A0A077ZEN0_TRITR Loading...

DUF4582 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 533 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
1M42Very low42.3Very low245 Ų245141.5 Ų141.5100%1.20785%0.852SS**  0168.40-77.2167167.800108
2A37Very low42.2Very low93 Ų93145.9 Ų145.977%0.76986%0.857SS**  trans-55.2148.1-170.800000112.5
3V38.1Very low42.1Very low138 Ų138144.4 Ų144.484%0.83685%0.851SS**  cis65.8127.842-174.90000111.7
4G48Very low42.4Very low70 Ų70143.3 Ų143.372%0.72285%0.85SS**  trans16696.1-178.200000111.3
5D44.2Very low41.9Very low153 Ų153140.8 Ų140.882%0.81884%0.842SS**  trans-70.5163.9171.6-53.6-83.6000111.4
6C45.6Very low42Very low133 Ų133143.3 Ų143.390%0.89985%0.846SS**  trans-140146.2170-85.60000110.3
7E43.7Very low41.9Very low191 Ų191140.9 Ų140.989%0.89384%0.835SS**  trans-94.8171.7-155.1-64.5-179.9105.100115.6
8F35.9Very low41.3Very low201 Ų201146.5 Ų146.588%0.88284%0.839SS**  trans-73.9131.8179.2-162.4-93.1000111.5
9V48.4Very low41.2Very low139 Ų139145.3 Ų145.384%0.84284%0.84SS**  trans-112.5128.3170.7179.90000108.8
10G38.3Very low40.9Very low57 Ų57146.2 Ų146.259%0.58884%0.841SS**  trans-130.6170.2179.700000113.3
11C44Very low40.7Very low136 Ų136145 Ų14592%0.91984%0.842SS**  trans-130.2140.4163.4-70.40000108.9
12Q40.8Very low40.3Very low195 Ų195137.6 Ų137.691%0.91181%0.814SS**  trans-102.7164.2-176.1-70.5-178-8.400112.3
13T41.2Very low40.4Very low126 Ų126140.7 Ų140.777%0.77381%0.813SS**  trans-73.8169.7170.7500000112.3
14P46.7Very low40.4Very low129 Ų129140.1 Ų140.184%0.83880%0.804SS**  trans-113.7139148.235-26.9000111.6
15S34.7Very low39.9Very low106 Ų106143.4 Ų143.474%0.74180%0.804SS**  trans-131.2134.1171.955.90000110.1
16M42.8Very low39.5Very low181 Ų181144.4 Ų144.489%0.89280%0.804SS**  trans-143.6161.7-176.1-87.8-63.6168.300110.5
17P40.2Very low39Very low102 Ų102143.1 Ų143.166%0.66280%0.797SS**  -129.4-169.3-126.442.6-27.1000115.4
18W31.6Very low38.7Very low242 Ų242140.4 Ų140.492%0.91779%0.793SS**  trans-67.5158.2-175.6-34.1-71.7000115.4
19S39.9Very low38.8Very low123 Ų123135.9 Ų135.986%0.8679%0.786SS**  trans-157.3154.8155.5-88.70000111.1
20L34.4Very low38.4Very low163 Ų163133.4 Ų133.485%0.85378%0.781SS**  trans-93.5163.4-173.7-59.286.3000112.3
21S37.8Very low38.6Very low123 Ų123139.7 Ų139.786%0.8679%0.794SS**  trans-151.2142.6133.3-153.80000111.1
22S33.9Very low38.1Very low89 Ų89140.5 Ų140.562%0.62279%0.79SS**  trans-113.4-155.5176.8-55.20000109.7
23E39Very low38Very low158 Ų158137.3 Ų137.374%0.73879%0.789SS**  trans76.2137.7173.1-53.8-62.887.100114.8
24L37.9Very low37.6Very low125 Ų125136.7 Ų136.765%0.65479%0.79SS**  cis-159.3141.5-2.7-96.9150.7000109.7
25L35.8Very low37.1Very low139 Ų139137.6 Ų137.673%0.72879%0.793SS**  trans55.6161.8147.6-58.3174.9000119.8
26Q36.4Very low37.1Very low175 Ų175137.4 Ų137.482%0.81879%0.792SS**  cis-148.41709.3-146.1156.222.500112.5
27S34.9Very low37Very low106 Ų106133.2 Ų133.274%0.74178%0.778SS**  trans-93.8159.3-165.7-33.70000116.7
28V38.6Very low36.9Very low133 Ų133137 Ų13781%0.80679%0.787SS**  trans-176.7108.9140.5141.20000105.6
29S37.7Very low36.9Very low106 Ų106129.3 Ų129.374%0.74178%0.782SS**  68142.779.3-58.50000113.9
30A40Very low36.8Very low88 Ų88129.2 Ų129.273%0.72778%0.781SS**  cis-167.3-173.4-19.200000106.4
31E41.8Very low36.7Very low188 Ų188127.3 Ų127.388%0.87978%0.782SS**  cis-139.9-173.39.4-63.7-179.6126.300110
32D34.8Very low36.6Very low154 Ų154126.9 Ų126.982%0.82478%0.779SS**  trans-78.1161-175.9-57.8-85000116.5
33S38.7Very low36.8Very low128 Ų128127.4 Ų127.490%0.89579%0.789SS**  -177146112.6370000113.4
34S30.9Very low36.8Very low113 Ų113128 Ų12879%0.7980%0.795SS**  trans-107.9148.9-175.256.50000112.7
35T38.2Very low37Very low147 Ų147124.7 Ų124.790%0.90279%0.791SS**  trans-169.8133141.9-75.90000110.1
36S34.3Very low37Very low102 Ų102123.9 Ų123.971%0.71379%0.794SS**  trans-119.5178.416568.60000107.2
37P39.7Very low36.7Very low94 Ų94123.8 Ų123.861%0.6179%0.792SS**  cis-144.1-154.518.737-11.7000114.7
38H39.4Very low37Very low182 Ų182124.5 Ų124.584%0.84379%0.791SS**  trans75.5132.2176.6-49.5-73.8000116.2
39G30.7Very low37.2Very low79 Ų79128 Ų12881%0.81479%0.79SS**  cis122.684-11.200000114.5
40S37.2Very low37.6Very low121 Ų121128.6 Ų128.685%0.84679%0.791SS**  trans-145.9138.616153.10000109.3
41S33.1Very low37.8Very low124 Ų124131.5 Ų131.587%0.86779%0.794SS**  trans-131.2108.3177.5-174.10000108.2A43S41-A43 PolarHBondContact O-N 3.32Å
42S36.5Very low37.7Very low114 Ų114130.6 Ų130.680%0.79780%0.796SS**  trans-91.899.9179.6-670000109.7
43A36.3Very low38.3Very low100 Ų100129.8 Ų129.883%0.82680%0.796SS**PPolyproline II helixtrans-63.3134.6169.400000110.3S41 G45S41-A43 PolarHBondContact O-N 3.32Å; A43-G45 PolarHBondContact O-N 2.83Å
44I40.3Very low38Very low169 Ų169128.9 Ų128.987%0.86779%0.79SS**PPolyproline II helixtrans-80.3117.6174.8-61.7174.3000107.8
45G40.7Very low38.4Very low56 Ų56129.9 Ų129.958%0.57779%0.791SS**PPolyproline II helixtrans-70.7161.7177.300000113.1A43A43-G45 PolarHBondContact O-N 2.83Å
46P37.4Very low38.1Very low123 Ų123128.9 Ų128.980%0.79979%0.788SS**PPolyproline II helixtrans-66.7143.5-177.628.4-35.1000112.3V48P46-V48 PolarHBondContact O-N 2.93Å
47F30.2Very low38.3Very low173 Ų173129.4 Ų129.476%0.75979%0.792SS**  trans-73.3114.2177.1-177.2-92.1000110.5W49F47-W49 AromaticContact CD1-CD1 3.68Å; F47-W49 AromaticContact CD1-NE1 3.78Å; F47-W49 AromaticContact CE1-CD1 3.7Å; F47-W49 HydrophobicContact CE1-CG 4.31Å; F47-W49 AromaticContact CE1-NE1 3.66Å
48V40.8Very low37.9Very low121 Ų121128.4 Ų128.473%0.73380%0.799SS**PPolyproline II helixtrans-90123.6176.8177.10000109.2P46P46-V48 PolarHBondContact O-N 2.93Å
49W42.4Very low37.8Very low207 Ų207128.4 Ų128.478%0.78480%0.804SS**PPolyproline II helixtrans-75146.2169.6-78.862.2000110.2F47F47-W49 AromaticContact CD1-CD1 3.68Å; F47-W49 AromaticContact CD1-NE1 3.78Å; F47-W49 AromaticContact CE1-CD1 3.7Å; F47-W49 HydrophobicContact CE1-CG 4.31Å; F47-W49 AromaticContact CE1-NE1 3.66Å
50P46.5Very low38.3Very low117 Ų117132.9 Ų132.976%0.7680%0.804SS**PPolyproline II helixtrans-72.1128173.330-33000110.7
51D43.7Very low38.5Very low149 Ų149135.2 Ų135.280%0.79781%0.807SS**PPolyproline II helixtrans-71130.3173-68.3-61.8000111.5V53D51-V53 PolarHBondContact O-N 3.23Å
52D40.8Very low38.7Very low170 Ų170133.2 Ų133.291%0.90981%0.806SS**  trans-67.7109.9170.8-87.7-44.9000110.4S54D52-S54 PolarHBondContact O-N 3.47Å
53V45.6Very low38.7Very low137 Ų137133 Ų13383%0.8380%0.804SS**  trans-69.8121.3-175.6-135.70000110.9D51 V55D51-V53 PolarHBondContact O-N 3.23Å; V53-V55 PolarHBondContact O-N 2.79Å
54S34.2Very low38.6Very low108 Ų108133.3 Ų133.376%0.75580%0.8SS**  trans-62.6125.5-176.159.30000113.3D52D52-S54 PolarHBondContact O-N 3.47Å
55V37.9Very low38.4Very low134 Ų134129.4 Ų129.481%0.81279%0.793SS**  trans-119.195.1159.5-177.70000108.6V53V53-V55 PolarHBondContact O-N 2.79Å
56C32Very low38.1Very low126 Ų126132.1 Ų132.185%0.85180%0.802SS**  trans-135.690.5173.8-81.40000108.5
57S38.5Very low38.2Very low113 Ų113134.1 Ų134.179%0.7980%0.798SS**  trans-130.1102.4-178.5-63.30000110.1
58G31.2Very low38.3Very low73 Ų73132 Ų13275%0.75380%0.795SS**  trans23.3118.9163.400000120.9
59L37.9Very low38.3Very low182 Ų182134.2 Ų134.295%0.95380%0.802SS**  -140.3131.7125.1-159.269.2000109.5
60E41.3Very low37.7Very low173 Ų173131.9 Ų131.981%0.80881%0.805SS**  trans-104.4159.7-175.1-64.5170.9124.500111
61D40.5Very low37.4Very low171 Ų171133.6 Ų133.691%0.91481%0.806SS**  trans50.4110.9165.2-63.6-21.4000120.2
62G37.5Very low37.2Very low82 Ų82131.3 Ų131.385%0.84580%0.802SS**  trans-155.553.6-177.900000115.1
63S36.7Very low36.9Very low108 Ų108127.3 Ų127.376%0.75579%0.792SS**  trans-24.6130-178-172.40000119.7
64S35.6Very low36.7Very low107 Ų107125.1 Ų125.175%0.74878%0.783SS**  trans72.1133136.865.50000123.3
65A34.7Very low37.3Very low87 Ų87126.3 Ų126.372%0.71979%0.786SS**  trans108.6121.213100000119.6
66C35.7Very low37.9Very low114 Ų114122.2 Ų122.277%0.7777%0.77SS**  trans71.6145.8151.5-64.70000119.4
67K38.4Very low39.4Very low164 Ų164120.7 Ų120.771%0.71376%0.757SS**  cis-170156.9-28.9-123.9175.5172.1-172.40109.8
68D32.9Very low41.1Very low129 Ų129121.1 Ų121.169%0.6975%0.751SS**  trans47.979.1148-48.6-27.3000119.1
69L40.2Very low43.4Very low168 Ų168123.1 Ų123.188%0.8874%0.744SS**  trans-121.596148-81.4-178.8000110.4I71L69-I71 PolarHBondContact O-N 2.91Å
70N30.8Very low45.5Very low158 Ų158117.5 Ų117.585%0.84571%0.713SS**  trans-81.294.8177.2179.920.8000110.3
71I40.6Very low47.3Very low153 Ų153113.1 Ų113.179%0.78570%0.695SS**  trans-86.7114.2170.7-60.7179.9000108.3L69 A73L69-I71 PolarHBondContact O-N 2.91Å; I71-A73 PolarHBondContact O-N 3.29Å
72S37.7Very low49.2Very low101 Ų101108 Ų10871%0.70668%0.676SS**  trans-59.4130.817852.20000112S74S72-S74 PolarHBondContact O-N 2.79Å
73A35.9Very low51.4Low85 Ų85111 Ų11170%0.70266%0.662SS**  trans-58.2127.2-179.400000112.8I71 T75I71-A73 PolarHBondContact O-N 3.29Å; A73-T75 VanDerWaalsContact C-N 3.29Å; A73-T75 PolarHBondContact O-N 3.21Å; A73-T75 VanDerWaalsContact O-N 3.13Å; A73-T75 PolarHBondContact O-OG1 3.05Å
74S41.4Very low53.7Low92 Ų92113 Ų11364%0.64365%0.653SS**  trans-86.365.1175.355.80000111S72 G76S72-S74 PolarHBondContact O-N 2.79Å; S74-G76 PolarHBondContact O-N 2.79Å
75T46.6Very low56Low133 Ų133111.7 Ų111.782%0.81664%0.64SS**THydrogen-bonded Turntrans-72.652-169.6-30.30000114.3A73A73-T75 VanDerWaalsContact C-N 3.29Å; A73-T75 PolarHBondContact O-N 3.21Å; A73-T75 VanDerWaalsContact O-N 3.13Å; A73-T75 PolarHBondContact O-OG1 3.05Å
76G49.9Very low58.3Low47 Ų47109 Ų10949%0.48562%0.621SS.*THydrogen-bonded Turntrans-167.97.8-177.400000116.4S74S74-G76 PolarHBondContact O-N 2.79Å
77T64.2Low60.5Low95 Ų95107.1 Ų107.158%0.58361%0.609SS**SBendtrans-82.1-34173.946.70000112.8D79 E80 L81T77-D79 PolarHBondContact O-N 3.13Å; T77-E80 WeakPolarHBondContact O-CB 3.45Å; T77-E80 PolarHBondContact O-N 3.11Å; T77-E80 VanDerWaalsContact O-N 3.1Å; T77-L81 PolarHBondContact O-N 3.18Å
78D72.9Confident62.5Low122 Ų122104 Ų10465%0.65260%0.599SS**Hα-helixtrans-62.1-44.7-176.1-133.5-21.6000112.2E80 L81 A82D78-E80 PolarHBondContact O-N 3.35Å; D78-L81 PolarHBondContact O-N 2.86Å; D78-A82 WeakPolarHBondContact O-CB 3.5Å; D78-A82 PolarHBondContact O-N 3.25Å
79D79.2Confident64.6Low115 Ų115102.4 Ų102.462%0.61559%0.59SS**Hα-helixtrans-64.3-22.6175.6-72.5-47.7000113.5T77 R83T77-D79 PolarHBondContact O-N 3.13Å; D79-R83 WeakPolarHBondContact O-CG 3.23Å; D79-R83 VanDerWaalsContact O-CZ 3.26Å; D79-R83 PolarHBondContact O-N 3.22Å; D79-R83 PolarHBondContact O-NE 3.16Å; D79-R83 PolarHBondContact O-NH2 3.37Å
80E82.4Confident66.3Low64 Ų6499.3 Ų99.330%0.29957%0.574SS.*Hα-helixtrans-82.1-41.8173.2177.369.5-16800110.9T77 D78 R83 R84T77-E80 WeakPolarHBondContact O-CB 3.45Å; T77-E80 PolarHBondContact O-N 3.11Å; T77-E80 VanDerWaalsContact O-N 3.1Å; D78-E80 PolarHBondContact O-N 3.35Å; E80-R83 VanDerWaalsContact CA-NH2 3.29Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-R83 IonicContact OE2-CZ 3.45Å; E80-R83 IonicContact OE2-NH1 2.79Å; E80-R83 PolarHBondContact OE2-NH1 3Å; E80-R83 IonicContact OE2-NH2 3.63Å; E80-R83 PolarHBondContact OE2-NH2 3.19Å; E80-R84 WeakPolarHBondContact O-CG 3.48Å; E80-R84 PolarHBondContact O-N 3.31Å; E80-R84 IonicContact OE1-CZ 2.73Å; E80-R84 IonicContact OE1-NE 2.72Å; E80-R84 PolarHBondContact OE1-NE 3.12Å; E80-R84 IonicContact OE1-NH2 3.14Å; E80-R84 PolarHBondContact OE1-NH2 3.33Å
81L79.8Confident68.5Low81 Ų8194.9 Ų94.942%0.42455%0.553SS.*Hα-helixtrans-59.3-51.7173.8-166.178.9000110.7T77 D78 R83 R84 V85T77-L81 PolarHBondContact O-N 3.18Å; D78-L81 PolarHBondContact O-N 2.86Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 2.88Å; L81-R84 PolarHBondContact O-N 3.44Å; L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 2.87Å
82A81.2Confident70.1Confident63 Ų6391.9 Ų91.952%0.52154%0.537SS..Hα-helixtrans-58.1-39.5179.300000112.8D78 G86D78-A82 WeakPolarHBondContact O-CB 3.5Å; D78-A82 PolarHBondContact O-N 3.25Å; A82-G86 PolarHBondContact O-N 3.44Å
83R83.5Confident71.7Confident146 Ų14692 Ų9255%0.55153%0.53SS*.Hα-helixtrans-70.2-36.3175-78.8-177.8-69.7100.40.9113D79 E80 L81 S87D79-R83 WeakPolarHBondContact O-CG 3.23Å; D79-R83 VanDerWaalsContact O-CZ 3.26Å; D79-R83 PolarHBondContact O-N 3.22Å; D79-R83 PolarHBondContact O-NE 3.16Å; D79-R83 PolarHBondContact O-NH2 3.37Å; E80-R83 VanDerWaalsContact CA-NH2 3.29Å; E80-R83 PolarHBondContact O-N 3.41Å; E80-R83 IonicContact OE2-CZ 3.45Å; E80-R83 IonicContact OE2-NH1 2.79Å; E80-R83 PolarHBondContact OE2-NH1 3Å; E80-R83 IonicContact OE2-NH2 3.63Å; E80-R83 PolarHBondContact OE2-NH2 3.19Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 2.88Å; R83-S87 WeakPolarHBondContact O-CB 3.36Å; R83-S87 PolarHBondContact O-N 3.38Å
84R83.4Confident73.3Confident149 Ų14994 Ų9456%0.56253%0.525SS*.Hα-helixtrans-67.2-48.8175-73.8175.9-174.8-158.92.9111.7E80 L81 G86 S87 I88E80-R84 WeakPolarHBondContact O-CG 3.48Å; E80-R84 PolarHBondContact O-N 3.31Å; E80-R84 IonicContact OE1-CZ 2.73Å; E80-R84 IonicContact OE1-NE 2.72Å; E80-R84 PolarHBondContact OE1-NE 3.12Å; E80-R84 IonicContact OE1-NH2 3.14Å; E80-R84 PolarHBondContact OE1-NH2 3.33Å; L81-R84 PolarHBondContact O-N 3.44Å; R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 3.02Å; R84-S87 PolarHBondContact O-N 2.69Å; R84-S87 VanDerWaalsContact O-N 3.14Å; R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 2.84Å
85V83.8Confident74.4Confident79 Ų7995.1 Ų95.148%0.47952%0.523SS..Hα-helixtrans-58.5-45.4176.5172.80000110.6L81 S87 I88 L89L81-V85 WeakPolarHBondContact O-CG2 3.48Å; L81-V85 PolarHBondContact O-N 2.87Å; V85-S87 PolarHBondContact O-N 3.16Å; V85-I88 PolarHBondContact O-N 2.73Å; V85-L89 HydrophobicContact CG1-CD1 4.14Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 PolarHBondContact O-N 2.91Å
86G84.4Confident74.8Confident32 Ų3294.6 Ų94.633%0.3352%0.515SS..Hα-helixtrans-61.3-39.6174.500000113.8A82 R84 L90A82-G86 PolarHBondContact O-N 3.44Å; R84-G86 VanDerWaalsContact C-N 3.33Å; R84-G86 PolarHBondContact O-N 3.02Å; G86-L90 PolarHBondContact O-N 3.39Å
87S81.3Confident74.9Confident74 Ų7497.3 Ų97.352%0.51753%0.527SS..Hα-helixtrans-67.4-39.4176.4-169.60000112.7R83 R84 V85 L90 T91R83-S87 WeakPolarHBondContact O-CB 3.36Å; R83-S87 PolarHBondContact O-N 3.38Å; R84-S87 PolarHBondContact O-N 2.69Å; R84-S87 VanDerWaalsContact O-N 3.14Å; V85-S87 PolarHBondContact O-N 3.16Å; S87-L90 PolarHBondContact O-N 3.16Å; S87-T91 PolarHBondContact O-N 3.36Å; S87-T91 VanDerWaalsContact O-N 3.12Å; S87-T91 PolarHBondContact O-OG1 3.27Å
88I80.2Confident74.3Confident98 Ų9897.1 Ų97.150%0.50353%0.53SS..Hα-helixtrans-68.2-43179-68.7163.4000110.2R84 V85 L90 T91 I92R84-I88 WeakPolarHBondContact O-CG1 3.49Å; R84-I88 PolarHBondContact O-N 2.84Å; V85-I88 PolarHBondContact O-N 2.73Å; I88-L90 VanDerWaalsContact C-N 3.33Å; I88-L90 PolarHBondContact O-N 2.72Å; I88-T91 WeakPolarHBondContact CA-OG1 3.33Å; I88-T91 PolarHBondContact O-N 2.78Å; I88-T91 PolarHBondContact O-OG1 3Å; I88-I92 HydrophobicContact CG2-CD1 3.89Å; I88-I92 WeakPolarHBondContact O-CG1 3.47Å; I88-I92 PolarHBondContact O-N 2.77Å; I88-I92 VanDerWaalsContact O-N 3.08Å
89L76.7Confident73Confident96 Ų9695.7 Ų95.750%0.50353%0.529SS..Hα-helixtrans-61.2-38.4174-93.1159.5000112.7V85 L93V85-L89 HydrophobicContact CG1-CD1 4.14Å; V85-L89 WeakPolarHBondContact O-CB 3.32Å; V85-L89 PolarHBondContact O-N 2.91Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 3.22Å
90L76.5Confident71.3Confident102 Ų10298.2 Ų98.253%0.53454%0.543SS..Hα-helixtrans-62.2-49172.6-107.775.5000111.6G86 S87 I88 I92 L93 E94G86-L90 PolarHBondContact O-N 3.39Å; S87-L90 PolarHBondContact O-N 3.16Å; I88-L90 VanDerWaalsContact C-N 3.33Å; I88-L90 PolarHBondContact O-N 2.72Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 2.98Å; L90-L93 PolarHBondContact O-N 3.11Å; L90-E94 WeakPolarHBondContact O-CB 3.34Å; L90-E94 WeakPolarHBondContact O-CG 3.39Å; L90-E94 PolarHBondContact O-N 3.4Å
91T76.5Confident69.3Low66 Ų66100 Ų10041%0.40557%0.568SS.*Hα-helixtrans-60.4-39-178.847.30000113.1S87 I88 E94 D95S87-T91 PolarHBondContact O-N 3.36Å; S87-T91 VanDerWaalsContact O-N 3.12Å; S87-T91 PolarHBondContact O-OG1 3.27Å; I88-T91 WeakPolarHBondContact CA-OG1 3.33Å; I88-T91 PolarHBondContact O-N 2.78Å; I88-T91 PolarHBondContact O-OG1 3Å; T91-E94 PolarHBondContact O-N 3.48Å; T91-D95 WeakPolarHBondContact O-CB 3.43Å; T91-D95 PolarHBondContact O-N 3.15Å
92I74.4Confident67.4Low89 Ų89100.5 Ų100.546%0.45658%0.584SS.*Hα-helixtrans-64.2-43.8177.2-66.2164.2000111I88 L90 D96I88-I92 HydrophobicContact CG2-CD1 3.89Å; I88-I92 WeakPolarHBondContact O-CG1 3.47Å; I88-I92 PolarHBondContact O-N 2.77Å; I88-I92 VanDerWaalsContact O-N 3.08Å; L90-I92 VanDerWaalsContact C-N 3.31Å; L90-I92 PolarHBondContact O-N 2.98Å; I92-D96 PolarHBondContact O-N 2.82Å; I92-D96 VanDerWaalsContact O-N 3.1Å
93L72.1Confident65.4Low105 Ų105106.1 Ų106.155%0.5560%0.6SS.*Hα-helixtrans-72.2-29.1179.8-67.5170.5000113.2L89 L90 S97L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 3.22Å; L90-L93 PolarHBondContact O-N 3.11Å; L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 3.08Å; L93-S97 PolarHBondContact O-OG 3.45Å
94E69.8Low63.2Low126 Ų126108.8 Ų108.859%0.58962%0.618SS**Hα-helixtrans-74.5-40174.3-73.1177.8178.400111.7L90 T91 S97L90-E94 WeakPolarHBondContact O-CB 3.34Å; L90-E94 WeakPolarHBondContact O-CG 3.39Å; L90-E94 PolarHBondContact O-N 3.4Å; T91-E94 PolarHBondContact O-N 3.48Å; E94-S97 PolarHBondContact O-N 2.91Å
95D62.8Low60.9Low116 Ų116106.7 Ų106.762%0.6263%0.626SS**Hα-helixtrans-65.7-47.8176-79-29.4000111.9T91 S97 S98T91-D95 WeakPolarHBondContact O-CB 3.43Å; T91-D95 PolarHBondContact O-N 3.15Å; D95-S97 PolarHBondContact O-N 3.41Å; D95-S97 VanDerWaalsContact O-N 3.16Å; D95-S98 WeakPolarHBondContact O-CB 3.22Å; D95-S98 PolarHBondContact O-N 3.12Å; D95-S98 VanDerWaalsContact O-N 3.16Å; D95-S98 PolarHBondContact O-OG 3.35Å
96D55.8Low58.5Low121 Ų121110.6 Ų110.665%0.64764%0.644SS**Hα-helixtrans-61.1-23.9177.5-86.2-21000113.1I92 S98I92-D96 PolarHBondContact O-N 2.82Å; I92-D96 VanDerWaalsContact O-N 3.1Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 3.26Å
97S52.4Low55.9Low105 Ų105114.8 Ų114.873%0.73467%0.667SS**THydrogen-bonded Turntrans-79.4-1.2179.6-63.40000114.5L93 E94 D95L93-S97 WeakPolarHBondContact O-CB 3.38Å; L93-S97 PolarHBondContact O-N 3.08Å; L93-S97 PolarHBondContact O-OG 3.45Å; E94-S97 PolarHBondContact O-N 2.91Å; D95-S97 PolarHBondContact O-N 3.41Å; D95-S97 VanDerWaalsContact O-N 3.16Å
98S50.3Low53.7Low90 Ų90118.9 Ų118.963%0.62968%0.683SS**THydrogen-bonded Turntrans-105.5-8.9-165.772.60000116.5D95 D96D95-S98 WeakPolarHBondContact O-CB 3.22Å; D95-S98 PolarHBondContact O-N 3.12Å; D95-S98 VanDerWaalsContact O-N 3.16Å; D95-S98 PolarHBondContact O-OG 3.35Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 3.26Å
99S45.9Very low51.6Low92 Ų92119.6 Ų119.664%0.64370%0.696SS**SBendtrans-96.5-20.3-158.954.10000116.4
100D43.6Very low49.7Very low169 Ų169122.1 Ų122.190%0.90471%0.71SS**SBendtrans-106.627.5-162.4-125.4-5.8000115.2
101A41.2Very low48.1Very low101 Ų101126.8 Ų126.884%0.83573%0.729SS**SBendtrans-131.826.9-170.100000115.7
102A40.5Very low46.2Very low91 Ų91133 Ų13375%0.75275%0.751SS**SBendtrans-136.811.9-168.500000118
103Q39.2Very low44.5Very low182 Ų182135.7 Ų135.785%0.8576%0.761SS**  trans-140.177.1176.9-67-166.212.200114.4
104H36.2Very low43Very low201 Ų201138.8 Ų138.893%0.93177%0.771SS**SBendtrans-168.865.4155.1-106.1-62.1000113.7
105S34.8Very low41.4Very low105 Ų105140.2 Ų140.273%0.73478%0.779SS**  trans-163.1159.9163.153.30000112.3
106N33.8Very low40.2Very low162 Ų162142.3 Ų142.387%0.86679%0.789SS**  trans63.770169.1-62-5.1000117.3
107C29.3Very low39.2Very low120 Ų120142.3 Ų142.381%0.81180%0.796SS**  trans-150.5153.8136.6-149.50000110.7
108L35Very low38.5Very low160 Ų160142.5 Ų142.584%0.83880%0.797SS**  trans66.289177.7-51.1179.1000117.1
109S36.4Very low37.9Very low112 Ų112147.1 Ų147.178%0.78381%0.809SS**  -170.2160125.8-79.20000111.2
110D37.1Very low37.5Very low150 Ų150148.3 Ų148.380%0.80282%0.817SS**  trans5391.8162.9-57.7-22.5000120.1
111E43.2Very low37.3Very low199 Ų199147.1 Ų147.193%0.9382%0.816SS**  -153.1114.7107.5-134.3-175.6133.500112.6
112F37.2Very low37.1Very low196 Ų196145.7 Ų145.786%0.8681%0.812SS**  trans-103.6109.7172.7-104.8-91000109.8
113Q38.8Very low37.2Very low146 Ų146146.9 Ų146.968%0.68281%0.812SS**  trans169.6134131.3-97165.673.100115.4
114K40.1Very low37.1Very low171 Ų171148.8 Ų148.874%0.74382%0.818SS**  trans67.9151.7154.8-59.5154.2180147.80117
115M36.8Very low37.1Very low155 Ų155144.7 Ų144.776%0.76481%0.811SS**  cis-165127.1-24.2-108.3-67.2-170.400107.2
116L36Very low37.5Very low160 Ų160145.9 Ų145.984%0.83882%0.816SS**  trans61.2136.8159.8-66.6159.3000120.2
117P35.8Very low37.6Very low122 Ų122146.7 Ų146.779%0.79282%0.82SS**  trans-112.6154.6172.739.7-31.6000115.2
118S38.2Very low37.7Very low108 Ų108146.5 Ų146.576%0.75582%0.818SS**  trans-160.1114.1159.749.70000108.9
119E37Very low37.9Very low188 Ų188142.2 Ų142.288%0.87981%0.813SS**  90.2148.286-80.8-155.1107.800115.6
120S37.1Very low37.9Very low117 Ų117142.1 Ų142.182%0.81881%0.813SS**  trans78.7151.7178.580.40000118.8
121T40.7Very low37.8Very low144 Ų144140.4 Ų140.488%0.88381%0.811SS**  cis-175.3139.3-38-93.30000108.5
122G35.2Very low37.6Very low71 Ų71138.4 Ų138.473%0.73281%0.806SS**  trans118115.615500000118.6
123P43.6Very low37.6Very low116 Ų116134.3 Ų134.375%0.75380%0.802SS**  trans-117.9158.7173.539.7-29.8000114.5
124F36.6Very low37.5Very low222 Ų222130.8 Ų130.897%0.97481%0.805SS**  trans-152.2160.7163.1-92.5-69.5000113.2
125S37Very low37.5Very low114 Ų114132.4 Ų132.480%0.79782%0.815SS**  trans-115.9162.1-166.5-59.80000113.6
126P43.2Very low37.3Very low130 Ų130134 Ų13484%0.84482%0.818SS**  trans-88.2172.1-17236.1-37.6000115
127L35.9Very low37.2Very low180 Ų180131.3 Ų131.394%0.94281%0.81SS**  trans-141.6160.8179.6-131.9141.7000112.4
128C31.3Very low37.2Very low115 Ų115131.6 Ų131.678%0.77781%0.81SS**  trans-93.5165.6-166.7-170.10000114.4
129G37.9Very low37Very low70 Ų70131.6 Ų131.672%0.72281%0.81SS**  trans-155.6135.2169.500000113.6
130S37.4Very low37.2Very low111 Ų111127.8 Ų127.878%0.77680%0.802SS**  trans-145.3140.8-179.2-59.30000111.5
131C35.5Very low37.1Very low114 Ų114128 Ų12877%0.7780%0.798SS**  trans-150.2128.6170.9-85.40000109.3
132L38.3Very low36.9Very low156 Ų156126.7 Ų126.782%0.81779%0.785SS**  63.6139.693.9-58172.5000114.9
133S37.2Very low37.1Very low111 Ų111131.4 Ų131.478%0.77679%0.786SS**  cis-174.6156.8-17.2-101.10000111
134G36.8Very low36.6Very low72 Ų72130 Ų13074%0.74278%0.784SS**  trans87.1161.3163.700000117.3
135E39.5Very low36.5Very low204 Ų204126.5 Ų126.595%0.95378%0.775SS**  cis-144.1-156.5-11.3-71.7-152.7107.600111
136K32.5Very low36.4Very low190 Ų190127.9 Ų127.983%0.82677%0.773SS**  trans-143.6143.6-156166.1-170.1173-172.10113.3
137C34.4Very low35.9Very low102 Ų102125.5 Ų125.569%0.68976%0.759SS**  trans168.2117.3141.6-95.50000113.2
138T36.3Very low35.8Very low128 Ų128123.3 Ų123.379%0.78575%0.748SS**  78.1127.7103.461.50000118.6
139S32.9Very low36.1Very low109 Ų109125.7 Ų125.776%0.76275%0.751SS**  trans-93.6-172.7163.870.10000110.3
140P41.3Very low35.9Very low107 Ų107129.6 Ų129.670%0.69575%0.754SS**  cis-152.1172.444.345.7-24.3000119.5
141V34.9Very low35.9Very low123 Ų123128 Ų12875%0.74576%0.755SS**  trans41.4123.1135.1174.20000121.5
142D37.3Very low35.7Very low115 Ų115129.8 Ų129.862%0.61576%0.757SS**  -170.1136.7114.8-116-7.1000119.1
143K38.9Very low35.7Very low170 Ų170128.3 Ų128.374%0.73976%0.759SS**  trans44.5145.4139.4-68.7169.1-17285.90125.8
144A33.8Very low35.7Very low87 Ų87128.6 Ų128.672%0.71976%0.761SS**  trans80.9149.6136.700000121
145L35Very low36.1Very low148 Ų148131.4 Ų131.478%0.77577%0.77SS**  cis-167.4154.2-15.4-103.2171.1000108.5
146L34.7Very low36Very low144 Ų144124.8 Ų124.875%0.75476%0.756SS**  trans54.4160.8161.2-83.379.4000118.9
147S31.7Very low36.3Very low80 Ų80122 Ų12256%0.55976%0.757SS**  cis170172.7-44.749.60000108.4
148D34.3Very low36.5Very low133 Ų133124 Ų12471%0.71177%0.766SS**  trans92.1150.8149.4-57.4-45.1000123.4
149I38.3Very low36.4Very low165 Ų165123.3 Ų123.385%0.84677%0.767SS**  trans90.6116.6166.9-60.7130.1000117.6
150I33.5Very low36.7Very low153 Ų153122.7 Ų122.779%0.78577%0.768SS**  trans-95.3159.2-179.6-67155.3000109.4
151G36Very low36.5Very low76 Ų76126 Ų12678%0.78478%0.776SS**  trans-153.767.3174.900000114.5
152D31.9Very low36.7Very low153 Ų153124.9 Ų124.982%0.81877%0.772SS**  trans-74144.2169.2-73.4-51.7000112.1
153S39Very low36.8Very low124 Ų124127.1 Ų127.187%0.86778%0.779SS**  trans-159.6148.115644.10000111.2
154S37.8Very low36.5Very low117 Ų117124.2 Ų124.282%0.81878%0.775SS**  trans-140150.6-166.360.70000113.5
155S45.3Very low36.4Very low131 Ų131129.7 Ų129.792%0.91678%0.783SS**  trans165.2158.4164.138.70000108.2
156G36.6Very low36.4Very low65 Ų65130.5 Ų130.567%0.6779%0.787SS**  cis161112.4-4.600000109.4
157P39.3Very low36.6Very low131 Ų131129.1 Ų129.185%0.85179%0.79SS**  trans-93150.3-164.835.1-35.8000114.7
158V38.3Very low36.7Very low144 Ų144132.7 Ų132.787%0.87380%0.803SS**  trans-140131.4171.1-176.40000112.8
159S34.5Very low36.8Very low115 Ų115132 Ų13280%0.80481%0.808SS**  trans-26.7138.6170.2-172.60000120.5
160A38.7Very low36.6Very low95 Ų95130.2 Ų130.279%0.78581%0.81SS**  -158.3149.7128.800000112
161M35.7Very low36.9Very low176 Ų176127.7 Ų127.787%0.86781%0.807SS**  trans-161170.8-177.4-100.5-79.4-167.300107.1
162P41Very low37.2Very low101 Ų101129.1 Ų129.166%0.65680%0.804SS**  cis-134.1-162.6-5.428.6-3.5000113.7
163E37.5Very low37.7Very low162 Ų162132 Ų13276%0.75781%0.81SS**  trans119.3118.8142.4-58.3-130.2117.400118.9
164T32.8Very low38.2Very low109 Ų109130.5 Ų130.567%0.66979%0.792SS**  trans38.5113.4148.862.80000120.1
165F32.9Very low39.1Very low202 Ų202128.6 Ų128.689%0.88678%0.777SS**  -150.4151.3107.4-98.1-68.9000110.1
166L35.6Very low39.6Very low164 Ų164127.1 Ų127.186%0.85976%0.764SS**  trans-72.4128.8176.3-65.9165.8000109.3
167S37.1Very low40.7Very low116 Ų116128.7 Ų128.781%0.81176%0.76SS**  trans-108.4102169.9-65.20000108.2S169S167-S169 PolarHBondContact O-N 3.18Å
168D34.3Very low42.1Very low154 Ų154125.3 Ų125.382%0.82474%0.737SS**  trans-60.8132.4175.6-70.6-52.9000110.5S170D168-S170 PolarHBondContact O-N 3.34Å
169S36.5Very low43Very low118 Ų118122.7 Ų122.783%0.82572%0.715SS**  trans-58.8130.7-179.1-600000111.2S167 S171S167-S169 PolarHBondContact O-N 3.18Å; S169-S171 PolarHBondContact O-N 3.2Å
170S34.5Very low44.1Very low128 Ų128123 Ų12390%0.89570%0.704SS**  trans-55100.8180-53.80000112.1D168D168-S170 PolarHBondContact O-N 3.34Å
171S39.2Very low45.5Very low101 Ų101122.5 Ų122.571%0.70669%0.688SS**  trans-66134.517058.60000109.6S169 F173S169-S171 PolarHBondContact O-N 3.2Å; S171-F173 PolarHBondContact O-N 3.32Å
172S43.3Very low47Very low105 Ų105117.1 Ų117.173%0.73467%0.665SS**  trans-54.8134.4-178.941.20000112.2L174S172-L174 PolarHBondContact O-N 2.89Å
173F42.3Very low47.8Very low214 Ų214119.7 Ų119.794%0.93966%0.662SS**  trans-7372.1177.6-90.1-93.7000111.1S171S171-F173 PolarHBondContact O-N 3.32Å
174L50.1Low48.6Very low92 Ų92115.7 Ų115.748%0.48265%0.645SS.*  trans-60137.8157.3-71177.8000108.5S172 V178S172-L174 PolarHBondContact O-N 2.89Å; L174-V178 HydrophobicContact CB-CB 4.41Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 HydrophobicContact CD2-CG1 4.31Å
175P55.4Low49.7Very low77 Ų77117.1 Ų117.150%0.564%0.644SS.*  trans-55141.7174.3-25.534.1000110.2V177 V178 E179P175-V177 PolarHBondContact O-N 3.41Å; P175-V178 HydrophobicContact CB-CG2 4.31Å; P175-V178 HydrophobicContact CG-CG2 4.34Å; P175-V178 WeakPolarHBondContact O-CB 3.23Å; P175-V178 PolarHBondContact O-N 3.46Å; P175-E179 PolarHBondContact O-N 2.97Å
176P55.6Low50.8Low100 Ų100113.8 Ų113.865%0.64963%0.633SS**Hα-helixtrans-54.4-27.4-174.5-30.135.7000114.5Q180P176-Q180 VanDerWaalsContact O-CB 3.29Å; P176-Q180 WeakPolarHBondContact O-CB 3.36Å; P176-Q180 WeakPolarHBondContact O-CG 3.39Å; P176-Q180 PolarHBondContact O-N 3.27Å
177V61.1Low51.5Low98 Ų98110.6 Ų110.659%0.59462%0.62SS**Hα-helixtrans-63.9-39.2174.1-176.20000112.3P175 L181P175-V177 PolarHBondContact O-N 3.41Å; V177-L181 WeakPolarHBondContact O-CB 3.47Å; V177-L181 PolarHBondContact O-N 2.72Å
178V66.8Low52.1Low61 Ų61110.7 Ų110.737%0.3761%0.608SS.*Hα-helixtrans-74.4-42.3179.9-176.60000110.5L174 P175 Q180 L181 V182L174-V178 HydrophobicContact CB-CB 4.41Å; L174-V178 HydrophobicContact CD1-CG1 4.31Å; L174-V178 HydrophobicContact CD2-CG1 4.31Å; P175-V178 HydrophobicContact CB-CG2 4.31Å; P175-V178 HydrophobicContact CG-CG2 4.34Å; P175-V178 WeakPolarHBondContact O-CB 3.23Å; P175-V178 PolarHBondContact O-N 3.46Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; V178-Q180 PolarHBondContact O-N 2.86Å; V178-L181 PolarHBondContact O-N 3.4Å; V178-L181 VanDerWaalsContact O-N 3.15Å; V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.1Å
179E58.4Low52.7Low88 Ų88106.5 Ų106.541%0.41159%0.588SS.*Hα-helixtrans-62.7-42.2175.3-158.6-148.7143.700111.3P175 L181 V182 R183P175-E179 PolarHBondContact O-N 2.97Å; E179-L181 PolarHBondContact O-N 3.23Å; E179-V182 PolarHBondContact O-N 2.98Å; E179-R183 WeakPolarHBondContact O-CB 3.48Å; E179-R183 VanDerWaalsContact O-CG 3.25Å; E179-R183 WeakPolarHBondContact O-CG 3.13Å; E179-R183 PolarHBondContact O-N 3.15Å; E179-R183 WeakPolarHBondContact OE1-CD 3.48Å; E179-R183 IonicContact OE1-CZ 3.77Å; E179-R183 IonicContact OE1-NE 3.82Å; E179-R183 IonicContact OE1-NH1 3.52Å; E179-R183 PolarHBondContact OE1-NH1 2.97Å
180Q58Low52.9Low121 Ų121105 Ų10557%0.56558%0.583SS**Hα-helixtrans-58.2-45.1171-74.3-80.5-4200111.6P176 V178 R183 L184P176-Q180 VanDerWaalsContact O-CB 3.29Å; P176-Q180 WeakPolarHBondContact O-CB 3.36Å; P176-Q180 WeakPolarHBondContact O-CG 3.39Å; P176-Q180 PolarHBondContact O-N 3.27Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; V178-Q180 PolarHBondContact O-N 2.86Å; Q180-R183 PolarHBondContact O-N 3.48Å; Q180-L184 VanDerWaalsContact O-CB 3.24Å; Q180-L184 WeakPolarHBondContact O-CB 3.36Å; Q180-L184 VanDerWaalsContact O-CG 3.24Å; Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 3.29Å
181L68.4Low53.1Low85 Ų85103.8 Ų103.845%0.44557%0.574SS.*Hα-helixtrans-62.7-46.4-179.8-153.475.5000111.8V177 V178 E179 L184 Q185V177-L181 WeakPolarHBondContact O-CB 3.47Å; V177-L181 PolarHBondContact O-N 2.72Å; V178-L181 PolarHBondContact O-N 3.4Å; V178-L181 VanDerWaalsContact O-N 3.15Å; E179-L181 PolarHBondContact O-N 3.23Å; L181-L184 PolarHBondContact O-N 2.94Å; L181-Q185 VanDerWaalsContact O-CB 3.27Å; L181-Q185 WeakPolarHBondContact O-CB 3.46Å; L181-Q185 PolarHBondContact O-N 3.36Å
182V66Low53.2Low64 Ų64104.8 Ų104.839%0.38858%0.578SS.*Hα-helixtrans-62.5-44.8176.7173.80000111.1V178 E179 Q185 M186V178-V182 WeakPolarHBondContact O-CG2 3.39Å; V178-V182 PolarHBondContact O-N 3.1Å; E179-V182 PolarHBondContact O-N 2.98Å; V182-Q185 PolarHBondContact O-N 2.97Å; V182-M186 HydrophobicContact CG1-CE 3.87Å; V182-M186 HydrophobicContact CG1-SD 4.18Å; V182-M186 WeakPolarHBondContact O-CG 3.46Å; V182-M186 PolarHBondContact O-N 3.17Å
183R57.6Low53.1Low155 Ų155104.5 Ų104.559%0.58558%0.576SS**Hα-helixtrans-68.6-36.9179.8-68.2174.679.9145.37.3112.1E179 Q180 T187E179-R183 WeakPolarHBondContact O-CB 3.48Å; E179-R183 VanDerWaalsContact O-CG 3.25Å; E179-R183 WeakPolarHBondContact O-CG 3.13Å; E179-R183 PolarHBondContact O-N 3.15Å; E179-R183 WeakPolarHBondContact OE1-CD 3.48Å; E179-R183 IonicContact OE1-CZ 3.77Å; E179-R183 IonicContact OE1-NE 3.82Å; E179-R183 IonicContact OE1-NH1 3.52Å; E179-R183 PolarHBondContact OE1-NH1 2.97Å; Q180-R183 PolarHBondContact O-N 3.48Å; R183-T187 WeakPolarHBondContact O-CB 3.48Å; R183-T187 WeakPolarHBondContact O-CG2 3.28Å; R183-T187 PolarHBondContact O-N 2.99Å; R183-T187 PolarHBondContact O-OG1 2.87Å
184L54.1Low53Low78 Ų78102.2 Ų102.241%0.40857%0.574SS.*Hα-helixtrans-66.3-42.9172.9-77.3168.1000111.9Q180 L181 T187 Q188Q180-L184 VanDerWaalsContact O-CB 3.24Å; Q180-L184 WeakPolarHBondContact O-CB 3.36Å; Q180-L184 VanDerWaalsContact O-CG 3.24Å; Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 3.29Å; L181-L184 PolarHBondContact O-N 2.94Å; L184-T187 WeakPolarHBondContact CA-OG1 3.43Å; L184-T187 PolarHBondContact O-N 3.43Å; L184-T187 PolarHBondContact O-OG1 2.93Å; L184-Q188 WeakPolarHBondContact O-CB 3.33Å; L184-Q188 WeakPolarHBondContact O-CG 3.41Å; L184-Q188 PolarHBondContact O-N 3.24Å; L184-Q188 PolarHBondContact O-NE2 3.18Å
185Q57.1Low52.6Low139 Ų139104.6 Ų104.665%0.6559%0.587SS**Hα-helixtrans-65.6-38.4177.4-173.6169.5-30.500111.9L181 V182 T189L181-Q185 VanDerWaalsContact O-CB 3.27Å; L181-Q185 WeakPolarHBondContact O-CB 3.46Å; L181-Q185 PolarHBondContact O-N 3.36Å; V182-Q185 PolarHBondContact O-N 2.97Å; Q185-T189 WeakPolarHBondContact O-CG2 3.24Å
186M55.3Low51.7Low131 Ų131104.8 Ų104.865%0.64560%0.603SS**Hα-helixtrans-67.8-48.7174-72.5-179.3176.800112.1V182 T189V182-M186 HydrophobicContact CG1-CE 3.87Å; V182-M186 HydrophobicContact CG1-SD 4.18Å; V182-M186 WeakPolarHBondContact O-CG 3.46Å; V182-M186 PolarHBondContact O-N 3.17Å; M186-T189 PolarHBondContact O-N 3.46Å; M186-T189 PolarHBondContact O-OG1 3.14Å
187T50.6Low50.9Low97 Ų97107.6 Ų107.660%0.59561%0.612SS**Hα-helixtrans-69.9-32-175.548.90000114.5R183 L184 T189 A190R183-T187 WeakPolarHBondContact O-CB 3.48Å; R183-T187 WeakPolarHBondContact O-CG2 3.28Å; R183-T187 PolarHBondContact O-N 2.99Å; R183-T187 PolarHBondContact O-OG1 2.87Å; L184-T187 WeakPolarHBondContact CA-OG1 3.43Å; L184-T187 PolarHBondContact O-N 3.43Å; L184-T187 PolarHBondContact O-OG1 2.93Å; T187-T189 VanDerWaalsContact C-N 3.27Å; T187-T189 PolarHBondContact O-N 3.07Å; T187-A190 PolarHBondContact O-N 2.99Å
188Q50.5Low49.7Very low119 Ų119109.3 Ų109.356%0.55662%0.624SS**Hα-helixtrans-73.4-14.9179.2-73.517765.400114.1L184 A190L184-Q188 WeakPolarHBondContact O-CB 3.33Å; L184-Q188 WeakPolarHBondContact O-CG 3.41Å; L184-Q188 PolarHBondContact O-N 3.24Å; L184-Q188 PolarHBondContact O-NE2 3.18Å; Q188-A190 PolarHBondContact O-N 3.02Å
189T45.3Very low48.4Very low66 Ų66118.8 Ų118.841%0.40565%0.653SS.*THydrogen-bonded Turntrans-776.3175.965.30000114.7Q185 M186 T187 K486Q185-T189 WeakPolarHBondContact O-CG2 3.24Å; M186-T189 PolarHBondContact O-N 3.46Å; M186-T189 PolarHBondContact O-OG1 3.14Å; T187-T189 VanDerWaalsContact C-N 3.27Å; T187-T189 PolarHBondContact O-N 3.07Å; T189-K486 PolarHBondContact OG1-NZ 2.97Å
190A40.5Very low47.2Very low86 Ų86120.2 Ų120.271%0.71167%0.672SS**  trans-99.348.2177.100000112.8T187 Q188T187-A190 PolarHBondContact O-N 2.99Å; Q188-A190 PolarHBondContact O-N 3.02Å
191S38.8Very low46.4Very low102 Ų102119.9 Ų119.971%0.71368%0.683SS**PPolyproline II helixtrans-98.6126.6172.1-66.40000110.5
192P42.6Very low44.9Very low122 Ų122121.6 Ų121.679%0.79270%0.702SS**PPolyproline II helixtrans-71.9132-177.728.8-34000111.5N194P192-N194 PolarHBondContact O-N 3.06Å
193S41.2Very low43.4Very low100 Ų100128.7 Ų128.770%0.69973%0.728SS**PPolyproline II helixtrans-73.7122.3172.4540000110.6N195S193-N195 PolarHBondContact O-N 2.99Å
194N39.7Very low42.3Very low166 Ų166127 Ų12789%0.88874%0.74SS**  trans-63.493.9174.3-85.7-20.2000111.6P192P192-N194 PolarHBondContact O-N 3.06Å
195N42.3Very low41.4Very low141 Ų141128 Ų12875%0.75475%0.753SS**  trans-91.8128.9148.9-68.9-15.6000106.8S193 D197S193-N195 PolarHBondContact O-N 2.99Å; N195-D197 PolarHBondContact O-N 3.03Å
196G35.2Very low40.4Very low81 Ų81126.3 Ų126.384%0.83575%0.753SS**  trans-82.798.3-16700000113.8
197D40.1Very low39.2Very low159 Ų159127 Ų12785%0.8576%0.759SS**  trans-122.9129.6164-87.6-58.4000110.8N195 W199N195-D197 PolarHBondContact O-N 3.03Å; D197-W199 PolarHBondContact O-N 2.98Å
198T35.5Very low38.4Very low135 Ų135128.8 Ų128.883%0.82877%0.774SS**  trans-87.3101.1-171.348.70000112.8
199W40.4Very low37.5Very low260 Ų260130.9 Ų130.999%0.98579%0.788SS**  trans-126.5104.9162-80.9-19.6000113D197D197-W199 PolarHBondContact O-N 2.98Å
200S32.5Very low37Very low117 Ų117135.6 Ų135.682%0.81881%0.81SS**  trans-89.2123.2169.5-63.50000110.9
201S40.7Very low36.6Very low114 Ų114136.6 Ų136.680%0.79781%0.812SS**  trans-165.5133.3148.4-89.30000114.8
202S37.3Very low36.4Very low121 Ų121138.8 Ų138.885%0.84682%0.816SS**  trans63.7114.6145.2-57.20000120.9
203K33.9Very low36Very low214 Ų214138.9 Ų138.993%0.9382%0.818SS**  trans-94.2121167-66.2173.4175.11770111.8
204S35.5Very low35.5Very low119 Ų119143.8 Ų143.883%0.83283%0.827SS**  trans-176.3154.9149.955.80000108.2
205S35.7Very low35.5Very low99 Ų99141.9 Ų141.969%0.69282%0.824SS**  cis-148.5160.64.7-1590000112
206T36Very low34.9Very low104 Ų104147 Ų14764%0.63883%0.832SS**  trans15.8131.3147.552.20000121.8
207D29.8Very low34.8Very low146 Ų146154.3 Ų154.378%0.78184%0.835SS**  57.6105.3129.3-48.1-29.5000120.8
208C33.6Very low34.5Very low134 Ų134153 Ų15391%0.90583%0.828SS**  trans-132.3105.7146.4-92.40000109.2
209L32.2Very low34.3Very low162 Ų162156.3 Ų156.385%0.84883%0.834SS**  trans-73.4130169.3-68.8167.6000109.1
210L34.6Very low33.9Very low165 Ų165150.4 Ų150.486%0.86482%0.82SS**  trans-128.964.8167.8-152.875.2000111.5D212L210-D212 PolarHBondContact O-N 3.36Å
211S31Very low33.8Very low107 Ų107156.6 Ų156.675%0.74883%0.825SS**  trans-83.684.9163.4-59.20000109.5
212D34.6Very low33.4Very low149 Ų149158.9 Ų158.980%0.79783%0.828SS**  trans-168.699.3162.6-100.6-29.7000111.4L210L210-D212 PolarHBondContact O-N 3.36Å
213C34.4Very low33.2Very low124 Ų124160.1 Ų160.184%0.83883%0.831SS**  trans-177.974160-111.40000111.9
214F31.2Very low33.4Very low203 Ų203152.8 Ų152.889%0.8982%0.815SS**  trans-143101170-99-70.2000112.2R216F214-R216 PolarHBondContact O-N 3.39Å
215P40.1Very low33.6Very low126 Ų126154.8 Ų154.882%0.81882%0.817SS**  trans-73105170.5-12.528.4000110.2R217P215-R217 PolarHBondContact O-N 3.13Å
216R29.4Very low33.8Very low249 Ų249157.2 Ų157.294%0.9482%0.822SS**  trans-69124.6167.8-74.9-176.4172.5-170.4-1.9109.4F214F214-R216 PolarHBondContact O-N 3.39Å
217R32.5Very low33.9Very low234 Ų234159.2 Ų159.288%0.88383%0.829SS**  trans-132105.3169.9-156.5168.4-171.1159.21.7112P215P215-R217 PolarHBondContact O-N 3.13Å
218N33.7Very low34.4Very low132 Ų132162.9 Ų162.971%0.70684%0.838SS**  trans41.399.8156.8-577.5000118.5
219Q31.1Very low34.4Very low204 Ų204165.6 Ų165.695%0.95384%0.835SS**  trans-70.4126.1144-78.2-177.9-23.200109
220I32.5Very low34.7Very low136 Ų136163 Ų16370%0.69783%0.83SS**  trans-135.6112.7161.2-62.5171.9000107.3
221R29.9Very low34.5Very low246 Ų246163.2 Ų163.293%0.92883%0.827SS**  trans-161141.4150.3-109.7167.8-164.5-1764.2108.5
222L33.1Very low34.7Very low162 Ų162165.8 Ų165.885%0.84883%0.831SS**  trans-85.3149.1-175.4-60.985.9000110.3
223T32.8Very low34.7Very low148 Ų148164.5 Ų164.591%0.90883%0.829SS**  trans-135.2111.6158.750.60000107.8
224G37.8Very low34.6Very low59 Ų59165.6 Ų165.661%0.60883%0.825SS**  trans173.5147.1-179.800000107.6
225D38.8Very low34.6Very low162 Ų162163 Ų16387%0.86682%0.821SS**  cis-142.3170.5-5.2-71.6-58000109
226D40.9Very low34.3Very low149 Ų149161.5 Ų161.580%0.79781%0.81SS**  trans-73.7155.1-171.1-59.9-69.9000115.3
227D37.8Very low34.7Very low146 Ų146155.7 Ų155.778%0.78180%0.802SS**  trans37.3106.5152.5-72.6-25.9000121
228F41Very low34.9Very low224 Ų224150.3 Ų150.398%0.98279%0.794SS**  trans-142.7150.1138.7-90.8-70.7000112.3
229K32.7Very low34.9Very low190 Ų190151.2 Ų151.283%0.82680%0.798SS**  trans-138113.7-159.3177.5-168.2172.4-173.90114.1
230S39.4Very low35Very low108 Ų108150.5 Ų150.576%0.75579%0.792SS**  trans-172.4119.7161.349.50000107
231E31Very low35.1Very low169 Ų169149.9 Ų149.979%0.7980%0.797SS**  71.4143.451.9-162.4164.2-163.300113.5
232L34.4Very low35.1Very low162 Ų162144.3 Ų144.385%0.84880%0.795SS**  trans83.298.5-159.6-54.4171.6000113
233V34.5Very low35.2Very low122 Ų122143 Ų14374%0.73979%0.793SS**  89111.155.2174.40000113.1
234L31.7Very low35.1Very low147 Ų147147.4 Ų147.477%0.7779%0.793SS**  trans19.2127.6152.8-72.5138.5000120.1T236L234-T236 HydrophobicContact CD2-CG2 4.45Å
235D32.1Very low34.8Very low149 Ų149150.2 Ų150.280%0.79780%0.798SS**  -150.8-168.196.1-148.9-23.8000111
236T32.8Very low34.3Very low94 Ų94147.8 Ų147.858%0.57779%0.794SS**  trans-131.8174.7-15253.60000114.3L234L234-T236 HydrophobicContact CD2-CG2 4.45Å
237T39Very low34Very low127 Ų127146.1 Ų146.178%0.77979%0.794SS**  trans92158.8161.675.80000120.5
238V36.8Very low33.7Very low120 Ų120145.2 Ų145.273%0.72779%0.794SS**  trans8887164.5-1650000120.1
239L31.9Very low33.4Very low151 Ų151142 Ų14279%0.79178%0.781SS**  trans75.797134.1-60.2176.6000123.9
240K34.5Very low33.4Very low190 Ų190138.8 Ų138.883%0.82677%0.769SS**  46.4145.9113.4-75.4-173.3173.7-178.30123.2
241P35Very low33Very low123 Ų123142 Ų14280%0.79977%0.766SS**PPolyproline II helixtrans-88.9165.2-178.938.3-38000114.9
242C30Very low33.2Very low129 Ų129142 Ų14287%0.87277%0.766SS**PPolyproline II helixtrans-102.7116.4179.4-67.90000113.6
243V34.2Very low33Very low134 Ų134143 Ų14381%0.81277%0.766SS**PPolyproline II helixtrans-91.8147.3158.2175.60000108.6
244R30.7Very low32.9Very low241 Ų241146 Ų14691%0.90977%0.77SS**  trans-116.2113.8-179-100.4-175168.7170.5-2.4112.7
245T30.8Very low33Very low117 Ų117149.1 Ų149.172%0.71877%0.771SS**  trans-147.1116.3166.449.90000112.9
246S28.8Very low32.9Very low112 Ų112148.7 Ų148.778%0.78377%0.769SS**  trans63.9155.9152.262.60000122.5
247S34.1Very low33.1Very low113 Ų113155.2 Ų155.279%0.7979%0.785SS**  trans66.8136.8176.460.80000117.1
248V31.4Very low32.7Very low128 Ų128154.3 Ų154.378%0.77678%0.783SS**  cis119.9134.55.8169.50000112.3
249H34.8Very low32.7Very low157 Ų157153.7 Ų153.773%0.72778%0.784SS**  trans65.5131.4-164.2-65.6-73.1000114.5
250E33.1Very low32.9Very low122 Ų122153.9 Ų153.957%0.5779%0.785SS**  cis98.8103.128.3-172.3-162.4179.200112.6
251Y32.4Very low33.2Very low174 Ų174150.9 Ų150.968%0.68278%0.783SS**  176.7155.4120.6-108.1-75000114.3
252Q33.3Very low33.5Very low169 Ų169150.2 Ų150.279%0.7978%0.778SS**  trans63114.8154.3-84.7148.634.400121.8
253Q31.1Very low33.9Very low183 Ų183150 Ų15086%0.85578%0.776SS**  trans-77.8159.1155.9-55.5165.2-48.300111.1
254F32.2Very low34Very low185 Ų185151 Ų15181%0.81177%0.774SS**  trans-165.7139.6140.9-106.1-56.7000115
255R33.9Very low34.3Very low213 Ų213148.1 Ų148.180%0.80477%0.771SS**  trans69.790.4153.8-60.5-171.8-179.7-163.1-2.4121.9
256N30.5Very low34.3Very low140 Ų140148.8 Ų148.875%0.74978%0.776SS**  11.5129120.2-49.1-4.2000120.3
257Y35.7Very low34.7Very low231 Ų231148.8 Ų148.891%0.90677%0.773SS**  -169.2118.2129.5-84.8-69.6000105.9
258S31.7Very low34.5Very low108 Ų108151 Ų15176%0.75577%0.774SS**  cis85.386.643.8-62.20000115.8
259S36.2Very low34.6Very low107 Ų107152.4 Ų152.475%0.74877%0.772SS**  trans-177109.1148.8-151.80000109.2
260L36.6Very low34.2Very low155 Ų155150.1 Ų150.181%0.81277%0.774SS**  58.8136.894.1-61170.2000114.6
261V39.8Very low34.2Very low127 Ų127155.8 Ų155.877%0.7779%0.79SS**  cis171.3165.6-8.4113.20000105.6
262P41.2Very low34Very low109 Ų109152.6 Ų152.671%0.70879%0.793SS**  -116.9-160-84.540.7-16000112.4
263P39.4Very low33.8Very low125 Ų125150 Ų15081%0.81279%0.794SS**  trans-96171.6-166.239-35.9000116.4
264I37.1Very low33.8Very low154 Ų154149.3 Ų149.379%0.7979%0.791SS**  trans-132.8130.9174.8-64.5178.6000112
265E36.6Very low33.9Very low181 Ų181144.8 Ų144.885%0.84678%0.782SS**  trans13.8153.1151.1-54.1-177.7146.500123.8
266T30.9Very low33.6Very low131 Ų131143.3 Ų143.380%0.80478%0.776SS**  trans-95.3163.5174.754.60000112.8
267P36.4Very low33.4Very low113 Ų113146.4 Ų146.473%0.73478%0.778SS**  trans-131.8145.7145.733.7-20.9000113.8
268I30.2Very low33.3Very low159 Ų159145.6 Ų145.682%0.81578%0.775SS**  trans-83.7134.6170.7-63.1164.6000108.7
269H34.6Very low33.1Very low158 Ų158145.6 Ų145.673%0.73177%0.774SS**  trans-130.2106.4165.4-100.2-67.6000112W271H269-W271 AromaticContact ND1-NE1 3.86Å
270S26.1Very low33.3Very low108 Ų108145.4 Ų145.476%0.75577%0.771SS**  trans-89.3127.6161.148.30000109.3
271W32.3Very low33.2Very low241 Ų241147.3 Ų147.391%0.91377%0.773SS**  trans-113144.6168.6-86.632.8000109.4H269H269-W271 AromaticContact ND1-NE1 3.86Å
272S28.5Very low33.1Very low107 Ų107148.8 Ų148.875%0.74877%0.771SS**  trans-137.9162.3-173.562.30000110.7
273S28.3Very low33Very low115 Ų115150.3 Ų150.380%0.80477%0.772SS**  trans63.2141.2-173.562.90000113.9
274E32.8Very low32.9Very low169 Ų169150.8 Ų150.879%0.7977%0.772SS**  cis-145.4162.745.2-87.4-159.27200116.4
275S32.3Very low32.7Very low90 Ų90148 Ų14863%0.62977%0.772SS**  trans35.6147.9136.6-54.40000123.2
276R28Very low32.8Very low182 Ų182148.9 Ų148.969%0.68777%0.773SS**  cis-173.2154.4-25.8-166-175.7-81.1-169.3-1.7107.9
277W27.8Very low33Very low205 Ų205147.4 Ų147.478%0.77777%0.769SS**  trans73154174.7-39.2110.9000114.2
278Y31.9Very low33Very low214 Ų214152.3 Ų152.384%0.83977%0.772SS**  cis-128.7153.114.8-90.1-103.2000113.7
279S27.5Very low33.4Very low107 Ų107151.9 Ų151.975%0.74877%0.767SS**  trans-161.2118.9155.8-1780000111
280P42Very low33.8Very low104 Ų104150 Ų15068%0.67577%0.769SS**  trans-97.5125.1168.4-1.922.4000111.5
281K33.9Very low34.8Very low195 Ų195150.4 Ų150.485%0.84877%0.769SS**  trans-92.6130.5163.1-65.9176-179.8176.50108.8
282H38Very low35.4Very low158 Ų158143.7 Ų143.773%0.73176%0.756SS**  trans-132.4120.8163.4-86.7-85.7000112.3
283L37.7Very low35.8Very low141 Ų141144.8 Ų144.874%0.73876%0.759SS**  55.5105.4129.4-56.4178.5000118
284V37.9Very low36.4Very low134 Ų134149.4 Ų149.481%0.81276%0.764SS**  92.2127.169.4159.40000111.8
285A33.8Very low36.5Very low96 Ų96144.7 Ų144.779%0.79376%0.761SS**  trans-85148.1-173.300000113.7
286K38Very low36.6Very low199 Ų199153 Ų15387%0.86578%0.779SS**  trans-154.6102.7158.1-138.6162-173.8173.40114.6
287S35.1Very low37.2Very low101 Ų101150.1 Ų150.171%0.70678%0.782SS**  trans4.6129.7148.358.40000121
288R37.5Very low37.4Very low215 Ų215147.9 Ų147.981%0.81179%0.785SS**  -176118.9125.7-102-176.5147.6148.30.7110.7
289E37Very low37.6Very low150 Ų150143.4 Ų143.470%0.70179%0.785SS**  78.8109.899.9-75.6-177143.400116.2
290P43.7Very low37.9Very low118 Ų118143 Ų14377%0.76678%0.782SS**  trans-94.7-165.715642-34.5000109.6
291P46.9Very low37.4Very low118 Ų118142.3 Ų142.377%0.76679%0.785SS**  cis-118-127-10.529.1-3.1000108.3
292P44.9Very low37.5Very low100 Ų100140.8 Ų140.865%0.64978%0.781SS**  cis-134.3165.2-24.939.3-20.9000117.8
293T36.4Very low37.2Very low130 Ų130138.9 Ų138.980%0.79878%0.781SS**  trans15.4116152.159.40000121.8
294K42.6Very low37.1Very low211 Ų211143.4 Ų143.492%0.91779%0.788SS**  trans-140.9138.5133.9-60.6-179.3-174.4174.30107.1
295G34.4Very low36.9Very low70 Ų70144.3 Ų144.372%0.72279%0.785SS**  cis11577.82.700000112
296W34.7Very low36.9Very low265 Ų265145.6 Ų145.6100%1.00479%0.785SS**  trans-135.4139.5164.1-99.412000108.5
297T40.7Very low36.9Very low122 Ų122142.7 Ų142.775%0.74878%0.784SS**  trans-129.2154-173.148.30000110.7
298N32Very low36.9Very low158 Ų158146.8 Ų146.885%0.84579%0.792SS**  trans57.3114.8160-56.2-7.2000118.3
299S34.9Very low37.1Very low120 Ų120145.9 Ų145.984%0.83979%0.794SS**  -146.1158.3126.5-157.80000111.3
300S35.1Very low37.3Very low97 Ų97145 Ų14568%0.67879%0.794SS**  trans-45.2143-160.5-560000118.4
301A31.2Very low37.2Very low91 Ų91147.4 Ų147.475%0.75280%0.8SS**  trans-70.7150153.300000110.9
302H35.1Very low36.6Very low163 Ų163152.2 Ų152.276%0.75580%0.803SS**  trans-132.8100.9162.7-91.5-70.9000110.4
303T32.6Very low36.4Very low118 Ų118154.3 Ų154.372%0.72481%0.809SS**  trans-77.9130.6167.1-55.80000109.6
304W34.3Very low36.3Very low236 Ų236152.1 Ų152.189%0.89480%0.799SS**  trans-139.2135.4157.2-80.5107.1000109.8
305M34.3Very low36Very low152 Ų152152 Ų15275%0.74980%0.799SS**  trans-90.4160.2-178.5-65.7-145-51.900111.6
306P34.3Very low35.7Very low124 Ų124154.1 Ų154.181%0.80580%0.801SS**  trans-61.6149.7166.128.7-36.4000111
307V38Very low35.8Very low138 Ų138146.2 Ų146.284%0.83679%0.793SS**  trans-111114.4173.6172.10000108.2
308E33.9Very low35.4Very low187 Ų187148.5 Ų148.587%0.87480%0.795SS**  trans-68.6150.7164.9-63.5174.8121.100110
309K43.2Very low35.4Very low196 Ų196147.5 Ų147.585%0.85280%0.795SS**  trans-149.7125.3156.1-164.5166.7-174.6175.60111.6
310D40.2Very low35.5Very low132 Ų132146 Ų14671%0.70678%0.784SS**  trans-61.3154176.9-51.9-101.9000113.1
311N42Very low35.4Very low167 Ų167150.4 Ų150.489%0.89379%0.791SS**  -151.2139.4106.5-113.60.2000111.5
312R34.2Very low35.7Very low219 Ų219152.2 Ų152.283%0.82679%0.788SS**  trans-90.2145.7166.1-67.2177.4171.1-166.3-3109.2
313D40.3Very low35.6Very low145 Ų145149.6 Ų149.678%0.77579%0.788SS**  -173.5114.1127.6-94.2-35.3000107.3
314S34.7Very low35.8Very low84 Ų84147.5 Ų147.559%0.58779%0.791SS**  76.297.569.585.40000112.8
315F35Very low35.9Very low207 Ų207143.7 Ų143.791%0.90879%0.786SS**  -176.3153.7112-111.3-89.6000110.5
316C28.7Very low35.9Very low115 Ų115142.3 Ų142.378%0.77779%0.79SS**  trans-125.3135174.3-179.40000108.6
317A36.8Very low36.1Very low99 Ų99144.9 Ų144.982%0.81879%0.791SS**  trans-136.1124.3176.800000110
318Q31.9Very low36Very low171 Ų171145.5 Ų145.580%0.79979%0.79SS**  trans-74.5170.8-170.9-63.8148.1-72.600113.7
319T32.7Very low36.2Very low137 Ų137143.5 Ų143.584%0.8478%0.784SS**  trans69144.6156.647.20000118.1
320S36.8Very low35.9Very low89 Ų89138.9 Ų138.962%0.62278%0.776SS**  cis-170.5154.4-7.148.60000111.9
321F33.9Very low35.8Very low188 Ų188144.1 Ų144.183%0.82579%0.786SS**  trans64.1155.5170.1-65.9-77.7000115.8
322D36.9Very low35.4Very low129 Ų129141.6 Ų141.669%0.6978%0.782SS**  cis-140.6168.92.9-139.9-38.4000113.9
323S33.3Very low35.5Very low108 Ų108137.2 Ų137.276%0.75578%0.779SS**  trans-39.5143.9-179-50.60000118.3
324G36.1Very low35.5Very low75 Ų75136 Ų13677%0.77378%0.779SS**  trans-161.426.1-17900000118.2
325I36.7Very low35.4Very low155 Ų155137.4 Ų137.480%0.79579%0.787SS**  trans31.4115.5161.5-36.3178.1000118.8
326C33.5Very low35.8Very low123 Ų123136.7 Ų136.783%0.83179%0.787SS**  trans-97.5143.1156.6-72.90000110.5
327E39.1Very low35.9Very low179 Ų179140 Ų14084%0.83679%0.791SS**  trans-97.198.8177-65.6-172.215100111.4I329E327-I329 PolarHBondContact O-N 2.77Å
328D37.2Very low36Very low150 Ų150139.9 Ų139.980%0.80279%0.79SS**  trans-79.9105.3169.2-86.2-45.9000110.6S330D328-S330 VanDerWaalsContact C-N 3.28Å; D328-S330 PolarHBondContact O-N 3.49Å
329I38.1Very low36.2Very low145 Ų145136.6 Ų136.674%0.74478%0.783SS**  trans-77.278.5175.4-52.8179.1000110E327E327-I329 PolarHBondContact O-N 2.77Å
330S36Very low36.5Very low100 Ų100140.3 Ų140.370%0.69979%0.788SS**PPolyproline II helixtrans-89.1126.8168.6-69.90000110.9D328D328-S330 VanDerWaalsContact C-N 3.28Å; D328-S330 PolarHBondContact O-N 3.49Å
331W37.1Very low36.3Very low242 Ų242143 Ų14392%0.91780%0.795SS**PPolyproline II helixtrans-79.9120.1178.6-74.274.1000111.2
332S34.1Very low36.3Very low114 Ų114138.4 Ų138.480%0.79779%0.792SS**PPolyproline II helixtrans-77.1128.1-173-560000113.6
333V36.8Very low36.2Very low126 Ų126139.9 Ų139.976%0.76480%0.799SS**  trans-105.4114.5165.8179.20000109.5C335V333-C335 PolarHBondContact O-N 3Å
334P40.4Very low36.2Very low119 Ų119142.9 Ų142.977%0.77380%0.801SS**  trans-80.280.8-177.2-14.331.1000113.8H336P334-H336 PolarHBondContact O-N 3.1Å
335C33Very low36.1Very low114 Ų114144 Ų14477%0.7780%0.797SS**  trans-83.797.3167.7-76.60000111.4V333V333-C335 PolarHBondContact O-N 3Å
336H42.6Very low36Very low193 Ų193144.2 Ų144.289%0.89479%0.794SS**  trans-93.198.8166.3-95-63.1000111.5P334P334-H336 PolarHBondContact O-N 3.1Å
337Q32Very low36Very low185 Ų185142.6 Ų142.686%0.86478%0.781SS**  trans-105.4127.9168.6-168.8176.626.100109.3
338A37.2Very low35.8Very low96 Ų96139.7 Ų139.779%0.79377%0.771SS**  trans-133.4127170.700000108.5
339P37.6Very low35.9Very low102 Ų102142.2 Ų142.266%0.66277%0.771SS**  trans-99.3153.7-166.137.1-35000113.5
340F37.6Very low35.9Very low215 Ų215141.5 Ų141.594%0.94377%0.768SS**  trans-141.3142.5144.5-105.5-78.4000110.6
341N33.1Very low35.9Very low145 Ų145141.9 Ų141.978%0.77577%0.771SS**  trans-102.6169-172.8-70.9-47.6000112.1
342A33Very low36Very low91 Ų91135.5 Ų135.575%0.75277%0.77SS**  trans74.3144165.500000116.4
343L36.1Very low35.8Very low161 Ų161134.9 Ų134.984%0.84377%0.772SS**  cis-147.2167.51.5-151.276.8000111.9
344H33.1Very low35.9Very low170 Ų170136.1 Ų136.179%0.78778%0.779SS**  trans-41.3158.7158.9-72.1-15.8000115.3
345S34Very low35.6Very low98 Ų98138.3 Ų138.369%0.68578%0.779SS**  cis-177.3171.90.743.70000112.7
346H34.4Very low35.7Very low160 Ų160139.9 Ų139.974%0.74178%0.777SS**  trans81.4109.1142.7-112-95.6000121.6
347T34.5Very low35.6Very low90 Ų90136 Ų13655%0.55277%0.769SS**  62.8123.6127.157.20000125.1
348D34.9Very low35.4Very low118 Ų118136.1 Ų136.163%0.63177%0.767SS**  80.6146.8123.7-52.5-7.8000123.6
349Y38.8Very low35.3Very low203 Ų203143.3 Ų143.380%0.79677%0.773SS**  trans67.2144166.6-58.1-72.5000117.3
350D37Very low35.2Very low130 Ų130146 Ų14670%0.69578%0.777SS**  cis-152.3167-6.1-141.2-33.9000113.6
351S36.2Very low34.8Very low108 Ų108146 Ų14676%0.75578%0.777SS**  trans-18.1137.5162.3-54.40000120.8
352A38.6Very low34.8Very low108 Ų108144 Ų14489%0.89377%0.77SS**  trans-158138.6133.100000110.5
353A31.3Very low34.7Very low101 Ų101145.8 Ų145.884%0.83577%0.767SS**  trans-128.7153.9-17700000112.4
354V37.9Very low34.7Very low151 Ų151145.7 Ų145.792%0.91576%0.761SS**  trans-139.7128.7165.8-174.40000110.2
355E35.1Very low34.6Very low166 Ų166143.3 Ų143.378%0.77676%0.764SS**  trans-66.7173.3174.9-76.2-172.1109.300113.5
356M34.3Very low34.7Very low147 Ų147146.3 Ų146.372%0.72477%0.772SS**  cis-179.4-170.9-6.2-100.6-93.1-104.700106.2
357P40Very low34.7Very low112 Ų112145.6 Ų145.673%0.72777%0.773SS**  cis-128177.9-22.924.6-2.1000114.2
358F28.1Very low34.7Very low187 Ų187151.8 Ų151.882%0.8279%0.788SS**  trans-67.5161.6169.9-87.6-116.2000115.2
359R36.8Very low34.4Very low246 Ų246150 Ų15093%0.92880%0.798SS**  trans-131.2141.8132.7-89.6-159.7169.8-122-4.3111.8
360Q33.7Very low34.3Very low158 Ų158147.6 Ų147.674%0.73880%0.797SS**  trans-83.3153-178-57.3144.5-73.300111.7
361F31Very low34.1Very low216 Ų216152.7 Ų152.795%0.94781%0.806SS**  -143.1144.5121.1-103.8-77.1000109
362V32.5Very low34Very low103 Ų103152.6 Ų152.662%0.62480%0.804SS**  trans-144.3159.9-172.2-168.90000107.6
363N30.2Very low33.9Very low128 Ų128155.6 Ų155.668%0.68480%0.799SS**  trans70.4142.9165.5-80.2-13.4000116.4
364H36.2Very low33.9Very low159 Ų159159.1 Ų159.174%0.73680%0.802SS**  cis-140.4151.36.9-84.1-70.3000111.4
365S30.6Very low33.7Very low121 Ų121158 Ų15885%0.84680%0.8SS**  trans-80.8138.4153-54.10000109.9
366L37.4Very low33.7Very low161 Ų161155.2 Ų155.284%0.84380%0.799SS**  trans-162.8137.7158.6-113.4171.4000110
367D33.2Very low33.8Very low144 Ų144154.1 Ų154.177%0.7780%0.803SS**  trans-62.7138.8171.5-76.3-73.4000112.1
368Y35.5Very low33.6Very low221 Ų221154.4 Ų154.487%0.86781%0.807SS**  trans-160.9110.7140.9-97.5-65.6000110.3
369G27.5Very low33.8Very low81 Ų81152.2 Ų152.284%0.83581%0.81SS**  trans-85.1115.6176.600000112.8
370I38Very low33.9Very low152 Ų152146.3 Ų146.378%0.77980%0.801SS**  trans-136.5130.1166.3-82.7164.3000108.8
371R31.4Very low34Very low236 Ų236147 Ų14789%0.89181%0.806SS**  trans-74.4144.9167.8-82.7175.1143.7-165.9-3.7110.5
372P35.2Very low34.1Very low107 Ų107144 Ų14470%0.69580%0.799SS**  trans-134.1120.2137.329.4-13.6000114.3
373H36.7Very low34.2Very low171 Ų171146.5 Ų146.579%0.79281%0.809SS**  trans31.6104.5136.3-57.3-79.6000120.5
374L31.1Very low34.6Very low174 Ų174147.5 Ų147.591%0.91182%0.819SS**  20.7113.1124.9-68.2164.9000117.5
375C32.9Very low34.6Very low129 Ų129145.1 Ų145.187%0.87282%0.82SS**  trans-128.6145.1151.1-164.10000109
376S35.3Very low34.8Very low107 Ų107144.9 Ų144.975%0.74882%0.818SS**PPolyproline II helixtrans-73.3145-165.1-60.10000114.2
377P35.5Very low34.7Very low123 Ų123144.6 Ų144.680%0.79982%0.817SS**PPolyproline II helixtrans-75.9126.2171.230.9-33.2000111.4
378S36.5Very low35Very low118 Ų118145.1 Ų145.183%0.82582%0.82SS**PPolyproline II helixtrans-77.5136.6172.1-71.10000111.6T380S378-T380 PolarHBondContact O-N 2.87Å
379T33.3Very low35.1Very low142 Ų142145 Ų14587%0.87182%0.818SS**  trans-80.2104.1-170.3-51.80000113.9
380T39.2Very low35.9Very low121 Ų121146 Ų14674%0.74281%0.81SS**  trans-148.9158.8159.3-27.80000110.7S378S378-T380 PolarHBondContact O-N 2.87Å
381M34.8Very low35.6Very low174 Ų174150.1 Ų150.186%0.85782%0.816SS**  trans66.167.1168.9-54-55.8-72.600117.2
382L32.1Very low35.8Very low151 Ų151147.6 Ų147.679%0.79181%0.814SS**  trans-95.897.6155.3-74.4173.7000110.1
383N36Very low35.7Very low156 Ų156150.9 Ų150.983%0.83482%0.82SS**  trans176.6105.6146.3-102.42.4000110.7
384V38.3Very low35.6Very low149 Ų149149.4 Ų149.490%0.90382%0.823SS**  trans-139.1124.2154.2-179.20000105.1
385C36Very low35.6Very low110 Ų110146.6 Ų146.674%0.74382%0.817SS**  trans-78.8143172.9-67.10000109.5
386S35.2Very low35.7Very low116 Ų116152.6 Ų152.681%0.81182%0.821SS**SBendtrans-77.4113.6155.5-56.50000107.4
387D35.9Very low35.8Very low154 Ų154154 Ų15482%0.82483%0.826SS**  trans-17757.9162.6-91.4-28.5000110.2
388D38.8Very low35.8Very low156 Ų156159.2 Ų159.283%0.83483%0.829SS**  trans-145.786.3176.7-95.6-48.8000111.3
389W37.3Very low35.8Very low218 Ų218165.4 Ų165.483%0.82683%0.834SS**  trans-123.395.7171.3-81.8103.7000110.3W391W389-W391 PolarHBondContact O-N 2.93Å
390P43.4Very low36.3Very low103 Ų103166.6 Ų166.667%0.66983%0.834SS**  trans-85.174.8-168.333.5-36.6000114.1Q392P390-Q392 PolarHBondContact O-N 3.08Å
391W31.6Very low36.4Very low238 Ų238165.6 Ų165.690%0.90283%0.832SS**THydrogen-bonded Turntrans-76.636.4173.4-85.1101.8000114.5W389W389-W391 PolarHBondContact O-N 2.93Å
392Q37.1Very low36.4Very low182 Ų182163.6 Ų163.685%0.8583%0.832SS**THydrogen-bonded Turntrans-130.65.5-179.4-74.4-159.6-7.100116.4P390 V394P390-Q392 PolarHBondContact O-N 3.08Å; Q392-V394 PolarHBondContact O-N 3.22Å
393E33.4Very low37Very low176 Ų176161.6 Ų161.682%0.82283%0.829SS**  trans-81.237-172.9-146.660.5-124.300115.2
394V33.1Very low37.4Very low140 Ų140160.7 Ų160.785%0.84883%0.829SS**SBendtrans-131.845.2179.6-162.20000112.1Q392Q392-V394 PolarHBondContact O-N 3.22Å
395C31.7Very low37.5Very low115 Ų115161.3 Ų161.378%0.77783%0.826SS**SBendtrans-160.755.5171-135.50000117.5
396R34.7Very low37.8Very low256 Ų256161.4 Ų161.497%0.96683%0.825SS**  trans-162.882.9161.6-108.1147.1-157.8-165.56.9115.6
397T37.9Very low37.9Very low137 Ų137160.2 Ų160.284%0.8482%0.817SS**  trans-75.6133.3164.237.50000111.8
398R34.4Very low38.2Very low232 Ų232159.9 Ų159.988%0.87582%0.815SS**  trans50.2110.2162-57.7-177.8-178-153.61.5118.2
399R37.4Very low38.4Very low248 Ų248159.2 Ų159.294%0.93681%0.812SS**  -169.9143.1109.5-99.6162.9-154.9-93.34.5111.1
400L43.8Very low38.6Very low166 Ų166161 Ų16187%0.86982%0.818SS**  trans-90.5140.2179.5-69.5163.1000111.1
401S41.5Very low38.7Very low100 Ų100162.1 Ų162.170%0.69982%0.823SS**  trans31.1114.7150.4590000120
402P35.6Very low39.1Very low132 Ų132154.1 Ų154.186%0.85782%0.815SS**  trans-88.6142.7169.234.9-32.6000113.3
403P44.5Very low39.5Very low110 Ų110152.8 Ų152.871%0.71481%0.812SS**  trans-113.3123.8164.834.5-24.2000113.6
404T44.1Very low39.9Very low136 Ų136150.3 Ų150.383%0.83481%0.812SS**  trans25.2116.4148.553.40000121.9
405L39.6Very low40.4Very low162 Ų162150.7 Ų150.785%0.84881%0.808SS**  trans-12.7153.9138.8-78.3169.9000118.2
406P43.5Very low40.7Very low112 Ų112150.8 Ų150.873%0.72781%0.808SS**  cis-146.7163.849.142.1-23.7000120
407S36.5Very low40.6Very low91 Ų91144.9 Ų144.964%0.63681%0.805SS**  trans54147.8156.369.10000118.5
408N43.1Very low40.6Very low148 Ų148146.9 Ų146.979%0.79181%0.805SS**  -151.216255.8-61.8-46.3000113.5
409N42.7Very low40.8Very low141 Ų141144.4 Ų144.475%0.75480%0.801SS**  trans-43.5136.1179.9-52.5-20.8000116.1
410W41.5Very low41.4Very low256 Ų256136.6 Ų136.697%0.9779%0.789SS**  -138.9150.5125.4-9198.1000109.4
411T45Very low41.8Very low126 Ų126133.9 Ų133.977%0.77378%0.781SS**  trans-119138.8-163.950.90000112.9
412G39.1Very low41.8Very low71 Ų71138.4 Ų138.473%0.73279%0.789SS**  trans149.3144.4155.100000116.5
413I46.5Very low42.5Very low154 Ų154140 Ų14079%0.7978%0.783SS**  trans67.9101.3162.5-45.9175.9000117
414P42.3Very low42.8Very low124 Ų124140 Ų14081%0.80578%0.782SS**  trans-112.991.6165.235.7-22.8000112.2
415L43.6Very low43.2Very low148 Ų148138.1 Ų138.178%0.77576%0.764SS**  trans-153.6148172.4-68176.1000107.8
416C37Very low43.7Very low116 Ų116135.3 Ų135.378%0.78476%0.756SS**  cis-153.8171.8-22.9-124.30000107.8
417C33.8Very low44.2Very low132 Ų132139.2 Ų139.289%0.89276%0.756SS**  trans-66.7133.4-175.1-490000113.2
418E37.4Very low44.9Very low179 Ų179140.4 Ų140.484%0.83676%0.755SS**  trans-145.4117.7164.4-143.4157.6-163.500114
419F37.9Very low45.1Very low181 Ų181142.4 Ų142.479%0.79476%0.759SS**  trans23.2106.8162.9-69-94.9000121.3
420A49.8Very low45.4Very low83 Ų83143.9 Ų143.969%0.68676%0.764SS**  trans-79.4147.9138.400000109.6
421P53.6Low45.7Very low109 Ų109137.4 Ų137.471%0.70875%0.753SS**  trans-72131.8-173.227.8-34.6000113F423P421-F423 HydrophobicContact CB-CD2 4.49Å; P421-F423 PolarHBondContact O-N 3.12Å
422F40.3Very low46Very low196 Ų196136.6 Ų136.686%0.8675%0.752SS**  trans-70.388.3169.3-96-103.8000110.6
423F51.3Low46.2Very low166 Ų166139 Ų13973%0.72876%0.757SS**  trans-86.4121.7158.8-94.7-86.4000109.6P421 Q425P421-F423 HydrophobicContact CB-CD2 4.49Å; P421-F423 PolarHBondContact O-N 3.12Å; F423-Q425 PolarHBondContact O-N 3.28Å; F423-Q425 VanDerWaalsContact O-N 3.15Å
424P50.2Low46.3Very low109 Ų109137.5 Ų137.571%0.70876%0.76SS**  trans-68.1114172.627.8-32.1000109.3P426P424-P426 WeakPolarHBondContact O-CD 3.43Å
425Q52.4Low46.8Very low96 Ų96142.1 Ų142.145%0.44976%0.761SS.*  trans-108.376.5174.6-79.8-88.2-5900109.5F423 W427 L428F423-Q425 PolarHBondContact O-N 3.28Å; F423-Q425 VanDerWaalsContact O-N 3.15Å; Q425-W427 PolarHBondContact O-N 3.26Å; Q425-L428 HydrophobicContact CB-CD1 4.46Å
426P50.7Low47Very low103 Ų103144.2 Ų144.267%0.66977%0.767SS**THydrogen-bonded Turntrans-70.65.3-176.228.7-33.6000114.2P424P424-P426 WeakPolarHBondContact O-CD 3.43Å
427W54Low47.9Very low194 Ų194146.4 Ų146.474%0.73577%0.77SS**THydrogen-bonded Turntrans-101.5-18.6-175.1-33.2-39000113.6Q425Q425-W427 PolarHBondContact O-N 3.26Å
428L50.7Low49.3Very low117 Ų117146.1 Ų146.161%0.61376%0.763SS**  trans-93.36.3-171.3-68.6178.9000115Q425 M430Q425-L428 HydrophobicContact CB-CD1 4.46Å; L428-M430 VanDerWaalsContact C-N 3.29Å; L428-M430 PolarHBondContact O-N 3.01Å
429Q48.3Very low50.3Low189 Ų189141.6 Ų141.688%0.88375%0.75SS**  trans-89.648.2171.6-73-164.3-19.200113.3
430M47.3Very low51Low173 Ų173137.5 Ų137.585%0.85274%0.736SS**  trans-118.418.2171.1-70.2-158.770.500114.1L428L428-M430 VanDerWaalsContact C-N 3.29Å; L428-M430 PolarHBondContact O-N 3.01Å
431T47.9Very low51.5Low120 Ų120136.5 Ų136.574%0.73673%0.728SS**SBendtrans-111.844.2-174.251.80000113.2
432S52Low51.7Low109 Ų109138.7 Ų138.776%0.76273%0.726SS**  trans-144.3-9.9179-57.20000116S434S432-S434 VanDerWaalsContact C-N 3.29Å; S432-S434 PolarHBondContact O-N 3.12Å; S432-S434 VanDerWaalsContact O-N 3.11Å
433C44.2Very low52.5Low122 Ų122134.2 Ų134.282%0.82471%0.711SS**  trans-88.354.6-179.3-78.90000113.4R435C433-R435 PolarHBondContact O-N 3Å
434S47.2Very low52.8Low122 Ų122130.6 Ų130.685%0.85370%0.698SS**  trans-72.456171.8-58.40000112.5S432S432-S434 VanDerWaalsContact C-N 3.29Å; S432-S434 PolarHBondContact O-N 3.12Å; S432-S434 VanDerWaalsContact O-N 3.11Å
435R52.9Low53.2Low221 Ų221133.9 Ų133.983%0.83470%0.696SS**  trans-94.5138.5164.9-70.3-174.2-177.7-97.50.1108.6C433 L437C433-R435 PolarHBondContact O-N 3Å; R435-L437 VanDerWaalsContact C-N 3.3Å; R435-L437 PolarHBondContact O-N 3.28Å
436Q47.9Very low53.6Low192 Ų192137.2 Ų137.290%0.89771%0.705SS**  trans-71.476.7-169.3-64.5172-3.300112.7V438Q436-V438 VanDerWaalsContact C-N 3.27Å; Q436-V438 PolarHBondContact O-N 3.48Å
437L57.1Low54.5Low162 Ų162137.6 Ų137.685%0.84870%0.701SS**  trans-73.786.9159.4-69.5177.1000108R435 P439R435-L437 VanDerWaalsContact C-N 3.3Å; R435-L437 PolarHBondContact O-N 3.28Å; L437-P439 VanDerWaalsContact O-CD 3.23Å; L437-P439 WeakPolarHBondContact O-CD 3.5Å
438V61.5Low55.6Low125 Ų125130.6 Ų130.676%0.75868%0.682SS**  trans-56.5111.4167.4178.80000106.8Q436 N440Q436-V438 VanDerWaalsContact C-N 3.27Å; Q436-V438 PolarHBondContact O-N 3.48Å; V438-N440 PolarHBondContact O-N 3.43Å
439P59.1Low57.3Low84 Ų84129.2 Ų129.255%0.54568%0.675SS.*  trans-66.8127-171.628.1-34.8000108.1L437 A441 I444L437-P439 VanDerWaalsContact O-CD 3.23Å; L437-P439 WeakPolarHBondContact O-CD 3.5Å; P439-A441 PolarHBondContact O-N 3.34Å; P439-I444 HydrophobicContact CB-CD1 3.66Å; P439-I444 HydrophobicContact CB-CG1 4.32Å; P439-I444 HydrophobicContact CG-CD1 3.71Å
440N53.5Low59.2Low96 Ų96122.4 Ų122.451%0.51365%0.651SS.*  trans-62108.5-172.2-173.6-25.3000109V438 K442 L443 I444V438-N440 PolarHBondContact O-N 3.43Å; N440-K442 PolarHBondContact O-N 2.91Å; N440-K442 PolarHBondContact OD1-N 3.39Å; N440-L443 HydrophobicContact CB-CD1 4.27Å; N440-L443 HydrophobicContact CB-CG 4.45Å; N440-L443 WeakPolarHBondContact O-CA 3.47Å; N440-L443 WeakPolarHBondContact O-CB 3.22Å; N440-L443 PolarHBondContact O-N 3.02Å; N440-I444 PolarHBondContact O-N 2.97Å
441A59.4Low61.2Low62 Ų62116.2 Ų116.251%0.51263%0.628SS.*Hα-helixtrans-61.6-13.9-172.300000113.7P439 R445P439-A441 PolarHBondContact O-N 3.34Å; A441-R445 WeakPolarHBondContact O-CG 3.39Å; A441-R445 PolarHBondContact O-N 2.7Å
442K58.4Low63.3Low155 Ų155114.9 Ų114.967%0.67462%0.615SS**Hα-helixtrans-83.6-11.4172.3-59.9-178.9-179.8178.50114N440 R446N440-K442 PolarHBondContact O-N 2.91Å; N440-K442 PolarHBondContact OD1-N 3.39Å; K442-R446 PolarHBondContact O-NH1 3.32Å
443L56.8Low65.2Low101 Ų101115.2 Ų115.253%0.52960%0.604SS.*Hα-helixtrans-93.6-45.1168.8-72.7174.6000111N440 R445 R446 N447N440-L443 HydrophobicContact CB-CD1 4.27Å; N440-L443 HydrophobicContact CB-CG 4.45Å; N440-L443 WeakPolarHBondContact O-CA 3.47Å; N440-L443 WeakPolarHBondContact O-CB 3.22Å; N440-L443 PolarHBondContact O-N 3.02Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 3.44Å; L443-R446 WeakPolarHBondContact O-CA 3.17Å; L443-R446 WeakPolarHBondContact O-CB 3.48Å; L443-R446 PolarHBondContact O-N 2.9Å; L443-N447 PolarHBondContact O-N 3.02Å; L443-N447 PolarHBondContact O-OD1 3.03Å
444I58.4Low67.7Low91 Ų91114.6 Ų114.647%0.46759%0.592SS.*Hα-helixtrans-53.3-45.4176.7-62163.9000110.9P439 N440 R446 N447 S448P439-I444 HydrophobicContact CB-CD1 3.66Å; P439-I444 HydrophobicContact CB-CG1 4.32Å; P439-I444 HydrophobicContact CG-CD1 3.71Å; N440-I444 PolarHBondContact O-N 2.97Å; I444-R446 PolarHBondContact O-N 3.18Å; I444-N447 PolarHBondContact O-N 3.38Å; I444-S448 PolarHBondContact O-N 3Å; I444-S448 PolarHBondContact O-OG 2.91Å
445R58.1Low69.9Low177 Ų177114 Ų11467%0.66858%0.576SS**Hα-helixtrans-69.1-6.2176.7-69.9-169.1-169.2-163.84.3116A441 L443 S448 N449A441-R445 WeakPolarHBondContact O-CG 3.39Å; A441-R445 PolarHBondContact O-N 2.7Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 3.44Å; R445-S448 WeakPolarHBondContact CA-OG 3.43Å; R445-S448 PolarHBondContact O-OG 3.38Å; R445-N449 PolarHBondContact O-OD1 2.62Å
446R61.1Low71.9Confident166 Ų166109.7 Ų109.763%0.62656%0.564SS**Hα-helixtrans-96.4-44.4170.2-74.4-176.2169.394.1-8.7110.1K442 L443 I444 S448 N449 A450K442-R446 PolarHBondContact O-NH1 3.32Å; L443-R446 WeakPolarHBondContact O-CA 3.17Å; L443-R446 WeakPolarHBondContact O-CB 3.48Å; L443-R446 PolarHBondContact O-N 2.9Å; I444-R446 PolarHBondContact O-N 3.18Å; R446-S448 VanDerWaalsContact C-N 3.25Å; R446-S448 PolarHBondContact O-N 3.45Å; R446-N449 PolarHBondContact O-N 2.82Å; R446-N449 VanDerWaalsContact O-N 3.13Å; R446-A450 PolarHBondContact O-N 3.01Å
447N69.2Low74.2Confident111 Ų111104.6 Ų104.659%0.59454%0.542SS*.Hα-helixtrans-61.9-32.7174.3-68.344.3000112L443 I444 N449 A450 A451L443-N447 PolarHBondContact O-N 3.02Å; L443-N447 PolarHBondContact O-OD1 3.03Å; I444-N447 PolarHBondContact O-N 3.38Å; N447-N449 VanDerWaalsContact C-N 3.32Å; N447-N449 PolarHBondContact O-N 2.79Å; N447-A450 PolarHBondContact O-N 3.18Å; N447-A451 VanDerWaalsContact O-CB 3.32Å; N447-A451 WeakPolarHBondContact O-CB 3.34Å; N447-A451 PolarHBondContact O-N 3.27Å
448S77.2Confident76.1Confident48 Ų48102 Ų10234%0.33653%0.529SS..Hα-helixtrans-60.9-38.7173.559.60000112.9I444 R445 R446 I452I444-S448 PolarHBondContact O-N 3Å; I444-S448 PolarHBondContact O-OG 2.91Å; R445-S448 WeakPolarHBondContact CA-OG 3.43Å; R445-S448 PolarHBondContact O-OG 3.38Å; R446-S448 VanDerWaalsContact C-N 3.25Å; R446-S448 PolarHBondContact O-N 3.45Å; S448-I452 WeakPolarHBondContact O-CD1 3.34Å; S448-I452 WeakPolarHBondContact O-CG1 3.42Å; S448-I452 PolarHBondContact O-N 2.93Å
449N85.2Confident77.8Confident88 Ų88101.6 Ų101.647%0.47152%0.519SS..Hα-helixtrans-71.7-46179.2-69.627.2000110.4R445 R446 N447 A451 I452 E453R445-N449 PolarHBondContact O-OD1 2.62Å; R446-N449 PolarHBondContact O-N 2.82Å; R446-N449 VanDerWaalsContact O-N 3.13Å; N447-N449 VanDerWaalsContact C-N 3.32Å; N447-N449 PolarHBondContact O-N 2.79Å; N449-A451 VanDerWaalsContact C-N 3.27Å; N449-A451 PolarHBondContact O-N 3.29Å; N449-I452 PolarHBondContact O-N 2.95Å; N449-I452 VanDerWaalsContact O-N 3.12Å; N449-E453 WeakPolarHBondContact O-CB 3.29Å; N449-E453 WeakPolarHBondContact O-CG 3.22Å; N449-E453 PolarHBondContact O-N 3.43Å
450A89.8Confident79.6Confident46 Ų46103.4 Ų103.438%0.3852%0.52SS..Hα-helixtrans-59.4-37.1174.500000112.4R446 N447 L454R446-A450 PolarHBondContact O-N 3.01Å; N447-A450 PolarHBondContact O-N 3.18Å; A450-L454 WeakPolarHBondContact O-CB 3.17Å; A450-L454 VanDerWaalsContact O-CG 3.23Å; A450-L454 WeakPolarHBondContact O-CG 3.38Å; A450-L454 PolarHBondContact O-N 2.89Å
451A88.6Confident81.6Confident43 Ų43102.3 Ų102.336%0.35552%0.519SS..Hα-helixtrans-66.9-41.4174.200000112.3N447 N449 L454 H455N447-A451 VanDerWaalsContact O-CB 3.32Å; N447-A451 WeakPolarHBondContact O-CB 3.34Å; N447-A451 PolarHBondContact O-N 3.27Å; N449-A451 VanDerWaalsContact C-N 3.27Å; N449-A451 PolarHBondContact O-N 3.29Å; A451-L454 PolarHBondContact O-N 3.46Å; A451-H455 PolarHBondContact O-CD2 3.34Å; A451-H455 PolarHBondContact O-N 3.49Å
452I91.6Very high83.4Confident91 Ų91103.6 Ų103.647%0.46752%0.517SS..Hα-helixtrans-65.1-43175.5-70.3163.5000110.9S448 N449 H455 F456S448-I452 WeakPolarHBondContact O-CD1 3.34Å; S448-I452 WeakPolarHBondContact O-CG1 3.42Å; S448-I452 PolarHBondContact O-N 2.93Å; N449-I452 PolarHBondContact O-N 2.95Å; N449-I452 VanDerWaalsContact O-N 3.12Å; I452-H455 PolarHBondContact O-N 3.39Å; I452-F456 HydrophobicContact CG2-CD2 3.77Å; I452-F456 HydrophobicContact CG2-CE2 3.56Å; I452-F456 VanDerWaalsContact O-CD2 3.29Å; I452-F456 WeakPolarHBondContact O-CD2 3.41Å; I452-F456 PolarHBondContact O-N 2.77Å
453E92.9Very high85.3Confident116 Ų116100.7 Ų100.754%0.54251%0.509SS..Hα-helixtrans-60.7-43.7174.4-71.8161.2-155.400111.1N449 H455 F456 N457N449-E453 WeakPolarHBondContact O-CB 3.29Å; N449-E453 WeakPolarHBondContact O-CG 3.22Å; N449-E453 PolarHBondContact O-N 3.43Å; E453-H455 PolarHBondContact O-N 3.19Å; E453-F456 PolarHBondContact O-N 3.08Å; E453-N457 WeakPolarHBondContact O-CB 3.22Å; E453-N457 PolarHBondContact O-N 3.11Å; E453-N457 PolarHBondContact O-OD1 3.24Å
454L95.1Very high87.2Confident109 Ų109100 Ų10057%0.57150%0.503SS*.Hα-helixtrans-63.5-37.5173.3-74.4168.3000113A450 A451 L458A450-L454 WeakPolarHBondContact O-CB 3.17Å; A450-L454 VanDerWaalsContact O-CG 3.23Å; A450-L454 WeakPolarHBondContact O-CG 3.38Å; A450-L454 PolarHBondContact O-N 2.89Å; A451-L454 PolarHBondContact O-N 3.46Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 3.15Å
455H94.4Very high89Confident110 Ų110102.9 Ų102.951%0.50951%0.509SS..Hα-helixtrans-64.2-46.7174.8-83.8-67.3000112A451 I452 E453 L458 E459A451-H455 PolarHBondContact O-CD2 3.34Å; A451-H455 PolarHBondContact O-N 3.49Å; I452-H455 PolarHBondContact O-N 3.39Å; E453-H455 PolarHBondContact O-N 3.19Å; H455-L458 PolarHBondContact O-N 2.94Å; H455-E459 WeakPolarHBondContact O-CG 3.48Å; H455-E459 PolarHBondContact O-N 2.98Å
456F94.9Very high90.9Very high131 Ų131100.9 Ų100.958%0.57550%0.501SS*.Hα-helixtrans-61.7-44175.8-79.1-61.8000112.3I452 E453 L458 E459 E460I452-F456 HydrophobicContact CG2-CD2 3.77Å; I452-F456 HydrophobicContact CG2-CE2 3.56Å; I452-F456 VanDerWaalsContact O-CD2 3.29Å; I452-F456 WeakPolarHBondContact O-CD2 3.41Å; I452-F456 PolarHBondContact O-N 2.77Å; E453-F456 PolarHBondContact O-N 3.08Å; F456-L458 VanDerWaalsContact C-N 3.28Å; F456-L458 PolarHBondContact O-N 3.48Å; F456-E459 PolarHBondContact O-N 2.98Å; F456-E460 PolarHBondContact O-N 3.49Å
457N96.2Very high92.6Very high84 Ų8497.8 Ų97.845%0.44950%0.496SS..Hα-helixtrans-63.7-33.3177.4-64.2-0.4000112.1E453 C461E453-N457 WeakPolarHBondContact O-CB 3.22Å; E453-N457 PolarHBondContact O-N 3.11Å; E453-N457 PolarHBondContact O-OD1 3.24Å; N457-C461 WeakPolarHBondContact O-CB 3.35Å; N457-C461 PolarHBondContact O-N 3.05Å; N457-C461 PolarHBondContact O-SG 3.44Å
458L97Very high93.9Very high107 Ų10797.8 Ų97.856%0.5650%0.496SS*.Hα-helixtrans-70.5-37.2174.5-76.7168.6000112.3L454 H455 F456 L462L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 VanDerWaalsContact O-CG 3.24Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 3.15Å; H455-L458 PolarHBondContact O-N 2.94Å; F456-L458 VanDerWaalsContact C-N 3.28Å; F456-L458 PolarHBondContact O-N 3.48Å; L458-L462 WeakPolarHBondContact O-CB 3.35Å; L458-L462 WeakPolarHBondContact O-CD1 3.24Å; L458-L462 WeakPolarHBondContact O-CG 3.35Å; L458-L462 PolarHBondContact O-N 3.46Å; L458-L462 VanDerWaalsContact O-N 3.12Å
459E96.9Very high94.9Very high117 Ų11797.5 Ų97.555%0.54749%0.489SS..Hα-helixtrans-65-44.2173.5-71.7175.4-178.300111.2H455 F456 L462 D463H455-E459 WeakPolarHBondContact O-CG 3.48Å; H455-E459 PolarHBondContact O-N 2.98Å; F456-E459 PolarHBondContact O-N 2.98Å; E459-L462 PolarHBondContact O-N 2.94Å; E459-D463 PolarHBondContact O-N 2.83Å; E459-D463 VanDerWaalsContact O-N 3.12Å
460E96.9Very high95.4Very high123 Ų12399.8 Ų99.858%0.57550%0.495SS*.Hα-helixtrans-59.7-52.9175.6-172.1167.8-133.900111.8F456 L462 D463 E464F456-E460 PolarHBondContact O-N 3.49Å; E460-L462 VanDerWaalsContact C-N 3.25Å; E460-L462 PolarHBondContact O-N 3.01Å; E460-D463 PolarHBondContact O-N 2.84Å; E460-D463 VanDerWaalsContact O-N 3.08Å; E460-E464 PolarHBondContact O-N 2.81Å
461C96Very high95.8Very high73 Ų73102.6 Ų102.649%0.49350%0.5SS..Hα-helixtrans-57.4-34176-75.20000113.5N457 Y465N457-C461 WeakPolarHBondContact O-CB 3.35Å; N457-C461 PolarHBondContact O-N 3.05Å; N457-C461 PolarHBondContact O-SG 3.44Å; C461-Y465 WeakPolarHBondContact O-CB 3.29Å; C461-Y465 PolarHBondContact O-N 2.99Å
462L97.4Very high96.2Very high89 Ų89105.8 Ų105.847%0.46650%0.503SS..Hα-helixtrans-72-35.2177.3-77169.8000112.2L458 E459 E460 R466L458-L462 WeakPolarHBondContact O-CB 3.35Å; L458-L462 WeakPolarHBondContact O-CD1 3.24Å; L458-L462 WeakPolarHBondContact O-CG 3.35Å; L458-L462 PolarHBondContact O-N 3.46Å; L458-L462 VanDerWaalsContact O-N 3.12Å; E459-L462 PolarHBondContact O-N 2.94Å; E460-L462 VanDerWaalsContact C-N 3.25Å; E460-L462 PolarHBondContact O-N 3.01Å; L462-R466 WeakPolarHBondContact O-CB 3.42Å; L462-R466 VanDerWaalsContact O-CD 3.29Å; L462-R466 WeakPolarHBondContact O-CD 3.42Å; L462-R466 WeakPolarHBondContact O-CG 3.15Å; L462-R466 PolarHBondContact O-N 2.66Å
463D97.1Very high96.4Very high94 Ų94107 Ų10750%0.50351%0.505SS..Hα-helixtrans-76.9-34.4175.5-84.2-19.7000113E459 E460 R466 L467E459-D463 PolarHBondContact O-N 2.83Å; E459-D463 VanDerWaalsContact O-N 3.12Å; E460-D463 PolarHBondContact O-N 2.84Å; E460-D463 VanDerWaalsContact O-N 3.08Å; D463-R466 PolarHBondContact O-N 2.73Å; D463-R466 WeakPolarHBondContact OD1-CD 3.32Å; D463-R466 IonicContact OD1-CZ 3.88Å; D463-R466 IonicContact OD1-NE 2.78Å; D463-R466 IonicContact OD1-NH1 3.21Å; D463-R466 PolarHBondContact OD1-NH1 3.29Å; D463-L467 PolarHBondContact O-N 3.45Å
464E97.2Very high96.6Very high86 Ų86107.5 Ų107.540%0.40251%0.505SS..Hα-helixtrans-58.9-48.4166.5-71.4-168.5155.600111.3E460 R466 L467 L468E460-E464 PolarHBondContact O-N 2.81Å; E464-R466 VanDerWaalsContact C-N 3.33Å; E464-R466 PolarHBondContact O-N 2.79Å; E464-L467 WeakPolarHBondContact O-CB 3.39Å; E464-L467 PolarHBondContact O-N 3.23Å; E464-L468 WeakPolarHBondContact O-CG 3.08Å; E464-L468 PolarHBondContact O-N 3.01Å
465Y96.9Very high96.6Very high152 Ų152106.4 Ų106.460%0.59650%0.503SS*.Hα-helixtrans-59.6-41.7176.3176.8-102000112.3C461 L467 L468 E469C461-Y465 WeakPolarHBondContact O-CB 3.29Å; C461-Y465 PolarHBondContact O-N 2.99Å; Y465-L467 VanDerWaalsContact C-N 3.26Å; Y465-L467 PolarHBondContact O-N 2.89Å; Y465-L468 PolarHBondContact O-N 2.93Å; Y465-E469 WeakPolarHBondContact O-CB 3.43Å; Y465-E469 PolarHBondContact O-N 3.36Å
466R97.4Very high96.4Very high134 Ų134106.3 Ų106.351%0.50650%0.503SS..Hα-helixtrans-64.8-26.9174.2-73.8159.9179.2157.54.1112.9L462 D463 E464 K470L462-R466 WeakPolarHBondContact O-CB 3.42Å; L462-R466 VanDerWaalsContact O-CD 3.29Å; L462-R466 WeakPolarHBondContact O-CD 3.42Å; L462-R466 WeakPolarHBondContact O-CG 3.15Å; L462-R466 PolarHBondContact O-N 2.66Å; D463-R466 PolarHBondContact O-N 2.73Å; D463-R466 WeakPolarHBondContact OD1-CD 3.32Å; D463-R466 IonicContact OD1-CZ 3.88Å; D463-R466 IonicContact OD1-NE 2.78Å; D463-R466 IonicContact OD1-NH1 3.21Å; D463-R466 PolarHBondContact OD1-NH1 3.29Å; E464-R466 VanDerWaalsContact C-N 3.33Å; E464-R466 PolarHBondContact O-N 2.79Å; R466-K470 VanDerWaalsContact O-CD 3.22Å; R466-K470 WeakPolarHBondContact O-CD 3.46Å; R466-K470 WeakPolarHBondContact O-CE 3.39Å; R466-K470 WeakPolarHBondContact O-CG 3.48Å
467L97Very high96.3Very high101 Ų101102.4 Ų102.453%0.52950%0.495SS..Hα-helixtrans-77.1-50.1174.3-174.262.1000110.6D463 E464 Y465 E469 K470 E471D463-L467 PolarHBondContact O-N 3.45Å; E464-L467 WeakPolarHBondContact O-CB 3.39Å; E464-L467 PolarHBondContact O-N 3.23Å; Y465-L467 VanDerWaalsContact C-N 3.26Å; Y465-L467 PolarHBondContact O-N 2.89Å; L467-E469 VanDerWaalsContact C-N 3.3Å; L467-E469 PolarHBondContact O-N 3.3Å; L467-K470 WeakPolarHBondContact O-CB 3.35Å; L467-K470 PolarHBondContact O-N 2.84Å; L467-E471 PolarHBondContact O-N 3.19Å
468L97.2Very high96.2Very high111 Ų111100.5 Ų100.558%0.58149%0.485SS*.Hα-helixtrans-56.9-41177.2-70.4171.3000112.3E464 Y465 K470 E471 R472E464-L468 WeakPolarHBondContact O-CG 3.08Å; E464-L468 PolarHBondContact O-N 3.01Å; Y465-L468 PolarHBondContact O-N 2.93Å; L468-K470 VanDerWaalsContact C-N 3.33Å; L468-K470 PolarHBondContact O-N 2.87Å; L468-E471 PolarHBondContact O-N 3.36Å; L468-R472 WeakPolarHBondContact O-CB 3.34Å; L468-R472 PolarHBondContact O-N 2.85Å
469E96.5Very high95.9Very high42 Ų42100.8 Ų100.820%0.19649%0.486CS..Hα-helixtrans-68.9-28.5177.1178.254.3-161.200113Y465 L467 R472 K473Y465-E469 WeakPolarHBondContact O-CB 3.43Å; Y465-E469 PolarHBondContact O-N 3.36Å; L467-E469 VanDerWaalsContact C-N 3.3Å; L467-E469 PolarHBondContact O-N 3.3Å; E469-R472 IonicContact OE1-CZ 3.84Å; E469-R472 IonicContact OE1-NE 3.78Å; E469-R472 IonicContact OE1-NH2 2.68Å; E469-R472 PolarHBondContact OE1-NH2 3.27Å; E469-R472 IonicContact OE2-CZ 2.77Å; E469-R472 IonicContact OE2-NE 3.65Å; E469-R472 PolarHBondContact OE2-NE 2.89Å; E469-R472 IonicContact OE2-NH2 2.89Å; E469-R472 PolarHBondContact OE2-NH2 3.03Å; E469-K473 HydrophobicContact CG-CD 4.43Å; E469-K473 WeakPolarHBondContact O-CB 3.45Å; E469-K473 WeakPolarHBondContact O-CG 3.47Å; E469-K473 PolarHBondContact O-N 3Å; E469-K473 WeakPolarHBondContact OE1-CD 3.2Å; E469-K473 WeakPolarHBondContact OE1-CE 3.28Å; E469-K473 IonicContact OE1-NZ 2.78Å; E469-K473 PolarHBondContact OE1-NZ 3.48Å
470K97.2Very high95.5Very high137 Ų13798 Ų9860%0.59648%0.483SS*.Hα-helixtrans-70.3-41.4170.5-69.7162-169.4165.10111R466 L467 L468 K473 K474R466-K470 VanDerWaalsContact O-CD 3.22Å; R466-K470 WeakPolarHBondContact O-CD 3.46Å; R466-K470 WeakPolarHBondContact O-CE 3.39Å; R466-K470 WeakPolarHBondContact O-CG 3.48Å; L467-K470 WeakPolarHBondContact O-CB 3.35Å; L467-K470 PolarHBondContact O-N 2.84Å; L468-K470 VanDerWaalsContact C-N 3.33Å; L468-K470 PolarHBondContact O-N 2.87Å; K470-K473 PolarHBondContact O-N 3.35Å; K470-K474 WeakPolarHBondContact O-CB 3.38Å; K470-K474 PolarHBondContact O-N 3.44Å
471E96.8Very high95.2Very high104 Ų104100.1 Ų100.149%0.48649%0.486SS..Hα-helixtrans-69.2-37.6177-64.7-154.4110.700112.6L467 L468 K474 T475L467-E471 PolarHBondContact O-N 3.19Å; L468-E471 PolarHBondContact O-N 3.36Å; E471-K474 PolarHBondContact O-N 3.34Å; E471-T475 WeakPolarHBondContact O-CB 3.4Å; E471-T475 WeakPolarHBondContact O-CG2 3.48Å; E471-T475 PolarHBondContact O-N 2.78Å; E471-T475 PolarHBondContact O-OG1 3.37Å
472R97.7Very high94.8Very high110 Ų110102.2 Ų102.242%0.41549%0.492SS..Hα-helixtrans-60.1-49.2171.2-163.6-162.36566.27.9111.1L468 E469 K474 T475 E476L468-R472 WeakPolarHBondContact O-CB 3.34Å; L468-R472 PolarHBondContact O-N 2.85Å; E469-R472 IonicContact OE1-CZ 3.84Å; E469-R472 IonicContact OE1-NE 3.78Å; E469-R472 IonicContact OE1-NH2 2.68Å; E469-R472 PolarHBondContact OE1-NH2 3.27Å; E469-R472 IonicContact OE2-CZ 2.77Å; E469-R472 IonicContact OE2-NE 3.65Å; E469-R472 PolarHBondContact OE2-NE 2.89Å; E469-R472 IonicContact OE2-NH2 2.89Å; E469-R472 PolarHBondContact OE2-NH2 3.03Å; R472-K474 VanDerWaalsContact C-N 3.35Å; R472-K474 PolarHBondContact O-N 2.68Å; R472-T475 WeakPolarHBondContact CA-OG1 3.29Å; R472-T475 PolarHBondContact O-N 3.45Å; R472-T475 PolarHBondContact O-OG1 2.84Å; R472-E476 IonicContact CZ-OE2 2.7Å; R472-E476 IonicContact NH1-OE2 3.62Å; R472-E476 PolarHBondContact NH1-OE2 3.37Å; R472-E476 IonicContact NH2-OE2 3.54Å; R472-E476 VanDerWaalsContact O-CB 3.27Å; R472-E476 WeakPolarHBondContact O-CB 3.43Å; R472-E476 PolarHBondContact O-N 3.38Å
473K96.4Very high94Very high117 Ų11799.6 Ų99.651%0.50948%0.478SS..Hα-helixtrans-62.1-38.8175.6-79171.6162.3123.50112.8E469 K470 A477E469-K473 HydrophobicContact CG-CD 4.43Å; E469-K473 WeakPolarHBondContact O-CB 3.45Å; E469-K473 WeakPolarHBondContact O-CG 3.47Å; E469-K473 PolarHBondContact O-N 3Å; E469-K473 WeakPolarHBondContact OE1-CD 3.2Å; E469-K473 WeakPolarHBondContact OE1-CE 3.28Å; E469-K473 IonicContact OE1-NZ 2.78Å; E469-K473 PolarHBondContact OE1-NZ 3.48Å; K470-K473 PolarHBondContact O-N 3.35Å; K473-A477 WeakPolarHBondContact O-CB 3.25Å; K473-A477 PolarHBondContact O-N 3.47Å
474K96.7Very high93.1Very high127 Ų127101.9 Ų101.955%0.55249%0.49SS*.Hα-helixtrans-64.4-49.6175.2179.5-173.8171.3-167.20111.6K470 E471 R472 E476 A477 D478K470-K474 WeakPolarHBondContact O-CB 3.38Å; K470-K474 PolarHBondContact O-N 3.44Å; E471-K474 PolarHBondContact O-N 3.34Å; R472-K474 VanDerWaalsContact C-N 3.35Å; R472-K474 PolarHBondContact O-N 2.68Å; K474-E476 VanDerWaalsContact C-N 3.34Å; K474-E476 PolarHBondContact O-N 2.83Å; K474-A477 PolarHBondContact O-N 3.48Å; K474-D478 WeakPolarHBondContact O-CB 3.48Å; K474-D478 PolarHBondContact O-N 3.27Å
475T94.8Very high91.9Very high86 Ų86102 Ų10253%0.52851%0.513SS..Hα-helixtrans-66.3-35.5179.548.70000112.3E471 R472 D478 L479E471-T475 WeakPolarHBondContact O-CB 3.4Å; E471-T475 WeakPolarHBondContact O-CG2 3.48Å; E471-T475 PolarHBondContact O-N 2.78Å; E471-T475 PolarHBondContact O-OG1 3.37Å; R472-T475 WeakPolarHBondContact CA-OG1 3.29Å; R472-T475 PolarHBondContact O-N 3.45Å; R472-T475 PolarHBondContact O-OG1 2.84Å; T475-D478 PolarHBondContact O-N 3.42Å; T475-L479 VanDerWaalsContact O-CB 3.22Å; T475-L479 WeakPolarHBondContact O-CB 3.25Å; T475-L479 PolarHBondContact O-N 3.34Å
476E91Very high90.6Very high108 Ų10898.7 Ų98.751%0.50550%0.503SS..Hα-helixtrans-63.5-45.6171.3-177.7170.1-15500111.9R472 K474 L479 A480R472-E476 IonicContact CZ-OE2 2.7Å; R472-E476 IonicContact NH1-OE2 3.62Å; R472-E476 PolarHBondContact NH1-OE2 3.37Å; R472-E476 IonicContact NH2-OE2 3.54Å; R472-E476 VanDerWaalsContact O-CB 3.27Å; R472-E476 WeakPolarHBondContact O-CB 3.43Å; R472-E476 PolarHBondContact O-N 3.38Å; K474-E476 VanDerWaalsContact C-N 3.34Å; K474-E476 PolarHBondContact O-N 2.83Å; E476-L479 PolarHBondContact O-N 2.84Å; E476-A480 WeakPolarHBondContact O-CB 3.4Å; E476-A480 PolarHBondContact O-N 2.7Å
477A92.1Very high89Confident48 Ų48102 Ų10240%0.39752%0.52SS..Hα-helixtrans-64.7-40.1174.900000112.6K473 K474 A480 R481K473-A477 WeakPolarHBondContact O-CB 3.25Å; K473-A477 PolarHBondContact O-N 3.47Å; K474-A477 PolarHBondContact O-N 3.48Å; A477-A480 PolarHBondContact O-N 3.18Å; A477-R481 VanDerWaalsContact O-CG 3.31Å; A477-R481 WeakPolarHBondContact O-CG 3.5Å; A477-R481 PolarHBondContact O-N 2.88Å
478D93.5Very high87.3Confident45 Ų45104.4 Ų104.424%0.24153%0.532CS..Hα-helixtrans-66-40.1175.4-70.4-14.8000111.3K474 T475 R481 N482K474-D478 WeakPolarHBondContact O-CB 3.48Å; K474-D478 PolarHBondContact O-N 3.27Å; T475-D478 PolarHBondContact O-N 3.42Å; D478-R481 PolarHBondContact O-N 2.93Å; D478-R481 IonicContact OD1-CZ 3.63Å; D478-R481 IonicContact OD1-NE 2.73Å; D478-R481 IonicContact OD1-NH2 3.61Å; D478-R481 PolarHBondContact OD1-NH2 3.18Å; D478-N482 WeakPolarHBondContact O-CB 3.37Å; D478-N482 VanDerWaalsContact O-CG 3.24Å; D478-N482 PolarHBondContact O-N 2.9Å; D478-N482 PolarHBondContact O-ND2 3.41Å
479L90.9Very high85.6Confident113 Ų113104.2 Ų104.259%0.59253%0.532SS*.Hα-helixtrans-64.8-42174.3-170.572.5000111.4T475 E476 N482 N483T475-L479 VanDerWaalsContact O-CB 3.22Å; T475-L479 WeakPolarHBondContact O-CB 3.25Å; T475-L479 PolarHBondContact O-N 3.34Å; E476-L479 PolarHBondContact O-N 2.84Å; L479-N482 PolarHBondContact O-N 3.39Å; L479-N483 WeakPolarHBondContact CD1-ND2 3.27Å; L479-N483 WeakPolarHBondContact O-CB 3.37Å; L479-N483 PolarHBondContact O-N 2.97Å; L479-N483 VanDerWaalsContact O-N 3.13Å; L479-N483 PolarHBondContact O-ND2 2.87Å
480A89.1Confident83.9Confident57 Ų57108.1 Ų108.147%0.47156%0.564SS.*Hα-helixtrans-61.9-47.4174.900000111.6E476 A477 N482 N483 L484E476-A480 WeakPolarHBondContact O-CB 3.4Å; E476-A480 PolarHBondContact O-N 2.7Å; A477-A480 PolarHBondContact O-N 3.18Å; A480-N482 VanDerWaalsContact C-N 3.35Å; A480-N482 PolarHBondContact O-N 2.87Å; A480-N483 PolarHBondContact O-N 3.3Å; A480-L484 WeakPolarHBondContact O-CD2 3.24Å; A480-L484 WeakPolarHBondContact O-CG 3.24Å; A480-L484 PolarHBondContact O-N 2.91Å; A480-L484 VanDerWaalsContact O-N 3.16Å
481R90.5Very high82.1Confident169 Ų169104.2 Ų104.264%0.63855%0.554SS**Hα-helixtrans-61-39.8176.7-71-169.8-59.1151.1-2.4112.8A477 D478 N483A477-R481 VanDerWaalsContact O-CG 3.31Å; A477-R481 WeakPolarHBondContact O-CG 3.5Å; A477-R481 PolarHBondContact O-N 2.88Å; D478-R481 PolarHBondContact O-N 2.93Å; D478-R481 IonicContact OD1-CZ 3.63Å; D478-R481 IonicContact OD1-NE 2.73Å; D478-R481 IonicContact OD1-NH2 3.61Å; D478-R481 PolarHBondContact OD1-NH2 3.18Å; R481-N483 VanDerWaalsContact C-N 3.31Å; R481-N483 PolarHBondContact O-N 3.39Å
482N86.9Confident80.2Confident116 Ų116101.8 Ų101.862%0.6254%0.544SS*.Hα-helixtrans-79.9-8.1-179.1-70-35.3000114.5D478 L479 A480 K486D478-N482 WeakPolarHBondContact O-CB 3.37Å; D478-N482 VanDerWaalsContact O-CG 3.24Å; D478-N482 PolarHBondContact O-N 2.9Å; D478-N482 PolarHBondContact O-ND2 3.41Å; L479-N482 PolarHBondContact O-N 3.39Å; A480-N482 VanDerWaalsContact C-N 3.35Å; A480-N482 PolarHBondContact O-N 2.87Å; N482-K486 PolarHBondContact O-NZ 3.46Å
483N81.5Confident78.6Confident35 Ų35102.6 Ų102.619%0.18756%0.557CS.*THydrogen-bonded Turntrans-128.820.4-177.8-61.9-69.9000113.8L479 A480 R481 G485 K486L479-N483 WeakPolarHBondContact CD1-ND2 3.27Å; L479-N483 WeakPolarHBondContact O-CB 3.37Å; L479-N483 PolarHBondContact O-N 2.97Å; L479-N483 VanDerWaalsContact O-N 3.13Å; L479-N483 PolarHBondContact O-ND2 2.87Å; A480-N483 PolarHBondContact O-N 3.3Å; R481-N483 VanDerWaalsContact C-N 3.31Å; R481-N483 PolarHBondContact O-N 3.39Å; N483-G485 PolarHBondContact O-N 3.32Å; N483-K486 HydrophobicContact CB-CB 4.34Å; N483-K486 HydrophobicContact CB-CD 4.11Å; N483-K486 WeakPolarHBondContact O-CB 3.27Å; N483-K486 PolarHBondContact O-N 3.06Å; N483-K486 VanDerWaalsContact OD1-CD 3.3Å; N483-K486 WeakPolarHBondContact OD1-CD 3.22Å; N483-K486 PolarHBondContact OD1-NZ 3.32Å
484L77.6Confident77.2Confident142 Ų142100.7 Ų100.774%0.74355%0.552SS**THydrogen-bonded Turntrans-49.4128.6171.3-64.7175.3000111.1A480 K486A480-L484 WeakPolarHBondContact O-CD2 3.24Å; A480-L484 WeakPolarHBondContact O-CG 3.24Å; A480-L484 PolarHBondContact O-N 2.91Å; A480-L484 VanDerWaalsContact O-N 3.16Å; L484-K486 PolarHBondContact O-N 2.66Å
485G71.3Confident75.9Confident87 Ų87100.2 Ų100.290%0.89756%0.561SS**THydrogen-bonded Turntrans77.7-15.5-178.200000115.9N483 K487N483-G485 PolarHBondContact O-N 3.32Å; G485-K487 PolarHBondContact O-N 3.01Å
486K70.1Confident75.1Confident84 Ų8499.9 Ų99.937%0.36556%0.556SS.*  trans-78.5112.3173.8-61.4178.6-167.91640109.4T189 N482 N483 L484 I488T189-K486 PolarHBondContact OG1-NZ 2.97Å; N482-K486 PolarHBondContact O-NZ 3.46Å; N483-K486 HydrophobicContact CB-CB 4.34Å; N483-K486 HydrophobicContact CB-CD 4.11Å; N483-K486 WeakPolarHBondContact O-CB 3.27Å; N483-K486 PolarHBondContact O-N 3.06Å; N483-K486 VanDerWaalsContact OD1-CD 3.3Å; N483-K486 WeakPolarHBondContact OD1-CD 3.22Å; N483-K486 PolarHBondContact OD1-NZ 3.32Å; L484-K486 PolarHBondContact O-N 2.66Å; K486-I488 PolarHBondContact O-N 3.45Å
487K64.8Low74.3Confident203 Ų20397.5 Ų97.588%0.88355%0.549SS*.  trans-65.599169.8-70.4-172177.2-174.70109.4G485 N489G485-K487 PolarHBondContact O-N 3.01Å; K487-N489 PolarHBondContact O-N 3Å
488I60.5Low73.6Confident152 Ų152106.8 Ų106.878%0.77957%0.574SS**  trans-68.973.3168.348.2159.3000109.9K486 S490K486-I488 PolarHBondContact O-N 3.45Å; I488-S490 PolarHBondContact O-N 2.72Å
489N61.7Low73.2Confident107 Ų107108.2 Ų108.257%0.57258%0.581SS**  trans-66.3114.7175.8-176.5-0.3000108.9K487 S491K487-N489 PolarHBondContact O-N 3Å; N489-S491 PolarHBondContact ND2-OG 2.89Å; N489-S491 PolarHBondContact O-N 3.48Å; N489-S491 PolarHBondContact OD1-N 2.98Å; N489-S491 VanDerWaalsContact OD1-N 3.09Å; N489-S491 PolarHBondContact OD1-OG 3.41Å
490S61.2Low72.6Confident124 Ų124106.1 Ų106.187%0.86758%0.575SS**SBendtrans-66.1-16.1-180530000113.4I488 N492I488-S490 PolarHBondContact O-N 2.72Å; S490-N492 PolarHBondContact O-N 3.13Å; S490-N492 VanDerWaalsContact O-N 3.13Å
491S58.4Low72.3Confident55 Ų55112.3 Ų112.339%0.38560%0.599SS.*SBendtrans-74.1102.6168.561.60000110.4N489 N493N489-S491 PolarHBondContact ND2-OG 2.89Å; N489-S491 PolarHBondContact O-N 3.48Å; N489-S491 PolarHBondContact OD1-N 2.98Å; N489-S491 VanDerWaalsContact OD1-N 3.09Å; N489-S491 PolarHBondContact OD1-OG 3.41Å; S491-N493 WeakPolarHBondContact CB-ND2 3.11Å; S491-N493 PolarHBondContact O-N 3.39Å; S491-N493 PolarHBondContact O-ND2 3.43Å; S491-N493 PolarHBondContact OG-ND2 2.82Å
492N57.5Low72.1Confident52 Ų52108.4 Ų108.428%0.27860%0.603SS.*  trans-69.667.8-178.6-175.715.2000112.4S490 L494 H517 A518S490-N492 PolarHBondContact O-N 3.13Å; S490-N492 VanDerWaalsContact O-N 3.13Å; N492-L494 PolarHBondContact O-N 2.88Å; N492-L494 VanDerWaalsContact OD1-CD1 3.32Å; N492-L494 WeakPolarHBondContact OD1-CD1 3.44Å; N492-L494 VanDerWaalsContact OD1-CG 3.22Å; N492-L494 WeakPolarHBondContact OD1-CG 3.31Å; N492-H517 WeakPolarHBondContact CB-O 3.13Å; N492-H517 VanDerWaalsContact ND2-CB 3.34Å; N492-H517 WeakPolarHBondContact ND2-CB 3.42Å; N492-H517 PolarHBondContact ND2-O 3.43Å; N492-A518 WeakPolarHBondContact O-CB 3.49Å
493N63.1Low72.1Confident127 Ų127104.4 Ų104.468%0.67958%0.583SS**  trans-79.835176.9-65.9-84.1000112.1S491S491-N493 WeakPolarHBondContact CB-ND2 3.11Å; S491-N493 PolarHBondContact O-N 3.39Å; S491-N493 PolarHBondContact O-ND2 3.43Å; S491-N493 PolarHBondContact OG-ND2 2.82Å
494L69Low72.5Confident78 Ų78106.3 Ų106.341%0.40860%0.596SS.*  trans-65.6125.7173.7-72.6177.6000108.9N492 I496 F514N492-L494 PolarHBondContact O-N 2.88Å; N492-L494 VanDerWaalsContact OD1-CD1 3.32Å; N492-L494 WeakPolarHBondContact OD1-CD1 3.44Å; N492-L494 VanDerWaalsContact OD1-CG 3.22Å; N492-L494 WeakPolarHBondContact OD1-CG 3.31Å; L494-I496 PolarHBondContact O-N 3.35Å; L494-F514 HydrophobicContact CD1-CD1 4.17Å; L494-F514 HydrophobicContact CD1-CE1 3.67Å
495P69.2Low73.2Confident116 Ų116107.5 Ų107.575%0.75360%0.595SS**  trans-66.7109179.127-33.1000108.8P497P495-P497 WeakPolarHBondContact O-CD 3.34Å
496I76.9Confident74.2Confident79 Ų79108.7 Ų108.741%0.40558%0.58SS.*  trans-49.3115.4-175.4-63.8153000109.3L494 R498 V511 F514 R515 A518L494-I496 PolarHBondContact O-N 3.35Å; I496-R498 PolarHBondContact O-N 2.94Å; I496-V511 HydrophobicContact CG2-CG1 3.94Å; I496-F514 HydrophobicContact CG1-CB 4.47Å; I496-R515 HydrophobicContact CD1-CG 3.89Å; I496-R515 HydrophobicContact CG1-CG 4.3Å; I496-R515 HydrophobicContact CG2-CG 3.97Å; I496-A518 HydrophobicContact CG1-CB 4.5Å
497P73.8Confident75.2Confident58 Ų58107 Ų10738%0.37758%0.575SS.*PPolyproline II helixtrans-65.4135-173.523.5-31.3000110P495 L499 V511 F514P495-P497 WeakPolarHBondContact O-CD 3.34Å; P497-L499 PolarHBondContact O-N 3.31Å; P497-V511 HydrophobicContact CG-CG2 4.19Å; P497-V511 VanDerWaalsContact O-CG2 3.31Å; P497-V511 WeakPolarHBondContact O-CG2 3.36Å; P497-F514 HydrophobicContact CG-CD2 3.84Å; P497-F514 HydrophobicContact CG-CE2 4.03Å
498R78.8Confident76.4Confident243 Ų243103.6 Ų103.692%0.91756%0.557SS**PPolyproline II helixtrans-69128.5176.7-67.3-176.1-179.7-179.20.4109.1I496I496-R498 PolarHBondContact O-N 2.94Å
499L84.8Confident77.9Confident75 Ų75102 Ų10239%0.39355%0.548SS..PPolyproline II helixtrans-55139.8175.4-72.4174.6000111.1P497 P503 D507 V511P497-L499 PolarHBondContact O-N 3.31Å; L499-P503 HydrophobicContact CB-CB 4.03Å; L499-P503 HydrophobicContact CB-CG 4.33Å; L499-P503 HydrophobicContact CD1-CB 4.22Å; L499-P503 HydrophobicContact CD1-CG 4.24Å; L499-P503 HydrophobicContact CD2-CB 3.89Å; L499-P503 HydrophobicContact CG-CB 4.27Å; L499-D507 HydrophobicContact CD2-CB 3.75Å; L499-D507 WeakPolarHBondContact CD2-O 3.33Å; L499-V511 HydrophobicContact CD2-CB 3.98Å; L499-V511 HydrophobicContact CD2-CG2 3.54Å; L499-V511 HydrophobicContact CG-CB 4.4Å; L499-V511 HydrophobicContact CG-CG1 4.44Å; L499-V511 HydrophobicContact CG-CG2 4.02Å
500P79.1Confident79.2Confident70 Ų70100.2 Ų100.246%0.45554%0.537SS..PPolyproline II helixtrans-65.2162.6171.629.8-35.3000110.7A502 P503P500-A502 PolarHBondContact O-N 3.41Å; P500-P503 HydrophobicContact CG-CB 4.45Å; P500-P503 VanDerWaalsContact O-CD 3.28Å; P500-P503 WeakPolarHBondContact O-CD 3.02Å
501L82.5Confident80.4Confident186 Ų18695.1 Ų95.197%0.97450%0.501SS*.SBendtrans-59.3-22.2-171.7-164.167.5000114.3
502A85.8Confident81.7Confident88 Ų8896.1 Ų96.173%0.72750%0.502SS*.SBendtrans-129.484.1171.300000109.9P500P500-A502 PolarHBondContact O-N 3.41Å
503P85.8Confident83.1Confident32 Ų3298.6 Ų98.621%0.20851%0.511CS..  trans-82124.8-171.328.9-29000112.2L499 P500 D507 R508L499-P503 HydrophobicContact CB-CB 4.03Å; L499-P503 HydrophobicContact CB-CG 4.33Å; L499-P503 HydrophobicContact CD1-CB 4.22Å; L499-P503 HydrophobicContact CD1-CG 4.24Å; L499-P503 HydrophobicContact CD2-CB 3.89Å; L499-P503 HydrophobicContact CG-CB 4.27Å; P500-P503 HydrophobicContact CG-CB 4.45Å; P500-P503 VanDerWaalsContact O-CD 3.28Å; P500-P503 WeakPolarHBondContact O-CD 3.02Å; P503-D507 HydrophobicContact CB-CB 4.13Å; P503-R508 HydrophobicContact CB-CG 4.39Å; P503-R508 PolarHBondContact O-NE 3Å; P503-R508 VanDerWaalsContact O-NE 3.08Å; P503-R508 PolarHBondContact O-NH2 3.04Å
504T90.9Very high84.1Confident75 Ų7594.5 Ų94.546%0.4649%0.487SS..  trans-65.4173174.8720000111.5I506 D507 R508T504-I506 PolarHBondContact O-N 3.13Å; T504-I506 PolarHBondContact OG1-N 3.14Å; T504-D507 WeakPolarHBondContact CA-OD2 3.19Å; T504-D507 VanDerWaalsContact CB-OD2 3.24Å; T504-D507 WeakPolarHBondContact CB-OD2 3.38Å; T504-D507 WeakPolarHBondContact CG2-OD2 3.33Å; T504-D507 PolarHBondContact N-OD2 2.79Å; T504-D507 PolarHBondContact O-N 3.22Å; T504-D507 PolarHBondContact OG1-N 2.75Å; T504-D507 PolarHBondContact OG1-OD2 2.73Å; T504-R508 WeakPolarHBondContact O-CG 3.32Å; T504-R508 PolarHBondContact O-N 3.09Å
505K92.9Very high84.8Confident166 Ų16697.7 Ų97.772%0.72249%0.493SS*.Hα-helixtrans-59.9-36.4171.7-174.6178.5176.3-176.60111.8M509K505-M509 HydrophobicContact CG-SD 4.1Å; K505-M509 WeakPolarHBondContact O-CG 3.41Å; K505-M509 PolarHBondContact O-N 3Å; K505-M509 VanDerWaalsContact O-N 3.11Å
506I91.7Very high85.3Confident113 Ų11397.4 Ų97.458%0.57948%0.482SS*.Hα-helixtrans-70.5-44.7-178-62.5170.4000110.4T504 R508 M509 L510T504-I506 PolarHBondContact O-N 3.13Å; T504-I506 PolarHBondContact OG1-N 3.14Å; I506-R508 VanDerWaalsContact C-N 3.26Å; I506-R508 PolarHBondContact O-N 2.92Å; I506-M509 PolarHBondContact O-N 3.46Å; I506-L510 WeakPolarHBondContact O-CB 3.36Å; I506-L510 PolarHBondContact O-N 3.48Å
507D90.6Very high85.2Confident47 Ų4798.5 Ų98.525%0.25149%0.485SS..Hα-helixtrans-58.1-40.8178.4-55.3-53.9000111.7L499 P503 T504 V511L499-D507 HydrophobicContact CD2-CB 3.75Å; L499-D507 WeakPolarHBondContact CD2-O 3.33Å; P503-D507 HydrophobicContact CB-CB 4.13Å; T504-D507 WeakPolarHBondContact CA-OD2 3.19Å; T504-D507 VanDerWaalsContact CB-OD2 3.24Å; T504-D507 WeakPolarHBondContact CB-OD2 3.38Å; T504-D507 WeakPolarHBondContact CG2-OD2 3.33Å; T504-D507 PolarHBondContact N-OD2 2.79Å; T504-D507 PolarHBondContact O-N 3.22Å; T504-D507 PolarHBondContact OG1-N 2.75Å; T504-D507 PolarHBondContact OG1-OD2 2.73Å; D507-V511 WeakPolarHBondContact O-CB 3.38Å; D507-V511 WeakPolarHBondContact O-CG2 3.38Å; D507-V511 PolarHBondContact O-N 3.2Å
508R91.1Very high85Confident133 Ų13397 Ų9750%0.50248%0.478SS..Hα-helixtrans-64.5-52176.7-64.7167.4-165.3-117.73.8111.2P503 T504 I506 L510 V511 D512P503-R508 HydrophobicContact CB-CG 4.39Å; P503-R508 PolarHBondContact O-NE 3Å; P503-R508 VanDerWaalsContact O-NE 3.08Å; P503-R508 PolarHBondContact O-NH2 3.04Å; T504-R508 WeakPolarHBondContact O-CG 3.32Å; T504-R508 PolarHBondContact O-N 3.09Å; I506-R508 VanDerWaalsContact C-N 3.26Å; I506-R508 PolarHBondContact O-N 2.92Å; R508-L510 VanDerWaalsContact C-N 3.27Å; R508-L510 PolarHBondContact O-N 2.91Å; R508-V511 PolarHBondContact O-N 3.35Å; R508-D512 WeakPolarHBondContact O-CB 3.42Å; R508-D512 PolarHBondContact O-N 2.89Å
509M90.4Very high84.5Confident119 Ų11993.1 Ų93.159%0.58646%0.463SS*.Hα-helixtrans-57.3-39.8177.6-71.917563.700112.3K505 I506 F513K505-M509 HydrophobicContact CG-SD 4.1Å; K505-M509 WeakPolarHBondContact O-CG 3.41Å; K505-M509 PolarHBondContact O-N 3Å; K505-M509 VanDerWaalsContact O-N 3.11Å; I506-M509 PolarHBondContact O-N 3.46Å; M509-F513 VanDerWaalsContact O-CB 3.29Å; M509-F513 WeakPolarHBondContact O-CB 3.44Å; M509-F513 PolarHBondContact O-N 2.93Å
510L89.3Confident83.4Confident68 Ų6894.4 Ų94.436%0.35648%0.476SS..Hα-helixtrans-68.2-42.2177.8-177.261.7000112.2I506 R508 F514I506-L510 WeakPolarHBondContact O-CB 3.36Å; I506-L510 PolarHBondContact O-N 3.48Å; R508-L510 VanDerWaalsContact C-N 3.27Å; R508-L510 PolarHBondContact O-N 2.91Å; L510-F514 HydrophobicContact CD1-CD2 4.14Å; L510-F514 HydrophobicContact CD1-CE2 3.56Å; L510-F514 HydrophobicContact CD1-CZ 4.08Å; L510-F514 HydrophobicContact CD2-CE2 4.27Å; L510-F514 HydrophobicContact CG-CD2 4.03Å; L510-F514 HydrophobicContact CG-CE2 3.65Å; L510-F514 WeakPolarHBondContact O-CD2 3.48Å; L510-F514 PolarHBondContact O-N 3.39Å
511V86.8Confident82.8Confident17 Ų1797 Ų9710%0.10349%0.493CS..Hα-helixtrans-68.9-37.7175.91650000112.1I496 P497 L499 D507 R508 F514 R515I496-V511 HydrophobicContact CG2-CG1 3.94Å; P497-V511 HydrophobicContact CG-CG2 4.19Å; P497-V511 VanDerWaalsContact O-CG2 3.31Å; P497-V511 WeakPolarHBondContact O-CG2 3.36Å; L499-V511 HydrophobicContact CD2-CB 3.98Å; L499-V511 HydrophobicContact CD2-CG2 3.54Å; L499-V511 HydrophobicContact CG-CB 4.4Å; L499-V511 HydrophobicContact CG-CG1 4.44Å; L499-V511 HydrophobicContact CG-CG2 4.02Å; D507-V511 WeakPolarHBondContact O-CB 3.38Å; D507-V511 WeakPolarHBondContact O-CG2 3.38Å; D507-V511 PolarHBondContact O-N 3.2Å; R508-V511 PolarHBondContact O-N 3.35Å; V511-F514 PolarHBondContact O-N 3.16Å; V511-R515 HydrophobicContact CG1-CG 4.44Å; V511-R515 WeakPolarHBondContact O-CB 3.32Å; V511-R515 VanDerWaalsContact O-CG 3.25Å; V511-R515 WeakPolarHBondContact O-CG 3.22Å; V511-R515 PolarHBondContact O-N 3.26Å
512D86.7Confident82Confident77 Ų7790.9 Ų90.941%0.41247%0.474SS..Hα-helixtrans-70.1-37.7176.3-71.7-39.3000111.7R508 R515 E516R508-D512 WeakPolarHBondContact O-CB 3.42Å; R508-D512 PolarHBondContact O-N 2.89Å; D512-R515 PolarHBondContact O-N 3.01Å; D512-R515 IonicContact OD1-CZ 2.66Å; D512-R515 IonicContact OD1-NH1 3.6Å; D512-R515 PolarHBondContact OD1-NH1 2.97Å; D512-E516 WeakPolarHBondContact O-CB 3.45Å; D512-E516 PolarHBondContact O-N 3.42Å
513F86.5Confident81.2Confident104 Ų10492.3 Ų92.346%0.45648%0.476SS..Hα-helixtrans-57.4-47.5168.2176.9-91.6000111.9M509 R515 E516 H517M509-F513 VanDerWaalsContact O-CB 3.29Å; M509-F513 WeakPolarHBondContact O-CB 3.44Å; M509-F513 PolarHBondContact O-N 2.93Å; F513-R515 VanDerWaalsContact C-N 3.34Å; F513-R515 PolarHBondContact O-N 2.98Å; F513-E516 PolarHBondContact O-N 3.29Å; F513-H517 AromaticContact CD2-CD2 3.52Å; F513-H517 AromaticContact CD2-NE2 3.58Å; F513-H517 AromaticContact CE1-CD2 3.85Å; F513-H517 AromaticContact CE2-CD2 3.34Å; F513-H517 WeakPolarHBondContact CE2-CD2 3.24Å; F513-H517 AromaticContact CE2-NE2 3.2Å; F513-H517 WeakPolarHBondContact CE2-NE2 3.31Å; F513-H517 AromaticContact CG-CD2 3.86Å; F513-H517 AromaticContact CZ-CD2 3.51Å; F513-H517 AromaticContact CZ-NE2 3.72Å; F513-H517 PolarHBondContact O-CD2 2.91Å; F513-H517 VanDerWaalsContact O-CD2 3.27Å; F513-H517 PolarHBondContact O-N 2.81Å
514F84Confident80Confident41 Ų4196.2 Ų96.218%0.1850%0.502CS..Hα-helixtrans-63.3-37.1174.5-75-54.1000112.6L494 I496 P497 L510 V511 A518L494-F514 HydrophobicContact CD1-CD1 4.17Å; L494-F514 HydrophobicContact CD1-CE1 3.67Å; I496-F514 HydrophobicContact CG1-CB 4.47Å; P497-F514 HydrophobicContact CG-CD2 3.84Å; P497-F514 HydrophobicContact CG-CE2 4.03Å; L510-F514 HydrophobicContact CD1-CD2 4.14Å; L510-F514 HydrophobicContact CD1-CE2 3.56Å; L510-F514 HydrophobicContact CD1-CZ 4.08Å; L510-F514 HydrophobicContact CD2-CE2 4.27Å; L510-F514 HydrophobicContact CG-CD2 4.03Å; L510-F514 HydrophobicContact CG-CE2 3.65Å; L510-F514 WeakPolarHBondContact O-CD2 3.48Å; L510-F514 PolarHBondContact O-N 3.39Å; V511-F514 PolarHBondContact O-N 3.16Å; F514-A518 WeakPolarHBondContact O-CB 3.3Å; F514-A518 PolarHBondContact O-N 3.2Å
515R82.9Confident78.4Confident144 Ų144102 Ų10254%0.54352%0.523SS..Hα-helixtrans-69.3-34.1176.6-73.9170.870.6-1390.5113.4I496 V511 D512 F513 R519I496-R515 HydrophobicContact CD1-CG 3.89Å; I496-R515 HydrophobicContact CG1-CG 4.3Å; I496-R515 HydrophobicContact CG2-CG 3.97Å; V511-R515 HydrophobicContact CG1-CG 4.44Å; V511-R515 WeakPolarHBondContact O-CB 3.32Å; V511-R515 VanDerWaalsContact O-CG 3.25Å; V511-R515 WeakPolarHBondContact O-CG 3.22Å; V511-R515 PolarHBondContact O-N 3.26Å; D512-R515 PolarHBondContact O-N 3.01Å; D512-R515 IonicContact OD1-CZ 2.66Å; D512-R515 IonicContact OD1-NH1 3.6Å; D512-R515 PolarHBondContact OD1-NH1 2.97Å; F513-R515 VanDerWaalsContact C-N 3.34Å; F513-R515 PolarHBondContact O-N 2.98Å; R515-R519 PolarHBondContact O-N 3.21Å
516E80.5Confident76.4Confident110 Ų110102.8 Ų102.851%0.51453%0.529SS..Hα-helixtrans-67.7-52.4175179.9115.7-10100110.8D512 F513 R519D512-E516 WeakPolarHBondContact O-CB 3.45Å; D512-E516 PolarHBondContact O-N 3.42Å; F513-E516 PolarHBondContact O-N 3.29Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.32Å; E516-R519 IonicContact OE1-CZ 3.68Å; E516-R519 IonicContact OE1-NH1 2.66Å; E516-R519 PolarHBondContact OE1-NH1 2.67Å; E516-R519 IonicContact OE1-NH2 2.7Å
517H74.6Confident74.4Confident102 Ų102100.9 Ų100.947%0.47254%0.537SS..Hα-helixtrans-80.9-17.1-176.1-66.6-66.2000114.4N492 F513N492-H517 WeakPolarHBondContact CB-O 3.13Å; N492-H517 VanDerWaalsContact ND2-CB 3.34Å; N492-H517 WeakPolarHBondContact ND2-CB 3.42Å; N492-H517 PolarHBondContact ND2-O 3.43Å; F513-H517 AromaticContact CD2-CD2 3.52Å; F513-H517 AromaticContact CD2-NE2 3.58Å; F513-H517 AromaticContact CE1-CD2 3.85Å; F513-H517 AromaticContact CE2-CD2 3.34Å; F513-H517 WeakPolarHBondContact CE2-CD2 3.24Å; F513-H517 AromaticContact CE2-NE2 3.2Å; F513-H517 WeakPolarHBondContact CE2-NE2 3.31Å; F513-H517 AromaticContact CG-CD2 3.86Å; F513-H517 AromaticContact CZ-CD2 3.51Å; F513-H517 AromaticContact CZ-NE2 3.72Å; F513-H517 PolarHBondContact O-CD2 2.91Å; F513-H517 VanDerWaalsContact O-CD2 3.27Å; F513-H517 PolarHBondContact O-N 2.81Å
518A69.9Low72.5Confident28 Ų28104.1 Ų104.123%0.23156%0.564CS.*THydrogen-bonded Turntrans-91.42.4168.800000113.1N492 I496 F514 P520N492-A518 WeakPolarHBondContact O-CB 3.49Å; I496-A518 HydrophobicContact CG1-CB 4.5Å; F514-A518 WeakPolarHBondContact O-CB 3.3Å; F514-A518 PolarHBondContact O-N 3.2Å; A518-P520 VanDerWaalsContact O-CD 3.24Å; A518-P520 WeakPolarHBondContact O-CD 3.35Å
519R66.9Low70.7Confident161 Ų161102.4 Ų102.461%0.60857%0.572SS**SBendtrans-61.6117166.5-175.8-172.9-72.9120-9.6107.3R515 E516R515-R519 PolarHBondContact O-N 3.21Å; E516-R519 WeakPolarHBondContact O-CB 3.44Å; E516-R519 PolarHBondContact O-N 3.32Å; E516-R519 IonicContact OE1-CZ 3.68Å; E516-R519 IonicContact OE1-NH1 2.66Å; E516-R519 PolarHBondContact OE1-NH1 2.67Å; E516-R519 IonicContact OE1-NH2 2.7Å
520P63.5Low69.1Low101 Ų101102.1 Ų102.166%0.65658%0.579SS**PPolyproline II helixtrans-58.4147175.4-21.533.6000109.5A518 G522A518-P520 VanDerWaalsContact O-CD 3.24Å; A518-P520 WeakPolarHBondContact O-CD 3.35Å; P520-G522 PolarHBondContact O-N 3.03Å
521P65.2Low67.2Low126 Ų126108.9 Ų108.982%0.81861%0.606SS**PPolyproline II helixtrans-52.9122.9163.925.1-32.8000107
522G66.9Low65.6Low56 Ų56116 Ų11658%0.57764%0.643SS**PPolyproline II helixtrans-55.9150.4-176.400000110.2P520P520-G522 PolarHBondContact O-N 3.03Å
523P68.2Low63.6Low118 Ų118127.2 Ų127.277%0.76668%0.679SS**PPolyproline II helixtrans-51.6131.2173.224.8-33.7000107.8H525P523-H525 PolarHBondContact O-N 3.35Å; P523-H525 VanDerWaalsContact O-N 3.14Å
524P60.2Low62.5Low114 Ų114128.4 Ų128.474%0.7469%0.69SS**PPolyproline II helixtrans-54.5129-179.523.3-33.2000107.3Q526P524-Q526 VanDerWaalsContact C-N 3.32Å; P524-Q526 PolarHBondContact O-N 3.39Å
525H57.9Low61.4Low198 Ų198132.9 Ų132.992%0.91772%0.717SS**  trans-56.7101.2178-94.5-78.8000107.7P523 G527P523-H525 PolarHBondContact O-N 3.35Å; P523-H525 VanDerWaalsContact O-N 3.14Å; H525-G527 VanDerWaalsContact C-N 3.31Å; H525-G527 PolarHBondContact O-N 2.9Å
526Q51.2Low60.2Low182 Ų182132.3 Ų132.385%0.8573%0.727SS**  trans-62.1103.3168.4-70.4-171.94.700105.1P524 S528P524-Q526 VanDerWaalsContact C-N 3.32Å; P524-Q526 PolarHBondContact O-N 3.39Å; Q526-S528 PolarHBondContact O-N 3.47Å
527G48.3Very low59Low72 Ų72133.6 Ų133.674%0.74274%0.739SS**  trans-56.7109178.700000107.4H525 S529H525-G527 VanDerWaalsContact C-N 3.31Å; H525-G527 PolarHBondContact O-N 2.9Å; G527-S529 PolarHBondContact O-N 2.9Å
528S51.6Low58Low116 Ų116135.6 Ų135.681%0.81176%0.756SS**  trans-71.177.1179.957.40000108.4Q526Q526-S528 PolarHBondContact O-N 3.47Å
529S52.7Low57.2Low97 Ų97142.8 Ų142.868%0.67879%0.791SS**  trans-52.5125.5171.8-171.30000107.4G527 F531G527-S529 PolarHBondContact O-N 2.9Å; S529-F531 PolarHBondContact O-N 3.21Å
530P57.1Low56.5Low112 Ų112141.5 Ų141.573%0.72780%0.804SS**  trans-64.1112.7-177.625.9-32.8000108.3L532P530-L532 PolarHBondContact O-N 3.38Å
531F49.2Very low56Low210 Ų210144.6 Ų144.692%0.92182%0.815SS**  trans-58.6105.3172.3-112.2-92.4000108.4S529S529-F531 PolarHBondContact O-N 3.21Å
532L54.1Low55.2Low167 Ų167146.2 Ų146.287%0.87482%0.815SS**  trans-64.7149.6163.7-79.4166.7000108.9P530P530-L532 PolarHBondContact O-N 3.38Å
533R45.2Very low54.1Low312 Ų312154.4 Ų154.4100%1.17784%0.837SS**  trans-99.70-160.7-163.6-169.5-157.3-166.18.5112.8

Retrieved 533 of 533 residues in 130.8 ms (Link to these results)