A0A2K6DWG5_MACNE Loading...

TAL bHLH transcription factor 1, erythroid differentiation factor

AlphaFold DB , UniProt , Accession A0A2K6DWG5, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene TAL1, Length 331 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
1M36.4Very low47.7Very low243 Ų243154.6 Ų154.6100%1.19784%0.843SS**  0134.80-81.6166155.300107.2
2T48.3Very low47.1Very low126 Ų126151.8 Ų151.877%0.77384%0.843SS**  trans-24.9132178.9-38.90000116.3
3E41.8Very low46.4Very low182 Ų182152.1 Ų152.185%0.8584%0.842SS**  trans-148.6110.1147-75.3-65.795.600108
4R48.7Very low46.5Very low224 Ų224149.4 Ų149.485%0.84584%0.835SS**  trans-82.8164138.1-61.1-174-154.8-173.65.9105.3
5P62.7Low45.8Very low113 Ų113150.9 Ų150.973%0.73483%0.833SS**  cis-149.4-14234.339-12.2000109.8
6P56.7Low45.6Very low111 Ų111150.4 Ų150.472%0.72183%0.828SS**  cis-134.6173.7-10.332.9-9.8000116.5
7T53.3Low45Very low129 Ų129152.3 Ų152.379%0.79183%0.829SS**  trans-54.5139.7159.343.50000113.5
8E44.8Very low44.5Very low192 Ų192147.7 Ų147.790%0.89782%0.823SS**  trans-154132.2142.1-99.4-143122.700111.4
9A45.1Very low44.4Very low98 Ų98152.3 Ų152.381%0.8183%0.826SS**  trans-97.8132.9165.500000107.4
10A43.3Very low44.1Very low95 Ų95152.4 Ų152.479%0.78583%0.826SS**  trans-154.5124.516200000111
11H43.9Very low43.9Very low188 Ų188149.4 Ų149.487%0.8782%0.822SS**  trans-47.5147.1163.1-90.7-81.6000113.2
12S40.1Very low43.9Very low120 Ų120142.3 Ų142.384%0.83980%0.803SS**  177.8117.4128.1-73.10000111.4
13D38.5Very low43.4Very low156 Ų156143.7 Ų143.783%0.83480%0.8SS**  trans-67.9166.3151.6-92.7-42.6000109.5
14P47.4Very low43.2Very low114 Ų114139.8 Ų139.874%0.7480%0.799SS**  cis-146.51643136.7-13.8000118.6
15Q36.3Very low43Very low172 Ų172139 Ų13980%0.80480%0.796SS**  trans16.8131.1137.5-154.2158.2-41.700120.5
16L41.9Very low42.2Very low144 Ų144142.5 Ų142.575%0.75481%0.805SS**  177.6122.4126.9-91.2168.9000113.6
17E36.1Very low41.6Very low182 Ų182141.5 Ų141.585%0.8581%0.806SS**  trans51.7139.1139.5-73.5-167.7112.400125.7
18G35.4Very low41.5Very low70 Ų70140.7 Ų140.772%0.72280%0.803SS**  trans113.582.7145.100000115
19R42.3Very low42.1Very low234 Ų234137.6 Ų137.688%0.88380%0.799SS**  54.9105.597.3-73.4-174.8169.6157.8-0.7115.1
20D39Very low42.3Very low155 Ų155140.8 Ų140.883%0.82980%0.797SS**  168.7108.6124.3-85.1-35.3000107.3
21A39.4Very low42.5Very low89 Ų89143.6 Ų143.674%0.73680%0.798SS**  68121.485.900000114
22A36.6Very low42.9Very low95 Ų95139.3 Ų139.379%0.78579%0.785SS**  trans90.8110.8150.600000119.7
23E37.2Very low43.4Very low154 Ų154141.1 Ų141.172%0.7279%0.785SS**  94.190.9124.3-156.9169.4161.200119.4R25E23-R25 HydrophobicContact CG-CG 4.09Å; E23-R25 IonicContact OE1-NE 3.54Å
24A37.8Very low44Very low100 Ų100140.4 Ų140.483%0.82678%0.78SS**  trans-142.282.914200000107.4
25R44.2Very low44.1Very low209 Ų209142.1 Ų142.179%0.78978%0.783SS**  60.9113.298.3-76.8-173.9153.6-129.6-5.1113.9E23E23-R25 HydrophobicContact CG-CG 4.09Å; E23-R25 IonicContact OE1-NE 3.54Å
26M46.9Very low44.6Very low185 Ų185138 Ų13891%0.91179%0.786SS**  trans-35.2128.7168.6-71.2-17184.400114
27A44Very low44.6Very low91 Ų91136.7 Ų136.775%0.75278%0.784SS**  trans-123.5121.3151.300000107.9
28P51.2Low44.7Very low112 Ų112133.1 Ų133.173%0.72779%0.786SS**  trans-78.6133.2-178.429.9-31.5000110.8H30P28-H30 PolarHBondContact O-N 3.29Å
29P57.6Low45Very low126 Ų126138.8 Ų138.882%0.81879%0.791SS**  trans-74.1120.6169.228.2-30.4000110L31P29-L31 PolarHBondContact O-N 3.21Å
30H49.8Very low45.3Very low166 Ų166136.3 Ų136.377%0.76979%0.789SS**  trans-48.6114.8-179.8-166.3-85.9000113.3P28 V32P28-H30 PolarHBondContact O-N 3.29Å; H30-V32 WeakPolarHBondContact ND1-CG2 3.12Å; H30-V32 PolarHBondContact O-N 2.95Å; H30-V32 VanDerWaalsContact O-N 3.17Å
31L47.9Very low45.6Very low153 Ų153134.4 Ų134.480%0.80178%0.783SS**  trans-68.8100.8166-100154.7000109.2P29 L33P29-L31 PolarHBondContact O-N 3.21Å; L31-L33 PolarHBondContact O-N 3.39Å
32V51.4Low45.8Very low99 Ų99135.8 Ų135.860%0.679%0.788SS**  trans-81.1100.8166.1-178.30000108.1H30 L34H30-V32 WeakPolarHBondContact ND1-CG2 3.12Å; H30-V32 PolarHBondContact O-N 2.95Å; H30-V32 VanDerWaalsContact O-N 3.17Å; V32-L34 HydrophobicContact CG1-CD1 3.76Å; V32-L34 HydrophobicContact CG1-CG 4.16Å; V32-L34 PolarHBondContact O-N 3.4Å
33L51.1Low46Very low158 Ų158143 Ų14383%0.82779%0.794SS**  trans-73101.1164.6-92.993.7000109.4L31L31-L33 PolarHBondContact O-N 3.39Å
34L50.7Low45.8Very low140 Ų140140.6 Ų140.673%0.73380%0.801SS**  trans-111.4104.8160.9-92.5153.1000108.2V32 G36V32-L34 HydrophobicContact CG1-CD1 3.76Å; V32-L34 HydrophobicContact CG1-CG 4.16Å; V32-L34 PolarHBondContact O-N 3.4Å; L34-G36 PolarHBondContact O-N 3.28Å
35N48.8Very low45.9Very low150 Ų150140.5 Ų140.580%0.80280%0.8SS**THydrogen-bonded Turntrans41.867.3162.5-69.9-5.7000117.1V37N35-V37 VanDerWaalsContact C-N 3.29Å; N35-V37 PolarHBondContact O-N 3.41Å
36G47.1Very low46Very low85 Ų85136.8 Ų136.888%0.87680%0.803SS**THydrogen-bonded Turntrans52.527.6142.900000119.4L34L34-G36 PolarHBondContact O-N 3.28Å
37V41.3Very low45.7Very low118 Ų118132.8 Ų132.872%0.71580%0.799SS**  trans-139.4100.4170.6177.10000108.7N35 K39N35-V37 VanDerWaalsContact C-N 3.29Å; N35-V37 PolarHBondContact O-N 3.41Å; V37-K39 PolarHBondContact O-N 2.82Å
38A38.8Very low45.8Very low107 Ų107137.4 Ų137.488%0.88481%0.805SS**  trans-71.6115.4162.500000107.8
39K41.6Very low45.8Very low189 Ų189137.6 Ų137.682%0.82281%0.806SS**  trans-107.196.8170.7-157.7-173.2-176.2-170.50106.8V37V37-K39 PolarHBondContact O-N 2.82Å
40E48.3Very low45.3Very low181 Ų181137.3 Ų137.385%0.84681%0.805SS**  trans-88.2128.2173.1-165.7177.6124.100109.6
41T46.8Very low44.9Very low116 Ų116135.8 Ų135.871%0.71281%0.807SS**  trans-109.2119.1168.553.40000108.1
42S42.7Very low44.6Very low118 Ų118135.3 Ų135.383%0.82580%0.803SS**  trans161.2157.4133.361.30000111.1
43R41.1Very low44.4Very low246 Ų246139.3 Ų139.393%0.92882%0.816SS**  trans-114.6130.4-168.6174.4-174.2-176.4168.21.6109
44A33.9Very low43.8Very low104 Ų104139.7 Ų139.786%0.8682%0.818SS**  trans-163.4155.6154.400000110.7
45A38.4Very low43Very low98 Ų98136.9 Ų136.981%0.8182%0.823SS**  trans-92.1-171.6-152.700000115.5
46P47.1Very low42.4Very low131 Ų131134.7 Ų134.785%0.85183%0.825SS**  trans-87.7153-142.337.9-38.8000115.5
47A39.2Very low41.8Very low100 Ų100142.9 Ų142.983%0.82683%0.83SS**  trans-136.5133.5164.800000109.9
48E46.3Very low41.3Very low189 Ų189141 Ų14188%0.88383%0.834SS**PPolyproline II helixtrans-66152.4-177.1-61.2-157.1150.800113.6
49P52.4Low41.1Very low115 Ų115139.5 Ų139.575%0.74783%0.83SS**PPolyproline II helixtrans-87.3143.8176.333.5-32.5000112.9
50P46Very low41.4Very low120 Ų120137.3 Ų137.378%0.77983%0.834SS**PPolyproline II helixtrans-78.8141.3-177.131.5-33.6000113
51V42.8Very low40.7Very low134 Ų134132.5 Ų132.581%0.81283%0.834SS**PPolyproline II helixtrans-81.4131.5173.1176.40000109.6
52I41.9Very low39.8Very low143 Ų143131 Ų13173%0.73384%0.841SS**  trans-126.9107.9169.4-56.7176000108.3L54I52-L54 HydrophobicContact CG2-CG 4.38Å
53E45.8Very low39.4Very low184 Ų184129 Ų12986%0.8684%0.839SS**  trans-79.5135.8165.7-80.6-161.4145.100110.3
54L38.9Very low40.1Very low166 Ų166123.5 Ų123.587%0.86984%0.835SS**  trans-126114.7167.1-76.5168.7000109.6I52I52-L54 HydrophobicContact CG2-CG 4.38Å
55G33.8Very low40.3Very low81 Ų81123.3 Ų123.384%0.83583%0.834SS**  trans-70.7152.9-176.700000114.7
56A36.4Very low40.2Very low104 Ų104124.4 Ų124.486%0.8684%0.835SS**  trans-72.8144-178.100000113.7
57R34.4Very low39.6Very low256 Ų256122.1 Ų122.197%0.96684%0.836SS**  trans-133.7133.3153.3-79.3-155.3147.5-163.7-6.3110.8
58G30.8Very low39.2Very low79 Ų79121.5 Ų121.581%0.81484%0.839SS**  trans-79.5173.6-160.600000117.2
59G35.6Very low38.5Very low76 Ų76116.3 Ų116.378%0.78484%0.836SS**  trans-72-173.9176.200000114.5
60P47.8Very low37.7Very low142 Ų142116 Ų11692%0.92284%0.844SS**  -142.2171.988.834.2-16000111.3
61G31.7Very low37.4Very low81 Ų81114.5 Ų114.584%0.83584%0.841SS**  cis146.2139.71500000107.1
62G29.8Very low37.4Very low84 Ų84120 Ų12087%0.86685%0.847SS**  trans155.9103170.100000115.4
63G32.4Very low37.2Very low75 Ų75120.2 Ų120.277%0.77385%0.85SS**  trans-86.3-154.7164.600000112
64P57Low37.1Very low132 Ų132119.1 Ų119.186%0.85785%0.849SS**  cis-147.3-164.19.641.9-19.8000116.4
65A36.9Very low36.9Very low100 Ų100120.8 Ų120.883%0.82685%0.849SS**  trans93.8139.9161.500000117.3
66S37.4Very low36.9Very low120 Ų120120.3 Ų120.384%0.83985%0.845SS**  cis-160.8160.223.166.70000113.1
67G33.3Very low37Very low84 Ų84127.1 Ų127.187%0.86685%0.848SS**  trans79.2128.8155.400000117.6
68G32.1Very low36.9Very low86 Ų86122.8 Ų122.889%0.88784%0.844SS**  cis147.4130.78.400000108.4
69G31.6Very low37.6Very low80 Ų80123.3 Ų123.383%0.82584%0.84SS**  trans127.595.1158.500000119.5
70A35.6Very low37.8Very low110 Ų110125.4 Ų125.491%0.90984%0.84SS**  trans63.1121.1139.200000122.7
71A39.3Very low37.1Very low87 Ų87123.1 Ų123.172%0.71983%0.833SS**  trans-78.6153.1178.400000115.1
72R42Very low37.4Very low251 Ų251123.9 Ų123.995%0.94783%0.832SS**  -156.4129129.3-62.6-158.2173.8179.9-3111.1
73D38Very low37.4Very low146 Ų146129 Ų12978%0.78183%0.833SS**  trans-67.2147.7176-67.9-91.3000114.8
74L45.3Very low38.1Very low162 Ų162129.7 Ų129.785%0.84883%0.832SS**  170.5118116.8-89.4157000113
75K33.5Very low37.1Very low200 Ų200135 Ų13587%0.8784%0.835SS**  trans62.698.3136.1-149.981.2165.2-1720119.4
76G34.5Very low37.4Very low72 Ų72138.9 Ų138.974%0.74284%0.835SS**  113.9114.1117.200000117.7
77R37.8Very low37.4Very low246 Ų246144.8 Ų144.893%0.92884%0.839SS**  trans8799.3149.3-151173.2-174.5164.40.6115.5A79R77-A79 PolarHBondContact O-N 3.03Å; R77-A79 VanDerWaalsContact O-N 3.14Å
78D33.1Very low37.6Very low166 Ų166146.1 Ų146.189%0.88883%0.83SS**  trans-57.9107.1175-62.8-73.5000112.7
79A44.5Very low38.1Very low89 Ų89147.2 Ų147.274%0.73682%0.822SS**  trans-113.2141.8132.600000105.8R77R77-A79 PolarHBondContact O-N 3.03Å; R77-A79 VanDerWaalsContact O-N 3.14Å
80P39.3Very low38.4Very low121 Ų121149.7 Ų149.779%0.78682%0.821SS**  -146138.2112.830.9-13.2000114.3
81A34.6Very low39.1Very low93 Ų93150.4 Ų150.477%0.76981%0.814SS**  trans-74.3151.1147.200000109.7
82A38.4Very low39.6Very low98 Ų98154.6 Ų154.681%0.8182%0.819SS**  trans73.6112.2156.500000118.2
83E29.8Very low39.4Very low190 Ų190151 Ų15189%0.88882%0.818SS**  -151.6126.2114.1-130.9172.5176.300113.4
84A46.5Very low39.9Very low90 Ų90149.8 Ų149.874%0.74482%0.819SS**  trans-1.3118.5153.200000117.4
85R34.8Very low40.5Very low245 Ų245153 Ų15393%0.92582%0.82SS**  trans-130.3123.2137.2-67.8-165.8175.6-124.3-3.1109.5R87R85-R87 PolarHBondContact O-N 3.49Å
86H43.1Very low41.2Very low180 Ų180148.8 Ų148.883%0.83381%0.813SS**  trans-27.8111170.8-86.9-16.1000113.6V88H86-V88 HydrophobicContact CB-CG2 4.35Å; H86-V88 PolarHBondContact O-N 3.1Å
87R37.5Very low42.3Very low244 Ų244151.4 Ų151.492%0.92182%0.817SS**  trans-79.5100.7146.8-91.8-176.5172.7174.4-1.8106.8R85 P89R85-R87 PolarHBondContact O-N 3.49Å; R87-P89 WeakPolarHBondContact O-CD 3.48Å
88V39.2Very low43Very low113 Ų113142.7 Ų142.769%0.68580%0.804SS**  trans-81.7114.7156-174.40000105.8H86 T90H86-V88 HydrophobicContact CB-CG2 4.35Å; H86-V88 PolarHBondContact O-N 3.1Å; V88-T90 PolarHBondContact O-N 3.26Å
89P41.9Very low43.9Very low108 Ų108141.5 Ų141.570%0.70181%0.805SS**  trans-73.9110.1178.628.8-30.8000108.8R87 T91R87-P89 WeakPolarHBondContact O-CD 3.48Å; P89-T91 PolarHBondContact O-N 3.31Å
90T38.6Very low44.4Very low133 Ų133141.6 Ų141.682%0.81681%0.806SS**  trans-76.9112.3165.552.30000107.8V88 E92V88-T90 PolarHBondContact O-N 3.26Å; T90-E92 PolarHBondContact O-N 3.18Å
91T49.5Very low45Very low124 Ų124141.9 Ų141.976%0.76181%0.808SS**  trans-58.3113.8-175.152.60000112P89 L93P89-T91 PolarHBondContact O-N 3.31Å; T91-L93 PolarHBondContact O-N 3.39Å
92E50.2Low45.7Very low176 Ų176141.9 Ų141.982%0.82281%0.808SS**  trans-59.8123.5156.1-73.2-87103.900107.9T90 C94T90-E92 PolarHBondContact O-N 3.18Å; E92-C94 PolarHBondContact O-N 3.27Å
93L38.3Very low46.3Very low175 Ų175143.3 Ų143.392%0.91681%0.808SS**  trans-70.597.5179.5-155.977.4000108.6T91 R95T91-L93 PolarHBondContact O-N 3.39Å; L93-R95 PolarHBondContact O-N 3.46Å
94C48.3Very low47.2Very low120 Ų120138.6 Ų138.681%0.81180%0.802SS**PPolyproline II helixtrans-56.9129.1178.8-73.20000112.1E92E92-C94 PolarHBondContact O-N 3.27Å
95R57.7Low47.2Very low230 Ų230140.4 Ų140.487%0.86881%0.806SS**PPolyproline II helixtrans-61134.8161.7-170.6-175.4-131.7122.5-0.7108.9L93L93-R95 PolarHBondContact O-N 3.46Å
96P47Very low47.5Very low111 Ų111133.4 Ų133.472%0.72180%0.801SS**PPolyproline II helixtrans-65.1135.4176.425.8-32.1000110.2
97P57.3Low47.3Very low128 Ų128130.3 Ų130.383%0.83180%0.799SS**PPolyproline II helixtrans-66.9135.517327-31.7000109.9
98G54.3Low47.5Very low63 Ų63123 Ų12365%0.64979%0.792SS**PPolyproline II helixtrans-66.4156.3171.800000111.6A100G98-A100 PolarHBondContact O-N 3.26Å
99P51.8Low47.9Very low141 Ų141123.5 Ų123.592%0.91680%0.797SS**PPolyproline II helixtrans-69.2124.5179.327.5-31.6000110.7
100A55.3Low47.7Very low90 Ų90122.6 Ų122.674%0.74480%0.798SS**PPolyproline II helixtrans-83156.5171.600000111G98G98-A100 PolarHBondContact O-N 3.26Å
101P50Low47.3Very low128 Ų128125.2 Ų125.283%0.83180%0.802SS**PPolyproline II helixtrans-73.2148.6-167.329.5-34.7000113.6
102A51.1Low46.9Very low93 Ų93126.9 Ų126.977%0.76981%0.805SS**PPolyproline II helixtrans-64.4147.1177.300000112.6
103P49Very low47Very low127 Ų127124.3 Ų124.383%0.82580%0.804SS**PPolyproline II helixtrans-72.2142.8171.929.5-32.6000111.7
104A49Very low46.9Very low92 Ų92119.5 Ų119.576%0.7680%0.796SS**PPolyproline II helixtrans-61.2154.1175.900000112.7
105P47.8Very low46.3Very low128 Ų128121.6 Ų121.683%0.83180%0.799SS**PPolyproline II helixtrans-76.4135.6-171.230.3-33.7000112.5
106A40.3Very low45.8Very low97 Ų97113.8 Ų113.880%0.80279%0.791SS**PPolyproline II helixtrans-72.5144165.900000110.6
107S38.5Very low45.7Very low115 Ų115119.7 Ų119.780%0.80480%0.799SS**  trans-45.1142.1178.244.70000116.1
108A42.7Very low45Very low92 Ų92122.3 Ų122.376%0.7680%0.802SS**  trans-57.3166.7168.200000113.1
109P46.7Very low44.7Very low122 Ų122125.3 Ų125.379%0.79281%0.807SS**  -146.5163.982.137.5-19.3000116.9
110A38Very low44.4Very low89 Ų89126 Ų12674%0.73680%0.798SS**  trans91.8120.714100000121.7
111E31.4Very low43.7Very low189 Ų189130.1 Ų130.188%0.88381%0.807SS**  trans92.4113.2140.8-60.5-85.3115.400120.9
112L41.2Very low43.5Very low159 Ų159128.1 Ų128.183%0.83280%0.796SS**  trans-82.7-177157.3-86.5166.1000109.8
113P52.2Low43.6Very low122 Ų122129.5 Ų129.579%0.79280%0.797SS**  cis-131.3174.9-15.423.5-0.1000112.8
114G35Very low43.4Very low74 Ų74129.9 Ų129.976%0.76380%0.8SS**  trans168.1101.8161.800000117.5
115D36.6Very low42.9Very low163 Ų163129.6 Ų129.687%0.87280%0.797SS**  trans48.1115.8146.5-86.4-43.2000123.2
116G46.1Very low42.5Very low67 Ų67131.1 Ų131.169%0.69180%0.797SS**  61.291.810700000118.5
117R46.2Very low42.2Very low235 Ų235131.8 Ų131.889%0.88780%0.803SS**  trans-175.4114.814142-161.3161.1-141.2-6.6112.3
118M42.6Very low42.5Very low182 Ų182130 Ų13090%0.89780%0.795SS**  trans-59.7149.3153.2-66.1-111.9-14700109.3
119V47Very low42.6Very low126 Ų126132 Ų13276%0.76480%0.8SS**  trans148.5134.5137.31660000113.3
120Q45.2Very low42.2Very low155 Ų155131 Ų13172%0.72480%0.802SS**  trans83.890.6159.4-128.778.556.800119.9
121L40.8Very low42.5Very low178 Ų178131.1 Ų131.193%0.93280%0.803SS**  trans-77.8112.7146.7-67.9171000108.5
122S47.1Very low43.3Very low86 Ų86128.5 Ų128.560%0.60180%0.803SS**  trans-151.1127.8163.4-67.10000109.4
123P52.1Low43.3Very low122 Ų122124.2 Ų124.279%0.79280%0.797SS**  trans-72.5142.2178.2-11.426.3000111.3A125P123-A125 PolarHBondContact O-N 3.22Å
124P45.8Very low43.4Very low135 Ų135130.5 Ų130.588%0.87781%0.805SS**  trans-74.8115.2172.629.8-30.8000109.7
125A36.8Very low43.8Very low85 Ų85131 Ų13170%0.70280%0.802SS**  trans-93.4141.1167.900000110.6P123P123-A125 PolarHBondContact O-N 3.22Å
126L40Very low45.1Very low161 Ų161131.8 Ų131.884%0.84381%0.805SS**  trans78.7118.3154-74.8146.4000120.4
127A34.5Very low45.2Very low110 Ų110136.5 Ų136.591%0.90981%0.814SS**  trans-135.4103134.300000109
128A43.8Very low45.1Very low78 Ų78136.3 Ų136.365%0.64581%0.814SS**  trans-136.1136.1159.800000107.7
129P44.8Very low45.1Very low133 Ų133132.1 Ų132.186%0.86480%0.803SS**  trans-84164.8-164.733.5-34.6000114.1
130A38.8Very low45Very low102 Ų102133.7 Ų133.784%0.84381%0.806SS**  trans-50.1154.3-170.700000118.1
131A44.2Very low44.8Very low92 Ų92131.6 Ų131.676%0.7681%0.809SS**  trans-67-177.1174.100000112.8
132P49.1Very low45.3Very low133 Ų133132.3 Ų132.386%0.86481%0.807SS**  -147.5155.352.837-15.2000116.8
133G41.6Very low45.5Very low69 Ų69133.9 Ų133.971%0.71182%0.816SS**  trans173.677166.400000117.8
134R52.6Low45Very low254 Ų254135.6 Ų135.696%0.95882%0.817SS**  trans84.2105.2152.9-47.6-175.598138.83.1117.5
135A44.7Very low44.9Very low86 Ų86134.1 Ų134.171%0.71182%0.816SS**  trans-58.7144.1157.100000111.8
136L62.7Low45.1Very low179 Ų179135.2 Ų135.294%0.93782%0.819SS**  -145.5128127.2-78-173.1000109.3
137L49.3Very low45.5Very low165 Ų165136 Ų13686%0.86482%0.823SS**  trans-75.2130.8177.9-64.6159.7000109.5
138Y43Very low45.6Very low231 Ų231134.7 Ų134.791%0.90682%0.821SS**  trans-147.5121.3140.5-142.5-100.4000109.8
139S42.6Very low45.1Very low94 Ų94137.3 Ų137.366%0.65784%0.835SS**  trans-83.4155.5177.9-172.60000110
140L45Very low44.7Very low159 Ų159134.4 Ų134.483%0.83283%0.828SS**  trans78.198.4147.5-144.871.4000118.3
141S42Very low44.6Very low111 Ų111138.4 Ų138.478%0.77683%0.827SS**  164.6108.1121.5600000111.6
142Q51.8Low44.2Very low193 Ų193143 Ų14390%0.90283%0.83SS**  trans-77.6150146.7-74.2179.6-15.100107.9
143P51Low43.5Very low120 Ų120140.2 Ų140.278%0.77983%0.826SS**  -135.4128.1128.429.6-13.8000113.2
144L41.1Very low43.3Very low157 Ų157144.8 Ų144.882%0.82283%0.829SS**  trans3.8117.7143-16865.4000117S146L144-S146 PolarHBondContact O-N 3.21Å
145A43.6Very low43.3Very low104 Ų104137.5 Ų137.586%0.8681%0.814SS**  trans-74.4109.6163.500000109.3
146S40.4Very low42.9Very low109 Ų109140.5 Ų140.576%0.76282%0.819SS**  trans-94.1141.4172.4-170.90000110.8L144L144-S146 PolarHBondContact O-N 3.21Å
147L49.3Very low42.5Very low176 Ų176135.6 Ų135.692%0.92180%0.803SS**  trans-58.6149.4172.9-72.6146.1000112.5
148G36.5Very low42.1Very low84 Ų84136.2 Ų136.287%0.86680%0.799SS**  trans-176.1106.4167.400000111.7
149S33Very low42.6Very low133 Ų133130 Ų13093%0.9379%0.788SS**  trans-103.5139.8173163.20000109.2
150G36.9Very low43.3Very low71 Ų71132.9 Ų132.973%0.73279%0.793SS**  trans126.5111.7149.300000118
151F37.2Very low44Very low187 Ų187134.8 Ų134.882%0.8280%0.795SS**  trans95103.2131.5-153.8-106.5000121.2
152F35.4Very low44.7Very low188 Ų188135.4 Ų135.483%0.82579%0.794SS**  trans75.1120.8135.7-119.3-98000122.2
153G33.3Very low44.8Very low75 Ų75131.7 Ų131.777%0.77379%0.785SS**  trans139.691.9159.900000114.8
154E38.2Very low45.1Very low164 Ų164134 Ų13477%0.76679%0.79SS**  trans-101.4153.5160.5-148.7-88.5149.800106.5
155P52.2Low45.9Very low101 Ų101134.3 Ų134.366%0.65679%0.793SS**  cis-124.2145.116.86.919.1000115.2
156D36.9Very low46.5Very low150 Ų150140 Ų14080%0.80279%0.792SS**  -157.7132.3125.2-126.7-22.9000110.7F158D156-F158 PolarHBondContact O-N 3.14Å
157A54.1Low47.1Very low75 Ų75140.6 Ų140.662%0.6279%0.79SS**  trans-73.8111.2-162.600000113.2
158F39.7Very low47.4Very low178 Ų178141.6 Ų141.678%0.78179%0.787SS**  trans-139.787.4161.7-74.7-79.5000112.5D156 M160D156-F158 PolarHBondContact O-N 3.14Å; F158-M160 PolarHBondContact O-N 3.26Å
159P54.7Low48.4Very low102 Ų102147.7 Ų147.766%0.66278%0.784SS**  trans-8487.1170.333.2-30.2000109.8
160M56.4Low49.6Very low154 Ų154152.7 Ų152.776%0.75978%0.783SS**  trans-102.92.3175.9-87.3-82.8-18000114.8F158F158-M160 PolarHBondContact O-N 3.26Å
161F59.7Low50.4Low199 Ų199154.9 Ų154.987%0.87378%0.784SS**SBendtrans-14342179.2-68.3-73.5000115.7
162T57.2Low51.2Low123 Ų123148.9 Ų148.976%0.75577%0.766SS**SBendtrans-149.550.8169.213.30000111.9
163T54.9Low52.3Low116 Ų116146.7 Ų146.771%0.71277%0.77SS**  trans-16248.2171.2-2.70000114.9N165T163-N165 PolarHBondContact O-N 3.42Å
164N56.8Low53.3Low167 Ų167152.3 Ų152.389%0.89377%0.769SS**THydrogen-bonded Turntrans-78.867.5168.2-91.6-23.3000112.1
165N57Low53.9Low165 Ų165151.5 Ų151.588%0.88277%0.766SS**THydrogen-bonded Turntrans-146.120.3164.3-109.310.8000114.3T163T163-N165 PolarHBondContact O-N 3.42Å
166R56.9Low54.2Low224 Ų224153.6 Ų153.685%0.84577%0.768SS**  trans-124.846.4177.3-157.1-175.6-95.2-139.9-0.8113.1
167V52.3Low55Low120 Ų120153.9 Ų153.973%0.72777%0.765SS**  trans-85.4109.6148.4-175.90000105.3R169V167-R169 HydrophobicContact CB-CG 4.31Å; V167-R169 HydrophobicContact CG1-CG 3.86Å; V167-R169 PolarHBondContact O-N 3.15Å
168K57Low55.3Low197 Ų197156.9 Ų156.986%0.85777%0.769SS**  trans-64.278.5165.5-76-151.5175.7-171.60108.4
169R56.8Low56.2Low213 Ų213152.9 Ų152.980%0.80476%0.759SS**PPolyproline II helixtrans-67.9128.4162.1-58.6-165.375.7-178.71.4105.6V167V167-R169 HydrophobicContact CB-CG 4.31Å; V167-R169 HydrophobicContact CG1-CG 3.86Å; V167-R169 PolarHBondContact O-N 3.15Å
170R57.5Low56.5Low237 Ų237151 Ų15189%0.89474%0.744SS**PPolyproline II helixtrans-51.9131164.1-83.7-161.9172.9-173.1-0.4107.2S172R170-S172 PolarHBondContact O-N 3.49Å; R170-S172 VanDerWaalsContact O-N 3.08Å
171P54Low57.1Low117 Ų117144.4 Ų144.476%0.7672%0.715SS**PPolyproline II helixtrans-52.8121165.4-21.232000107
172S54Low57.8Low62 Ų62139.8 Ų139.843%0.43471%0.705SS.*PPolyproline II helixtrans-57.7134.7171.2171.80000107.2R170 Y174 E175R170-S172 PolarHBondContact O-N 3.49Å; R170-S172 VanDerWaalsContact O-N 3.08Å; S172-Y174 PolarHBondContact O-N 3.36Å; S172-Y174 PolarHBondContact OG-N 3.1Å; S172-E175 PolarHBondContact O-N 3.17Å
173P59.3Low58.8Low141 Ų141141.4 Ų141.492%0.91670%0.704SS**THydrogen-bonded Turntrans-61.4-5.2176.4-2132.5000114
174Y53.7Low60.2Low194 Ų194138.2 Ų138.276%0.76168%0.684SS**THydrogen-bonded Turntrans-125.126.9172.7-157.8-97.8000112.3S172 M176S172-Y174 PolarHBondContact O-N 3.36Å; S172-Y174 PolarHBondContact OG-N 3.1Å; Y174-M176 PolarHBondContact O-N 3.06Å; Y174-M176 VanDerWaalsContact O-N 3.08Å
175E50.3Low61.8Low147 Ų147136.4 Ų136.469%0.68767%0.668SS**  trans-77.676.2147.5-73.9-83.9157.500104.2S172 E177S172-E175 PolarHBondContact O-N 3.17Å; E175-E177 PolarHBondContact O-N 3.23Å
176M58.1Low63.6Low144 Ų144131.5 Ų131.571%0.70964%0.644SS**  trans-54.9109.9157.8-170148.7-166.300102.6Y174 I178Y174-M176 PolarHBondContact O-N 3.06Å; Y174-M176 VanDerWaalsContact O-N 3.08Å; M176-I178 PolarHBondContact O-N 3.35Å
177E55.2Low65.4Low156 Ų156125.4 Ų125.473%0.72963%0.631SS**  trans-50.7102164.3-79.1-146.7167.400103.8E175 T179E175-E177 PolarHBondContact O-N 3.23Å; E177-T179 PolarHBondContact O-N 3.35Å; E177-T179 PolarHBondContact OE2-OG1 2.95Å
178I59.6Low67.5Low138 Ų138126 Ų12671%0.70862%0.62SS**  trans-6776.3149.7-54.8174.8000100.3M176 D180M176-I178 PolarHBondContact O-N 3.35Å; I178-D180 PolarHBondContact O-N 3.14Å
179T58.9Low69.4Low94 Ų94125 Ų12558%0.57761%0.611SS**  trans-49.9103.7169.3-60.60000100.8E177 G181E177-T179 PolarHBondContact O-N 3.35Å; E177-T179 PolarHBondContact OE2-OG1 2.95Å; T179-G181 PolarHBondContact O-N 2.92Å
180D61.1Low71.3Confident64 Ų64119.4 Ų119.434%0.34260%0.596SS.*  trans-71.772.3-177.3-128.9-3.8000103.4I178 T184 K185 R188I178-D180 PolarHBondContact O-N 3.14Å; D180-T184 WeakPolarHBondContact CA-OG1 3.41Å; D180-T184 WeakPolarHBondContact OD1-CB 3.26Å; D180-T184 PolarHBondContact OD1-OG1 3.41Å; D180-K185 VanDerWaalsContact O-CE 3.28Å; D180-K185 WeakPolarHBondContact O-CE 3.37Å; D180-R188 IonicContact OD1-CZ 3.87Å; D180-R188 IonicContact OD1-NH1 3.69Å; D180-R188 IonicContact OD1-NH2 3.1Å; D180-R188 PolarHBondContact OD1-NH2 3.46Å; D180-R188 VanDerWaalsContact OD1-NH2 3.1Å; D180-R188 IonicContact OD2-CZ 3.63Å; D180-R188 IonicContact OD2-NH1 3.01Å; D180-R188 PolarHBondContact OD2-NH1 3.4Å; D180-R188 IonicContact OD2-NH2 3.25Å; D180-R188 PolarHBondContact OD2-NH2 3.21Å
181G68.4Low73.2Confident14 Ų14114.6 Ų114.614%0.14458%0.582CS.*  trans-65.1162.5-168.600000107.3T179 H183 T184 K185T179-G181 PolarHBondContact O-N 2.92Å; G181-H183 PolarHBondContact O-N 2.98Å; G181-T184 PolarHBondContact N-OG1 3.27Å; G181-T184 PolarHBondContact O-N 3.03Å; G181-T184 PolarHBondContact O-OG1 3.47Å; G181-T184 VanDerWaalsContact O-OG1 3.11Å; G181-K185 PolarHBondContact O-N 2.96Å
182P74.6Confident75.3Confident102 Ų102111.9 Ų111.966%0.66256%0.564SS**Hα-helixtrans-45.8-34.2175.9-27.934.8000112.6V186P182-V186 VanDerWaalsContact O-CG2 3.22Å; P182-V186 WeakPolarHBondContact O-CG2 3.34Å; P182-V186 PolarHBondContact O-N 3.41Å
183H77.5Confident77.4Confident158 Ų158113.3 Ų113.373%0.73157%0.566SS**Hα-helixtrans-64.1-45.3175.7-59.6-70.8000114.9G181 K185 V186 V187G181-H183 PolarHBondContact O-N 2.98Å; H183-K185 VanDerWaalsContact C-N 3.34Å; H183-K185 PolarHBondContact O-N 3.28Å; H183-V186 PolarHBondContact O-N 3.19Å; H183-V187 VanDerWaalsContact O-CG2 3.31Å; H183-V187 WeakPolarHBondContact O-CG2 3.48Å; H183-V187 PolarHBondContact O-N 3.41Å
184T85.8Confident79.3Confident49 Ų49109.8 Ų109.830%0.30155%0.545SS..Hα-helixtrans-68.3-36.8-179.765.70000111.2D180 G181 V187 R188D180-T184 WeakPolarHBondContact CA-OG1 3.41Å; D180-T184 WeakPolarHBondContact OD1-CB 3.26Å; D180-T184 PolarHBondContact OD1-OG1 3.41Å; G181-T184 PolarHBondContact N-OG1 3.27Å; G181-T184 PolarHBondContact O-N 3.03Å; G181-T184 PolarHBondContact O-OG1 3.47Å; G181-T184 VanDerWaalsContact O-OG1 3.11Å; T184-V187 PolarHBondContact O-N 3.4Å; T184-R188 WeakPolarHBondContact O-CB 3.41Å; T184-R188 PolarHBondContact O-N 3.04Å
185K90.9Very high81.4Confident129 Ų129106.7 Ų106.756%0.56153%0.532SS*.Hα-helixtrans-63.1-43173.9-67.6176.4-179.1167.70111.7D180 G181 H183 R188 R189D180-K185 VanDerWaalsContact O-CE 3.28Å; D180-K185 WeakPolarHBondContact O-CE 3.37Å; G181-K185 PolarHBondContact O-N 2.96Å; H183-K185 VanDerWaalsContact C-N 3.34Å; H183-K185 PolarHBondContact O-N 3.28Å; K185-R188 PolarHBondContact O-N 3.46Å; K185-R189 WeakPolarHBondContact O-CB 3.48Å; K185-R189 PolarHBondContact O-N 2.88Å
186V94.1Very high83.7Confident61 Ų61103.5 Ų103.537%0.3752%0.517SS..Hα-helixtrans-64.8-44.9176170.20000111.2P182 H183 R188 R189 I190P182-V186 VanDerWaalsContact O-CG2 3.22Å; P182-V186 WeakPolarHBondContact O-CG2 3.34Å; P182-V186 PolarHBondContact O-N 3.41Å; H183-V186 PolarHBondContact O-N 3.19Å; V186-R188 PolarHBondContact O-N 3.46Å; V186-R189 WeakPolarHBondContact O-CB 3.48Å; V186-R189 PolarHBondContact O-N 3.26Å; V186-I190 HydrophobicContact CG1-CD1 3.75Å; V186-I190 HydrophobicContact CG1-CG1 4.34Å; V186-I190 VanDerWaalsContact O-CG1 3.3Å; V186-I190 WeakPolarHBondContact O-CG1 3.4Å; V186-I190 PolarHBondContact O-N 3.32Å
187V94.8Very high85.7Confident96 Ų96104.1 Ų104.158%0.58251%0.512SS*.Hα-helixtrans-60.6-45.7177.1172.20000111.2H183 T184 R189 I190 F191H183-V187 VanDerWaalsContact O-CG2 3.31Å; H183-V187 WeakPolarHBondContact O-CG2 3.48Å; H183-V187 PolarHBondContact O-N 3.41Å; T184-V187 PolarHBondContact O-N 3.4Å; V187-R189 VanDerWaalsContact C-N 3.3Å; V187-R189 PolarHBondContact O-N 3.17Å; V187-I190 PolarHBondContact O-N 2.94Å; V187-F191 PolarHBondContact O-N 3.25Å
188R95.5Very high87.7Confident132 Ų132104.3 Ų104.350%0.49851%0.506SS..Hα-helixtrans-61-39.6176.8-167179.3-65.9129.12.2111.8D180 T184 K185 V186 T192D180-R188 IonicContact OD1-CZ 3.87Å; D180-R188 IonicContact OD1-NH1 3.69Å; D180-R188 IonicContact OD1-NH2 3.1Å; D180-R188 PolarHBondContact OD1-NH2 3.46Å; D180-R188 VanDerWaalsContact OD1-NH2 3.1Å; D180-R188 IonicContact OD2-CZ 3.63Å; D180-R188 IonicContact OD2-NH1 3.01Å; D180-R188 PolarHBondContact OD2-NH1 3.4Å; D180-R188 IonicContact OD2-NH2 3.25Å; D180-R188 PolarHBondContact OD2-NH2 3.21Å; T184-R188 WeakPolarHBondContact O-CB 3.41Å; T184-R188 PolarHBondContact O-N 3.04Å; K185-R188 PolarHBondContact O-N 3.46Å; V186-R188 PolarHBondContact O-N 3.46Å; R188-T192 WeakPolarHBondContact O-CB 3.34Å; R188-T192 PolarHBondContact O-N 3.44Å; R188-T192 PolarHBondContact O-OG1 2.94Å
189R96.8Very high89.6Confident177 Ų177103.2 Ų103.267%0.66849%0.493SS*.Hα-helixtrans-65.3-44.9175.2-172.5176.968.2168.70.7111.7K185 V186 V187 T192 N193K185-R189 WeakPolarHBondContact O-CB 3.48Å; K185-R189 PolarHBondContact O-N 2.88Å; V186-R189 WeakPolarHBondContact O-CB 3.48Å; V186-R189 PolarHBondContact O-N 3.26Å; V187-R189 VanDerWaalsContact C-N 3.3Å; V187-R189 PolarHBondContact O-N 3.17Å; R189-T192 PolarHBondContact O-N 2.97Å; R189-N193 WeakPolarHBondContact O-CB 3.33Å; R189-N193 PolarHBondContact O-N 2.86Å
190I97.6Very high91.5Very high96 Ų96102.5 Ų102.549%0.49248%0.483SS..Hα-helixtrans-60.5-50.6177.3-68.5165.7000110.1V186 V187 T192 N193 S194V186-I190 HydrophobicContact CG1-CD1 3.75Å; V186-I190 HydrophobicContact CG1-CG1 4.34Å; V186-I190 VanDerWaalsContact O-CG1 3.3Å; V186-I190 WeakPolarHBondContact O-CG1 3.4Å; V186-I190 PolarHBondContact O-N 3.32Å; V187-I190 PolarHBondContact O-N 2.94Å; I190-T192 VanDerWaalsContact C-N 3.29Å; I190-T192 PolarHBondContact O-N 3.39Å; I190-N193 PolarHBondContact O-N 3.31Å; I190-N193 VanDerWaalsContact O-N 3.17Å; I190-S194 PolarHBondContact O-N 3.13Å; I190-S194 PolarHBondContact O-OG 2.82Å
191F97.5Very high93.3Very high136 Ų136104.8 Ų104.860%0.59649%0.491SS*.Hα-helixtrans-57.9-43178.2179-101.3000112.1V187 S194 R195V187-F191 PolarHBondContact O-N 3.25Å; F191-S194 PolarHBondContact O-N 3.33Å; F191-R195 VanDerWaalsContact CE1-NH1 3.31Å; F191-R195 WeakPolarHBondContact O-CB 3.47Å; F191-R195 PolarHBondContact O-N 3.38Å
192T97.8Very high94.7Very high60 Ų60108 Ų10837%0.36851%0.505SS..Hα-helixtrans-65.7-41.3177.7-58.70000112R188 R189 I190 R195 E196R188-T192 WeakPolarHBondContact O-CB 3.34Å; R188-T192 PolarHBondContact O-N 3.44Å; R188-T192 PolarHBondContact O-OG1 2.94Å; R189-T192 PolarHBondContact O-N 2.97Å; I190-T192 VanDerWaalsContact C-N 3.29Å; I190-T192 PolarHBondContact O-N 3.39Å; T192-R195 PolarHBondContact O-N 3.19Å; T192-E196 PolarHBondContact O-N 3.41Å
193N98.5Very high95.9Very high91 Ų91105.5 Ų105.549%0.48749%0.488SS..Hα-helixtrans-63.5-44.7175.7-171.4-84.2000111.8R189 I190 R195 E196 R197R189-N193 WeakPolarHBondContact O-CB 3.33Å; R189-N193 PolarHBondContact O-N 2.86Å; I190-N193 PolarHBondContact O-N 3.31Å; I190-N193 VanDerWaalsContact O-N 3.17Å; N193-R195 VanDerWaalsContact C-N 3.31Å; N193-R195 PolarHBondContact O-N 3.41Å; N193-E196 PolarHBondContact O-N 3.18Å; N193-R197 WeakPolarHBondContact O-CB 3.32Å; N193-R197 PolarHBondContact O-N 2.62Å
194S98.6Very high96.9Very high68 Ų68101.5 Ų101.548%0.47647%0.472SS..Hα-helixtrans-59.2-43.2176.6-64.40000111.6I190 F191 R197 W198I190-S194 PolarHBondContact O-N 3.13Å; I190-S194 PolarHBondContact O-OG 2.82Å; F191-S194 PolarHBondContact O-N 3.33Å; S194-R197 PolarHBondContact O-N 3.36Å; S194-W198 PolarHBondContact O-N 3.3Å
195R98.6Very high97.5Very high129 Ų129101 Ų10149%0.48748%0.476SS..Hα-helixtrans-64.5-44.7176.6-171175.370.3-104.33.1112.4F191 T192 N193 R197 W198 R199F191-R195 VanDerWaalsContact CE1-NH1 3.31Å; F191-R195 WeakPolarHBondContact O-CB 3.47Å; F191-R195 PolarHBondContact O-N 3.38Å; T192-R195 PolarHBondContact O-N 3.19Å; N193-R195 VanDerWaalsContact C-N 3.31Å; N193-R195 PolarHBondContact O-N 3.41Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-W198 WeakPolarHBondContact O-CB 3.32Å; R195-W198 PolarHBondContact O-N 3.28Å; R195-R199 PolarHBondContact O-N 3.31Å
196E98.6Very high97.9Very high80 Ų8097.8 Ų97.837%0.37447%0.474SS..Hα-helixtrans-66-38.6178.1178.953.6-156.300111.7T192 N193 W198 R199 Q200T192-E196 PolarHBondContact O-N 3.41Å; N193-E196 PolarHBondContact O-N 3.18Å; E196-W198 VanDerWaalsContact C-N 3.3Å; E196-W198 PolarHBondContact O-N 3.49Å; E196-R199 WeakPolarHBondContact O-CB 3.27Å; E196-R199 PolarHBondContact O-N 3.48Å; E196-R199 IonicContact OE1-CZ 3.4Å; E196-R199 IonicContact OE1-NE 3.2Å; E196-R199 PolarHBondContact OE1-NE 2.99Å; E196-R199 IonicContact OE1-NH2 2.76Å; E196-R199 PolarHBondContact OE1-NH2 3.07Å; E196-R199 IonicContact OE2-CZ 3.82Å; E196-R199 IonicContact OE2-NE 2.87Å; E196-R199 PolarHBondContact OE2-NE 3.32Å; E196-R199 IonicContact OE2-NH2 3.88Å; E196-Q200 HydrophobicContact CG-CG 4.49Å; E196-Q200 VanDerWaalsContact O-CG 3.31Å; E196-Q200 WeakPolarHBondContact O-CG 3.48Å; E196-Q200 PolarHBondContact O-N 3.21Å; E196-Q200 WeakPolarHBondContact OE1-CG 3.31Å
197R98.8Very high98.1Very high157 Ų15797 Ų9759%0.59247%0.465SS*.Hα-helixtrans-58.7-44.2172.6-177-175.5-64.5-98.60.1111.2N193 S194 R195 Q200 Q201N193-R197 WeakPolarHBondContact O-CB 3.32Å; N193-R197 PolarHBondContact O-N 2.62Å; S194-R197 PolarHBondContact O-N 3.36Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R197-Q200 PolarHBondContact O-N 3Å; R197-Q201 WeakPolarHBondContact O-CG 3.29Å; R197-Q201 PolarHBondContact O-N 3.45Å
198W98.7Very high98.3Very high159 Ų15994.8 Ų94.860%0.60246%0.457SS*.Hα-helixtrans-62.5-43176.3-176.278.5000111.9S194 R195 E196 Q200 Q201 N202S194-W198 PolarHBondContact O-N 3.3Å; R195-W198 WeakPolarHBondContact O-CB 3.32Å; R195-W198 PolarHBondContact O-N 3.28Å; E196-W198 VanDerWaalsContact C-N 3.3Å; E196-W198 PolarHBondContact O-N 3.49Å; W198-Q200 VanDerWaalsContact C-N 3.3Å; W198-Q200 PolarHBondContact O-N 3.24Å; W198-Q201 WeakPolarHBondContact O-CB 3.22Å; W198-Q201 PolarHBondContact O-N 3.19Å; W198-Q201 VanDerWaalsContact O-N 3.17Å; W198-N202 WeakPolarHBondContact CH2-ND2 3.32Å; W198-N202 VanDerWaalsContact CZ2-ND2 3.32Å; W198-N202 WeakPolarHBondContact CZ2-ND2 3.49Å; W198-N202 VanDerWaalsContact CZ3-ND2 3.29Å; W198-N202 WeakPolarHBondContact CZ3-ND2 3.46Å; W198-N202 PolarHBondContact O-N 3.12Å
199R98.8Very high98.4Very high115 Ų11593.6 Ų93.643%0.43446%0.457SS..Hα-helixtrans-57.2-44.4173.9-162.6-167.970.373.38.2111.6R195 E196 N202 V203R195-R199 PolarHBondContact O-N 3.31Å; E196-R199 WeakPolarHBondContact O-CB 3.27Å; E196-R199 PolarHBondContact O-N 3.48Å; E196-R199 IonicContact OE1-CZ 3.4Å; E196-R199 IonicContact OE1-NE 3.2Å; E196-R199 PolarHBondContact OE1-NE 2.99Å; E196-R199 IonicContact OE1-NH2 2.76Å; E196-R199 PolarHBondContact OE1-NH2 3.07Å; E196-R199 IonicContact OE2-CZ 3.82Å; E196-R199 IonicContact OE2-NE 2.87Å; E196-R199 PolarHBondContact OE2-NE 3.32Å; E196-R199 IonicContact OE2-NH2 3.88Å; R199-N202 WeakPolarHBondContact O-CB 3.42Å; R199-N202 PolarHBondContact O-N 3.31Å; R199-V203 PolarHBondContact O-N 3.44Å
200Q98.9Very high98.5Very high80 Ų8087.9 Ų87.937%0.37444%0.44SS..Hα-helixtrans-70.7-31.3178.6-65.3-72.464.500112.8E196 R197 W198 V203 N204E196-Q200 HydrophobicContact CG-CG 4.49Å; E196-Q200 VanDerWaalsContact O-CG 3.31Å; E196-Q200 WeakPolarHBondContact O-CG 3.48Å; E196-Q200 PolarHBondContact O-N 3.21Å; E196-Q200 WeakPolarHBondContact OE1-CG 3.31Å; R197-Q200 PolarHBondContact O-N 3Å; W198-Q200 VanDerWaalsContact C-N 3.3Å; W198-Q200 PolarHBondContact O-N 3.24Å; Q200-V203 PolarHBondContact O-N 3.05Å; Q200-N204 WeakPolarHBondContact O-CB 3.37Å; Q200-N204 PolarHBondContact O-N 3.32Å; Q200-N204 PolarHBondContact O-ND2 3.41Å
201Q98.7Very high98.6Very high111 Ų11185.1 Ų85.152%0.51942%0.423SS..Hα-helixtrans-62.2-42.8171-76.8176.6-8.600111.4R197 W198 V203 N204 G205R197-Q201 WeakPolarHBondContact O-CG 3.29Å; R197-Q201 PolarHBondContact O-N 3.45Å; W198-Q201 WeakPolarHBondContact O-CB 3.22Å; W198-Q201 PolarHBondContact O-N 3.19Å; W198-Q201 VanDerWaalsContact O-N 3.17Å; Q201-V203 PolarHBondContact O-N 3.04Å; Q201-N204 PolarHBondContact O-N 2.91Å; Q201-G205 PolarHBondContact O-N 2.83Å
202N98.8Very high98.6Very high82 Ų8285.2 Ų85.244%0.43942%0.423SS..Hα-helixtrans-60.9-44.8175.3-71.3-32.3000111.9W198 R199 N204 G205 A206W198-N202 WeakPolarHBondContact CH2-ND2 3.32Å; W198-N202 VanDerWaalsContact CZ2-ND2 3.32Å; W198-N202 WeakPolarHBondContact CZ2-ND2 3.49Å; W198-N202 VanDerWaalsContact CZ3-ND2 3.29Å; W198-N202 WeakPolarHBondContact CZ3-ND2 3.46Å; W198-N202 PolarHBondContact O-N 3.12Å; R199-N202 WeakPolarHBondContact O-CB 3.42Å; R199-N202 PolarHBondContact O-N 3.31Å; N202-N204 PolarHBondContact O-N 2.83Å; N202-G205 PolarHBondContact O-N 3.39Å; N202-A206 PolarHBondContact O-N 3.01Å
203V98.8Very high98.7Very high50 Ų5088.2 Ų88.230%0.30344%0.437SS..Hα-helixtrans-61.1-45175.4174.70000111R199 Q200 Q201 G205 A206 F207R199-V203 PolarHBondContact O-N 3.44Å; Q200-V203 PolarHBondContact O-N 3.05Å; Q201-V203 PolarHBondContact O-N 3.04Å; V203-G205 VanDerWaalsContact C-N 3.28Å; V203-G205 PolarHBondContact O-N 3.38Å; V203-A206 PolarHBondContact O-N 3.37Å; V203-F207 HydrophobicContact CG1-CD2 4.01Å; V203-F207 HydrophobicContact CG1-CE2 4.13Å; V203-F207 WeakPolarHBondContact O-CD2 3.41Å; V203-F207 PolarHBondContact O-N 2.98Å
204N98.5Very high98.7Very high74 Ų7484.2 Ų84.240%0.39642%0.415SS..Hα-helixtrans-63.9-34.8177.5-69.3-16.9000112.1Q200 Q201 N202 F207 A208 K225Q200-N204 WeakPolarHBondContact O-CB 3.37Å; Q200-N204 PolarHBondContact O-N 3.32Å; Q200-N204 PolarHBondContact O-ND2 3.41Å; Q201-N204 PolarHBondContact O-N 2.91Å; N202-N204 PolarHBondContact O-N 2.83Å; N204-F207 PolarHBondContact O-N 3.22Å; N204-A208 PolarHBondContact O-N 3.11Å; N204-K225 WeakPolarHBondContact OD1-CE 3.44Å; N204-K225 PolarHBondContact OD1-NZ 3.49Å
205G98.8Very high98.7Very high37 Ų3784.8 Ų84.838%0.38142%0.417SS..Hα-helixtrans-61.4-47.3172.100000112.1Q201 N202 V203 F207 A208 E209Q201-G205 PolarHBondContact O-N 2.83Å; N202-G205 PolarHBondContact O-N 3.39Å; V203-G205 VanDerWaalsContact C-N 3.28Å; V203-G205 PolarHBondContact O-N 3.38Å; G205-F207 VanDerWaalsContact C-N 3.31Å; G205-F207 PolarHBondContact O-N 2.7Å; G205-A208 WeakPolarHBondContact O-CB 3.39Å; G205-A208 PolarHBondContact O-N 2.85Å; G205-E209 PolarHBondContact O-N 3.44Å
206A98.8Very high98.6Very high62 Ų6280.2 Ų80.251%0.51240%0.404SS..Hα-helixtrans-61.1-38.6175.300000112.5N202 V203 A208 E209 L210N202-A206 PolarHBondContact O-N 3.01Å; V203-A206 PolarHBondContact O-N 3.37Å; A206-A208 VanDerWaalsContact C-N 3.31Å; A206-A208 PolarHBondContact O-N 3.28Å; A206-E209 PolarHBondContact O-N 2.81Å; A206-L210 WeakPolarHBondContact O-CB 3.24Å; A206-L210 PolarHBondContact O-N 2.95Å
207F98.8Very high98.6Very high44 Ų4484.9 Ų84.919%0.19343%0.425CS..Hα-helixtrans-62.2-36.5172.8-97.2-86000112.7V203 N204 G205 R211 K225 I228 L229V203-F207 HydrophobicContact CG1-CD2 4.01Å; V203-F207 HydrophobicContact CG1-CE2 4.13Å; V203-F207 WeakPolarHBondContact O-CD2 3.41Å; V203-F207 PolarHBondContact O-N 2.98Å; N204-F207 PolarHBondContact O-N 3.22Å; G205-F207 VanDerWaalsContact C-N 3.31Å; G205-F207 PolarHBondContact O-N 2.7Å; F207-R211 WeakPolarHBondContact O-CB 3.39Å; F207-R211 PolarHBondContact O-N 3.21Å; F207-K225 HydrophobicContact CD1-CB 4.2Å; F207-K225 HydrophobicContact CD1-CG 4Å; F207-K225 HydrophobicContact CE1-CB 3.67Å; F207-K225 HydrophobicContact CE1-CD 4.49Å; F207-K225 HydrophobicContact CE1-CG 3.92Å; F207-K225 WeakPolarHBondContact CE1-O 3.43Å; F207-K225 HydrophobicContact CE2-CD 4.49Å; F207-K225 HydrophobicContact CG-CG 4.46Å; F207-K225 HydrophobicContact CZ-CB 4.09Å; F207-K225 HydrophobicContact CZ-CD 4.39Å; F207-K225 HydrophobicContact CZ-CG 4.3Å; F207-I228 HydrophobicContact CD1-CB 4.33Å; F207-I228 HydrophobicContact CD1-CD1 4.09Å; F207-I228 HydrophobicContact CD1-CG2 4Å; F207-I228 HydrophobicContact CE1-CB 4.44Å; F207-I228 HydrophobicContact CE1-CG2 4.28Å; F207-L229 HydrophobicContact CE1-CD2 4.1Å; F207-L229 HydrophobicContact CE1-CG 4.06Å; F207-L229 HydrophobicContact CZ-CD1 4.28Å; F207-L229 HydrophobicContact CZ-CD2 4.04Å; F207-L229 HydrophobicContact CZ-CG 4.17Å
208A98.6Very high98.5Very high50 Ų5080.5 Ų80.541%0.41342%0.417SS..Hα-helixtrans-69.5-42177.100000111.8N204 G205 A206 R211 K212N204-A208 PolarHBondContact O-N 3.11Å; G205-A208 WeakPolarHBondContact O-CB 3.39Å; G205-A208 PolarHBondContact O-N 2.85Å; A206-A208 VanDerWaalsContact C-N 3.31Å; A206-A208 PolarHBondContact O-N 3.28Å; A208-R211 WeakPolarHBondContact O-CB 3.32Å; A208-R211 PolarHBondContact O-N 3.41Å; A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 3.02Å
209E98.8Very high98.4Very high107 Ų10777.9 Ų77.950%0.542%0.421SS..Hα-helixtrans-63-45.9173.9-65.7-49.6131.200111.4G205 A206 R211 K212G205-E209 PolarHBondContact O-N 3.44Å; A206-E209 PolarHBondContact O-N 2.81Å; E209-R211 VanDerWaalsContact C-N 3.28Å; E209-R211 PolarHBondContact O-N 3.23Å; E209-K212 WeakPolarHBondContact O-CB 3.48Å; E209-K212 PolarHBondContact O-N 3.23Å; E209-K212 VanDerWaalsContact O-N 3.13Å; E209-K212 IonicContact OE1-NZ 2.62Å; E209-K212 PolarHBondContact OE1-NZ 3.17Å; E209-K212 IonicContact OE2-NZ 2.86Å; E209-K212 PolarHBondContact OE2-NZ 2.88Å
210L98.8Very high98.2Very high57 Ų5778 Ų7830%0.29843%0.429SS..Hα-helixtrans-58.7-40.3175.8-178.158.9000111.7A206 K212 L213 I228 A232A206-L210 WeakPolarHBondContact O-CB 3.24Å; A206-L210 PolarHBondContact O-N 2.95Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.23Å; L210-L213 PolarHBondContact O-N 2.92Å; L210-L213 VanDerWaalsContact O-N 3.17Å; L210-I228 HydrophobicContact CB-CG2 4.36Å; L210-I228 HydrophobicContact CD2-CG2 3.68Å; L210-I228 HydrophobicContact CG-CG2 3.84Å; L210-A232 HydrophobicContact CD1-CB 4.12Å; L210-A232 HydrophobicContact CD2-CB 4.3Å; L210-A232 HydrophobicContact CG-CB 4.47Å
211R98.6Very high98.2Very high38 Ų3878.8 Ų78.814%0.14343%0.432CS..Hα-helixtrans-59.2-36.7177.7172.960.8-170.792.9-5.4112.6F207 A208 E209 L213 I214 T216 P219 K221 I228F207-R211 WeakPolarHBondContact O-CB 3.39Å; F207-R211 PolarHBondContact O-N 3.21Å; A208-R211 WeakPolarHBondContact O-CB 3.32Å; A208-R211 PolarHBondContact O-N 3.41Å; E209-R211 VanDerWaalsContact C-N 3.28Å; E209-R211 PolarHBondContact O-N 3.23Å; R211-L213 PolarHBondContact O-N 3.36Å; R211-I214 PolarHBondContact NH1-O 2.91Å; R211-I214 PolarHBondContact O-N 3.27Å; R211-T216 PolarHBondContact NH2-OG1 3.2Å; R211-P219 PolarHBondContact NH2-O 2.87Å; R211-P219 VanDerWaalsContact NH2-O 3.11Å; R211-K221 PolarHBondContact NE-O 2.76Å; R211-K221 PolarHBondContact NH2-O 3.44Å; R211-I228 HydrophobicContact CB-CD1 4.02Å; R211-I228 HydrophobicContact CB-CG1 4.44Å; R211-I228 HydrophobicContact CG-CD1 4.47Å
212K98.4Very high98.1Very high138 Ų13882.6 Ų82.660%0.645%0.447SS*.Hα-helixtrans-65.3-28.3-179.8-65172.9-166.5168.50112.6A208 E209 L210A208-K212 WeakPolarHBondContact O-CG 3.48Å; A208-K212 PolarHBondContact O-N 3.02Å; E209-K212 WeakPolarHBondContact O-CB 3.48Å; E209-K212 PolarHBondContact O-N 3.23Å; E209-K212 VanDerWaalsContact O-N 3.13Å; E209-K212 IonicContact OE1-NZ 2.62Å; E209-K212 PolarHBondContact OE1-NZ 3.17Å; E209-K212 IonicContact OE2-NZ 2.86Å; E209-K212 PolarHBondContact OE2-NZ 2.88Å; L210-K212 VanDerWaalsContact C-N 3.28Å; L210-K212 PolarHBondContact O-N 3.23Å
213L98.6Very high98.1Very high123 Ų12379.8 Ų79.864%0.64443%0.432SS*.Hα-helixtrans-83.2-13.9-179.3-57177.7000113.1L210 R211 P215 Y235L210-L213 PolarHBondContact O-N 2.92Å; L210-L213 VanDerWaalsContact O-N 3.17Å; R211-L213 PolarHBondContact O-N 3.36Å; L213-P215 VanDerWaalsContact O-CD 3.31Å; L213-P215 WeakPolarHBondContact O-CD 3.34Å; L213-Y235 WeakPolarHBondContact O-CE1 3.23Å
214I98.6Very high98.1Very high8 Ų880.1 Ų80.14%0.04144%0.436CS..SBendtrans-85.9117.1-178.6-64.5172.1000109.6R211 T216 L223 I228 L231 A232R211-I214 PolarHBondContact NH1-O 2.91Å; R211-I214 PolarHBondContact O-N 3.27Å; I214-T216 HydrophobicContact CG2-CG2 4.1Å; I214-T216 PolarHBondContact O-N 3.26Å; I214-L223 HydrophobicContact CG2-CD1 4.29Å; I214-I228 HydrophobicContact CD1-CB 4.16Å; I214-I228 HydrophobicContact CD1-CG1 4.46Å; I214-I228 HydrophobicContact CD1-CG2 3.72Å; I214-I228 VanDerWaalsContact CD1-O 3.24Å; I214-I228 WeakPolarHBondContact CD1-O 3.47Å; I214-L231 HydrophobicContact CD1-CB 4.18Å; I214-L231 HydrophobicContact CG2-CB 3.69Å; I214-L231 HydrophobicContact CG2-CD1 4.1Å; I214-L231 HydrophobicContact CG2-CG 4.45Å; I214-A232 HydrophobicContact CD1-CB 4.26Å
215P98.4Very high98.1Very high79 Ų7981.7 Ų81.751%0.51344%0.439SS..  trans-68.2127.5175.9-1832.8000111.1L213 Y235L213-P215 VanDerWaalsContact O-CD 3.31Å; L213-P215 WeakPolarHBondContact O-CD 3.34Å; P215-Y235 HydrophobicContact CG-CD1 4.44Å; P215-Y235 HydrophobicContact CG-CD2 3.96Å; P215-Y235 HydrophobicContact CG-CE1 4.01Å; P215-Y235 HydrophobicContact CG-CE2 3.51Å; P215-Y235 HydrophobicContact CG-CG 4.41Å
216T98.1Very high98.1Very high33 Ų3383.5 Ų83.520%0.20244%0.44CS..  trans-141155.4175.860.90000111.6R211 I214 P218 P219 L223R211-T216 PolarHBondContact NH2-OG1 3.2Å; I214-T216 HydrophobicContact CG2-CG2 4.1Å; I214-T216 PolarHBondContact O-N 3.26Å; T216-P218 CarbonylContact C-O 3.4Å; T216-P218 CarbonylContact O-C 3.3Å; T216-P218 VanDerWaalsContact O-C 3.3Å; T216-P218 PolarHBondContact OG1-O 3.41Å; T216-P219 WeakPolarHBondContact O-CA 3.48Å; T216-P219 PolarHBondContact OG1-O 3.47Å; T216-L223 HydrophobicContact CG2-CD1 3.96Å
217H97.4Very high98.1Very high179 Ų17984.2 Ų84.283%0.82943%0.433SS*.SBendtrans-117.8120167.3-16966.1000109.5
218P97Very high98.1Very high64 Ų6482.6 Ų82.642%0.41643%0.426SS..SBendcis-68.4163.6-8.733.4-38000112.4T216 D220 K221T216-P218 CarbonylContact C-O 3.4Å; T216-P218 CarbonylContact O-C 3.3Å; T216-P218 VanDerWaalsContact O-C 3.3Å; T216-P218 PolarHBondContact OG1-O 3.41Å; P218-D220 WeakPolarHBondContact CB-OD1 3.48Å; P218-D220 PolarHBondContact O-N 3.18Å; P218-K221 HydrophobicContact CG-CB 4.38Å; P218-K221 WeakPolarHBondContact O-CB 3.37Å; P218-K221 PolarHBondContact O-N 2.83Å
219P96.2Very high98.1Very high105 Ų10584.2 Ų84.268%0.68243%0.427SS*.THydrogen-bonded Turntrans-64.2-27.9-175.824.6-34.2000113.4R211 T216R211-P219 PolarHBondContact NH2-O 2.87Å; R211-P219 VanDerWaalsContact NH2-O 3.11Å; T216-P219 WeakPolarHBondContact O-CA 3.48Å; T216-P219 PolarHBondContact OG1-O 3.47Å
220D95Very high98.1Very high116 Ų11686 Ų8662%0.6243%0.43SS*.THydrogen-bonded Turntrans-91.88.9-179.166.6-35.2000114P218 K222P218-D220 WeakPolarHBondContact CB-OD1 3.48Å; P218-D220 PolarHBondContact O-N 3.18Å; D220-K222 PolarHBondContact O-N 3.02Å
221K97.9Very high98.1Very high98 Ų9886 Ų8643%0.42643%0.429SS..  trans-49125177.1-179.8177.2177.3178.90111.2R211 P218 L223R211-K221 PolarHBondContact NE-O 2.76Å; R211-K221 PolarHBondContact NH2-O 3.44Å; P218-K221 HydrophobicContact CG-CB 4.38Å; P218-K221 WeakPolarHBondContact O-CB 3.37Å; P218-K221 PolarHBondContact O-N 2.83Å; K221-L223 HydrophobicContact CD-CD2 3.94Å; K221-L223 HydrophobicContact CG-CD2 4.06Å; K221-L223 PolarHBondContact O-N 3.27Å
222K97.9Very high98.1Very high190 Ų19084.9 Ų84.983%0.82643%0.428SS*.  trans-71.3122.8173.5-57.4-56.9-178-171.70108.9D220D220-K222 PolarHBondContact O-N 3.02Å
223L98Very high98.1Very high24 Ų2483.6 Ų83.613%0.12643%0.426CS..  trans-113.1139.8176.6-63.3-177.1000109.5I214 T216 K221 E227 I228 L231I214-L223 HydrophobicContact CG2-CD1 4.29Å; T216-L223 HydrophobicContact CG2-CD1 3.96Å; K221-L223 HydrophobicContact CD-CD2 3.94Å; K221-L223 HydrophobicContact CG-CD2 4.06Å; K221-L223 PolarHBondContact O-N 3.27Å; L223-E227 HydrophobicContact CB-CB 4.34Å; L223-E227 HydrophobicContact CD2-CB 4.43Å; L223-I228 HydrophobicContact CB-CD1 4.32Å; L223-I228 HydrophobicContact CB-CG1 3.71Å; L223-I228 HydrophobicContact CD1-CG1 4.2Å; L223-L231 HydrophobicContact CD1-CD1 3.58Å; L223-L231 HydrophobicContact CD2-CD1 4.09Å
224S98.6Very high98.1Very high56 Ų5684.5 Ų84.539%0.39243%0.425SS..  trans-69.2160.6168.768.40000111.3N226 E227 I228S224-N226 PolarHBondContact O-N 3.48Å; S224-E227 VanDerWaalsContact CB-OE2 3.23Å; S224-E227 WeakPolarHBondContact CB-OE2 3.5Å; S224-E227 PolarHBondContact N-OE2 3.22Å; S224-E227 PolarHBondContact O-N 2.95Å; S224-E227 WeakPolarHBondContact OG-CB 3.39Å; S224-E227 VanDerWaalsContact OG-CG 3.25Å; S224-E227 WeakPolarHBondContact OG-CG 3.41Å; S224-E227 PolarHBondContact OG-N 3.19Å; S224-E227 PolarHBondContact OG-OE2 3.32Å; S224-I228 WeakPolarHBondContact O-CG1 3.36Å; S224-I228 PolarHBondContact O-N 3.21Å
225K98.6Very high98.1Very high107 Ų10788.1 Ų88.147%0.46544%0.438SS..Hα-helixtrans-54.4-40.9176-69.9-173.7175.3-173.50111.9N204 F207 I228 L229N204-K225 WeakPolarHBondContact OD1-CE 3.44Å; N204-K225 PolarHBondContact OD1-NZ 3.49Å; F207-K225 HydrophobicContact CD1-CB 4.2Å; F207-K225 HydrophobicContact CD1-CG 4Å; F207-K225 HydrophobicContact CE1-CB 3.67Å; F207-K225 HydrophobicContact CE1-CD 4.49Å; F207-K225 HydrophobicContact CE1-CG 3.92Å; F207-K225 WeakPolarHBondContact CE1-O 3.43Å; F207-K225 HydrophobicContact CE2-CD 4.49Å; F207-K225 HydrophobicContact CG-CG 4.46Å; F207-K225 HydrophobicContact CZ-CB 4.09Å; F207-K225 HydrophobicContact CZ-CD 4.39Å; F207-K225 HydrophobicContact CZ-CG 4.3Å; K225-I228 PolarHBondContact O-N 3.28Å; K225-L229 WeakPolarHBondContact O-CG 3.31Å; K225-L229 PolarHBondContact O-N 3.42Å
226N98.8Very high98.1Very high75 Ų7589.7 Ų89.740%0.40144%0.441SS..Hα-helixtrans-69.6-42-179.2-174.2-82.5000112.2S224 I228 L229 R230S224-N226 PolarHBondContact O-N 3.48Å; N226-I228 VanDerWaalsContact C-N 3.35Å; N226-I228 PolarHBondContact O-N 3.24Å; N226-L229 PolarHBondContact O-N 3.08Å; N226-R230 PolarHBondContact O-N 3.35Å; N226-R230 WeakPolarHBondContact OD1-CD 3.34Å; N226-R230 PolarHBondContact OD1-NE 3.01Å; N226-R230 PolarHBondContact OD1-NH1 3.19Å
227E98.6Very high98.2Very high78 Ų7892.8 Ų92.836%0.36446%0.457SS..Hα-helixtrans-62.3-41.1174.6-71.9166.1119.200112.1L223 S224 L229 R230 L231L223-E227 HydrophobicContact CB-CB 4.34Å; L223-E227 HydrophobicContact CD2-CB 4.43Å; S224-E227 VanDerWaalsContact CB-OE2 3.23Å; S224-E227 WeakPolarHBondContact CB-OE2 3.5Å; S224-E227 PolarHBondContact N-OE2 3.22Å; S224-E227 PolarHBondContact O-N 2.95Å; S224-E227 WeakPolarHBondContact OG-CB 3.39Å; S224-E227 VanDerWaalsContact OG-CG 3.25Å; S224-E227 WeakPolarHBondContact OG-CG 3.41Å; S224-E227 PolarHBondContact OG-N 3.19Å; S224-E227 PolarHBondContact OG-OE2 3.32Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 3Å; E227-R230 PolarHBondContact O-N 3.43Å; E227-L231 VanDerWaalsContact O-CB 3.32Å; E227-L231 WeakPolarHBondContact O-CB 3.25Å; E227-L231 WeakPolarHBondContact O-CG 3.49Å; E227-L231 PolarHBondContact O-N 2.92Å
228I98.8Very high98.2Very high10 Ų1090 Ų905%0.05144%0.442CS..Hα-helixtrans-55.6-48.4175-70.1168.2000110.1F207 L210 R211 I214 L223 S224 K225 N226 L231 A232F207-I228 HydrophobicContact CD1-CB 4.33Å; F207-I228 HydrophobicContact CD1-CD1 4.09Å; F207-I228 HydrophobicContact CD1-CG2 4Å; F207-I228 HydrophobicContact CE1-CB 4.44Å; F207-I228 HydrophobicContact CE1-CG2 4.28Å; L210-I228 HydrophobicContact CB-CG2 4.36Å; L210-I228 HydrophobicContact CD2-CG2 3.68Å; L210-I228 HydrophobicContact CG-CG2 3.84Å; R211-I228 HydrophobicContact CB-CD1 4.02Å; R211-I228 HydrophobicContact CB-CG1 4.44Å; R211-I228 HydrophobicContact CG-CD1 4.47Å; I214-I228 HydrophobicContact CD1-CB 4.16Å; I214-I228 HydrophobicContact CD1-CG1 4.46Å; I214-I228 HydrophobicContact CD1-CG2 3.72Å; I214-I228 VanDerWaalsContact CD1-O 3.24Å; I214-I228 WeakPolarHBondContact CD1-O 3.47Å; L223-I228 HydrophobicContact CB-CD1 4.32Å; L223-I228 HydrophobicContact CB-CG1 3.71Å; L223-I228 HydrophobicContact CD1-CG1 4.2Å; S224-I228 WeakPolarHBondContact O-CG1 3.36Å; S224-I228 PolarHBondContact O-N 3.21Å; K225-I228 PolarHBondContact O-N 3.28Å; N226-I228 VanDerWaalsContact C-N 3.35Å; N226-I228 PolarHBondContact O-N 3.24Å; I228-L231 PolarHBondContact O-N 3.39Å; I228-A232 VanDerWaalsContact O-CB 3.27Å; I228-A232 WeakPolarHBondContact O-CB 3.29Å; I228-A232 PolarHBondContact O-N 3.16Å
229L98.9Very high98.3Very high83 Ų8390 Ų9044%0.43544%0.439SS..Hα-helixtrans-62.4-45.8179.1-65.5175.6000112F207 K225 N226 E227 A232 M233F207-L229 HydrophobicContact CE1-CD2 4.1Å; F207-L229 HydrophobicContact CE1-CG 4.06Å; F207-L229 HydrophobicContact CZ-CD1 4.28Å; F207-L229 HydrophobicContact CZ-CD2 4.04Å; F207-L229 HydrophobicContact CZ-CG 4.17Å; K225-L229 WeakPolarHBondContact O-CG 3.31Å; K225-L229 PolarHBondContact O-N 3.42Å; N226-L229 PolarHBondContact O-N 3.08Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 3Å; L229-A232 PolarHBondContact O-N 2.79Å; L229-M233 PolarHBondContact O-N 3.33Å
230R98.8Very high98.4Very high146 Ų14687.1 Ų87.155%0.55142%0.423SS*.Hα-helixtrans-65.2-42.8-180-72.2-179.3175.7147-1.7112.5N226 E227 M233 K234N226-R230 PolarHBondContact O-N 3.35Å; N226-R230 WeakPolarHBondContact OD1-CD 3.34Å; N226-R230 PolarHBondContact OD1-NE 3.01Å; N226-R230 PolarHBondContact OD1-NH1 3.19Å; E227-R230 PolarHBondContact O-N 3.43Å; R230-M233 HydrophobicContact CG-CE 4.33Å; R230-K234 WeakPolarHBondContact O-CG 3.45Å; R230-K234 PolarHBondContact O-N 3.28Å; R230-K234 VanDerWaalsContact O-N 3.12Å
231L98.8Very high98.5Very high55 Ų5588.2 Ų88.229%0.28842%0.423SS..Hα-helixtrans-70.3-35.9179.1-74168.4000111.8I214 L223 E227 I228 K234 Y235I214-L231 HydrophobicContact CD1-CB 4.18Å; I214-L231 HydrophobicContact CG2-CB 3.69Å; I214-L231 HydrophobicContact CG2-CD1 4.1Å; I214-L231 HydrophobicContact CG2-CG 4.45Å; L223-L231 HydrophobicContact CD1-CD1 3.58Å; L223-L231 HydrophobicContact CD2-CD1 4.09Å; E227-L231 VanDerWaalsContact O-CB 3.32Å; E227-L231 WeakPolarHBondContact O-CB 3.25Å; E227-L231 WeakPolarHBondContact O-CG 3.49Å; E227-L231 PolarHBondContact O-N 2.92Å; I228-L231 PolarHBondContact O-N 3.39Å; L231-K234 PolarHBondContact O-N 3.38Å; L231-Y235 WeakPolarHBondContact O-CB 3.33Å; L231-Y235 PolarHBondContact O-N 3.42Å
232A98.9Very high98.5Very high15 Ų1586.9 Ų86.912%0.12442%0.42CS..Hα-helixtrans-59.4-47.8173.800000111.7L210 I214 I228 L229 K234 Y235 I236L210-A232 HydrophobicContact CD1-CB 4.12Å; L210-A232 HydrophobicContact CD2-CB 4.3Å; L210-A232 HydrophobicContact CG-CB 4.47Å; I214-A232 HydrophobicContact CD1-CB 4.26Å; I228-A232 VanDerWaalsContact O-CB 3.27Å; I228-A232 WeakPolarHBondContact O-CB 3.29Å; I228-A232 PolarHBondContact O-N 3.16Å; L229-A232 PolarHBondContact O-N 2.79Å; A232-K234 PolarHBondContact O-N 2.89Å; A232-Y235 PolarHBondContact O-N 3.17Å; A232-I236 WeakPolarHBondContact O-CG1 3.39Å; A232-I236 PolarHBondContact O-N 2.87Å
233M98.8Very high98.5Very high111 Ų11182.6 Ų82.655%0.54741%0.406SS..Hα-helixtrans-59.9-45.7175.7-68.6-177-69.900111.8L229 R230 Y235 I236 N237L229-M233 PolarHBondContact O-N 3.33Å; R230-M233 HydrophobicContact CG-CE 4.33Å; M233-Y235 VanDerWaalsContact C-N 3.3Å; M233-Y235 PolarHBondContact O-N 2.97Å; M233-I236 PolarHBondContact O-N 2.87Å; M233-N237 VanDerWaalsContact O-CG 3.27Å; M233-N237 PolarHBondContact O-N 2.73Å; M233-N237 PolarHBondContact O-ND2 2.92Å
234K98.6Very high98.4Very high143 Ų14385.6 Ų85.662%0.62242%0.422SS*.Hα-helixtrans-60.3-40.6176.6-73.2178.9-178.8-173.50112R230 L231 A232 N237 F238R230-K234 WeakPolarHBondContact O-CG 3.45Å; R230-K234 PolarHBondContact O-N 3.28Å; R230-K234 VanDerWaalsContact O-N 3.12Å; L231-K234 PolarHBondContact O-N 3.38Å; A232-K234 PolarHBondContact O-N 2.89Å; K234-N237 PolarHBondContact O-N 2.92Å; K234-F238 WeakPolarHBondContact O-CB 3.33Å; K234-F238 PolarHBondContact O-N 2.91Å
235Y98.8Very high98.2Very high83 Ų8387.3 Ų87.333%0.32543%0.427SS..Hα-helixtrans-71.1-41.4-178.2-171.6-130000112L213 P215 L231 A232 M233 N237 F238 L239L213-Y235 WeakPolarHBondContact O-CE1 3.23Å; P215-Y235 HydrophobicContact CG-CD1 4.44Å; P215-Y235 HydrophobicContact CG-CD2 3.96Å; P215-Y235 HydrophobicContact CG-CE1 4.01Å; P215-Y235 HydrophobicContact CG-CE2 3.51Å; P215-Y235 HydrophobicContact CG-CG 4.41Å; L231-Y235 WeakPolarHBondContact O-CB 3.33Å; L231-Y235 PolarHBondContact O-N 3.42Å; A232-Y235 PolarHBondContact O-N 3.17Å; M233-Y235 VanDerWaalsContact C-N 3.3Å; M233-Y235 PolarHBondContact O-N 2.97Å; Y235-N237 VanDerWaalsContact C-N 3.34Å; Y235-N237 PolarHBondContact O-N 3.08Å; Y235-F238 HydrophobicContact CD2-CD1 4.11Å; Y235-F238 HydrophobicContact CE2-CD1 4.09Å; Y235-F238 WeakPolarHBondContact O-CB 3.41Å; Y235-F238 PolarHBondContact O-N 2.87Å; Y235-L239 HydrophobicContact CD1-CD1 4.19Å; Y235-L239 HydrophobicContact CD2-CG 4.34Å; Y235-L239 HydrophobicContact CE1-CD1 3.81Å; Y235-L239 HydrophobicContact CE1-CG 4.48Å; Y235-L239 HydrophobicContact CE2-CD1 4.23Å; Y235-L239 HydrophobicContact CE2-CD2 3.98Å; Y235-L239 HydrophobicContact CE2-CG 4.02Å; Y235-L239 WeakPolarHBondContact O-CG 3.31Å; Y235-L239 PolarHBondContact O-N 3.43Å
236I98.8Very high98Very high112 Ų11287.7 Ų87.757%0.57443%0.43SS*.Hα-helixtrans-57.5-48.8172-67.1165000110.3A232 M233 F238 L239 A240A232-I236 WeakPolarHBondContact O-CG1 3.39Å; A232-I236 PolarHBondContact O-N 2.87Å; M233-I236 PolarHBondContact O-N 2.87Å; I236-F238 VanDerWaalsContact C-N 3.32Å; I236-F238 PolarHBondContact O-N 2.72Å; I236-L239 PolarHBondContact O-N 2.68Å; I236-A240 WeakPolarHBondContact O-CB 3.36Å; I236-A240 PolarHBondContact O-N 2.79Å
237N98.7Very high97.6Very high98 Ų9890.6 Ų90.652%0.52444%0.441SS..Hα-helixtrans-64.5-36.5179.3-68.5-16000112.6M233 K234 Y235 A240 K241M233-N237 VanDerWaalsContact O-CG 3.27Å; M233-N237 PolarHBondContact O-N 2.73Å; M233-N237 PolarHBondContact O-ND2 2.92Å; K234-N237 PolarHBondContact O-N 2.92Å; Y235-N237 VanDerWaalsContact C-N 3.34Å; Y235-N237 PolarHBondContact O-N 3.08Å; N237-A240 PolarHBondContact O-N 2.72Å; N237-K241 WeakPolarHBondContact O-CG 3.4Å; N237-K241 PolarHBondContact O-N 3.25Å
238F98.6Very high96.9Very high120 Ų12092.9 Ų92.953%0.52645%0.452SS..Hα-helixtrans-61.9-48174.6169.6-98.6000111.3K234 Y235 I236 K241 L242K234-F238 WeakPolarHBondContact O-CB 3.33Å; K234-F238 PolarHBondContact O-N 2.91Å; Y235-F238 HydrophobicContact CD2-CD1 4.11Å; Y235-F238 HydrophobicContact CE2-CD1 4.09Å; Y235-F238 WeakPolarHBondContact O-CB 3.41Å; Y235-F238 PolarHBondContact O-N 2.87Å; I236-F238 VanDerWaalsContact C-N 3.32Å; I236-F238 PolarHBondContact O-N 2.72Å; F238-K241 PolarHBondContact O-N 3.1Å; F238-L242 HydrophobicContact CE1-CD2 4.43Å; F238-L242 WeakPolarHBondContact O-CB 3.3Å; F238-L242 PolarHBondContact O-N 3.01Å
239L98.5Very high95.8Very high65 Ų6598.9 Ų98.934%0.3448%0.48SS..Hα-helixtrans-64.2-40.2177.7-65.7176.5000111.7Y235 I236 L242 L243Y235-L239 HydrophobicContact CD1-CD1 4.19Å; Y235-L239 HydrophobicContact CD2-CG 4.34Å; Y235-L239 HydrophobicContact CE1-CD1 3.81Å; Y235-L239 HydrophobicContact CE1-CG 4.48Å; Y235-L239 HydrophobicContact CE2-CD1 4.23Å; Y235-L239 HydrophobicContact CE2-CD2 3.98Å; Y235-L239 HydrophobicContact CE2-CG 4.02Å; Y235-L239 WeakPolarHBondContact O-CG 3.31Å; Y235-L239 PolarHBondContact O-N 3.43Å; I236-L239 PolarHBondContact O-N 2.68Å; L239-L242 PolarHBondContact O-N 2.65Å; L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 2.63Å
240A98.3Very high94.1Very high44 Ų4497.3 Ų97.336%0.36448%0.483SS..Hα-helixtrans-61.5-45176.800000112.2I236 N237 L243 N244I236-A240 WeakPolarHBondContact O-CB 3.36Å; I236-A240 PolarHBondContact O-N 2.79Å; N237-A240 PolarHBondContact O-N 2.72Å; A240-L243 PolarHBondContact O-N 2.94Å; A240-N244 PolarHBondContact O-N 2.99Å; A240-N244 VanDerWaalsContact O-N 3.17Å; A240-N244 PolarHBondContact O-OD1 3.22Å
241K97.8Very high92.3Very high140 Ų14095.1 Ų95.161%0.60949%0.486SS*.Hα-helixtrans-62.6-45.7174.9-72.2-178.7179.3-168.50111.9N237 F238 L243 N244 D245N237-K241 WeakPolarHBondContact O-CG 3.4Å; N237-K241 PolarHBondContact O-N 3.25Å; F238-K241 PolarHBondContact O-N 3.1Å; K241-L243 PolarHBondContact O-N 3.48Å; K241-N244 PolarHBondContact O-N 3.39Å; K241-N244 VanDerWaalsContact O-N 3.1Å; K241-D245 VanDerWaalsContact O-CG 3.23Å; K241-D245 PolarHBondContact O-N 2.95Å
242L97.6Very high90.4Very high70 Ų7098.9 Ų98.937%0.36650%0.502SS..Hα-helixtrans-56.9-36.8178.7-179.365.4000112.3F238 L239 Q246F238-L242 HydrophobicContact CE1-CD2 4.43Å; F238-L242 WeakPolarHBondContact O-CB 3.3Å; F238-L242 PolarHBondContact O-N 3.01Å; L239-L242 PolarHBondContact O-N 2.65Å; L242-Q246 VanDerWaalsContact O-CG 3.26Å; L242-Q246 WeakPolarHBondContact O-CG 3.19Å; L242-Q246 PolarHBondContact O-N 2.88Å
243L97Very high88.3Confident100 Ų100109.2 Ų109.252%0.52454%0.538SS..Hα-helixtrans-70.3-44.6176-68.8171.1000111.9L239 A240 K241 D245 Q246 E247L239-L243 WeakPolarHBondContact O-CG 3.41Å; L239-L243 PolarHBondContact O-N 2.63Å; A240-L243 PolarHBondContact O-N 2.94Å; K241-L243 PolarHBondContact O-N 3.48Å; L243-D245 PolarHBondContact O-N 3.5Å; L243-Q246 WeakPolarHBondContact O-CB 3.48Å; L243-Q246 PolarHBondContact O-N 3.11Å; L243-E247 PolarHBondContact O-N 3.4Å
244N95.8Very high86.3Confident86 Ų86107.5 Ų107.546%0.4654%0.542SS..Hα-helixtrans-61.2-44178.2-64.5-15.7000111.9A240 K241 Q246 E247 E248A240-N244 PolarHBondContact O-N 2.99Å; A240-N244 VanDerWaalsContact O-N 3.17Å; A240-N244 PolarHBondContact O-OD1 3.22Å; K241-N244 PolarHBondContact O-N 3.39Å; K241-N244 VanDerWaalsContact O-N 3.1Å; N244-Q246 PolarHBondContact O-N 3.2Å; N244-E247 PolarHBondContact O-N 3.3Å; N244-E247 VanDerWaalsContact O-N 3.14Å; N244-E248 PolarHBondContact O-N 3.41Å
245D95.4Very high84.1Confident93 Ų93109 Ų10950%0.49755%0.548SS..Hα-helixtrans-61.5-32.7179.6-63-10.4000111.5K241 L243 E249K241-D245 VanDerWaalsContact O-CG 3.23Å; K241-D245 PolarHBondContact O-N 2.95Å; L243-D245 PolarHBondContact O-N 3.5Å; D245-E249 PolarHBondContact O-N 3.22Å; D245-E249 VanDerWaalsContact O-N 3.15Å
246Q94.4Very high81.7Confident114 Ų114110.6 Ų110.653%0.53357%0.568SS.*Hα-helixtrans-71.1-35.4176.8-73.217410.700113L242 L243 N244 G250L242-Q246 VanDerWaalsContact O-CG 3.26Å; L242-Q246 WeakPolarHBondContact O-CG 3.19Å; L242-Q246 PolarHBondContact O-N 2.88Å; L243-Q246 WeakPolarHBondContact O-CB 3.48Å; L243-Q246 PolarHBondContact O-N 3.11Å; N244-Q246 PolarHBondContact O-N 3.2Å; Q246-G250 PolarHBondContact O-N 2.72Å
247E90.6Very high79.8Confident136 Ų136108.7 Ų108.764%0.63658%0.576SS**Hα-helixtrans-67.9-37.6176.9-67.6-180-175.100111.4L243 N244 T251L243-E247 PolarHBondContact O-N 3.4Å; N244-E247 PolarHBondContact O-N 3.3Å; N244-E247 VanDerWaalsContact O-N 3.14Å; E247-T251 PolarHBondContact O-N 3.31Å; E247-T251 PolarHBondContact O-OG1 3.31Å
248E82.5Confident77.4Confident127 Ų127113.9 Ų113.959%0.59359%0.594SS**Hα-helixtrans-68.8-45.6176.8-67.2-173.8-179.800112.2N244 G250 T251 Q252N244-E248 PolarHBondContact O-N 3.41Å; E248-G250 PolarHBondContact O-N 2.6Å; E248-T251 PolarHBondContact O-N 3.04Å; E248-Q252 WeakPolarHBondContact O-CG 3.28Å; E248-Q252 PolarHBondContact O-N 3.47Å; E248-Q252 VanDerWaalsContact O-N 3.1Å
249E75.6Confident75.5Confident136 Ų136114.9 Ų114.964%0.63661%0.605SS**Hα-helixtrans-62.3-40.6175.4-84.6-86.3145.600112.3D245 T251 Q252 R253D245-E249 PolarHBondContact O-N 3.22Å; D245-E249 VanDerWaalsContact O-N 3.15Å; E249-T251 VanDerWaalsContact C-N 3.29Å; E249-T251 PolarHBondContact O-N 3.3Å; E249-Q252 PolarHBondContact O-N 2.92Å; E249-R253 PolarHBondContact O-N 2.89Å
250G64.4Low73.5Confident49 Ų49117.9 Ų117.951%0.50563%0.629SS.*Hα-helixtrans-63.8-32.4176.300000113.4Q246 E248Q246-G250 PolarHBondContact O-N 2.72Å; E248-G250 PolarHBondContact O-N 2.6Å
251T61.4Low71.2Confident101 Ų101122 Ų12262%0.6265%0.649SS**Hα-helixtrans-79.5-29.5178.3-54.40000112.2E247 E248 E249 A254E247-T251 PolarHBondContact O-N 3.31Å; E247-T251 PolarHBondContact O-OG1 3.31Å; E248-T251 PolarHBondContact O-N 3.04Å; E249-T251 VanDerWaalsContact C-N 3.29Å; E249-T251 PolarHBondContact O-N 3.3Å; T251-A254 PolarHBondContact O-N 3.34Å
252Q57.6Low69.1Low133 Ų133122.2 Ų122.262%0.62166%0.662SS**Hα-helixtrans-74.2-29.2176.7-69.4-170.741.100113.2E248 E249 A254E248-Q252 WeakPolarHBondContact O-CG 3.28Å; E248-Q252 PolarHBondContact O-N 3.47Å; E248-Q252 VanDerWaalsContact O-N 3.1Å; E249-Q252 PolarHBondContact O-N 2.92Å; Q252-A254 VanDerWaalsContact C-N 3.26Å; Q252-A254 PolarHBondContact O-N 3.38Å
253R56.4Low66.6Low233 Ų233122.3 Ų122.388%0.87968%0.679SS**THydrogen-bonded Turntrans-73.2-12.5172.2-95-121176.5-171.9-1.3114.7E249E249-R253 PolarHBondContact O-N 2.89Å
254A56.6Low64.2Low75 Ų75122.9 Ų122.962%0.6270%0.699SS**THydrogen-bonded Turntrans-93.710.7179.600000114.1T251 Q252 P256T251-A254 PolarHBondContact O-N 3.34Å; Q252-A254 VanDerWaalsContact C-N 3.26Å; Q252-A254 PolarHBondContact O-N 3.38Å; A254-P256 WeakPolarHBondContact O-CD 3.22Å
255K52.6Low61.7Low174 Ų174122.5 Ų122.576%0.75772%0.716SS**  trans-86.1103.9167.2-73.6-176.8179.1171.10109.4
256P47.6Very low59.3Low116 Ų116122 Ų12275%0.75373%0.733SS**  trans-63.8142168.229.3-33.2000108.4A254 K258A254-P256 WeakPolarHBondContact O-CD 3.22Å; P256-K258 PolarHBondContact O-N 2.85Å
257G58.1Low56.9Low72 Ų72120.7 Ų120.774%0.74275%0.749SS**  trans-46.9124.3178.400000111.4
258K49.6Very low54.6Low207 Ų207118.1 Ų118.190%0.976%0.759SS**  trans-92.7101.2156.1-98.3168.4173.7171.90106P256P256-K258 PolarHBondContact O-N 2.85Å
259D58.3Low52.7Low141 Ų141116.2 Ų116.275%0.75477%0.773SS**  trans-50.8133.5163-58.2-58.6000108.9V261D259-V261 VanDerWaalsContact C-N 3.28Å; D259-V261 PolarHBondContact O-N 3.3Å
260P56.3Low51.1Low128 Ų128113.7 Ų113.783%0.83178%0.784SS**  trans-78.283.7173.331.9-31.2000108.5V262P260-V262 PolarHBondContact O-N 3.17Å
261V49.3Very low49.9Very low131 Ų131115.1 Ų115.179%0.79480%0.799SS**  trans-79.1111.3161.166.30000108.4D259 G263D259-V261 VanDerWaalsContact C-N 3.28Å; D259-V261 PolarHBondContact O-N 3.3Å; V261-G263 PolarHBondContact O-N 3.21Å
262V54Low48.9Very low144 Ų144114.2 Ų114.287%0.87381%0.809SS**  trans-51.5117.5167.8-96.30000110.2P260P260-V262 PolarHBondContact O-N 3.17Å
263G44.4Very low48.2Very low72 Ų72111.9 Ų111.974%0.74282%0.821SS**  trans-166.2101.2176.100000110.8V261V261-G263 PolarHBondContact O-N 3.21Å
264A48.5Very low47.3Very low112 Ų112104.4 Ų104.493%0.92682%0.816SS**  trans-60.8144179.600000112.8
265G43.3Very low46.6Very low79 Ų79105.6 Ų105.681%0.81483%0.826SS**  trans145.692.4157.300000116.2
266G43.8Very low47.1Very low83 Ų83102.8 Ų102.886%0.85683%0.826SS**  trans79.1108.2132.700000120
267G43.8Very low47.1Very low85 Ų85103 Ų10388%0.87683%0.827SS**  103.4106.5122.400000118.8
268G43.8Very low46.8Very low82 Ų82106.7 Ų106.785%0.84583%0.83SS**  107.6106.312400000118.7
269G41.5Very low46.8Very low87 Ų87102.9 Ų102.990%0.89782%0.82SS**  trans83126153.200000114.3
270G41.5Very low46.6Very low84 Ų84103.8 Ų103.887%0.86682%0.823SS**  cis145.8129.219.900000105.2
271G39.6Very low46.5Very low79 Ų79105.6 Ų105.681%0.81483%0.825SS**  trans144.790.3178.200000111.5
272G39.8Very low46.5Very low81 Ų81106.3 Ų106.384%0.83582%0.82SS**  trans-58.6151-175.900000113.8
273G43.2Very low46.1Very low84 Ų84107 Ų10787%0.86682%0.819SS**  trans-82.9-175.4-178.300000114.9
274G37.6Very low46.4Very low76 Ų76109.9 Ų109.978%0.78482%0.822SS**  trans103.379.5146.500000117.3
275A42.8Very low46.7Very low100 Ų100111.9 Ų111.983%0.82682%0.816SS**  trans67.7154.4135.500000120.7
276P63Low47.2Very low116 Ų116114 Ų11475%0.75382%0.818SS**  trans-93.4171.5-163.439.6-33.2000112.9
277P48Very low47.7Very low120 Ų120115.4 Ų115.478%0.77981%0.813SS**  -144.1158.9103.135.9-19.9000115.3
278D51.9Low48.2Very low150 Ų150118 Ų11880%0.80281%0.807SS**  trans-35.5127.3150.1-69.5-99.9000112.5
279D48.2Very low48Very low127 Ų127120.1 Ų120.168%0.67981%0.808SS**  trans163.484.5142.4-100.3-46.5000111.1
280L54Low48.5Very low159 Ų159121.1 Ų121.183%0.83280%0.801SS**SBendtrans-141.622.3167-151.867.9000115
281L53.8Low48.6Very low166 Ų166123.1 Ų123.187%0.86980%0.801SS**SBendtrans-136.321.5171.3-70177.5000114.1
282Q49.2Very low49Very low146 Ų146122.3 Ų122.368%0.68279%0.792SS**  trans-105.6-7176.4-134.287.178.700114.6V284Q282-V284 PolarHBondContact O-N 3.33Å
283D46.3Very low49.1Very low158 Ų158124.6 Ų124.685%0.84580%0.795SS**THydrogen-bonded Turntrans-89.328.9-173-80.3-23000116.4
284V50.5Low49.2Very low134 Ų134125.6 Ų125.681%0.81279%0.789SS**THydrogen-bonded Turntrans-110.89.6168.8-79.60000113.9Q282Q282-V284 PolarHBondContact O-N 3.33Å
285L54.6Low49.7Very low153 Ų153129.6 Ų129.680%0.80179%0.792SS**  trans-12488.4170.1-62175.3000108.5P287L285-P287 VanDerWaalsContact O-CD 3.29Å; L285-P287 WeakPolarHBondContact O-CD 3.43Å
286S53.6Low49.9Very low124 Ų124132.5 Ų132.587%0.86779%0.793SS**  trans-88.2116.6172-167.20000109.7
287P54.9Low49.2Very low113 Ų113130.8 Ų130.873%0.73480%0.797SS**  trans-109.4126.7164.223.2-2.9000110.3L285L285-P287 VanDerWaalsContact O-CD 3.29Å; L285-P287 WeakPolarHBondContact O-CD 3.43Å
288N55Low48.7Very low140 Ų140130.2 Ų130.275%0.74980%0.802SS**  trans75.4102.6159.7-159.427.4000117.3
289S38.9Very low48.1Very low125 Ų125127.8 Ų127.887%0.87480%0.803SS**  trans-138.692.7145.7-78.10000109C291S289-C291 PolarHBondContact O-N 3.31Å
290S53.2Low47.8Very low108 Ų108126.9 Ų126.976%0.75581%0.807SS**  trans-49.9119.1148.6177.60000109.5
291C43.2Very low47.9Very low126 Ų126124.2 Ų124.285%0.85180%0.799SS**  trans-125.9111.2151.383.20000108.8S289S289-C291 PolarHBondContact O-N 3.31Å
292G47.3Very low47Very low62 Ų62123.7 Ų123.764%0.63980%0.797SS**  trans-82.4148.8163.300000110.5
293S42.3Very low46.4Very low129 Ų129122 Ų12290%0.90280%0.802SS**  trans169.6139.6152.6-72.70000105
294S44.5Very low46.2Very low105 Ų105124.7 Ų124.773%0.73480%0.801SS**  cis-153.9147.115.8-176.80000107.7
295L49.4Very low46Very low161 Ų161122.5 Ų122.584%0.84379%0.788SS**  trans-61.2131.2161.6-78.3124.9000109.3
296D47.3Very low45.3Very low160 Ų160123.6 Ų123.686%0.85679%0.79SS**  trans-147.6114.4142.1-87.4-57.4000107.9
297G46.3Very low44.8Very low81 Ų81126.4 Ų126.484%0.83579%0.789SS**  trans-85138.2176.400000110.6
298A38.5Very low44.9Very low107 Ų107126.4 Ų126.488%0.88479%0.789SS**  trans-133.7143.5155.800000109.1
299A38.3Very low44.2Very low100 Ų100124.3 Ų124.383%0.82679%0.791SS**  trans-70.8146.1-154.100000115.9
300S43.3Very low44.9Very low107 Ų107123.4 Ų123.475%0.74878%0.782SS**  trans-57.6151.3150.6-154.10000109.3
301P54.8Low44.4Very low103 Ų103126.7 Ų126.767%0.66978%0.783SS**  -148.215953.137.1-15.3000117
302D34.9Very low44.2Very low155 Ų155128.4 Ų128.483%0.82978%0.778SS**  179.2113.1120.2-90.5-35.4000112.5
303S38.4Very low44Very low112 Ų112131.5 Ų131.578%0.78379%0.785SS**  trans19.6122.3143.3-160.30000121
304Y41.6Very low44.3Very low213 Ų213130.1 Ų130.184%0.83578%0.781SS**  -171.7101.2116-160.7-103.8000113
305T44.8Very low44.3Very low88 Ų88136.1 Ų136.154%0.5479%0.788SS.*  trans69.6127.1132.6-28.30000124.6
306E40.2Very low43.8Very low177 Ų177133.4 Ų133.483%0.82778%0.782SS**  trans66.594.1155.4-101.8173.380.800120.2
307E44.2Very low43.4Very low182 Ų182132.4 Ų132.485%0.8578%0.776SS**  80.5123.478.3-138.8-153.896.400114.6
308P55.8Low43.3Very low113 Ų113137 Ų13773%0.73478%0.776SS**  trans-108.2163-175.338.8-27.1000112.3
309A40.2Very low44Very low97 Ų97137.2 Ų137.280%0.80277%0.768SS**  trans-172.9161.9143.300000116.1
310P54.4Low43.9Very low106 Ų106136.2 Ų136.269%0.68876%0.76SS**  trans-123.4-179.8-164.934.8-13.2000115.2
311K42.5Very low43.6Very low176 Ų176139.4 Ų139.477%0.76577%0.765SS**  trans87.1145.6154.3-52.2-179.7-177.9173.10121.4
312H39.2Very low43.4Very low163 Ų163142.1 Ų142.176%0.75577%0.773SS**  trans79125.8164.7-56.6-81.4000116.2
313T43.9Very low44.2Very low127 Ų127141.1 Ų141.178%0.77978%0.775SS**  -172.1144.270.735.90000111.8
314A46.8Very low44.6Very low99 Ų99140.6 Ų140.682%0.81878%0.777SS**  trans-83.7135.8161.300000110.3
315R46.1Very low44.8Very low231 Ų231135 Ų13587%0.87278%0.775SS**  trans-159.4107.6158.3-56.9-175.394.9115.6-4106.3
316S37.6Very low44.7Very low104 Ų104139.1 Ų139.173%0.72779%0.794SS**  50.8107.569.1-147.30000115.3
317L40.3Very low44.7Very low139 Ų139133.6 Ų133.673%0.72879%0.785SS**  trans59.9125.6146.4-56.2166.7000120
318H42.3Very low44.8Very low179 Ų179130 Ų13083%0.82979%0.786SS**  179.5163.699-101.3-86.9000113.7
319P54.3Low44Very low110 Ų110128.4 Ų128.471%0.71479%0.79SS**  trans-108.6-167.1-158.944.1-37000114.6
320A36.4Very low44.9Very low80 Ų80129.5 Ų129.566%0.66179%0.789SS**  trans107.1135.7168.900000113.4
321M37.7Very low44.2Very low173 Ų173139.7 Ų139.785%0.85281%0.813SS**  -154.1140.258.8-71.4-103.780.500113
322L49.9Very low44.2Very low161 Ų161137.9 Ų137.984%0.84382%0.816SS**  trans-65.7160.4157.2-65.2162.4000110.4
323P51.8Low44.5Very low133 Ų133136.5 Ų136.586%0.86482%0.819SS**  trans-115.1124.1145.932-22.5000111.2
324A47Very low44.5Very low101 Ų101137.1 Ų137.184%0.83582%0.821SS**  trans-121.3123.3161.400000108.2
325A46.1Very low44.4Very low97 Ų97139.3 Ų139.380%0.80282%0.822SS**  trans-168.5100.2157.200000104.7
326D41.5Very low44.3Very low173 Ų173133.6 Ų133.693%0.92582%0.818SS**  79.9132.374.1-163.231.4000113.6
327G41.4Very low44.8Very low62 Ų62135.5 Ų135.564%0.63982%0.824SS**  trans111.1100.8149.900000120.4
328A44.8Very low45.1Very low107 Ų107135.3 Ų135.388%0.88483%0.831SS**  93.989.6128.900000122.5
329G39.8Very low45.3Very low78 Ų78131.9 Ų131.980%0.80483%0.832SS**  50.7-174.9128.100000122.6
330P60Low44.5Very low120 Ų120133.8 Ų133.878%0.77984%0.841SS**  cis-126.3160.1-31.438-23.9000112.8
331R38.1Very low45.3Very low320 Ų320138.6 Ų138.6100%1.20886%0.858SS**  trans157.90135.6-88.9176176.3-97.9-2.2112.1

Retrieved 331 of 331 residues in 36.1 ms (Link to these results)