Å; D428-D430 PolarHBondContact O-N 2.94Å
429N54.1Low52.7Low157 Ų157141.9 Ų141.984%0.8474%0.736SS**THydrogen-bonded Turntrans-75.818.5-162.6-95.5-21.2000117
430D55.8Low53.4Low163 Ų163137 Ų13787%0.87273%0.728SS**THydrogen-bonded Turntrans-120.510.6-165.9-66.8-26.7000115.6D428D428-D430 VanDerWaalsContact C-N 3.27Å; D428-D430 PolarHBondContact O-N 2.94Å
431S51.7Low53.9Low52 Ų52129.8 Ų129.836%0.36471%0.708SS.*  trans-111110.7-178.4177.90000112D433 D434S431-D433 PolarHBondContact O-N 2.97Å; S431-D433 VanDerWaalsContact O-N 3.15Å; S431-D433 PolarHBondContact OG-N 3.19Å; S431-D434 PolarHBondContact O-N 2.99Å
432A64.6Low54.1Low77 Ų77126.7 Ų126.764%0.63670%0.702SS**G310 helixtrans-63.4-13173.400000113.3D434A432-D434 VanDerWaalsContact C-N 3.34Å
433D61.8Low54.4Low113 Ų113124.1 Ų124.160%0.60470%0.696SS**G310 helixtrans-81-15.3-175.5-55.8-23.8000112.5S431 L435S431-D433 PolarHBondContact O-N 2.97Å; S431-D433 VanDerWaalsContact O-N 3.15Å; S431-D433 PolarHBondContact OG-N 3.19Å; D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3.26Å
434D61.4Low54.4Low75 Ų75120.7 Ų120.740%0.40169%0.693SS.*G310 helixtrans-77.7-14.6179-72-18.2000112.9S431 A432S431-D434 PolarHBondContact O-N 2.99Å; A432-D434 VanDerWaalsContact C-N 3.34Å
435L62.2Low54.7Low125 Ų125122.7 Ų122.765%0.65470%0.696SS**THydrogen-bonded Turntrans-76.5-29.3174.7-91.3140000112.8D433 L438D433-L435 VanDerWaalsContact C-N 3.29Å; D433-L435 PolarHBondContact O-N 3.26Å; L435-L438 PolarHBondContact O-N 2.89Å
436E62.9Low54.6Low149 Ų149120.4 Ų120.470%0.69669%0.694SS**G310 helixtrans-76.1-25.8-179.7-65.2-168.5165.400112.7L438 C439 S440E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 3.39Å; E436-C439 PolarHBondContact O-N 3.15Å; E436-S440 PolarHBondContact O-OG 3.43Å
437L61.4Low54.6Low136 Ų136119.2 Ų119.271%0.71269%0.691SS**G310 helixtrans-71-22.1174.2-92116.4000113.6
438L60.6Low54.3Low127 Ų127118.9 Ų118.967%0.66570%0.697SS**G310 helixtrans-81.1-18.3179.6-69.6170.4000113.3L435 E436L435-L438 PolarHBondContact O-N 2.89Å; E436-L438 VanDerWaalsContact C-N 3.31Å; E436-L438 PolarHBondContact O-N 3.39Å
439C60.7Low54.4Low115 Ų115120.9 Ų120.978%0.77770%0.704SS**SBendtrans-93.7-6.1-178.1-70.20000114.5E436E436-C439 PolarHBondContact O-N 3.15Å
440S58.6Low53.6Low101 Ų101118.7 Ų118.771%0.70670%0.698SS**  trans-111.88.6-166.9-55.90000115.7E436E436-S440 PolarHBondContact O-OG 3.43Å
441A55.8Low52.9Low60 Ų60116.2 Ų116.250%0.49669%0.693SS.*  trans-88134.2-178.100000113
442P52.8Low52.6Low119 Ų119123.1 Ų123.177%0.77372%0.717SS**  trans-72.2138.1-171.330.2-34.2000111.9I444P442-I444 PolarHBondContact O-N 3.49Å
443F46.2Very low51.5Low181 Ų181126 Ų12679%0.79473%0.726SS**  trans-72.3111.6176.5-67.5-82.8000110.6S445F443-S445 PolarHBondContact O-N 3.4Å; F443-S445 VanDerWaalsContact O-N 3.08Å
444I43Very low50.6Low167 Ų167126.2 Ų126.286%0.85673%0.734SS**  trans-67.7101.9172.5-60.1168.1000108.4P442P442-I444 PolarHBondContact O-N 3.49Å
445S43.6Very low49.8Very low114 Ų114126.6 Ų126.680%0.79774%0.742SS**  trans-74130.8166.177.90000109.9F443F443-S445 PolarHBondContact O-N 3.4Å; F443-S445 VanDerWaalsContact O-N 3.08Å
446S44Very low48.7Very low113 Ų113125.7 Ų125.779%0.7975%0.746SS**  trans-86.1125.9-176.250.80000113.3
447S46.9Very low47.8Very low103 Ų103128.5 Ų128.572%0.7275%0.752SS**  trans80.2118.7154-1670000120.9
448P40.7Very low46.9Very low119 Ų119129.2 Ų129.277%0.77375%0.751SS**  trans-106.6145.8160.436-24.8000112.4
449M53.2Low46.3Very low173 Ų173131.1 Ų131.185%0.85276%0.762SS**  trans-101.3145.9162.9-82.9-72.6153.500110.2
450P38Very low46Very low110 Ų110131.6 Ų131.671%0.71476%0.756SS**  trans-91.6137.3-166.335.1-31.3000111.7
451S41.4Very low45.5Very low111 Ų111133.1 Ų133.178%0.77676%0.756SS**  171.9139.2120.654.10000113.7
452K45.5Very low45.2Very low198 Ų198136.1 Ų136.186%0.86177%0.768SS**  trans72.392.7155.9-76.3172.7175.5175.40119
453V40Very low45Very low136 Ų136139 Ų13982%0.82478%0.776SS**  trans-57.8139.2149.7-170.50000108.8
454P42.6Very low45.2Very low118 Ų118136.1 Ų136.177%0.76677%0.769SS**  -142.3144.496.134.5-17000115.8
455S44.5Very low45.5Very low84 Ų84135.6 Ų135.659%0.58776%0.763SS**  trans74.397.9134.5-171.40000120.1Y457S455-Y457 WeakPolarHBondContact O-CD2 3.39Å; S455-Y457 WeakPolarHBondContact O-CE2 3.5Å
456S39.1Very low45.7Very low105 Ų105138.4 Ų138.473%0.73477%0.769SS**  45.295.5128.4173.60000118.9
457Y44.3Very low46Very low208 Ų208136.5 Ų136.582%0.81676%0.76SS**  trans-147.4108.6152.3-65.7-77.1000107.8S455S455-Y457 WeakPolarHBondContact O-CD2 3.39Å; S455-Y457 WeakPolarHBondContact O-CE2 3.5Å
458H42.7Very low46Very low151 Ų151142 Ų14270%0.69977%0.765SS**  60.8112.9102-143.6-52.2000114.2D460H458-D460 VanDerWaalsContact C-N 3.26Å; H458-D460 IonicContact CE1-OD2 2.97Å; H458-D460 PolarHBondContact CE1-OD2 3.42Å; H458-D460 IonicContact ND1-OD2 3.03Å; H458-D460 PolarHBondContact ND1-OD2 3.45Å; H458-D460 PolarHBondContact O-N 2.89Å
459L48.4Very low46.4Very low168 Ų168143.7 Ų143.788%0.8877%0.768SS**THydrogen-bonded Turntrans-82.939.3-166.5-161.585.3000113.5
460D54.6Low45.7Very low124 Ų124139 Ų13966%0.66376%0.764SS**THydrogen-bonded Turntrans-126.22.9-177.6-69.7-56.5000114.9H458H458-D460 VanDerWaalsContact C-N 3.26Å; H458-D460 IonicContact CE1-OD2 2.97Å; H458-D460 PolarHBondContact CE1-OD2 3.42Å; H458-D460 IonicContact ND1-OD2 3.03Å; H458-D460 PolarHBondContact ND1-OD2 3.45Å; H458-D460 PolarHBondContact O-N 2.89Å
461D47.3Very low46Very low133 Ų133144 Ų14471%0.71177%0.77SS**  trans-108.513.7-172.3-75.3-25.7000115.4
462V50.8Low46.5Very low123 Ų123144.2 Ų144.275%0.74577%0.769SS**SBendtrans-101.113.1-172.6-169.70000113.8
463L47.4Very low46.4Very low179 Ų179139.1 Ų139.194%0.93776%0.764SS**SBendtrans-117.129.7177.9-69.1179.2000114.5
464D51.9Low46.6Very low121 Ų121138.3 Ų138.365%0.64776%0.764SS**  trans-146.122.8177.4-157.321.6000115.3N466 A467D464-N466 PolarHBondContact O-N 2.92Å; D464-A467 WeakPolarHBondContact OD1-CB 3.44Å
465E49.5Very low46.8Very low157 Ų157139 Ų13973%0.73477%0.766SS**THydrogen-bonded Turntrans-89.41.8-173.5-153149.3-160.400114.7
466N47.8Very low46.8Very low172 Ų172141.1 Ų141.192%0.9278%0.776SS**THydrogen-bonded Turntrans-105.77.1170.1-78.423.3000114D464D464-N466 PolarHBondContact O-N 2.92Å
467A50.2Low46.9Very low73 Ų73145.4 Ų145.460%0.60379%0.789SS**SBendtrans-99.312.7177.700000114D464D464-A467 WeakPolarHBondContact OD1-CB 3.44Å
468R45.9Very low46.7Very low220 Ų220137.6 Ų137.683%0.8377%0.772SS**  trans-110.718.5-168.9-129.5179.3-177.4163.34116G470R468-G470 PolarHBondContact O-N 3.46Å; R468-G470 VanDerWaalsContact O-N 3.11Å
469D49.9Very low46.9Very low154 Ų154138.1 Ų138.182%0.82478%0.78SS**  trans-76.196.4163.4-86.6-13.8000109.3Y471D469-Y471 PolarHBondContact O-N 2.89Å
470G38.6Very low46.6Very low75 Ų75136.6 Ų136.677%0.77378%0.778SS**  trans-59.1102.8-177.400000113.1R468R468-G470 PolarHBondContact O-N 3.46Å; R468-G470 VanDerWaalsContact O-N 3.11Å
471Y43.1Very low45.7Very low215 Ų215135.4 Ų135.484%0.84379%0.785SS**PPolyproline II helixtrans-99.9127.6153.1-84.4-91.9000109D469 A473D469-Y471 PolarHBondContact O-N 2.89Å; Y471-A473 PolarHBondContact O-N 2.88Å
472P53.4Low46.1Very low115 Ų115138 Ų13875%0.74779%0.79SS**PPolyproline II helixtrans-66.1130.917927.7-32.2000109.2S474P472-S474 PolarHBondContact O-N 3.3Å; P472-S474 VanDerWaalsContact O-N 3.11Å
473A42.4Very low46.1Very low91 Ų91141.2 Ų141.275%0.75279%0.794SS**PPolyproline II helixtrans-47.1119.9173.200000110Y471 T475Y471-A473 PolarHBondContact O-N 2.88Å; A473-T475 PolarHBondContact O-N 2.9Å
474S45.3Very low45.9Very low119 Ų119140.3 Ų140.383%0.83279%0.79SS**  trans-50102.4168.2-55.60000108.1P472 T476P472-S474 PolarHBondContact O-N 3.3Å; P472-S474 VanDerWaalsContact O-N 3.11Å; S474-T476 PolarHBondContact O-N 2.96Å
475T44.8Very low45.6Very low132 Ų132139.7 Ų139.781%0.8179%0.792SS**  trans-63.4119.4167.435.20000106.3A473 L477A473-T475 PolarHBondContact O-N 2.9Å; T475-L477 PolarHBondContact O-N 3.34Å; T475-L477 VanDerWaalsContact O-N 3.12Å
476T45Very low45.7Very low129 Ų129139.6 Ų139.679%0.79180%0.797SS**  trans-42.9117.9173.341.70000110S474 G478S474-T476 PolarHBondContact O-N 2.96Å; T476-G478 PolarHBondContact O-N 3.29Å
477L41.4Very low45.8Very low194 Ų194139.1 Ų139.1100%1.01679%0.793SS**SBendtrans-61.278.8170.6-96.4154.5000109.6T475T475-L477 PolarHBondContact O-N 3.34Å; T475-L477 VanDerWaalsContact O-N 3.12Å
478G40.4Very low45.7Very low44 Ų44146.2 Ų146.245%0.45481%0.811SS.*  trans-164.8102.9174.400000106T476T476-G478 PolarHBondContact O-N 3.29Å
479N46.3Very low45.9Very low162 Ų162143.2 Ų143.287%0.86681%0.812SS**SBendtrans97.858173.6-42.5-38.3000118.5
480V41.9Very low45.7Very low137 Ų137140 Ų14083%0.8381%0.807SS**  trans-152.970135-168.40000110.1K482V480-K482 PolarHBondContact O-N 2.9Å
481A37.5Very low46Very low99 Ų99140.3 Ų140.382%0.81881%0.809SS**  trans-78.491.1155.200000108.2
482K54.1Low46.2Very low186 Ų186139.3 Ų139.381%0.80981%0.812SS**  trans171131.1157.6-102.8157-179.9169.50110.8V480V480-K482 PolarHBondContact O-N 2.9Å
483K51.2Low45.7Very low192 Ų192139.5 Ų139.584%0.83582%0.817SS**SBendtrans88.481.4174.3-67.4179.5165.7178.90116.5
484N44.2Very low45.9Very low159 Ų159142.3 Ų142.385%0.8582%0.819SS**  175.991109.1-83-24.3000109.1
485P45.5Very low45.7Very low108 Ų108142.2 Ų142.270%0.70182%0.818SS**  trans-79.7134.1153.633.8-25.6000107.7
486D50.1Low45.4Very low155 Ų155141 Ų14183%0.82982%0.816SS**  trans145.330.2156.9-74.4-8.2000115.5
487L50.3Low45.8Very low162 Ų162143.5 Ų143.585%0.84882%0.818SS**SBendtrans-145.235.5171.9-140.275.8000116.5
488F48.8Very low45.8Very low222 Ų222140.3 Ų140.397%0.97481%0.812SS**  trans-143.592.5157.5-82.9-83000107.3
489D49Very low45.7Very low157 Ų157146.3 Ų146.384%0.8483%0.834SS**  trans-126.8121.6169.7-166.920.7000110.2
490A46.1Very low45.6Very low87 Ų87142.8 Ų142.872%0.71983%0.827SS**  trans28.8122.515200000120.7
491G46.1Very low45.8Very low81 Ų81144.9 Ų144.984%0.83583%0.828SS**  trans-159.264.2158.500000110.4
492E46.9Very low46.1Very low194 Ų194148.1 Ų148.191%0.90783%0.829SS**  trans-52.7133.1163.8-62.1174.6151.200110.2
493S42.7Very low45.7Very low119 Ų119147.2 Ų147.283%0.83283%0.834SS**  trans-160.8111.7144.6-164.10000110.7
494D46Very low45.3Very low151 Ų151146 Ų14681%0.80784%0.835SS**  trans-37.4138.5156.3-81.8-45.2000113.4
495S42.4Very low45.2Very low116 Ų116145.1 Ų145.181%0.81183%0.829SS**  trans-170.175.9144.2175.90000109.9
496S38Very low45Very low108 Ų108147 Ų14776%0.75583%0.832SS**  trans-87102161.353.60000109.6
497E53.1Low44.5Very low181 Ų181147.6 Ų147.685%0.84684%0.835SS**  trans-149.5143.3163.8-77.8-163.6138.900111.3
498S40.8Very low44Very low127 Ų127146.6 Ų146.689%0.88883%0.83SS**  trans92.452.8175.577.70000118.5
499D39.8Very low43.5Very low170 Ų170139.4 Ų139.491%0.90981%0.812SS**  trans-88.1105.6142-165.817.4000107.1
500A42.7Very low43.1Very low88 Ų88139.3 Ų139.373%0.72781%0.812SS**  trans174.181165.700000111.6
501E47.1Very low42.7Very low181 Ų181142.3 Ų142.385%0.84682%0.816SS**SBendtrans-178.396147.3-106.7172.2-159.300107.6
502I42.7Very low42.3Very low166 Ų166144.3 Ų144.385%0.85181%0.814SS**SBendtrans175.9-8.3150.9-86.8150.3000110.7L504I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 3.37Å
503D45.4Very low41.8Very low168 Ų168140.4 Ų140.490%0.89881%0.808SS**  trans-87.521.5177.8-90.1-3.5000116.2I505D503-I505 PolarHBondContact O-N 3.4Å
504L43.8Very low41.7Very low165 Ų165139.9 Ų139.986%0.86480%0.804SS**  trans-94.121.4-175.2-117.1156.1000115.3I502I502-L504 VanDerWaalsContact C-N 3.34Å; I502-L504 PolarHBondContact O-N 3.37Å
505I42.6Very low41.3Very low142 Ų142144 Ų14473%0.72881%0.809SS**SBendtrans-131.6101.4178.8-55.4-179.6000109.5D503D503-I505 PolarHBondContact O-N 3.4Å
506I39.8Very low41.2Very low147 Ų147146.7 Ų146.775%0.75481%0.808SS**  trans91.654.2163.8-45.1147.2000115
507N40.7Very low41.3Very low167 Ų167152.7 Ų152.789%0.89381%0.814SS**  trans-90.384.7136.9-113.2-22.5000107.2
508N39Very low40.7Very low141 Ų141151.7 Ų151.775%0.75481%0.81SS**  trans-156.7114.3158.1-108.4-13.9000108.5
509A39.3Very low40.9Very low71 Ų71150.9 Ų150.959%0.58780%0.804SS**  trans56109.8136.400000116.1
510D39.2Very low41.3Very low156 Ų156149 Ų14983%0.83479%0.793SS**  57132.8121.7-52.9-34000117.8
511N39.3Very low41.6Very low150 Ų150147.9 Ų147.980%0.80278%0.779SS**  trans93.6112.9141.5-140.4-19.2000115.8S513N511-S513 PolarHBondContact O-N 2.83Å
512P36.4Very low42.1Very low123 Ų123147.6 Ų147.680%0.79978%0.775SS**  trans-83112.2-17832.6-31.1000111.2
513S38Very low42.7Very low111 Ų111143.8 Ų143.878%0.77676%0.763SS**  trans-178.7105.7156.6179.60000112.4N511N511-S513 PolarHBondContact O-N 2.83Å
514S38.5Very low43.2Very low109 Ų109143.1 Ų143.176%0.76275%0.747SS**  trans166.696141.556.40000108.8
515R39.5Very low43.9Very low237 Ų237141.4 Ų141.489%0.89474%0.735SS**  34.9101.192.6-73-173.6179.6-175.31.1114
516Q39.7Very low44.7Very low173 Ų173142.2 Ų142.281%0.80873%0.733SS**  175.6154.7127.1-101179.7-26.900111
517R39.2Very low45.8Very low233 Ų233140.3 Ų140.388%0.87972%0.721SS**  trans87.863-176.7-54.9-174.6179.5-152.61.4113.4
518E41.7Very low46.9Very low160 Ų160136.4 Ų136.475%0.74870%0.7SS**  69.894.179.2-64.1179.8176.900112.5L520E518-L520 PolarHBondContact O-N 3.4Å
519S45.3Very low48.3Very low110 Ų110136.3 Ų136.377%0.76970%0.695SS**  trans-20.9116.8146.952.10000113.2
520L46.9Very low49.6Very low131 Ų131135.2 Ų135.269%0.68668%0.683SS**  trans-53.5126.6164.4-76.8161.4000108.5E518 K522E518-L520 PolarHBondContact O-N 3.4Å; L520-K522 PolarHBondContact O-N 3.49Å
521P49.2Very low50.9Low65 Ų65131.7 Ų131.742%0.42266%0.662SS.*  trans-63.5129.5-179.825.3-32.4000108.4S523 R524P521-S523 PolarHBondContact O-N 2.89Å; P521-R524 HydrophobicContact CG-CB 4.42Å; P521-R524 HydrophobicContact CG-CG 4Å; P521-R524 PolarHBondContact O-N 2.87Å
522K56.9Low52.3Low175 Ų175131.7 Ų131.776%0.76166%0.655SS**Hα-helixtrans-54.5-9.2175.9-74175.7174.7175.80113.8L520L520-K522 PolarHBondContact O-N 3.49Å
523S55.8Low53.8Low85 Ų85131 Ų13159%0.59464%0.644SS**Hα-helixtrans-75-3116961.50000113.6P521 K526 H527P521-S523 PolarHBondContact O-N 2.89Å; S523-K526 PolarHBondContact O-N 2.73Å; S523-H527 PolarHBondContact O-N 3.41Å; S523-H527 VanDerWaalsContact O-N 3.16Å
524R55.5Low55.3Low154 Ų154130.4 Ų130.458%0.58163%0.632SS**Hα-helixtrans-73.5-31.3177.3-78.5-179.581.11734112.8P521 K526 H527 L528P521-R524 HydrophobicContact CG-CB 4.42Å; P521-R524 HydrophobicContact CG-CG 4Å; P521-R524 PolarHBondContact O-N 2.87Å; R524-K526 VanDerWaalsContact C-N 3.29Å; R524-K526 PolarHBondContact O-N 2.86Å; R524-H527 PolarHBondContact O-N 3.23Å; R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 WeakPolarHBondContact O-CD1 3.41Å; R524-L528 VanDerWaalsContact O-CG 3.28Å; R524-L528 WeakPolarHBondContact O-CG 3.42Å; R524-L528 PolarHBondContact O-N 3.16Å
525Q58.5Low56.7Low129 Ų129129.9 Ų129.960%0.60362%0.619SS**Hα-helixtrans-65.5-32.9173.3-85-176-39.900112.5Q529Q525-Q529 WeakPolarHBondContact O-CB 3.35Å; Q525-Q529 WeakPolarHBondContact O-CG 3.31Å; Q525-Q529 PolarHBondContact O-N 2.88Å
526K60.4Low58Low160 Ų160125.1 Ų125.170%0.69661%0.607SS**Hα-helixtrans-74.6-36.6174.6-64.9-172.7-179.4-173.40112.4S523 R524 Q529 S530S523-K526 PolarHBondContact O-N 2.73Å; R524-K526 VanDerWaalsContact C-N 3.29Å; R524-K526 PolarHBondContact O-N 2.86Å; K526-Q529 PolarHBondContact O-N 2.91Å; K526-S530 PolarHBondContact O-N 3.46Å; K526-S530 PolarHBondContact O-OG 3.41Å; K526-S530 VanDerWaalsContact O-OG 3.09Å
527H63Low59.2Low106 Ų106120 Ų12049%0.49159%0.594SS.*Hα-helixtrans-66.7-41.6174.6-161.3-86.2000111.8S523 R524 S530 E531S523-H527 PolarHBondContact O-N 3.41Å; S523-H527 VanDerWaalsContact O-N 3.16Å; R524-H527 PolarHBondContact O-N 3.23Å; H527-S530 WeakPolarHBondContact CA-OG 3.37Å; H527-S530 PolarHBondContact O-N 3.39Å; H527-S530 PolarHBondContact O-OG 3.24Å; H527-E531 IonicContact CE1-OE1 3.54Å; H527-E531 PolarHBondContact CE1-OE1 3.23Å; H527-E531 IonicContact CE1-OE2 3.21Å; H527-E531 IonicContact ND1-OE1 2.9Å; H527-E531 PolarHBondContact ND1-OE1 3.44Å; H527-E531 IonicContact ND1-OE2 3.97Å; H527-E531 PolarHBondContact ND1-OE2 3.36Å; H527-E531 WeakPolarHBondContact O-CB 3.38Å; H527-E531 VanDerWaalsContact O-CG 3.3Å; H527-E531 WeakPolarHBondContact O-CG 3.32Å; H527-E531 PolarHBondContact O-N 2.94Å
528L64.4Low60.2Low85 Ų85116.1 Ų116.145%0.44559%0.586SS.*Hα-helixtrans-64.8-45.5174.5-73.2162.4000110.7R524 S530 E531 F532R524-L528 WeakPolarHBondContact O-CB 3.47Å; R524-L528 WeakPolarHBondContact O-CD1 3.41Å; R524-L528 VanDerWaalsContact O-CG 3.28Å; R524-L528 WeakPolarHBondContact O-CG 3.42Å; R524-L528 PolarHBondContact O-N 3.16Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 2.88Å; L528-E531 PolarHBondContact O-N 3.44Å; L528-F532 WeakPolarHBondContact O-CB 3.42Å; L528-F532 WeakPolarHBondContact O-CD2 3.27Å; L528-F532 PolarHBondContact O-N 3.23Å
529Q66.8Low61.1Low139 Ų139115.7 Ų115.765%0.6559%0.588SS**Hα-helixtrans-63.8-34.9176.6-78.3-174.3-16.200113.3Q525 K526 L533Q525-Q529 WeakPolarHBondContact O-CB 3.35Å; Q525-Q529 WeakPolarHBondContact O-CG 3.31Å; Q525-Q529 PolarHBondContact O-N 2.88Å; K526-Q529 PolarHBondContact O-N 2.91Å; Q529-L533 WeakPolarHBondContact O-CB 3.45Å; Q529-L533 WeakPolarHBondContact O-CD1 3.48Å; Q529-L533 VanDerWaalsContact O-CG 3.26Å; Q529-L533 WeakPolarHBondContact O-CG 3.23Å; Q529-L533 PolarHBondContact O-N 3.14Å; Q529-L533 VanDerWaalsContact O-N 3.14Å
530S67.8Low61.7Low49 Ų49115.7 Ų115.734%0.34359%0.588SS.*Hα-helixtrans-72.5-40.8173.656.20000112.3K526 H527 L528 F532 L533 D534K526-S530 PolarHBondContact O-N 3.46Å; K526-S530 PolarHBondContact O-OG 3.41Å; K526-S530 VanDerWaalsContact O-OG 3.09Å; H527-S530 WeakPolarHBondContact CA-OG 3.37Å; H527-S530 PolarHBondContact O-N 3.39Å; H527-S530 PolarHBondContact O-OG 3.24Å; L528-S530 VanDerWaalsContact C-N 3.33Å; L528-S530 PolarHBondContact O-N 2.88Å; S530-F532 VanDerWaalsContact C-N 3.35Å; S530-F532 PolarHBondContact O-N 2.68Å; S530-L533 PolarHBondContact O-N 3.44Å; S530-D534 WeakPolarHBondContact O-CB 3.31Å; S530-D534 PolarHBondContact O-N 3.13Å
531E67.3Low61.9Low82 Ų82112 Ų11238%0.38358%0.581SS.*Hα-helixtrans-64.7-38.3175.3-75.1175.1142.600111.6H527 L528 D534 I535H527-E531 IonicContact CE1-OE1 3.54Å; H527-E531 PolarHBondContact CE1-OE1 3.23Å; H527-E531 IonicContact CE1-OE2 3.21Å; H527-E531 IonicContact ND1-OE1 2.9Å; H527-E531 PolarHBondContact ND1-OE1 3.44Å; H527-E531 IonicContact ND1-OE2 3.97Å; H527-E531 PolarHBondContact ND1-OE2 3.36Å; H527-E531 WeakPolarHBondContact O-CB 3.38Å; H527-E531 VanDerWaalsContact O-CG 3.3Å; H527-E531 WeakPolarHBondContact O-CG 3.32Å; H527-E531 PolarHBondContact O-N 2.94Å; L528-E531 PolarHBondContact O-N 3.44Å; E531-D534 PolarHBondContact O-N 2.9Å; E531-I535 VanDerWaalsContact O-CB 3.27Å; E531-I535 WeakPolarHBondContact O-CB 3.3Å; E531-I535 VanDerWaalsContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CG1 3.36Å; E531-I535 PolarHBondContact O-N 3.49Å
532F68.6Low61.9Low150 Ų150114.3 Ų114.366%0.65860%0.599SS**Hα-helixtrans-65.1-38.9174.2-90.2-79.1000112.2L528 S530 E536L528-F532 WeakPolarHBondContact O-CB 3.42Å; L528-F532 WeakPolarHBondContact O-CD2 3.27Å; L528-F532 PolarHBondContact O-N 3.23Å; S530-F532 VanDerWaalsContact C-N 3.35Å; S530-F532 PolarHBondContact O-N 2.68Å; F532-E536 VanDerWaalsContact O-CB 3.29Å; F532-E536 WeakPolarHBondContact O-CB 3.38Å; F532-E536 PolarHBondContact O-N 3.37Å
533L68Low61.8Low108 Ų108113.1 Ų113.157%0.56560%0.601SS**Hα-helixtrans-75-33.6177.5-72.1169.6000112.9Q529 S530 A537Q529-L533 WeakPolarHBondContact O-CB 3.45Å; Q529-L533 WeakPolarHBondContact O-CD1 3.48Å; Q529-L533 VanDerWaalsContact O-CG 3.26Å; Q529-L533 WeakPolarHBondContact O-CG 3.23Å; Q529-L533 PolarHBondContact O-N 3.14Å; Q529-L533 VanDerWaalsContact O-N 3.14Å; S530-L533 PolarHBondContact O-N 3.44Å; L533-A537 WeakPolarHBondContact O-CB 3.43Å; L533-A537 PolarHBondContact O-N 3.02Å
534D68.1Low61.7Low98 Ų98115.6 Ų115.652%0.52461%0.608SS.*Hα-helixtrans-73.7-37.4176.5-69.2-21.9000110.7S530 E531 A537 E538S530-D534 WeakPolarHBondContact O-CB 3.31Å; S530-D534 PolarHBondContact O-N 3.13Å; E531-D534 PolarHBondContact O-N 2.9Å; D534-A537 PolarHBondContact O-N 2.94Å; D534-E538 WeakPolarHBondContact O-CG 3.45Å; D534-E538 PolarHBondContact O-N 2.92Å
535I68.5Low61.4Low98 Ų98113.5 Ų113.550%0.50362%0.617SS.*Hα-helixtrans-69.4-36.8172.8-63.4162.8000111.1E531 A537 E538 L539E531-I535 VanDerWaalsContact O-CB 3.27Å; E531-I535 WeakPolarHBondContact O-CB 3.3Å; E531-I535 VanDerWaalsContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CD1 3.25Å; E531-I535 WeakPolarHBondContact O-CG1 3.36Å; E531-I535 PolarHBondContact O-N 3.49Å; I535-A537 VanDerWaalsContact C-N 3.29Å; I535-A537 PolarHBondContact O-N 2.9Å; I535-E538 PolarHBondContact O-N 3.27Å; I535-L539 HydrophobicContact CG2-CD1 4.42Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.43Å; I535-L539 PolarHBondContact O-N 3.5Å; I535-L539 VanDerWaalsContact O-N 3.13Å
536E67.1Low61.2Low138 Ų138109.9 Ų109.965%0.64561%0.614SS**Hα-helixtrans-67-30.7173.5-168175.6-166.500112F532F532-E536 VanDerWaalsContact O-CB 3.29Å; F532-E536 WeakPolarHBondContact O-CB 3.38Å; F532-E536 PolarHBondContact O-N 3.37Å
537A64.8Low61.2Low64 Ų64109.5 Ų109.553%0.52962%0.62SS.*Hα-helixtrans-78-35.8175.300000113.4L533 D534 I535 L539 S540L533-A537 WeakPolarHBondContact O-CB 3.43Å; L533-A537 PolarHBondContact O-N 3.02Å; D534-A537 PolarHBondContact O-N 2.94Å; I535-A537 VanDerWaalsContact C-N 3.29Å; I535-A537 PolarHBondContact O-N 2.9Å; A537-L539 VanDerWaalsContact C-N 3.32Å; A537-S540 PolarHBondContact O-N 2.68Å
538E60.8Low60.7Low153 Ų153113.3 Ų113.372%0.71564%0.638SS**Hα-helixtrans-71.9-25.3175.3-72.7-178.6-17600112.5D534 I535 S540 G541D534-E538 WeakPolarHBondContact O-CG 3.45Å; D534-E538 PolarHBondContact O-N 2.92Å; I535-E538 PolarHBondContact O-N 3.27Å; E538-S540 PolarHBondContact O-N 2.91Å; E538-G541 PolarHBondContact O-N 3.4Å
539L59Low60.3Low150 Ų150117.1 Ų117.179%0.78565%0.654SS**THydrogen-bonded Turntrans-72.7-7.7170.8-71.1173.8000113.9I535 A537I535-L539 HydrophobicContact CG2-CD1 4.42Å; I535-L539 VanDerWaalsContact O-CG 3.3Å; I535-L539 WeakPolarHBondContact O-CG 3.43Å; I535-L539 PolarHBondContact O-N 3.5Å; I535-L539 VanDerWaalsContact O-N 3.13Å; A537-L539 VanDerWaalsContact C-N 3.32Å
540S58.1Low59.5Low110 Ų110118.7 Ų118.777%0.76967%0.666SS**THydrogen-bonded Turntrans-104.98.5173.9-159.30000113.8A537 E538A537-S540 PolarHBondContact O-N 2.68Å; E538-S540 PolarHBondContact O-N 2.91Å
541G51.5Low59Low53 Ų53122.8 Ų122.855%0.54669%0.689SS.*  trans-122.466-179.500000112.4E538 D543E538-G541 PolarHBondContact O-N 3.4Å; G541-D543 VanDerWaalsContact C-N 3.26Å; G541-D543 PolarHBondContact O-N 2.84Å
542S48.3Very low58.1Low114 Ų114125.7 Ų125.780%0.79771%0.707SS**  trans-72.386.3166.3178.30000109.4D544S542-D544 PolarHBondContact O-N 3.29Å; S542-D544 VanDerWaalsContact O-N 3.11Å
543D55.6Low57.1Low150 Ų150126 Ų12680%0.80272%0.716SS**  trans-69.880.4158.9-168.520.6000107.9G541G541-D543 VanDerWaalsContact C-N 3.26Å; G541-D543 PolarHBondContact O-N 2.84Å
544D53Low56Low138 Ų138125.4 Ų125.474%0.73871%0.713SS**  trans-100.585.6167.8-164.522.4000108.3S542 G546S542-D544 PolarHBondContact O-N 3.29Å; S542-D544 VanDerWaalsContact O-N 3.11Å; D544-G546 PolarHBondContact O-N 2.81Å; D544-G546 VanDerWaalsContact O-N 3.07Å
545S49.3Very low55.1Low109 Ų109128.1 Ų128.176%0.76273%0.727SS**  trans-76.575.9163.263.30000108.4
546G55.5Low54.2Low54 Ų54130.5 Ų130.556%0.55774%0.736SS**  trans-84.1107.9171.500000110.4D544 E548D544-G546 PolarHBondContact O-N 2.81Å; D544-G546 VanDerWaalsContact O-N 3.07Å; G546-E548 PolarHBondContact O-N 3.48Å
547D60.4Low53.7Low152 Ų152134.5 Ų134.581%0.81375%0.747SS**  trans-41.5116.8170.2-154.96.9000112.1E549D547-E549 PolarHBondContact O-N 3.37Å
548E51.5Low53.1Low185 Ų185140.3 Ų140.386%0.86476%0.764SS**  trans-74.4102.9173.6-67.6-163.6-179.800108.8G546G546-E548 PolarHBondContact O-N 3.48Å
549E56.2Low52.6Low166 Ų166141.8 Ų141.878%0.77677%0.77SS**  trans-75.2125.2159.5-71.3-147.7175.100109.3D547 V551D547-E549 PolarHBondContact O-N 3.37Å; E549-V551 WeakPolarHBondContact O-CG2 3.3Å; E549-V551 PolarHBondContact O-N 2.83Å
550D51.1Low52.2Low171 Ų171141.2 Ų141.291%0.91477%0.768SS**  trans-45.499.3167.4-73.4-50.5000111
551V56.5Low51.7Low136 Ų136144.6 Ų144.682%0.82477%0.769SS**  trans-106.395.8166.2-1580000108.5E549E549-V551 WeakPolarHBondContact O-CG2 3.3Å; E549-V551 PolarHBondContact O-N 2.83Å
552D49.3Very low51.7Low142 Ų142148 Ų14876%0.75977%0.773SS**  trans9.8117.3152.5-147.85.2000116.6N554D552-N554 VanDerWaalsContact C-N 3.28Å; D552-N554 PolarHBondContact O-N 2.82Å
553D47.1Very low51.8Low157 Ų157147.5 Ų147.584%0.8476%0.762SS**  trans-53.982.3167-70.5-47.4000111.3
554N44.8Very low51.8Low96 Ų96144 Ų14451%0.51375%0.753SS.*  trans-135.679.4169.2-154.756.6000109.6D552 E556D552-N554 VanDerWaalsContact C-N 3.28Å; D552-N554 PolarHBondContact O-N 2.82Å; N554-E556 PolarHBondContact ND2-OE1 3.39Å; N554-E556 PolarHBondContact O-N 2.85Å
555D49.5Very low51.9Low154 Ų154142.2 Ų142.282%0.82475%0.752SS**  20.926.7128.1-48.4-8.7000120.5
556E49.5Very low52.2Low148 Ų148140.7 Ų140.769%0.69274%0.742SS**  trans-102.510-174.3-89.1174175.700114.4N554N554-E556 PolarHBondContact ND2-OE1 3.39Å; N554-E556 PolarHBondContact O-N 2.85Å
557Y55.5Low52.3Low223 Ų223145 Ų14588%0.87575%0.747SS**THydrogen-bonded Turntrans-97.719.7176.1-76.7-80.7000114.7
558E52Low52.4Low186 Ų186145.7 Ų145.787%0.86975%0.751SS**THydrogen-bonded Turntrans-100.50.8171.8-95.1-164.1170.200114.8
559E52Low53.2Low183 Ų183143.5 Ų143.586%0.85574%0.744SS**SBendtrans-110.7-0.3-176.5-150.3160-153.300115.6F561E559-F561 VanDerWaalsContact C-N 3.3Å
560D49Very low54.3Low138 Ų138141 Ų14174%0.73873%0.731SS**  trans-95.931.9167-81.4-15000112.3I562D560-I562 PolarHBondContact O-N 3.48Å
561F48.2Very low55.7Low182 Ų182137.4 Ų137.480%0.79872%0.715SS**  trans-69.868.2156.2-146.8-86.1000107.1E559 D563E559-F561 VanDerWaalsContact C-N 3.3Å; F561-D563 PolarHBondContact O-N 2.87Å
562I51.8Low57.1Low123 Ų123139.7 Ų139.763%0.63171%0.71SS**  trans-43.8112.9172.2-65.2169000104.8D560 A564D560-I562 PolarHBondContact O-N 3.48Å; I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 2.76Å
563D50.4Low58.9Low105 Ų105135.1 Ų135.156%0.56170%0.697SS**  trans-39.1101.8179.9-99.4-42.9000108F561 S565 S566F561-D563 PolarHBondContact O-N 2.87Å; D563-S565 PolarHBondContact O-N 2.92Å; D563-S565 PolarHBondContact OD1-OG 3.45Å; D563-S566 WeakPolarHBondContact CB-OG 3.42Å; D563-S566 WeakPolarHBondContact O-CA 3.22Å; D563-S566 WeakPolarHBondContact O-CB 3.4Å; D563-S566 PolarHBondContact O-N 3.15Å; D563-S566 PolarHBondContact O-OG 3.5Å
564A55.8Low60.9Low75 Ų75133.2 Ų133.262%0.6268%0.683SS**THydrogen-bonded Turntrans-64.60.1174.100000111I562I562-A564 VanDerWaalsContact C-N 3.34Å; I562-A564 PolarHBondContact O-N 2.76Å
565S55.2Low63.1Low102 Ų102132.4 Ų132.471%0.71368%0.678SS**THydrogen-bonded Turntrans-93.8-10.4169.669.80000114D563D563-S565 PolarHBondContact O-N 2.92Å; D563-S565 PolarHBondContact OD1-OG 3.45Å
566S54.7Low65Low77 Ų77131.3 Ų131.354%0.53866%0.662SS.*THydrogen-bonded Turntrans-105.5-13.1-177.875.20000114.1D563 N568D563-S566 WeakPolarHBondContact CB-OG 3.42Å; D563-S566 WeakPolarHBondContact O-CA 3.22Å; D563-S566 WeakPolarHBondContact O-CB 3.4Å; D563-S566 PolarHBondContact O-N 3.15Å; D563-S566 PolarHBondContact O-OG 3.5Å; S566-N568 PolarHBondContact O-N 3.33Å
567E58Low67Low144 Ų144126.9 Ų126.967%0.67365%0.651SS**SBendtrans-65.2120166.1-105.8-175.7167.900108.7L569E567-L569 PolarHBondContact O-N 3.43Å
568N61.5Low68.8Low166 Ų166119.5 Ų119.589%0.88862%0.624SS**  trans-66.669.4-177.2-155.421.5000110S566 K570S566-N568 PolarHBondContact O-N 3.33Å; N568-K570 PolarHBondContact O-N 3.41Å
569L68.9Low70.8Confident140 Ų140115.5 Ų115.573%0.73361%0.608SS**PPolyproline II helixtrans-56.1121.9176.4-77161.9000107.4E567 T571E567-L569 PolarHBondContact O-N 3.43Å; L569-T571 PolarHBondContact O-N 2.94Å; L569-T571 VanDerWaalsContact O-N 3.17Å
570K79Confident72.8Confident114 Ų114108.8 Ų108.850%0.49659%0.587SS.*PPolyproline II helixtrans-47.3126.2177.2-68.5173.3-179.4170.10108.5N568 E574 E578N568-K570 PolarHBondContact O-N 3.41Å; K570-E574 HydrophobicContact CB-CB 4.27Å; K570-E578 WeakPolarHBondContact CD-OE2 3.32Å; K570-E578 WeakPolarHBondContact CE-OE2 3.37Å; K570-E578 IonicContact NZ-OE1 2.68Å; K570-E578 PolarHBondContact NZ-OE1 3.15Å; K570-E578 IonicContact NZ-OE2 2.94Å; K570-E578 PolarHBondContact NZ-OE2 3.22Å
571T81.9Confident75Confident94 Ų94109.5 Ų109.558%0.57758%0.584SS**PPolyproline II helixtrans-59.7148.3-178.6-59.80000108.7L569 G573 E574 L575L569-T571 PolarHBondContact O-N 2.94Å; L569-T571 VanDerWaalsContact O-N 3.17Å; T571-G573 PolarHBondContact O-N 3.08Å; T571-E574 PolarHBondContact N-OE2 3.44Å; T571-E574 WeakPolarHBondContact O-CA 3.4Å; T571-E574 WeakPolarHBondContact O-CB 3.44Å; T571-E574 PolarHBondContact O-N 3.33Å; T571-L575 PolarHBondContact O-N 3.48Å
572Y84.1Confident77.1Confident185 Ų185105 Ų10573%0.72557%0.568SS**Hα-helixtrans-47.5-36.5-179.8-179.9-100.4000113.6R576Y572-R576 WeakPolarHBondContact O-CB 3.2Å; Y572-R576 PolarHBondContact O-N 3.31Å
573G88.6Confident79.2Confident46 Ų46104.5 Ų104.547%0.47456%0.562SS.*Hα-helixtrans-67.2-36.4173.900000114.8T571 A577T571-G573 PolarHBondContact O-N 3.08Å; G573-A577 PolarHBondContact O-N 2.89Å
574E88.8Confident81.3Confident116 Ų116103.8 Ų103.854%0.54256%0.558SS.*Hα-helixtrans-71.5-40.1174.8-64.9178.5159.400111.2K570 T571 R576 A577 E578K570-E574 HydrophobicContact CB-CB 4.27Å; T571-E574 PolarHBondContact N-OE2 3.44Å; T571-E574 WeakPolarHBondContact O-CA 3.4Å; T571-E574 WeakPolarHBondContact O-CB 3.44Å; T571-E574 PolarHBondContact O-N 3.33Å; E574-R576 VanDerWaalsContact C-N 3.34Å; E574-R576 PolarHBondContact O-N 2.89Å; E574-A577 PolarHBondContact O-N 3.04Å; E574-E578 WeakPolarHBondContact O-CB 3.44Å; E574-E578 PolarHBondContact O-N 3.2Å
575L90.1Very high83.2Confident79 Ų79106.3 Ų106.341%0.41456%0.555SS.*Hα-helixtrans-61.6-43.3173.9-171.668.4000110.7T571 A577 E578 I579T571-L575 PolarHBondContact O-N 3.48Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.47Å; L575-E578 PolarHBondContact O-N 3.21Å; L575-I579 HydrophobicContact CG-CD1 4.04Å; L575-I579 WeakPolarHBondContact O-CB 3.4Å; L575-I579 VanDerWaalsContact O-CG1 3.24Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.11Å
576R90.6Very high85.1Confident132 Ų132106.2 Ų106.250%0.49854%0.544SS..Hα-helixtrans-61-40.6174.2-169.9179.1-173.6-123.81.4112.2Y572 E574 G580Y572-R576 WeakPolarHBondContact O-CB 3.2Å; Y572-R576 PolarHBondContact O-N 3.31Å; E574-R576 VanDerWaalsContact C-N 3.34Å; E574-R576 PolarHBondContact O-N 2.89Å; R576-G580 PolarHBondContact O-N 3.22Å
577A91.3Very high87Confident54 Ų54106.2 Ų106.245%0.44654%0.537SS..Hα-helixtrans-67.5-37.8176.500000112.2G573 E574 L575 G580 K581G573-A577 PolarHBondContact O-N 2.89Å; E574-A577 PolarHBondContact O-N 3.04Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.47Å; A577-G580 PolarHBondContact O-N 3.07Å; A577-K581 VanDerWaalsContact O-CG 3.3Å; A577-K581 WeakPolarHBondContact O-CG 3.24Å; A577-K581 PolarHBondContact O-N 2.79Å
578E92.3Very high88.8Confident69 Ų69104.1 Ų104.132%0.32253%0.529SS..Hα-helixtrans-67.9-42.8175.5-172.9170.6-156.600112K570 E574 L575 G580 K581 I582K570-E578 WeakPolarHBondContact CD-OE2 3.32Å; K570-E578 WeakPolarHBondContact CE-OE2 3.37Å; K570-E578 IonicContact NZ-OE1 2.68Å; K570-E578 PolarHBondContact NZ-OE1 3.15Å; K570-E578 IonicContact NZ-OE2 2.94Å; K570-E578 PolarHBondContact NZ-OE2 3.22Å; E574-E578 WeakPolarHBondContact O-CB 3.44Å; E574-E578 PolarHBondContact O-N 3.2Å; L575-E578 PolarHBondContact O-N 3.21Å; E578-G580 VanDerWaalsContact C-N 3.32Å; E578-G580 PolarHBondContact O-N 3.02Å; E578-K581 WeakPolarHBondContact O-CB 3.41Å; E578-K581 PolarHBondContact O-N 2.86Å; E578-K581 VanDerWaalsContact O-N 3.15Å; E578-I582 HydrophobicContact CG-CD1 4.24Å; E578-I582 WeakPolarHBondContact O-CG1 3.48Å; E578-I582 PolarHBondContact O-N 2.92Å
579I93.7Very high90.5Very high102 Ų102101.3 Ų101.352%0.52351%0.511SS..Hα-helixtrans-59.3-44.8172.3-67.7164.7000110.3L575 K581 I582 H583L575-I579 HydrophobicContact CG-CD1 4.04Å; L575-I579 WeakPolarHBondContact O-CB 3.4Å; L575-I579 VanDerWaalsContact O-CG1 3.24Å; L575-I579 WeakPolarHBondContact O-CG1 3.49Å; L575-I579 PolarHBondContact O-N 3.11Å; I579-K581 VanDerWaalsContact C-N 3.32Å; I579-K581 PolarHBondContact O-N 3.25Å; I579-I582 PolarHBondContact O-N 3.09Å; I579-H583 WeakPolarHBondContact O-CB 3.38Å; I579-H583 PolarHBondContact O-N 2.89Å
580G94.3Very high91.9Very high41 Ų41100.3 Ų100.342%0.42350%0.503SS..Hα-helixtrans-60.6-38.9174.800000113.2R576 A577 E578 N584R576-G580 PolarHBondContact O-N 3.22Å; A577-G580 PolarHBondContact O-N 3.07Å; E578-G580 VanDerWaalsContact C-N 3.32Å; E578-G580 PolarHBondContact O-N 3.02Å; G580-N584 WeakPolarHBondContact O-CB 3.33Å; G580-N584 PolarHBondContact O-N 3.25Å
581K95Very high92.7Very high154 Ų15499.9 Ų99.967%0.6751%0.506SS*.Hα-helixtrans-65.1-42174-74.3171.4-176.2178.10112.1A577 E578 I579 K585A577-K581 VanDerWaalsContact O-CG 3.3Å; A577-K581 WeakPolarHBondContact O-CG 3.24Å; A577-K581 PolarHBondContact O-N 2.79Å; E578-K581 WeakPolarHBondContact O-CB 3.41Å; E578-K581 PolarHBondContact O-N 2.86Å; E578-K581 VanDerWaalsContact O-N 3.15Å; I579-K581 VanDerWaalsContact C-N 3.32Å; I579-K581 PolarHBondContact O-N 3.25Å; K581-K585 VanDerWaalsContact O-CB 3.28Å; K581-K585 WeakPolarHBondContact O-CB 3.29Å; K581-K585 PolarHBondContact O-N 3.37Å
582I93.2Very high93.4Very high88 Ų8897.6 Ų97.645%0.45150%0.496SS..Hα-helixtrans-64.7-44.9177.8-67.6165.5000110.3E578 I579 K585 Q586E578-I582 HydrophobicContact CG-CD1 4.24Å; E578-I582 WeakPolarHBondContact O-CG1 3.48Å; E578-I582 PolarHBondContact O-N 2.92Å; I579-I582 PolarHBondContact O-N 3.09Å; I582-K585 WeakPolarHBondContact O-CB 3.43Å; I582-K585 PolarHBondContact O-N 3.18Å; I582-Q586 WeakPolarHBondContact O-CG 3.47Å; I582-Q586 PolarHBondContact O-N 2.89Å
583H95.6Very high94Very high111 Ų11196.2 Ų96.251%0.51449%0.494SS..Hα-helixtrans-62.5-46.2177.5-175.191.1000112.2I579 K585 Q586 L587I579-H583 WeakPolarHBondContact O-CB 3.38Å; I579-H583 PolarHBondContact O-N 2.89Å; H583-K585 VanDerWaalsContact C-N 3.32Å; H583-K585 PolarHBondContact O-N 2.92Å; H583-Q586 WeakPolarHBondContact O-CB 3.42Å; H583-Q586 PolarHBondContact O-N 3.15Å; H583-L587 PolarHBondContact O-N 3.07Å
584N93.8Very high94.3Very high90 Ų9098.4 Ų98.448%0.48149%0.493SS..Hα-helixtrans-63.2-39.2176.3-171.626.8000111.9G580 Q586 L587 I588G580-N584 WeakPolarHBondContact O-CB 3.33Å; G580-N584 PolarHBondContact O-N 3.25Å; N584-Q586 VanDerWaalsContact C-N 3.32Å; N584-Q586 PolarHBondContact O-N 3.44Å; N584-L587 PolarHBondContact O-N 2.84Å; N584-I588 WeakPolarHBondContact O-CG1 3.37Å; N584-I588 PolarHBondContact O-N 2.98Å
585K96.3Very high94.6Very high128 Ų12897.2 Ų97.256%0.55749%0.489SS*.Hα-helixtrans-60.5-42.5174179.6-179167.8-175.40111.5K581 I582 H583 I588 E589K581-K585 VanDerWaalsContact O-CB 3.28Å; K581-K585 WeakPolarHBondContact O-CB 3.29Å; K581-K585 PolarHBondContact O-N 3.37Å; I582-K585 WeakPolarHBondContact O-CB 3.43Å; I582-K585 PolarHBondContact O-N 3.18Å; H583-K585 VanDerWaalsContact C-N 3.32Å; H583-K585 PolarHBondContact O-N 2.92Å; K585-I588 PolarHBondContact O-N 2.73Å; K585-E589 WeakPolarHBondContact CE-OE1 3.33Å; K585-E589 IonicContact NZ-OE1 2.83Å; K585-E589 WeakPolarHBondContact O-CB 3.47Å; K585-E589 WeakPolarHBondContact O-CG 3.42Å; K585-E589 PolarHBondContact O-N 3.34Å
586Q95.6Very high94.7Very high101 Ų10197.9 Ų97.947%0.47249%0.494SS..Hα-helixtrans-62.8-45.5176.8-74.7174.6-20.300112.1I582 H583 N584 I588 E589 E590I582-Q586 WeakPolarHBondContact O-CG 3.47Å; I582-Q586 PolarHBondContact O-N 2.89Å; H583-Q586 WeakPolarHBondContact O-CB 3.42Å; H583-Q586 PolarHBondContact O-N 3.15Å; N584-Q586 VanDerWaalsContact C-N 3.32Å; N584-Q586 PolarHBondContact O-N 3.44Å; Q586-I588 PolarHBondContact O-N 3.01Å; Q586-E589 PolarHBondContact O-N 3.11Å; Q586-E590 WeakPolarHBondContact O-CG 3.21Å; Q586-E590 PolarHBondContact O-N 3.15Å
587L95.1Very high94.9Very high76 Ų7694.9 Ų94.940%0.39849%0.487SS..Hα-helixtrans-57.9-45.7175.6-74.6171.8000112.1H583 N584 E589 E590 D591H583-L587 PolarHBondContact O-N 3.07Å; N584-L587 PolarHBondContact O-N 2.84Å; L587-E589 VanDerWaalsContact C-N 3.33Å; L587-E589 PolarHBondContact O-N 3.43Å; L587-E590 PolarHBondContact O-N 3.43Å; L587-D591 PolarHBondContact O-N 3.42Å
588I96.1Very high95Very high100 Ų10097.8 Ų97.851%0.51349%0.49SS..Hα-helixtrans-64-38.8177.7-65.8166.7000111.5N584 K585 Q586 A592N584-I588 WeakPolarHBondContact O-CG1 3.37Å; N584-I588 PolarHBondContact O-N 2.98Å; K585-I588 PolarHBondContact O-N 2.73Å; Q586-I588 PolarHBondContact O-N 3.01Å; I588-A592 VanDerWaalsContact O-CB 3.29Å; I588-A592 WeakPolarHBondContact O-CB 3.43Å; I588-A592 PolarHBondContact O-N 3.44Å
589E97.2Very high95.1Very high108 Ų108100 Ų10051%0.50550%0.498SS..Hα-helixtrans-67.6-38.6176.7-76176.6-179.100112.1K585 Q586 L587 K593K585-E589 WeakPolarHBondContact CE-OE1 3.33Å; K585-E589 IonicContact NZ-OE1 2.83Å; K585-E589 WeakPolarHBondContact O-CB 3.47Å; K585-E589 WeakPolarHBondContact O-CG 3.42Å; K585-E589 PolarHBondContact O-N 3.34Å; Q586-E589 PolarHBondContact O-N 3.11Å; L587-E589 VanDerWaalsContact C-N 3.33Å; L587-E589 PolarHBondContact O-N 3.43Å; E589-K593 WeakPolarHBondContact O-CB 3.34Å; E589-K593 PolarHBondContact O-N 3.3Å
590E97Very high94.9Very high119 Ų119100.3 Ų100.356%0.55650%0.498SS*.Hα-helixtrans-65.2-46.4174.3-74.7177.9-178.500111.6Q586 L587 A592 K593 M594Q586-E590 WeakPolarHBondContact O-CG 3.21Å; Q586-E590 PolarHBondContact O-N 3.15Å; L587-E590 PolarHBondContact O-N 3.43Å; E590-A592 PolarHBondContact O-N 3.45Å; E590-K593 WeakPolarHBondContact O-CB 3.33Å; E590-K593 PolarHBondContact O-N 3.35Å; E590-M594 WeakPolarHBondContact O-CG 3.29Å; E590-M594 PolarHBondContact O-N 2.79Å
591D97.1Very high94.6Very high104 Ų104104 Ų10456%0.55650%0.502SS*.Hα-helixtrans-59.5-45.5174.4-77.8-13.6000111.6L587 K593 M594 I595L587-D591 PolarHBondContact O-N 3.42Å; D591-K593 VanDerWaalsContact C-N 3.3Å; D591-K593 PolarHBondContact O-N 2.88Å; D591-M594 PolarHBondContact O-N 2.8Å; D591-I595 WeakPolarHBondContact O-CB 3.46Å; D591-I595 VanDerWaalsContact O-CG1 3.3Å; D591-I595 WeakPolarHBondContact O-CG1 3.45Å; D591-I595 PolarHBondContact O-N 2.96Å
592A96Very high94.1Very high46 Ų46101.9 Ų101.938%0.3850%0.497SS..Hα-helixtrans-61.7-39.217700000111.8I588 E590 N596I588-A592 VanDerWaalsContact O-CB 3.29Å; I588-A592 WeakPolarHBondContact O-CB 3.43Å; I588-A592 PolarHBondContact O-N 3.44Å; E590-A592 PolarHBondContact O-N 3.45Å; A592-N596 WeakPolarHBondContact O-CB 3.24Å; A592-N596 PolarHBondContact O-N 2.91Å; A592-N596 PolarHBondContact O-ND2 2.86Å
593K96.1Very high93.7Very high156 Ų156103.2 Ų103.268%0.67851%0.505SS*.Hα-helixtrans-65.7-42.6174.9-175.3-176.9176.8-171.60111.4E589 E590 D591 N596 L597E589-K593 WeakPolarHBondContact O-CB 3.34Å; E589-K593 PolarHBondContact O-N 3.3Å; E590-K593 WeakPolarHBondContact O-CB 3.33Å; E590-K593 PolarHBondContact O-N 3.35Å; D591-K593 VanDerWaalsContact C-N 3.3Å; D591-K593 PolarHBondContact O-N 2.88Å; K593-N596 PolarHBondContact O-N 3.22Å; K593-L597 PolarHBondContact O-N 2.87Å
594M95.2Very high92.9Very high92 Ų92102.4 Ų102.445%0.45350%0.504SS..Hα-helixtrans-64.3-45.3176.8-72.7-58.9-68.900111.8E590 D591 N596 L597 F598E590-M594 WeakPolarHBondContact O-CG 3.29Å; E590-M594 PolarHBondContact O-N 2.79Å; D591-M594 PolarHBondContact O-N 2.8Å; M594-N596 VanDerWaalsContact C-N 3.29Å; M594-N596 PolarHBondContact O-N 3.25Å; M594-L597 WeakPolarHBondContact O-CB 3.29Å; M594-L597 PolarHBondContact O-N 3.23Å; M594-L597 HydrophobicContact SD-CD2 4.47Å; M594-F598 HydrophobicContact CE-CE2 3.96Å; M594-F598 HydrophobicContact CE-CZ 4.24Å; M594-F598 WeakPolarHBondContact O-CD2 3.47Å; M594-F598 PolarHBondContact O-N 3.48Å
595I95.2Very high91.9Very high91 Ų91100.7 Ų100.747%0.46750%0.499SS..Hα-helixtrans-58.2-42.8174.4-70.4167.1000110.7D591 F598 K599D591-I595 WeakPolarHBondContact O-CB 3.46Å; D591-I595 VanDerWaalsContact O-CG1 3.3Å; D591-I595 WeakPolarHBondContact O-CG1 3.45Å; D591-I595 PolarHBondContact O-N 2.96Å; I595-F598 PolarHBondContact O-N 3.36Å; I595-K599 HydrophobicContact CG2-CD 4.19Å; I595-K599 VanDerWaalsContact O-CG 3.31Å; I595-K599 WeakPolarHBondContact O-CG 3.29Å; I595-K599 PolarHBondContact O-N 3.37Å
596N93.3Very high90.2Very high94 Ų9499.5 Ų99.550%0.50349%0.491SS..Hα-helixtrans-66.7-39.6177.5-76.4-18.5000112.4A592 K593 M594 F598 K599 E600A592-N596 WeakPolarHBondContact O-CB 3.24Å; A592-N596 PolarHBondContact O-N 2.91Å; A592-N596 PolarHBondContact O-ND2 2.86Å; K593-N596 PolarHBondContact O-N 3.22Å; M594-N596 VanDerWaalsContact C-N 3.29Å; M594-N596 PolarHBondContact O-N 3.25Å; N596-F598 VanDerWaalsContact C-N 3.34Å; N596-F598 PolarHBondContact O-N 2.9Å; N596-K599 WeakPolarHBondContact O-CB 3.45Å; N596-K599 PolarHBondContact O-N 3.31Å; N596-E600 PolarHBondContact O-N 3.43Å
597L94.5Very high88.5Confident69 Ų69102.7 Ų102.736%0.36151%0.506SS..Hα-helixtrans-62-41.4173.5-175.669.4000111.7K593 M594 E600 K601K593-L597 PolarHBondContact O-N 2.87Å; M594-L597 WeakPolarHBondContact O-CB 3.29Å; M594-L597 PolarHBondContact O-N 3.23Å; M594-L597 HydrophobicContact SD-CD2 4.47Å; L597-E600 PolarHBondContact O-N 2.93Å; L597-K601 WeakPolarHBondContact O-CB 2.83Å; L597-K601 WeakPolarHBondContact O-CG 3.31Å; L597-K601 PolarHBondContact O-N 3.21Å
598F93.3Very high86.7Confident114 Ų114105 Ų10550%0.552%0.523SS..Hα-helixtrans-66-37.5174.8-75-61.3000112.3M594 I595 N596 L602M594-F598 HydrophobicContact CE-CE2 3.96Å; M594-F598 HydrophobicContact CE-CZ 4.24Å; M594-F598 WeakPolarHBondContact O-CD2 3.47Å; M594-F598 PolarHBondContact O-N 3.48Å; I595-F598 PolarHBondContact O-N 3.36Å; N596-F598 VanDerWaalsContact C-N 3.34Å; N596-F598 PolarHBondContact O-N 2.9Å; F598-L602 VanDerWaalsContact O-CB 3.29Å; F598-L602 WeakPolarHBondContact O-CB 3.08Å; F598-L602 VanDerWaalsContact O-CG 3.24Å; F598-L602 WeakPolarHBondContact O-CG 3.36Å; F598-L602 PolarHBondContact O-N 3.39Å
599K92.9Very high84.8Confident115 Ų115106.9 Ų106.950%0.552%0.524SS..Hα-helixtrans-63.2-44.8172.7-73.1170.5-177.1170.50111.6I595 N596 L602 L603I595-K599 HydrophobicContact CG2-CD 4.19Å; I595-K599 VanDerWaalsContact O-CG 3.31Å; I595-K599 WeakPolarHBondContact O-CG 3.29Å; I595-K599 PolarHBondContact O-N 3.37Å; N596-K599 WeakPolarHBondContact O-CB 3.45Å; N596-K599 PolarHBondContact O-N 3.31Å; K599-L602 PolarHBondContact O-N 3.02Å; K599-L603 VanDerWaalsContact O-CG 3.29Å; K599-L603 WeakPolarHBondContact O-CG 3.34Å; K599-L603 PolarHBondContact O-N 2.95Å
600E90.2Very high82.8Confident110 Ų110108.6 Ų108.651%0.51454%0.542SS..Hα-helixtrans-60.6-50.2175.8-172.2176.8-171.400110.7N596 L597 L602 L603 D604N596-E600 PolarHBondContact O-N 3.43Å; L597-E600 PolarHBondContact O-N 2.93Å; E600-L602 VanDerWaalsContact C-N 3.28Å; E600-L602 PolarHBondContact O-N 2.86Å; E600-L603 CarbonylContact O-C 3.59Å; E600-L603 WeakPolarHBondContact O-CA 3.3Å; E600-L603 WeakPolarHBondContact O-CB 3.48Å; E600-L603 PolarHBondContact O-N 3.45Å; E600-D604 PolarHBondContact O-N 2.95Å
601K88.6Confident81Confident119 Ų119106 Ų10652%0.51755%0.547SS..Hα-helixtrans-59-35.4174-72.6180177.3-177.50113.4L597 S605L597-K601 WeakPolarHBondContact O-CB 2.83Å; L597-K601 WeakPolarHBondContact O-CG 3.31Å; L597-K601 PolarHBondContact O-N 3.21Å; K601-S605 WeakPolarHBondContact O-CB 3.41Å; K601-S605 PolarHBondContact O-N 2.92Å; K601-S605 PolarHBondContact O-OG 2.85Å
602L85Confident78.9Confident109 Ų109106.4 Ų106.457%0.57155%0.549SS*.Hα-helixtrans-70.2-32.3174.6-80166.6000112.1F598 K599 E600 S605 R606F598-L602 VanDerWaalsContact O-CB 3.29Å; F598-L602 WeakPolarHBondContact O-CB 3.08Å; F598-L602 VanDerWaalsContact O-CG 3.24Å; F598-L602 WeakPolarHBondContact O-CG 3.36Å; F598-L602 PolarHBondContact O-N 3.39Å; K599-L602 PolarHBondContact O-N 3.02Å; E600-L602 VanDerWaalsContact C-N 3.28Å; E600-L602 PolarHBondContact O-N 2.86Å; L602-S605 WeakPolarHBondContact CA-OG 3.4Å; L602-S605 PolarHBondContact O-OG 3.18Å; L602-R606 WeakPolarHBondContact O-CB 3.48Å; L602-R606 PolarHBondContact O-N 2.88Å
603L83.4Confident77.2Confident115 Ų115113.9 Ų113.960%0.60257%0.567SS**Hα-helixtrans-73.4-44.6173-68.5170.8000111.1K599 E600 R606K599-L603 VanDerWaalsContact O-CG 3.29Å; K599-L603 WeakPolarHBondContact O-CG 3.34Å; K599-L603 PolarHBondContact O-N 2.95Å; E600-L603 CarbonylContact O-C 3.59Å; E600-L603 WeakPolarHBondContact O-CA 3.3Å; E600-L603 WeakPolarHBondContact O-CB 3.48Å; E600-L603 PolarHBondContact O-N 3.45Å; L603-R606 VanDerWaalsContact O-CB 3.29Å; L603-R606 WeakPolarHBondContact O-CB 3.41Å; L603-R606 PolarHBondContact O-N 3.29Å; L603-R606 VanDerWaalsContact O-N 3.09Å
604D79.8Confident75.4Confident94 Ų94115 Ų11550%0.50358%0.575SS.*Hα-helixtrans-63.6-44176.4-65.7-10.9000111.2E600 R606 E607E600-D604 PolarHBondContact O-N 2.95Å; D604-R606 PolarHBondContact O-N 3.19Å; D604-E607 WeakPolarHBondContact O-CB 3.34Å; D604-E607 PolarHBondContact O-N 3.43Å; D604-E607 VanDerWaalsContact O-N 3.11Å
605S72Confident74.1Confident54 Ų54120.8 Ų120.838%0.37859%0.591SS.*G310 helixtrans-68.8-17.5175.367.80000113.3K601 L602 E607K601-S605 WeakPolarHBondContact O-CB 3.41Å; K601-S605 PolarHBondContact O-N 2.92Å; K601-S605 PolarHBondContact O-OG 2.85Å; L602-S605 WeakPolarHBondContact CA-OG 3.4Å; L602-S605 PolarHBondContact O-OG 3.18Å; S605-E607 VanDerWaalsContact C-N 3.26Å
606R60.7Low72.7Confident103 Ų103128.2 Ų128.239%0.38961%0.614SS.*G310 helixtrans-76.2-16.3174.1-165.7175-178.6-167.30.1112L602 L603 D604 V608 R609 L612 R613L602-R606 WeakPolarHBondContact O-CB 3.48Å; L602-R606 PolarHBondContact O-N 2.88Å; L603-R606 VanDerWaalsContact O-CB 3.29Å; L603-R606 WeakPolarHBondContact O-CB 3.41Å; L603-R606 PolarHBondContact O-N 3.29Å; L603-R606 VanDerWaalsContact O-N 3.09Å; D604-R606 PolarHBondContact O-N 3.19Å; R606-V608 PolarHBondContact O-N 2.99Å; R606-V608 VanDerWaalsContact O-N 3.15Å; R606-R609 PolarHBondContact O-N 3.43Å; R606-L612 PolarHBondContact NH2-O 2.95Å; R606-R613 PolarHBondContact NH2-O 3.43Å
607E59.2Low71.1Confident169 Ų169130.4 Ų130.479%0.7962%0.622SS**G310 helixtrans-66.5-14.7176.4-154.7149.2-147.700112.7D604 S605D604-E607 WeakPolarHBondContact O-CB 3.34Å; D604-E607 PolarHBondContact O-N 3.43Å; D604-E607 VanDerWaalsContact O-N 3.11Å; S605-E607 VanDerWaalsContact C-N 3.26Å
608V58.1Low69.6Low124 Ų124130.1 Ų130.175%0.75264%0.636SS**G310 helixtrans-95.9-10.7172.8-171.80000113.4R606 T610R606-V608 PolarHBondContact O-N 2.99Å; R606-V608 VanDerWaalsContact O-N 3.15Å; V608-T610 PolarHBondContact O-N 3.46Å
609R56.3Low68.2Low139 Ų139135.6 Ų135.653%0.52565%0.653SS.*  trans-91.381175.2-69.1-166.7-162.388.4-2.4110.8R606 G611R606-R609 PolarHBondContact O-N 3.43Å; R609-G611 PolarHBondContact O-N 3.18Å
610T56Low66.4Low145 Ų145134.3 Ų134.389%0.8966%0.664SS**THydrogen-bonded Turntrans-59.213.8170.650.30000115.3V608V608-T610 PolarHBondContact O-N 3.46Å
611G57.7Low64.5Low65 Ų65135.5 Ų135.567%0.6768%0.679SS**THydrogen-bonded Turntrans-143.81.6-170.500000117.9R609R609-G611 PolarHBondContact O-N 3.18Å
612L54.3Low62.7Low112 Ų112134.5 Ų134.559%0.58669%0.693SS**SBendtrans-117.3104.3-179-88.986.8000113.2R606R606-L612 PolarHBondContact NH2-O 2.95Å
613R59.4Low61.3Low202 Ų202140.3 Ų140.376%0.76271%0.708SS**  trans40.378.8165.1-76-177.4166.2-163.5-7.8114.8R606 R615R606-R613 PolarHBondContact NH2-O 3.43Å; R613-R615 PolarHBondContact O-N 2.68Å
614H57.8Low59.5Low181 Ų181138 Ų13884%0.83871%0.711SS**  trans-51.8109.8153.4-84.966.8000107.4R616H614-R616 PolarHBondContact O-N 2.83Å
615R67.6Low57.8Low212 Ų212142.4 Ų142.480%0.873%0.729SS**  trans-58.9114.4167.5-91.2-178.8163.3172.9-5.8105.5R613 M617R613-R615 PolarHBondContact O-N 2.68Å; R615-M617 PolarHBondContact O-N 2.75Å
616R65.7Low56.8Low248 Ų248146.9 Ų146.994%0.93675%0.749SS**  trans-6886.1166.6-69.4-176166.4-158.6-4106.6H614 G618H614-R616 PolarHBondContact O-N 2.83Å; R616-G618 PolarHBondContact O-N 3.03Å
617M60Low56.5Low139 Ų139150.1 Ų150.169%0.68577%0.773SS**  trans-63.8103.4166.1-75.7-86.1-160.500106R615 W619R615-M617 PolarHBondContact O-N 2.75Å; M617-W619 PolarHBondContact O-N 3.38Å
618G64.4Low56.3Low63 Ų63152.9 Ų152.965%0.64978%0.776SS**THydrogen-bonded Turntrans-6939.7-178.800000114.9R616R616-G618 PolarHBondContact O-N 3.03Å
619W62.1Low56.1Low229 Ų229154.2 Ų154.287%0.86778%0.779SS**THydrogen-bonded Turntrans-97.8-4.8-176.3-69.459000112.7M617M617-W619 PolarHBondContact O-N 3.38Å
620A56.6Low56Low88 Ų88151.8 Ų151.873%0.72779%0.788SS**SBendtrans-98.2-2-176.200000115.3A622A620-A622 PolarHBondContact O-N 2.9Å
621T50.1Low55.9Low135 Ų135152.9 Ų152.983%0.82878%0.783SS**THydrogen-bonded Turntrans-96.133.6-174.342.20000114.7
622A51.5Low55.7Low98 Ų98158 Ų15881%0.8180%0.795SS**THydrogen-bonded Turntrans-109.36.5171.500000113.8A620A620-A622 PolarHBondContact O-N 2.9Å
623R54.7Low55.5Low232 Ų232158.2 Ų158.288%0.87581%0.806SS**SBendtrans-128.7101.2172.5-72.1-169.3-174.9-144.41.7110
624G44.9Very low54.9Low66 Ų66157.3 Ų157.368%0.6881%0.81SS**SBendtrans45.4127.5146.200000119.2
625E45.1Very low54.3Low186 Ų186156.1 Ų156.187%0.86981%0.81SS**  trans71.281.9164.9-59.5166.8154.800111.9
626D50.2Low53.3Low149 Ų149155.8 Ų155.880%0.79781%0.814SS**  -162.192.789.9-79.5-34.6000110.4
627L55.9Low52.5Low171 Ų171153.3 Ų153.390%0.89581%0.813SS**  trans-9624.4-179.6-154.379.7000113
628R54.4Low52Low227 Ų227151.8 Ų151.886%0.85781%0.808SS**SBendtrans-124.9-15-176-66.3-159.8-179.3-151.11.2117.4
629D53.3Low51.3Low151 Ų151154.1 Ų154.181%0.80781%0.811SS**SBendtrans-1113.9-178.5-68.8-24.3000114.5Q631D629-Q631 VanDerWaalsContact C-N 3.28Å; D629-Q631 PolarHBondContact O-N 3.2Å
630A53.8Low50.8Low88 Ų88146.4 Ų146.473%0.72779%0.792SS**THydrogen-bonded Turntrans-849.9178.800000114.7
631Q53.4Low50.6Low168 Ų168148.9 Ų148.979%0.78579%0.789SS**THydrogen-bonded Turntrans-107.715.9-173-70.8-171.9-13.700115.3D629D629-Q631 VanDerWaalsContact C-N 3.28Å; D629-Q631 PolarHBondContact O-N 3.2Å
632L54.2Low50.6Low174 Ų174148.7 Ų148.791%0.91179%0.788SS**SBendtrans-133.420.3-177-70.4175.9000115.9
633S50Low50.7Low116 Ų116151.2 Ų151.281%0.81179%0.786SS**  trans-120.852.7166.968.40000110.9
634E46.4Very low50.6Low182 Ų182144.8 Ų144.885%0.8577%0.773SS**  trans-98.878.4170-169.8158.5-165.600107.4
635D46.4Very low51.2Low157 Ų157145.8 Ų145.884%0.8476%0.763SS**SBendtrans-168119.3162.1-112.6-22.5000109.7
636K46.5Very low52.3Low204 Ų204143 Ų14389%0.88775%0.754SS**  trans87.554.9177.9-47.7-162.2-179.2-174.20117.4
637E48.6Very low53.4Low196 Ų196140 Ų14092%0.91675%0.745SS**  trans-83.1114.4150.1-78.3176.1168.100109
638D49.8Very low54.4Low107 Ų107135.3 Ų135.357%0.57272%0.72SS**  trans-62.8123.1174.5-17216.8000108.9S640 E641D638-S640 VanDerWaalsContact CG-OG 3.28Å; D638-S640 PolarHBondContact O-N 3.41Å; D638-S640 PolarHBondContact OD2-OG 3.23Å; D638-E641 PolarHBondContact O-N 2.68Å
639P50Low55.7Low112 Ų112127.2 Ų127.273%0.72770%0.698SS**THydrogen-bonded Turntrans-66.814.1-178.927.1-35000114.3
640S51Low57.1Low67 Ų67129.4 Ų129.447%0.46970%0.695SS.*THydrogen-bonded Turntrans-93.1-18.9178.475.70000114.2D638D638-S640 VanDerWaalsContact CG-OG 3.28Å; D638-S640 PolarHBondContact O-N 3.41Å; D638-S640 PolarHBondContact OD2-OG 3.23Å
641E51.9Low58.6Low140 Ų140132.2 Ų132.265%0.65469%0.687SS**G310 helixtrans-89.1-2.3180-71.2-165.8170.100114.4D638D638-E641 PolarHBondContact O-N 2.68Å
642V50.4Low60.3Low132 Ų132128.3 Ų128.380%0.867%0.669SS**G310 helixtrans-86.8-6.3176.3-178.80000112.9
643L52.9Low62Low150 Ų150125.6 Ų125.679%0.78565%0.653SS**G310 helixtrans-94.73.8-179.6-86.2162.5000114.8
644V54.2Low63.9Low98 Ų98122.5 Ų122.559%0.59464%0.635SS**SBendtrans-91.2-13.2-167.3174.70000115
645D56Low66.1Low86 Ų86121.5 Ų121.546%0.4662%0.623SS.*  trans-106.611.3-165.5-117.722.5000117.4L648 S649D645-L648 VanDerWaalsContact OD1-CB 3.24Å; D645-L648 WeakPolarHBondContact OD1-CB 3.49Å; D645-L648 WeakPolarHBondContact OD1-CD2 3.2Å; D645-S649 WeakPolarHBondContact O-CB 3.42Å; D645-S649 PolarHBondContact O-N 2.75Å; D645-S649 PolarHBondContact O-OG 2.87Å; D645-S649 VanDerWaalsContact O-OG 3.05Å
646D68.5Low68.2Low127 Ų127120.1 Ų120.168%0.67961%0.606SS**Hα-helixtrans-68.8-36.5170.6-84.8-0.7000111.6R650D646-R650 WeakPolarHBondContact O-CB 3.49Å; D646-R650 WeakPolarHBondContact O-CG 3.48Å; D646-R650 PolarHBondContact O-N 2.99Å
647S73.7Confident70.3Confident88 Ų88116.8 Ų116.862%0.61559%0.594SS**Hα-helixtrans-72.3-42.3179.772.10000112.3W651S647-W651 WeakPolarHBondContact O-CB 3.34Å; S647-W651 PolarHBondContact O-N 3.4Å
648L77.5Confident72.5Confident72 Ų72114.3 Ų114.338%0.37758%0.58SS.*Hα-helixtrans-71.1-41.7176.8-172.464.6000111D645 W651 Q652D645-L648 VanDerWaalsContact OD1-CB 3.24Å; D645-L648 WeakPolarHBondContact OD1-CB 3.49Å; D645-L648 WeakPolarHBondContact OD1-CD2 3.2Å; L648-W651 PolarHBondContact O-N 3.14Å; L648-Q652 HydrophobicContact CG-CG 4.47Å; L648-Q652 WeakPolarHBondContact O-CB 3.36Å; L648-Q652 WeakPolarHBondContact O-CG 3.39Å; L648-Q652 PolarHBondContact O-N 3.07Å
649S80.6Confident74.4Confident57 Ų57112 Ų11240%0.39958%0.576SS.*Hα-helixtrans-60.5-44.5173-77.80000111.6D645 W651 Q652 M653D645-S649 WeakPolarHBondContact O-CB 3.42Å; D645-S649 PolarHBondContact O-N 2.75Å; D645-S649 PolarHBondContact O-OG 2.87Å; D645-S649 VanDerWaalsContact O-OG 3.05Å; S649-W651 VanDerWaalsContact C-N 3.33Å; S649-W651 PolarHBondContact O-N 2.9Å; S649-Q652 PolarHBondContact O-N 3.45Å; S649-M653 VanDerWaalsContact O-CB 3.3Å; S649-M653 WeakPolarHBondContact O-CB 3.47Å; S649-M653 WeakPolarHBondContact O-CG 3.24Å; S649-M653 PolarHBondContact O-N 3.43Å
650R83.7Confident76.2Confident196 Ų196112.2 Ų112.274%0.7457%0.567SS**Hα-helixtrans-61.8-40.1174.8-76.1176.475.8-163.43.1112D646 A654D646-R650 WeakPolarHBondContact O-CB 3.49Å; D646-R650 WeakPolarHBondContact O-CG 3.48Å; D646-R650 PolarHBondContact O-N 2.99Å; R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.49Å; R650-A654 PolarHBondContact O-N 3.22Å
651W85.2Confident78.1Confident147 Ų147116.2 Ų116.256%0.55757%0.572SS**Hα-helixtrans-68.1-42.7177.7-174.888.6000112.5S647 L648 S649 A654 R655S647-W651 WeakPolarHBondContact O-CB 3.34Å; S647-W651 PolarHBondContact O-N 3.4Å; L648-W651 PolarHBondContact O-N 3.14Å; S649-W651 VanDerWaalsContact C-N 3.33Å; S649-W651 PolarHBondContact O-N 2.9Å; W651-A654 PolarHBondContact O-N 3.33Å; W651-R655 WeakPolarHBondContact O-CB 3.49Å; W651-R655 PolarHBondContact O-N 3.24Å
652Q88.4Confident79.8Confident87 Ų87113.5 Ų113.541%0.40756%0.562SS.*Hα-helixtrans-65-41.1175.6-71.9-178.811.300111.5L648 S649 R655 R656L648-Q652 HydrophobicContact CG-CG 4.47Å; L648-Q652 WeakPolarHBondContact O-CB 3.36Å; L648-Q652 WeakPolarHBondContact O-CG 3.39Å; L648-Q652 PolarHBondContact O-N 3.07Å; S649-Q652 PolarHBondContact O-N 3.45Å; Q652-R655 PolarHBondContact O-N 2.95Å; Q652-R656 WeakPolarHBondContact O-CB 3.49Å; Q652-R656 PolarHBondContact O-N 3.44Å
653M89.9Confident81.5Confident116 Ų116111.7 Ų111.757%0.57155%0.547SS*.Hα-helixtrans-62-49.6173.4-74.1-67.3-164.100111.4S649 R655 R656 E657S649-M653 VanDerWaalsContact O-CB 3.3Å; S649-M653 WeakPolarHBondContact O-CB 3.47Å; S649-M653 WeakPolarHBondContact O-CG 3.24Å; S649-M653 PolarHBondContact O-N 3.43Å; M653-R655 VanDerWaalsContact C-N 3.26Å; M653-R655 PolarHBondContact O-N 3.44Å; M653-R656 PolarHBondContact O-N 2.87Å; M653-R656 VanDerWaalsContact O-N 3.12Å; M653-R656 PolarHBondContact SD-NH1 3.01Å; M653-E657 WeakPolarHBondContact O-CB 3.47Å; M653-E657 PolarHBondContact O-N 3.44Å
654A90Very high83Confident52 Ų52111.1 Ų111.143%0.4354%0.54SS..Hα-helixtrans-62.1-33.8178.200000112.6R650 W651 K658R650-A654 VanDerWaalsContact O-CB 3.31Å; R650-A654 WeakPolarHBondContact O-CB 3.49Å; R650-A654 PolarHBondContact O-N 3.22Å; W651-A654 PolarHBondContact O-N 3.33Å; A654-K658 VanDerWaalsContact O-CB 3.26Å; A654-K658 WeakPolarHBondContact O-CB 3.33Å; A654-K658 PolarHBondContact O-N 3.03Å
655R92.4Very high84.2Confident161 Ų161111.5 Ų111.561%0.60854%0.535SS*.Hα-helixtrans-70.4-39.9174.7-167.1178.7-172.198.92.6112W651 Q652 M653 A659W651-R655 WeakPolarHBondContact O-CB 3.49Å; W651-R655 PolarHBondContact O-N 3.24Å; Q652-R655 PolarHBondContact O-N 2.95Å; M653-R655 VanDerWaalsContact C-N 3.26Å; M653-R655 PolarHBondContact O-N 3.44Å; R655-A659 WeakPolarHBondContact O-CB 3.28Å; R655-A659 PolarHBondContact O-N 3.29Å
656R90.3Very high84.9Confident127 Ų127113.8 Ų113.848%0.47954%0.543SS..Hα-helixtrans-67.5-46.3175.6-166.7-173.4-62.1123.40.1111.1Q652 M653 K658 A659 E660Q652-R656 WeakPolarHBondContact O-CB 3.49Å; Q652-R656 PolarHBondContact O-N 3.44Å; M653-R656 PolarHBondContact O-N 2.87Å; M653-R656 VanDerWaalsContact O-N 3.12Å; M653-R656 PolarHBondContact SD-NH1 3.01Å; R656-K658 VanDerWaalsContact C-N 3.33Å; R656-K658 PolarHBondContact O-N 2.85Å; R656-A659 CarbonylContact O-C 3.53Å; R656-A659 WeakPolarHBondContact O-CB 3.49Å; R656-A659 PolarHBondContact O-N 3.04Å; R656-A659 VanDerWaalsContact O-N 3.08Å; R656-E660 PolarHBondContact O-N 3.11Å
657E92.1Very high84.5Confident135 Ų135113.1 Ų113.163%0.63154%0.536SS*.Hα-helixtrans-59.2-42.6175-177.7-178.2-161.300111.4M653 A659 E660 W661M653-E657 WeakPolarHBondContact O-CB 3.47Å; M653-E657 PolarHBondContact O-N 3.44Å; E657-A659 VanDerWaalsContact C-N 3.33Å; E657-A659 PolarHBondContact O-N 2.93Å; E657-E660 PolarHBondContact O-N 2.71Å; E657-W661 VanDerWaalsContact O-CB 3.27Å; E657-W661 WeakPolarHBondContact O-CB 3.39Å; E657-W661 PolarHBondContact O-N 3.42Å
658K93.5Very high83.4Confident144 Ų144112.8 Ų112.863%0.62653%0.532SS*.Hα-helixtrans-63.7-38.2174.3-176.5174.1179.9175.40112.4A654 R656 L662A654-K658 VanDerWaalsContact O-CB 3.26Å; A654-K658 WeakPolarHBondContact O-CB 3.33Å; A654-K658 PolarHBondContact O-N 3.03Å; R656-K658 VanDerWaalsContact C-N 3.33Å; R656-K658 PolarHBondContact O-N 2.85Å; K658-L662 HydrophobicContact CG-CD1 4.25Å; K658-L662 WeakPolarHBondContact O-CB 3.3Å; K658-L662 PolarHBondContact O-N 2.93Å
659A90.2Very high82.3Confident59 Ų59116.9 Ų116.949%0.48855%0.553SS.*Hα-helixtrans-70.5-40.9177.100000111.9R655 R656 E657 L662 L663R655-A659 WeakPolarHBondContact O-CB 3.28Å; R655-A659 PolarHBondContact O-N 3.29Å; R656-A659 CarbonylContact O-C 3.53Å; R656-A659 WeakPolarHBondContact O-CB 3.49Å; R656-A659 PolarHBondContact O-N 3.04Å; R656-A659 VanDerWaalsContact O-N 3.08Å; E657-A659 VanDerWaalsContact C-N 3.33Å; E657-A659 PolarHBondContact O-N 2.93Å; A659-L662 PolarHBondContact O-N 3.3Å; A659-L663 WeakPolarHBondContact O-CB 3.43Å; A659-L663 PolarHBondContact O-N 2.97Å
660E88.3Confident80.8Confident115 Ų115121 Ų12154%0.53757%0.57SS.*Hα-helixtrans-62.8-42.6172.1-77.6173.4-174.800111.2R656 E657 L662 L663 E664R656-E660 PolarHBondContact O-N 3.11Å; E657-E660 PolarHBondContact O-N 2.71Å; E660-L662 PolarHBondContact O-N 2.75Å; E660-L663 CarbonylContact O-C 3.54Å; E660-L663 PolarHBondContact O-N 2.9Å; E660-E664 WeakPolarHBondContact O-CB 3.4Å; E660-E664 PolarHBondContact O-N 3.06Å
661W90Very high79.1Confident151 Ų151116 Ų11657%0.57257%0.566SS**Hα-helixtrans-62.2-43.4175-175.182.6000111.7E657 E664 Q665E657-W661 VanDerWaalsContact O-CB 3.27Å; E657-W661 WeakPolarHBondContact O-CB 3.39Å; E657-W661 PolarHBondContact O-N 3.42Å; W661-E664 PolarHBondContact O-N 3.15Å; W661-Q665 HydrophobicContact CD2-CG 3.98Å; W661-Q665 HydrophobicContact CE3-CG 3.95Å; W661-Q665 HydrophobicContact CH2-CG 3.8Å; W661-Q665 HydrophobicContact CZ2-CG 3.81Å; W661-Q665 HydrophobicContact CZ3-CG 3.86Å; W661-Q665 VanDerWaalsContact O-CG 3.28Å; W661-Q665 WeakPolarHBondContact O-CG 3.4Å; W661-Q665 PolarHBondContact O-N 2.93Å
662L87.1Confident77.1Confident84 Ų84116.1 Ų116.144%0.4458%0.578SS.*Hα-helixtrans-61.7-42.4173.7-101.7138.5000112K658 A659 E660 Q665 E666K658-L662 HydrophobicContact CG-CD1 4.25Å; K658-L662 WeakPolarHBondContact O-CB 3.3Å; K658-L662 PolarHBondContact O-N 2.93Å; A659-L662 PolarHBondContact O-N 3.3Å; E660-L662 PolarHBondContact O-N 2.75Å; L662-Q665 PolarHBondContact O-N 3.35Å; L662-E666 WeakPolarHBondContact O-CG 3.45Å; L662-E666 PolarHBondContact O-N 2.87Å
663L86Confident75Confident93 Ų93120 Ų12049%0.48760%0.601SS.*Hα-helixtrans-65.1-40.1175.8-168.568000111A659 E660 Q665 E666 H667A659-L663 WeakPolarHBondContact O-CB 3.43Å; A659-L663 PolarHBondContact O-N 2.97Å; E660-L663 CarbonylContact O-C 3.54Å; E660-L663 PolarHBondContact O-N 2.9Å; L663-Q665 VanDerWaalsContact C-N 3.35Å; L663-E666 CarbonylContact O-C 3.58Å; L663-E666 WeakPolarHBondContact O-CB 3.44Å; L663-E666 PolarHBondContact O-N 3.45Å; L663-E666 VanDerWaalsContact O-N 3.11Å; L663-H667 WeakPolarHBondContact O-CB 2.91Å; L663-H667 PolarHBondContact O-CD2 3.49Å; L663-H667 VanDerWaalsContact O-CD2 3.24Å; L663-H667 PolarHBondContact O-N 3.25Å
664E84.8Confident72.6Confident138 Ų138118.9 Ų118.965%0.64561%0.605SS**Hα-helixtrans-70.9-27.7175.9-168.6160.9-154.100112.5E660 W661 E666 H667 P668E660-E664 WeakPolarHBondContact O-CB 3.4Å; E660-E664 PolarHBondContact O-N 3.06Å; W661-E664 PolarHBondContact O-N 3.15Å; E664-E666 VanDerWaalsContact C-N 3.34Å; E664-H667 PolarHBondContact O-N 2.85Å; E664-P668 WeakPolarHBondContact O-CD 3.4Å; E664-P668 VanDerWaalsContact O-CG 3.22Å; E664-P668 WeakPolarHBondContact O-CG 3.47Å
665Q79.1Confident70.4Confident106 Ų106124.4 Ų124.450%0.49562%0.622SS.*Hα-helixtrans-71.7-26.2167.2-68.1-50.3-69.400112.7W661 L662 L663 P668W661-Q665 HydrophobicContact CD2-CG 3.98Å; W661-Q665 HydrophobicContact CE3-CG 3.95Å; W661-Q665 HydrophobicContact CH2-CG 3.8Å; W661-Q665 HydrophobicContact CZ2-CG 3.81Å; W661-Q665 HydrophobicContact CZ3-CG 3.86Å; W661-Q665 VanDerWaalsContact O-CG 3.28Å; W661-Q665 WeakPolarHBondContact O-CG 3.4Å; W661-Q665 PolarHBondContact O-N 2.93Å; L662-Q665 PolarHBondContact O-N 3.35Å; L663-Q665 VanDerWaalsContact C-N 3.35Å; Q665-P668 WeakPolarHBondContact O-CD 3.39Å
666E71.9Confident68.1Low135 Ų135123.1 Ų123.163%0.63163%0.632SS**Hα-helixtrans-82.1-23.8171.7-71.9179.3-177.900112.3L662 L663 E664L662-E666 WeakPolarHBondContact O-CG 3.45Å; L662-E666 PolarHBondContact O-N 2.87Å; L663-E666 CarbonylContact O-C 3.58Å; L663-E666 WeakPolarHBondContact O-CB 3.44Å; L663-E666 PolarHBondContact O-N 3.45Å; L663-E666 VanDerWaalsContact O-N 3.11Å; E664-E666 VanDerWaalsContact C-N 3.34Å
667H58.8Low66.3Low112 Ų112126.1 Ų126.152%0.51965%0.651SS.*SBendtrans-91.14.1179.1-85.5-77.2000119.9L663 E664 L669L663-H667 WeakPolarHBondContact O-CB 2.91Å; L663-H667 PolarHBondContact O-CD2 3.49Å; L663-H667 VanDerWaalsContact O-CD2 3.24Å; L663-H667 PolarHBondContact O-N 3.25Å; E664-H667 PolarHBondContact O-N 2.85Å; H667-L669 PolarHBondContact O-N 3.42Å
668P52.4Low64.3Low82 Ų82126 Ų12653%0.53266%0.66SS.*THydrogen-bonded Turntrans-80.711.4177.52.615.2000114.9E664 Q665E664-P668 WeakPolarHBondContact O-CD 3.4Å; E664-P668 VanDerWaalsContact O-CG 3.22Å; E664-P668 WeakPolarHBondContact O-CG 3.47Å; Q665-P668 WeakPolarHBondContact O-CD 3.39Å
669L53.2Low62.8Low158 Ų158124.6 Ų124.683%0.82766%0.659SS**THydrogen-bonded Turntrans-130.413.2-175.8-66.9176.8000115.3H667H667-L669 PolarHBondContact O-N 3.42Å
670N49.7Very low62.1Low142 Ų142126.6 Ų126.676%0.75967%0.665SS**SBendtrans-133.515.1-175-75.6-48.2000115.9
671S47.1Very low61.5Low92 Ų92123.9 Ų123.964%0.64366%0.663SS**SBendtrans-128.2123.6171.258.30000110.2
672D44.8Very low60.8Low150 Ų150120.8 Ų120.880%0.80266%0.664SS**SBendtrans62.568.1166-57.4-22.4000115.7
673D43.2Very low60.4Low167 Ų167121.1 Ų121.189%0.89367%0.67SS**  -156.4110.7126.7-94.5-29.9000110.3
674S39.1Very low60.2Low94 Ų94122.5 Ų122.566%0.65768%0.676SS**  trans-62.1144.3172.952.40000111.1
675E44.2Very low60Low168 Ų168122.9 Ų122.979%0.78568%0.676SS**SBendtrans86.9112.6155.8-34.4-160.4178.600116.2
676T43.9Very low60.1Low133 Ų133119.5 Ų119.582%0.81667%0.67SS**  trans78.671.7153.868.50000118.8
677E52.4Low60.4Low191 Ų191120.6 Ų120.689%0.89367%0.669SS**  -166.9116.7129.4-110.9166.6-174.800110.2N679E677-N679 VanDerWaalsContact C-N 3.34Å; E677-N679 PolarHBondContact O-N 3.2Å
678T49.5Very low61.4Low133 Ų133117 Ų11782%0.81666%0.662SS**  trans-66.489.7179.245.40000109.7T680T678-T680 PolarHBondContact O-N 3.2Å
679N63.8Low62.8Low113 Ų113117.6 Ų117.660%0.60466%0.659SS**  trans-71.7112.2176.3-149.9-20.3000108.8E677 A681 S682 V683E677-N679 VanDerWaalsContact C-N 3.34Å; E677-N679 PolarHBondContact O-N 3.2Å; N679-A681 PolarHBondContact O-N 3.23Å; N679-S682 WeakPolarHBondContact O-CB 3.35Å; N679-S682 PolarHBondContact O-N 3.17Å; N679-V683 PolarHBondContact O-N 3.43Å
680T75.3Confident63.8Low101 Ų101116 Ų11662%0.6265%0.647SS**Hα-helixtrans-52.6-28.9-179.445.20000112.1T678 S682 V683 I684T678-T680 PolarHBondContact O-N 3.2Å; T680-S682 PolarHBondContact O-N 2.95Å; T680-V683 PolarHBondContact O-N 3.04Å; T680-I684 WeakPolarHBondContact O-CB 3.08Å; T680-I684 WeakPolarHBondContact O-CD1 3Å; T680-I684 WeakPolarHBondContact O-CG1 3.22Å; T680-I684 PolarHBondContact O-N 2.97Å
681A74.9Confident64.9Low58 Ų58114.2 Ų114.248%0.47964%0.641SS.*Hα-helixtrans-61.4-38.2173.500000113.5N679 I684 F685N679-A681 PolarHBondContact O-N 3.23Å; A681-I684 PolarHBondContact O-N 2.97Å; A681-F685 VanDerWaalsContact O-CB 3.24Å; A681-F685 WeakPolarHBondContact O-CB 3.33Å; A681-F685 PolarHBondContact O-N 2.77Å
682S75.8Confident66Low86 Ų86115 Ų11560%0.60165%0.646SS**Hα-helixtrans-71.8-35.9177.1-176.80000111.6N679 T680 G686N679-S682 WeakPolarHBondContact O-CB 3.35Å; N679-S682 PolarHBondContact O-N 3.17Å; T680-S682 PolarHBondContact O-N 2.95Å; S682-G686 PolarHBondContact O-N 2.97Å
683V77.7Confident67Low92 Ų92111.2 Ų111.256%0.55863%0.631SS**Hα-helixtrans-66.8-44.7173.2-179.90000110.7N679 T680 G686 Y687N679-V683 PolarHBondContact O-N 3.43Å; T680-V683 PolarHBondContact O-N 3.04Å; V683-G686 PolarHBondContact O-N 2.88Å; V683-Y687 WeakPolarHBondContact O-CB 3.46Å; V683-Y687 PolarHBondContact O-N 3.46Å
684I82.9Confident67.2Low121 Ų121106.2 Ų106.262%0.62162%0.618SS**Hα-helixtrans-64.7-43.2177.5-67.9163.2000110.7T680 A681 Y687 G688T680-I684 WeakPolarHBondContact O-CB 3.08Å; T680-I684 WeakPolarHBondContact O-CD1 3Å; T680-I684 WeakPolarHBondContact O-CG1 3.22Å; T680-I684 PolarHBondContact O-N 2.97Å; A681-I684 PolarHBondContact O-N 2.97Å; I684-Y687 PolarHBondContact O-N 3.25Å; I684-G688 PolarHBondContact O-N 3.26Å
685F80.8Confident67.7Low146 Ų146106.6 Ų106.664%0.6462%0.617SS**Hα-helixtrans-65.1-43.2175.9-176.2-97.9000111.7A681 Y687 G688 M689A681-F685 VanDerWaalsContact O-CB 3.24Å; A681-F685 WeakPolarHBondContact O-CB 3.33Å; A681-F685 PolarHBondContact O-N 2.77Å; F685-Y687 PolarHBondContact O-N 3.34Å; F685-G688 PolarHBondContact O-N 3.5Å; F685-M689 HydrophobicContact CD1-CG 4.16Å; F685-M689 HydrophobicContact CE1-CG 3.74Å; F685-M689 HydrophobicContact CE2-CG 4.37Å; F685-M689 HydrophobicContact CZ-CG 3.86Å; F685-M689 HydrophobicContact CZ-SD 4.27Å; F685-M689 WeakPolarHBondContact O-CB 3.47Å; F685-M689 WeakPolarHBondContact O-CG 3.44Å; F685-M689 PolarHBondContact O-N 3.45Å
686G79.7Confident67.5Low36 Ų36104 Ų10437%0.37162%0.617SS.*Hα-helixtrans-61.1-41.8174.100000112.5S682 V683 M689 Q690S682-G686 PolarHBondContact O-N 2.97Å; V683-G686 PolarHBondContact O-N 2.88Å; G686-M689 PolarHBondContact O-N 3.26Å; G686-Q690 VanDerWaalsContact O-CB 3.32Å; G686-Q690 WeakPolarHBondContact O-CB 3.47Å; G686-Q690 PolarHBondContact O-N 3.48Å
687Y77.9Confident67.6Low158 Ų158102.5 Ų102.562%0.6261%0.613SS**Hα-helixtrans-66.5-43.2174.8-131.5-92.2000111.4V683 I684 F685 M689 Q690 V691V683-Y687 WeakPolarHBondContact O-CB 3.46Å; V683-Y687 PolarHBondContact O-N 3.46Å; I684-Y687 PolarHBondContact O-N 3.25Å; F685-Y687 PolarHBondContact O-N 3.34Å; Y687-M689 PolarHBondContact O-N 3.46Å; Y687-Q690 PolarHBondContact O-N 3.43Å; Y687-V691 HydrophobicContact CD1-CG2 4.2Å; Y687-V691 WeakPolarHBondContact O-CB 3.27Å; Y687-V691 VanDerWaalsContact O-CG2 3.23Å; Y687-V691 WeakPolarHBondContact O-CG2 3.28Å; Y687-V691 PolarHBondContact O-N 3.35Å
688G80.7Confident67.2Low35 Ų35100.2 Ų100.236%0.36161%0.606SS.*Hα-helixtrans-60-44.9175.500000112.1I684 F685 V691 C692I684-G688 PolarHBondContact O-N 3.26Å; F685-G688 PolarHBondContact O-N 3.5Å; G688-V691 PolarHBondContact O-N 3.19Å; G688-C692 WeakPolarHBondContact O-CB 3.34Å; G688-C692 PolarHBondContact O-N 3.23Å; G688-C692 PolarHBondContact O-SG 2.91Å
689M81.5Confident66.8Low95 Ų9598.6 Ų98.647%0.46860%0.601SS.*Hα-helixtrans-66.5-38.9175.7-76-61.3-62.500112.5F685 G686 Y687 C692 S693F685-M689 HydrophobicContact CD1-CG 4.16Å; F685-M689 HydrophobicContact CE1-CG 3.74Å; F685-M689 HydrophobicContact CE2-CG 4.37Å; F685-M689 HydrophobicContact CZ-CG 3.86Å; F685-M689 HydrophobicContact CZ-SD 4.27Å; F685-M689 WeakPolarHBondContact O-CB 3.47Å; F685-M689 WeakPolarHBondContact O-CG 3.44Å; F685-M689 PolarHBondContact O-N 3.45Å; G686-M689 PolarHBondContact O-N 3.26Å; Y687-M689 PolarHBondContact O-N 3.46Å; M689-C692 PolarHBondContact O-N 2.92Å; M689-S693 VanDerWaalsContact O-CB 3.22Å; M689-S693 WeakPolarHBondContact O-CB 3.35Å; M689-S693 PolarHBondContact O-N 3.49Å; M689-S693 PolarHBondContact O-OG 3.31Å
690Q74.2Confident65.9Low124 Ų124103.4 Ų103.458%0.57961%0.61SS**Hα-helixtrans-68.6-36.2177.9-170.5165.617.900112.2G686 Y687G686-Q690 VanDerWaalsContact O-CB 3.32Å; G686-Q690 WeakPolarHBondContact O-CB 3.47Å; G686-Q690 PolarHBondContact O-N 3.48Å; Y687-Q690 PolarHBondContact O-N 3.43Å
691V73.5Confident64.5Low106 Ų106107 Ų10764%0.64262%0.617SS**Hα-helixtrans-67.5-44173172.40000110.8Y687 G688 S693Y687-V691 HydrophobicContact CD1-CG2 4.2Å; Y687-V691 WeakPolarHBondContact O-CB 3.27Å; Y687-V691 VanDerWaalsContact O-CG2 3.23Å; Y687-V691 WeakPolarHBondContact O-CG2 3.28Å; Y687-V691 PolarHBondContact O-N 3.35Å; G688-V691 PolarHBondContact O-N 3.19Å; V691-S693 VanDerWaalsContact C-N 3.33Å; V691-S693 PolarHBondContact O-N 2.76Å
692C70.8Confident63Low109 Ų109113.4 Ų113.474%0.73664%0.635SS**Hα-helixtrans-67.6-29.3176.8-70.60000113.5G688 M689 G694G688-C692 WeakPolarHBondContact O-CB 3.34Å; G688-C692 PolarHBondContact O-N 3.23Å; G688-C692 PolarHBondContact O-SG 2.91Å; M689-C692 PolarHBondContact O-N 2.92Å; C692-G694 VanDerWaalsContact C-N 3.3Å; C692-G694 PolarHBondContact O-N 2.94Å
693S65.4Low61.6Low70 Ų70116 Ų11649%0.4964%0.642SS.*THydrogen-bonded Turntrans-82.80.3-175.8-580000114.4M689 V691 T695M689-S693 VanDerWaalsContact O-CB 3.22Å; M689-S693 WeakPolarHBondContact O-CB 3.35Å; M689-S693 PolarHBondContact O-N 3.49Å; M689-S693 PolarHBondContact O-OG 3.31Å; V691-S693 VanDerWaalsContact C-N 3.33Å; V691-S693 PolarHBondContact O-N 2.76Å; S693-T695 PolarHBondContact O-N 3.12Å
694G48Very low59.9Low61 Ų61121.8 Ų121.863%0.62966%0.659SS**THydrogen-bonded Turntrans59.114.3165.700000116.4C692 S696C692-G694 VanDerWaalsContact C-N 3.3Å; C692-G694 PolarHBondContact O-N 2.94Å; G694-S696 PolarHBondContact O-N 3.4Å
695T48.5Very low57.7Low102 Ų102121 Ų12163%0.62667%0.671SS**  trans-85.284.7178.453.60000109.9S693 S697S693-T695 PolarHBondContact O-N 3.12Å; T695-S697 PolarHBondContact O-N 3.08Å
696S40.7Very low55.6Low113 Ų113119.1 Ų119.179%0.7968%0.676SS**  trans-64.495.3170.537.50000110.9G694G694-S696 PolarHBondContact O-N 3.4Å
697S46.5Very low53.4Low103 Ų103123.6 Ų123.672%0.7270%0.696SS**  trans-160.983.4165.7-87.80000112.8T695T695-S697 PolarHBondContact O-N 3.08Å
698N43.9Very low51.6Low143 Ų143122.4 Ų122.477%0.76571%0.705SS**  170.7116.3106.2-97.8-37.6000112.4R700N698-R700 PolarHBondContact O-N 3.06Å
699S40.3Very low49.4Very low99 Ų99126.7 Ų126.769%0.69272%0.724SS**  trans-50.2122.7151.51790000111.2
700R45.6Very low47.4Very low213 Ų213127.7 Ų127.780%0.80474%0.741SS**  trans-156115.4141.5-119177.2-84.1-177.4-2.5113.1N698N698-R700 PolarHBondContact O-N 3.06Å
701K44.7Very low45.8Very low176 Ų176126.6 Ų126.677%0.76575%0.747SS**  trans-56.6135.4171-58.7163.4176.1177.30111.4
702F43.7Very low44.3Very low193 Ų193128.1 Ų128.185%0.84676%0.756SS**  trans-140.4105.5150.7-90-77.9000112
703N46.9Very low43Very low140 Ų140130.8 Ų130.875%0.74976%0.758SS**  trans-15.1130.8159.7-52.4-42.2000120.8
704K42Very low41.8Very low214 Ų214135.4 Ų135.493%0.9378%0.777SS**  17121.9125.1-95.9164173.7168.40119.9
705A36.7Very low41.5Very low106 Ų106135.7 Ų135.788%0.87678%0.78SS**  trans-164.8151.8142.600000107.5
706S37.4Very low40.9Very low105 Ų105137 Ų13773%0.73479%0.793SS**  cis-169.2112.1-18.7170.90000104.9
707T33Very low40.9Very low130 Ų130138.8 Ų138.880%0.79879%0.792SS**  trans-75.2130.6174.4-53.70000110.5V709T707-V709 HydrophobicContact CG2-CG2 4.04Å
708V39Very low40.5Very low134 Ų134138.2 Ų138.281%0.81279%0.793SS**  trans-116.7114.3163.9175.10000107.5
709V35.1Very low40.3Very low124 Ų124139.5 Ų139.575%0.75280%0.799SS**  trans-96.1136.4169.8167.20000108.1T707T707-V709 HydrophobicContact CG2-CG2 4.04Å
710S40.6Very low40.3Very low117 Ų117141.2 Ų141.282%0.81881%0.806SS**  trans-118128158.854.70000110
711S39.1Very low40.2Very low101 Ų101135.9 Ų135.971%0.70681%0.807SS**  trans-82.7142.3179.354.30000113.1
712V42.8Very low40.1Very low137 Ų137132.5 Ų132.583%0.8381%0.806SS**  trans-145.199.2152.1-179.20000105
713E42.4Very low40Very low166 Ų166134 Ų13478%0.77681%0.806SS**  56.8108.592.2-80177.4171.500114.6
714D41.8Very low40.2Very low167 Ų167134.8 Ų134.889%0.89381%0.808SS**  trans64.9103.1155-58-17.9000119.8
715G40.9Very low40.6Very low67 Ų67130.1 Ų130.169%0.69179%0.794SS**  trans170.983.6164.200000114.8I717G715-I717 PolarHBondContact O-N 3.45Å
716S36.9Very low41.1Very low128 Ų128130 Ų13090%0.89579%0.786SS**  trans-55.6114.8168.81730000111.2
717I39.4Very low41.7Very low152 Ų152131 Ų13178%0.77978%0.779SS**  trans-125.8118.5165.2-44.3176.7000108.4G715G715-I717 PolarHBondContact O-N 3.45Å
718A38.2Very low42.8Very low90 Ų90132.6 Ų132.674%0.74478%0.781SS**  trans-76.8117.2174.700000109T720A718-T720 PolarHBondContact O-N 2.96Å
719L40Very low43.8Very low170 Ų170131.6 Ų131.689%0.8978%0.78SS**  trans-79.3114.1171.7-67.7169.8000109A721L719-A721 PolarHBondContact O-N 3.42Å
720T40.9Very low45Very low135 Ų135129.2 Ų129.283%0.82876%0.763SS**  trans-73.6116.1165.547.10000108.5A718 S722A718-T720 PolarHBondContact O-N 2.96Å; T720-S722 PolarHBondContact O-N 2.79Å; T720-S722 VanDerWaalsContact O-N 3.11Å
721A42.4Very low46.5Very low102 Ų102126.6 Ų126.684%0.84375%0.745SS**  trans-67.5105.1176.200000110.3L719L719-A721 PolarHBondContact O-N 3.42Å
722S42.6Very low47.8Very low105 Ų105128.4 Ų128.473%0.73475%0.746SS**  trans-71.9120.5159.5176.80000108.1T720 I724T720-S722 PolarHBondContact O-N 2.79Å; T720-S722 VanDerWaalsContact O-N 3.11Å; S722-I724 PolarHBondContact O-N 3.37Å
723R41.3Very low49Very low224 Ų224129 Ų12985%0.84574%0.743SS**  trans-77.297.7-178.3-174.2178.6-175.9171.30.6108.2
724I52.7Low50.3Low156 Ų156128.5 Ų128.580%0.874%0.735SS**  trans-84.3118.3170.2-56172.3000107.2S722 S726S722-I724 PolarHBondContact O-N 3.37Å; I724-S726 PolarHBondContact O-N 3.01Å
725D49.1Very low51.5Low117 Ų117126.3 Ų126.363%0.62671%0.714SS**  trans-62.2130.3-177.5-75.1-44000112.5H727D725-H727 PolarHBondContact O-N 2.79Å
726S48.3Very low53.1Low102 Ų102130 Ų13071%0.71371%0.713SS**  trans-74.799.7-177.449.30000112.3I724I724-S726 PolarHBondContact O-N 3.01Å
727H49.1Very low54.9Low126 Ų126130.9 Ų130.958%0.58370%0.701SS**  trans-11345.3167.3-68.7-66.9000112.6D725D725-H727 PolarHBondContact O-N 2.79Å
728I55.9Low56.7Low164 Ų164126.8 Ų126.884%0.84168%0.683SS**  trans-892.1-169.1-68.6171.3000114.1
729S59.9Low58.6Low114 Ų114130 Ų13080%0.79768%0.68SS**SBendtrans-132.212.6-17666.20000117.7
730D61.6Low60.4Low73 Ų73128 Ų12839%0.3967%0.67SS.*  trans-97.2131.8178.2-86.7-42.6000113.2L732 R734D730-L732 PolarHBondContact O-N 3.4Å; D730-R734 IonicContact OD1-NH1 3.79Å
731S70.8Confident62.2Low62 Ų62127.6 Ų127.643%0.43466%0.658SS.*  trans-45.1135.2174.5174.70000111.2L733 R734 R735S731-L733 PolarHBondContact O-N 2.83Å; S731-L733 PolarHBondContact OG-N 3.44Å; S731-R734 WeakPolarHBondContact O-CA 3.26Å; S731-R734 WeakPolarHBondContact O-CB 3.15Å; S731-R734 PolarHBondContact O-N 2.83Å; S731-R735 PolarHBondContact O-N 2.93Å; S731-R735 VanDerWaalsContact O-N 3.14Å
732L67.5Low64.1Low139 Ų139128.3 Ų128.373%0.72865%0.647SS**Hα-helixtrans-50.3-33.3175.4-78.6160.7000112.6D730 R734 R735D730-L732 PolarHBondContact O-N 3.4Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.75Å; L732-R735 WeakPolarHBondContact O-CB 3.19Å; L732-R735 PolarHBondContact O-N 3.4Å
733L67.6Low65.8Low149 Ų149126 Ų12678%0.7864%0.635SS**Hα-helixtrans-68.5-24.3174.5-78.6128.5000114.3S731S731-L733 PolarHBondContact O-N 2.83Å; S731-L733 PolarHBondContact OG-N 3.44Å
734R69.8Low67.4Low157 Ų157122.9 Ų122.959%0.59263%0.628SS**Hα-helixtrans-86.5-28.6173.7-72.6-173.5176.9171.8-0.7112.3D730 S731 L732 E736 K737 T738D730-R734 IonicContact OD1-NH1 3.79Å; S731-R734 WeakPolarHBondContact O-CA 3.26Å; S731-R734 WeakPolarHBondContact O-CB 3.15Å; S731-R734 PolarHBondContact O-N 2.83Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.75Å; R734-E736 VanDerWaalsContact C-N 3.29Å; R734-E736 PolarHBondContact O-N 3.4Å; R734-K737 PolarHBondContact O-N 3.43Å; R734-K737 VanDerWaalsContact O-N 3.11Å; R734-T738 PolarHBondContact O-N 3.18Å; R734-T738 PolarHBondContact O-OG1 3.05Å; R734-T738 VanDerWaalsContact O-OG1 3.1Å
735R66.4Low68.7Low121 Ų121121.9 Ų121.946%0.45762%0.618SS.*Hα-helixtrans-60.2-38.6-177.7-135.2175.6-173146.20.7112.3S731 L732 T738 K739S731-R735 PolarHBondContact O-N 2.93Å; S731-R735 VanDerWaalsContact O-N 3.14Å; L732-R735 WeakPolarHBondContact O-CB 3.19Å; L732-R735 PolarHBondContact O-N 3.4Å; R735-T738 WeakPolarHBondContact CA-OG1 3.36Å; R735-T738 PolarHBondContact O-OG1 2.89Å; R735-K739 WeakPolarHBondContact O-CB 3.24Å; R735-K739 PolarHBondContact O-N 3.39Å
736E73.5Confident69.9Low144 Ų144119.8 Ų119.867%0.67361%0.611SS**Hα-helixtrans-68.7-42.3174-67.9-170.7166.100112.2R734 T738 K739 L740R734-E736 VanDerWaalsContact C-N 3.29Å; R734-E736 PolarHBondContact O-N 3.4Å; E736-T738 PolarHBondContact O-N 2.8Å; E736-K739 PolarHBondContact O-N 2.83Å; E736-L740 WeakPolarHBondContact O-CB 3.31Å; E736-L740 PolarHBondContact O-N 2.96Å
737K75.8Confident70.9Confident147 Ų147117.6 Ų117.664%0.63960%0.599SS**Hα-helixtrans-63.4-42.8176.7-172.2173.1179172.30111.7R734 L740 E741R734-K737 PolarHBondContact O-N 3.43Å; R734-K737 VanDerWaalsContact O-N 3.11Å; K737-L740 PolarHBondContact O-N 2.85Å; K737-E741 VanDerWaalsContact O-CB 3.27Å; K737-E741 WeakPolarHBondContact O-CB 3.3Å; K737-E741 PolarHBondContact O-N 3.3Å
738T76.5Confident71.6Confident66 Ų66114.4 Ų114.441%0.40559%0.591SS.*Hα-helixtrans-67.9-37.1176.350.50000111.9R734 R735 E736 E741 L742R734-T738 PolarHBondContact O-N 3.18Å; R734-T738 PolarHBondContact O-OG1 3.05Å; R734-T738 VanDerWaalsContact O-OG1 3.1Å; R735-T738 WeakPolarHBondContact CA-OG1 3.36Å; R735-T738 PolarHBondContact O-OG1 2.89Å; E736-T738 PolarHBondContact O-N 2.8Å; T738-E741 PolarHBondContact O-N 2.88Å; T738-L742 VanDerWaalsContact O-CB 3.31Å; T738-L742 WeakPolarHBondContact O-CB 3.07Å; T738-L742 PolarHBondContact O-N 3.42Å
739K79.1Confident72Confident158 Ų158112.2 Ų112.269%0.68758%0.581SS**Hα-helixtrans-65.2-43.5174.2-87.3-173.2174.5-173.60112R735 E736 L742 A743R735-K739 WeakPolarHBondContact O-CB 3.24Å; R735-K739 PolarHBondContact O-N 3.39Å; E736-K739 PolarHBondContact O-N 2.83Å; K739-L742 PolarHBondContact O-N 3.47Å; K739-A743 WeakPolarHBondContact O-CB 3.42Å; K739-A743 PolarHBondContact O-N 3.22Å
740L76.8Confident71.8Confident128 Ų128111 Ų11167%0.6757%0.573SS**Hα-helixtrans-65.3-39.9175.5-85.9163.7000112.1E736 K737 A743 F744E736-L740 WeakPolarHBondContact O-CB 3.31Å; E736-L740 PolarHBondContact O-N 2.96Å; K737-L740 PolarHBondContact O-N 2.85Å; L740-A743 PolarHBondContact O-N 2.92Å; L740-F744 VanDerWaalsContact O-CB 3.31Å; L740-F744 WeakPolarHBondContact O-CB 2.88Å; L740-F744 PolarHBondContact O-N 3.46Å
741E79.5Confident71.4Confident125 Ų125114.4 Ų114.458%0.58459%0.591SS**Hα-helixtrans-65.9-40176.3-170.6168.5-176.800111.5K737 T738 F744 K745K737-E741 VanDerWaalsContact O-CB 3.27Å; K737-E741 WeakPolarHBondContact O-CB 3.3Å; K737-E741 PolarHBondContact O-N 3.3Å; T738-E741 PolarHBondContact O-N 2.88Å; E741-F744 PolarHBondContact O-N 3.22Å; E741-K745 VanDerWaalsContact O-CB 3.3Å; E741-K745 WeakPolarHBondContact O-CB 3.11Å; E741-K745 PolarHBondContact O-N 3.08Å
742L81.6Confident70.5Confident117 Ų117120 Ų12061%0.61361%0.61SS**Hα-helixtrans-67.5-41.1174.9-139.3151.7000111.3T738 K739 K745 C746T738-L742 VanDerWaalsContact O-CB 3.31Å; T738-L742 WeakPolarHBondContact O-CB 3.07Å; T738-L742 PolarHBondContact O-N 3.42Å; K739-L742 PolarHBondContact O-N 3.47Å; L742-K745 PolarHBondContact O-N 2.88Å; L742-C746 WeakPolarHBondContact O-CB 3.22Å; L742-C746 PolarHBondContact O-N 2.78Å; L742-C746 PolarHBondContact O-SG 3.24Å
743A78.2Confident69.4Low58 Ų58118 Ų11848%0.47961%0.608SS.*Hα-helixtrans-63.7-41.2173.500000112.2K739 L740 C746 A747K739-A743 WeakPolarHBondContact O-CB 3.42Å; K739-A743 PolarHBondContact O-N 3.22Å; L740-A743 PolarHBondContact O-N 2.92Å; A743-C746 PolarHBondContact O-N 2.73Å; A743-A747 VanDerWaalsContact O-CB 3.3Å; A743-A747 WeakPolarHBondContact O-CB 3.24Å; A743-A747 PolarHBondContact O-N 3.5Å
744F76.6Confident68.3Low157 Ų157122.4 Ų122.469%0.68961%0.614SS**Hα-helixtrans-67.2-38.3177.1-160.8-87.4000111.7L740 E741 A747 S748L740-F744 VanDerWaalsContact O-CB 3.31Å; L740-F744 WeakPolarHBondContact O-CB 2.88Å; L740-F744 PolarHBondContact O-N 3.46Å; E741-F744 PolarHBondContact O-N 3.22Å; F744-A747 PolarHBondContact O-N 2.76Å; F744-S748 WeakPolarHBondContact O-CB 3.49Å; F744-S748 PolarHBondContact O-N 3.3Å; F744-S748 PolarHBondContact O-OG 3.05Å
745K79.4Confident66.9Low136 Ų136122 Ų12259%0.59162%0.624SS**Hα-helixtrans-68.9-43.8176.3-152.9173.4-178.5-175.70111.4E741 L742 A747 S748 D749E741-K745 VanDerWaalsContact O-CB 3.3Å; E741-K745 WeakPolarHBondContact O-CB 3.11Å; E741-K745 PolarHBondContact O-N 3.08Å; L742-K745 PolarHBondContact O-N 2.88Å; K745-A747 VanDerWaalsContact C-N 3.32Å; K745-A747 PolarHBondContact O-N 3.44Å; K745-S748 PolarHBondContact O-N 3.46Å; K745-S748 VanDerWaalsContact O-N 3.16Å; K745-D749 WeakPolarHBondContact O-CB 3.14Å; K745-D749 VanDerWaalsContact O-CG 3.24Å; K745-D749 PolarHBondContact O-N 3.32Å
746C74.1Confident65.5Low73 Ų73123.9 Ų123.949%0.49364%0.643SS.*Hα-helixtrans-62.9-35.2172.4-69.60000113L742 A743 S750L742-C746 WeakPolarHBondContact O-CB 3.22Å; L742-C746 PolarHBondContact O-N 2.78Å; L742-C746 PolarHBondContact O-SG 3.24Å; A743-C746 PolarHBondContact O-N 2.73Å; C746-S750 VanDerWaalsContact O-CB 3.25Å; C746-S750 WeakPolarHBondContact O-CB 3.47Å; C746-S750 PolarHBondContact O-N 3.45Å
747A69.5Low64Low55 Ų55121.2 Ų121.246%0.45565%0.645SS.*Hα-helixtrans-71.8-31.3174.200000112.7A743 F744 K745 N751A743-A747 VanDerWaalsContact O-CB 3.3Å; A743-A747 WeakPolarHBondContact O-CB 3.24Å; A743-A747 PolarHBondContact O-N 3.5Å; F744-A747 PolarHBondContact O-N 2.76Å; K745-A747 VanDerWaalsContact C-N 3.32Å; K745-A747 PolarHBondContact O-N 3.44Å; A747-N751 PolarHBondContact O-ND2 2.8Å
748S64.6Low62.3Low60 Ų60124.2 Ų124.242%0.4266%0.659SS.*Hα-helixtrans-76.6-39.9177.4-57.30000111.8F744 K745 S750F744-S748 WeakPolarHBondContact O-CB 3.49Å; F744-S748 PolarHBondContact O-N 3.3Å; F744-S748 PolarHBondContact O-OG 3.05Å; K745-S748 PolarHBondContact O-N 3.46Å; K745-S748 VanDerWaalsContact O-N 3.16Å; S748-S750 VanDerWaalsContact C-N 3.3Å; S748-S750 PolarHBondContact O-N 3.38Å
749D62.4Low60.8Low118 Ų118129.4 Ų129.463%0.63168%0.681SS**Hα-helixtrans-76.7-15.7-179.8-64.6-18.6000112.6K745K745-D749 WeakPolarHBondContact O-CB 3.14Å; K745-D749 VanDerWaalsContact O-CG 3.24Å; K745-D749 PolarHBondContact O-N 3.32Å
750S55.9Low59.1Low88 Ų88127.1 Ų127.162%0.61568%0.682SS**THydrogen-bonded Turntrans-88-5.9179.1-176.90000114.6C746 S748C746-S750 VanDerWaalsContact O-CB 3.25Å; C746-S750 WeakPolarHBondContact O-CB 3.47Å; C746-S750 PolarHBondContact O-N 3.45Å; S748-S750 VanDerWaalsContact C-N 3.3Å; S748-S750 PolarHBondContact O-N 3.38Å
751N54.1Low57.4Low145 Ų145125.3 Ų125.378%0.77569%0.685SS**THydrogen-bonded Turntrans-95.39-177.1-82.4-27.8000114.7A747A747-N751 PolarHBondContact O-ND2 2.8Å
752E51.4Low55.2Low179 Ų179125.2 Ų125.284%0.83670%0.699SS**SBendtrans-110.432.4-177.8-113.4166.4-17200113.9
753S45.4Very low53.3Low98 Ų98127.7 Ų127.769%0.68571%0.711SS**SBendtrans-173.499.5156.148.50000112
754R43.8Very low51.4Low240 Ų240130 Ų13091%0.90672%0.724SS**  trans16675.7143.3-90.6161.3-175.7-173.83.4110.5
755N39.6Very low49.4Very low150 Ų150131.7 Ų131.780%0.80273%0.734SS**  trans-68.7136148.4-66.5-31.9000107.5
756N38.7Very low47.5Very low160 Ų160133.6 Ų133.686%0.85675%0.745SS**SBendtrans87.782.1172.8-41.5-34.5000116
757A40.8Very low46.1Very low87 Ų87137.3 Ų137.372%0.71976%0.76SS**  trans163.195.8136.500000108.1
758F40.1Very low44.5Very low211 Ų211144 Ų14493%0.92578%0.782SS**  trans171.872.4150.2-95.2-69000107.5
759M45.1Very low43.6Very low175 Ų175149.5 Ų149.586%0.86280%0.801SS**  trans-94113.8157.1-86.7-103.975.700106.5A761M759-A761 PolarHBondContact O-N 3.31Å
760P44.2Very low42.5Very low110 Ų110155.7 Ų155.771%0.71482%0.816SS**  trans-71.9125.2167.628.9-29.3000108.2S762P760-S762 PolarHBondContact O-N 3.35Å
761A39.8Very low41.4Very low89 Ų89160.6 Ų160.674%0.73683%0.829SS**  trans-60.9128.6177.400000110.7M759 L763M759-A761 PolarHBondContact O-N 3.31Å; A761-L763 PolarHBondContact O-N 3.47Å
762S33.1Very low40.5Very low124 Ų124159.3 Ų159.387%0.86783%0.831SS**  trans-61.8111.9169.350.60000110.2P760P760-S762 PolarHBondContact O-N 3.35Å
763L42.1Very low39.8Very low168 Ų168159.9 Ų159.988%0.8883%0.834SS**PPolyproline II helixtrans-91.2133.2168-105.9129.2000109.9A761A761-L763 PolarHBondContact O-N 3.47Å
764S37.8Very low39.6Very low107 Ų107162 Ų16275%0.74884%0.843SS**PPolyproline II helixtrans-68.8150.8-17152.10000114.6Q766S764-Q766 PolarHBondContact O-N 3.48Å
765E36.4Very low39.7Very low193 Ų193159.7 Ų159.790%0.90284%0.843SS**PPolyproline II helixtrans-51.2119.6168.5-66.1168.9148.800112.6
766Q38.8Very low40.3Very low176 Ų176158 Ų15882%0.82284%0.843SS**  trans-161.9136.8147.1-118.9171.7-15.900110.1S764S764-Q766 PolarHBondContact O-N 3.48Å
767D44Very low41.3Very low151 Ų151155.3 Ų155.381%0.80783%0.827SS**  trans95.679.9165.3-50.8-18.4000117
768E36.7Very low42.4Very low195 Ų195155.5 Ų155.591%0.91182%0.821SS**  trans-69.3115.2148.7-66-162.8158.500110.4
769E45.2Very low42.9Very low176 Ų176152.1 Ų152.182%0.82281%0.812SS**  trans-171.8151.8146.2-117.8173.716300107.4
770W38.9Very low43.6Very low248 Ų248152.1 Ų152.194%0.93981%0.81SS**  trans90.249-176.6-47.4100000117.5
771Q32.5Very low44.4Very low190 Ų190153.5 Ų153.589%0.88881%0.805SS**  trans-106112.7143.1-82.8-171.6-3.600108.9
772S37.1Very low45.1Very low119 Ų119157.9 Ų157.983%0.83280%0.802SS**  trans169.9113.6145.5-78.90000109.9
773Q36.1Very low46.4Very low191 Ų191162.3 Ų162.389%0.89380%0.8SS**  trans130.677.1158.2-73.5-176.51200113
774T41.8Very low47.4Very low143 Ų143163.6 Ų163.688%0.87779%0.793SS**  trans-143.886.9144.239.50000108.1S776T774-S776 PolarHBondContact O-N 3.47Å
775E45.1Very low48.3Very low191 Ų191163 Ų16389%0.89378%0.78SS**PPolyproline II helixtrans-63.5120.6167.1-79.5-178.9150.100109.1I777E775-I777 PolarHBondContact O-N 3.4Å
776S51.3Low49.3Very low115 Ų115160.8 Ų160.880%0.80477%0.768SS**PPolyproline II helixtrans-63.6117.7177.658.80000111T774T774-S776 PolarHBondContact O-N 3.47Å
777I61.3Low50.1Low103 Ų103155.4 Ų155.453%0.52875%0.754SS.*PPolyproline II helixtrans-66129.7175-64.2166.5000109.4E775 K781E775-I777 PolarHBondContact O-N 3.4Å; I777-K781 HydrophobicContact CG2-CB 3.42Å; I777-K781 VanDerWaalsContact CG2-CB 3.42Å; I777-K781 HydrophobicContact CG2-CD 3.99Å; I777-K781 HydrophobicContact CG2-CG 4.33Å
778P62.3Low50.7Low90 Ų90154.1 Ų154.158%0.58474%0.743SS**PPolyproline II helixtrans-58139.5177.1-22.431.6000111.9Q780 K781P778-Q780 PolarHBondContact O-N 3.49Å; P778-K781 WeakPolarHBondContact O-CB 3.46Å; P778-K781 PolarHBondContact O-N 2.91Å
779L51.9Low51.6Low141 Ų141151.4 Ų151.474%0.73873%0.73SS**Hα-helixtrans-50.7-25.4-178.3-75.2165.4000114.2K781 R782L779-K781 VanDerWaalsContact C-N 3.33Å; L779-K781 PolarHBondContact O-N 3.34Å; L779-R782 PolarHBondContact O-N 2.83Å
780Q59.3Low52Low174 Ų174146.7 Ų146.781%0.81372%0.716SS**Hα-helixtrans-71-24177.2-144.2171.82.900113.6P778P778-Q780 PolarHBondContact O-N 3.49Å
781K60.4Low52.4Low140 Ų140141.4 Ų141.461%0.60971%0.706SS**Hα-helixtrans-83-28.8174.1-117.1179.7178.4179.80112.7I777 P778 L779 R783 R784 L785I777-K781 HydrophobicContact CG2-CB 3.42Å; I777-K781 VanDerWaalsContact CG2-CB 3.42Å; I777-K781 HydrophobicContact CG2-CD 3.99Å; I777-K781 HydrophobicContact CG2-CG 4.33Å; P778-K781 WeakPolarHBondContact O-CB 3.46Å; P778-K781 PolarHBondContact O-N 2.91Å; L779-K781 VanDerWaalsContact C-N 3.33Å; L779-K781 PolarHBondContact O-N 3.34Å; K781-R783 VanDerWaalsContact C-N 3.34Å; K781-R783 PolarHBondContact O-N 3.28Å; K781-R784 PolarHBondContact O-N 3.32Å; K781-L785 PolarHBondContact O-N 3.38Å
782R55.1Low53Low181 Ų181139.8 Ų139.868%0.68370%0.698SS**Hα-helixtrans-63.9-36.2174.4-105.1-177.8-178.6174.90.4112.5L779 R784 F786L779-R782 PolarHBondContact O-N 2.83Å; R782-R784 VanDerWaalsContact C-N 3.35Å; R782-R784 PolarHBondContact O-N 3.11Å; R782-F786 PolarHBondContact O-N 3.02Å
783R60.8Low53.4Low217 Ų217139.5 Ų139.582%0.81969%0.692SS**Hα-helixtrans-69.2-25176.4-90.7-177.2165179.2-4.4114.5K781K781-R783 VanDerWaalsContact C-N 3.34Å; K781-R783 PolarHBondContact O-N 3.28Å
784R61.7Low54.1Low194 Ų194136 Ų13673%0.73268%0.683SS**Hα-helixtrans-81.1-36.9175.2-88.7-174.9175170.6-1.2113K781 R782 F786 A787 E788K781-R784 PolarHBondContact O-N 3.32Å; R782-R784 VanDerWaalsContact C-N 3.35Å; R782-R784 PolarHBondContact O-N 3.11Å; R784-F786 VanDerWaalsContact C-N 3.33Å; R784-F786 PolarHBondContact O-N 3.11Å; R784-A787 PolarHBondContact O-N 3.03Å; R784-E788 PolarHBondContact O-N 2.97Å
785L58.6Low54.6Low94 Ų94138.3 Ų138.349%0.49268%0.681SS.*Hα-helixtrans-69.8-28.4178.6-70.1172.4000113.3K781 E788 Q789K781-L785 PolarHBondContact O-N 3.38Å; L785-E788 PolarHBondContact O-N 3.06Å; L785-Q789 PolarHBondContact O-N 2.76Å
786F55.6Low54.7Low148 Ų148139.6 Ų139.665%0.64968%0.678SS**Hα-helixtrans-72.8-30175.2-137-91.3000112.8R782 R784 C790R782-F786 PolarHBondContact O-N 3.02Å; R784-F786 VanDerWaalsContact C-N 3.33Å; R784-F786 PolarHBondContact O-N 3.11Å; F786-C790 PolarHBondContact O-N 3.12Å; F786-C790 PolarHBondContact O-SG 3.19Å
787A56.8Low54.6Low63 Ų63143.3 Ų143.352%0.52168%0.682SS.*Hα-helixtrans-76.2-24.917500000112.9R784R784-A787 PolarHBondContact O-N 3.03Å
788E56.5Low54.2Low124 Ų124148.4 Ų148.458%0.57972%0.717SS**Hα-helixtrans-87.4-30.6176.7-69.9175.9176.200112.3R784 L785 L791R784-E788 PolarHBondContact O-N 2.97Å; L785-E788 PolarHBondContact O-N 3.06Å; E788-L791 PolarHBondContact O-N 2.84Å
789Q55.9Low53.8Low137 Ų137151.3 Ų151.364%0.6472%0.724SS**Hα-helixtrans-74.6-24.6175-89.1-177.4-22.600114.7L785 L791L785-Q789 PolarHBondContact O-N 2.76Å; Q789-L791 VanDerWaalsContact C-N 3.29Å; Q789-L791 PolarHBondContact O-N 3.28Å
790C52Low53.9Low78 Ų78151.8 Ų151.853%0.52772%0.723SS.*Hα-helixtrans-77.6-9.6175.4-71.50000114.1F786F786-C790 PolarHBondContact O-N 3.12Å; F786-C790 PolarHBondContact O-SG 3.19Å
791L48.9Very low53.6Low137 Ų137150.6 Ų150.672%0.71772%0.718SS**Hα-helixtrans-97.7-16.9174.4-82.9161.8000113.2E788 Q789E788-L791 PolarHBondContact O-N 2.84Å; Q789-L791 VanDerWaalsContact C-N 3.29Å; Q789-L791 PolarHBondContact O-N 3.28Å
792E43.8Very low53.2Low155 Ų155151.2 Ų151.272%0.72473%0.725SS**Hα-helixtrans-91-14.8-175.2-15489.2-152.200113.3
793T47.1Very low53Low114 Ų114149.4 Ų149.470%0.69973%0.727SS**SBendtrans-93.7-3.2-178.449.30000114.7
794V50.1Low52.5Low118 Ų118144.9 Ų144.972%0.71572%0.721SS**SBendtrans-93.2-6.5178.2179.50000112.8
795F51.3Low51.9Low191 Ų191141.4 Ų141.484%0.83872%0.721SS**SBendtrans-109.618-176-96.7-81000115.7
796R48.9Very low51.3Low217 Ų217145 Ų14582%0.81974%0.738SS**SBendtrans-123.610.9-175.1-123.3-176-161.5179.47.1117.1
797H48.4Very low51Low193 Ų193144.8 Ų144.889%0.89475%0.746SS**  trans-131.166171.7-85.316.4000110.6
798V52.2Low50.5Low210 Ų210152.2 Ų152.2100%1.27377%0.766SS**  trans-141.30151.4179.80000104.9

Retrieved 798 of 798 residues in 1314.2 ms (Link to these results)