A0A087YHJ5_POEFO Loading...

Ankyrin repeat domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YHJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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
1M41.2Very low44.9Very low252 Ų252144.7 Ų144.7100%1.24181%0.811SS**  0123.70-68.6-158-80.200106.5
2G41.3Very low44.3Very low76 Ų76139.9 Ų139.978%0.78482%0.818SS**  cis-135.3171.421.500000114.1
3L38.9Very low43.9Very low181 Ų181145.1 Ų145.195%0.94883%0.825SS**PPolyproline II helixtrans-74.9136.1-171.7-64.2149.7000110.7
4L44.4Very low43.3Very low155 Ų155152.3 Ų152.381%0.81283%0.832SS**PPolyproline II helixtrans-78.2139.7167.1-74.3160.7000109.5
5S53.6Low42.6Very low82 Ų82148.7 Ų148.757%0.57382%0.823SS**PPolyproline II helixtrans-67.9143.7-178.6-173.70000111.7E7S5-E7 PolarHBondContact O-N 2.91Å; S5-E7 VanDerWaalsContact O-N 3.08Å
6V45.5Very low42.2Very low126 Ų126150.8 Ų150.876%0.76482%0.824SS**G310 helixtrans-69.4-4-173.2-173.60000113.1
7E45.3Very low41.5Very low159 Ų159150.8 Ų150.874%0.74383%0.83SS**G310 helixtrans-82.1-14.3-176.2-70.2-177.9152.800114.7S5S5-E7 PolarHBondContact O-N 2.91Å; S5-E7 VanDerWaalsContact O-N 3.08Å
8E49.3Very low40.9Very low156 Ų156154.7 Ų154.773%0.72983%0.83SS**G310 helixtrans-91.80.7-176.5-68.6-174.8154.500114.7
9L46Very low40.6Very low162 Ų162155.4 Ų155.485%0.84883%0.828SS**G310 helixtrans-100.12.9-178.7-93159.9000115.2
10V44.8Very low40.5Very low126 Ų126152.2 Ų152.276%0.76482%0.816SS**SBendtrans-124.8-9.8-171.8-1730000114.7G12V10-G12 PolarHBondContact O-N 3.16Å
11T43.3Very low40.1Very low117 Ų117153 Ų15372%0.71882%0.82SS**  trans-103.973179.853.60000111.4K13T11-K13 PolarHBondContact O-N 3.16Å
12G38.6Very low39.8Very low87 Ų87148 Ų14890%0.89780%0.798SS**  trans-70.962.8172.600000113.9V10V10-G12 PolarHBondContact O-N 3.16Å
13K38.5Very low39.6Very low207 Ų207154 Ų15490%0.980%0.803SS**  trans-101.9111.6162.9-91.9-174.2175.7179.20109.2T11T11-K13 PolarHBondContact O-N 3.16Å
14R35.4Very low39.6Very low246 Ų246151 Ų15193%0.92880%0.795SS**  trans-100.1132.3158.2-131.6179.8-171.8-175.61.5108.5
15S33.6Very low39.1Very low99 Ų99147.1 Ų147.169%0.69279%0.792SS**  trans-60.4133178.7380000113
16E35.4Very low38.2Very low181 Ų181146.2 Ų146.285%0.84680%0.795SS**  81.9116.2110.3-70.1-172.6168.600116.1
17V30.2Very low37.7Very low152 Ų152148.9 Ų148.992%0.92180%0.799SS**  -149.6135.9115.51800000108.1
18R31.4Very low37.2Very low221 Ų221151.9 Ų151.983%0.83481%0.805SS**  trans-106.4148.5-175.9-146.6-178.2-163.2-175.22.8109.4
19E34.1Very low36.7Very low168 Ų168152.7 Ų152.779%0.78581%0.809SS**  trans160154.7134.2-81.4-74.7124.200110.6
20P40.1Very low36.3Very low90 Ų90149.1 Ų149.158%0.58480%0.803SS**  -111.9157.4-125.940-35.2000113.9
21N30.9Very low35.8Very low169 Ų169147.8 Ų147.890%0.90481%0.805SS**  trans-151.3118.8149.2-90.4-41.5000109.3
22D35.7Very low35.3Very low147 Ų147151.9 Ų151.979%0.78681%0.813SS**  trans-55.7137.9172.3-69.5-53000111.7
23F36.7Very low35.1Very low204 Ų204158.8 Ų158.890%0.89581%0.812SS**  -176.3141.1129.5-96.7-73.2000108.6
24P38.2Very low35Very low118 Ų118155.8 Ų155.877%0.76681%0.806SS**PPolyproline II helixtrans-78138.7-167.330.9-27.9000111.4
25G34.4Very low34.9Very low73 Ų73150.9 Ų150.975%0.75380%0.798SS**PPolyproline II helixtrans-62.7131.6-177.800000112.8E27G25-E27 PolarHBondContact O-N 3.22Å
26G34.8Very low35Very low62 Ų62157 Ų15764%0.63981%0.806SS**PPolyproline II helixtrans-64.5124.1167.400000110.6Y28G26-Y28 WeakPolarHBondContact O-CD1 3.39Å; G26-Y28 WeakPolarHBondContact O-CE1 3.46Å; G26-Y28 PolarHBondContact O-N 2.89Å
27E35.2Very low35Very low183 Ų183159.1 Ų159.186%0.85581%0.806SS**PPolyproline II helixtrans-70123.5173.8-64177.5162.800109.7G25 E29G25-E27 PolarHBondContact O-N 3.22Å; E27-E29 PolarHBondContact O-N 2.93Å
28Y34.3Very low35.3Very low221 Ų221157.6 Ų157.687%0.86780%0.802SS**  trans-90.597.6170.611-93.5000108.3G26 A30G26-Y28 WeakPolarHBondContact O-CD1 3.39Å; G26-Y28 WeakPolarHBondContact O-CE1 3.46Å; G26-Y28 PolarHBondContact O-N 2.89Å; Y28-A30 PolarHBondContact O-N 2.98Å
29E39.9Very low35.4Very low174 Ų174155.4 Ų155.481%0.81381%0.806SS**  trans-68103.4166.6-86.8-73.8172.100109.5E27 A31E27-E29 PolarHBondContact O-N 2.93Å; E29-A31 PolarHBondContact O-N 2.78Å
30A37.4Very low35.2Very low86 Ų86156.1 Ų156.171%0.71181%0.81SS**  trans-83.1106.3170.400000108.8Y28 K32Y28-A30 PolarHBondContact O-N 2.98Å; A30-K32 PolarHBondContact O-N 3.41Å
31A32.9Very low34.9Very low99 Ų99160.7 Ų160.782%0.81882%0.823SS**  trans-52.8108.5175.800000112E29E29-A31 PolarHBondContact O-N 2.78Å
32K34.7Very low34.9Very low203 Ų203160.6 Ų160.688%0.88382%0.822SS**  trans-82.2111.7158.1-80.7-179.2177.5175.90107.8A30 D34A30-K32 PolarHBondContact O-N 3.41Å; K32-D34 PolarHBondContact O-N 3.41Å
33R34.3Very low35Very low231 Ų231159.7 Ų159.787%0.87282%0.824SS**  trans-77.4114.1160.6-79.8-178.5177.9157.6-0.9107.7
34D34.5Very low34.7Very low145 Ų145153.6 Ų153.678%0.77582%0.819SS**  trans-9288.4174.2-154.914.1000107.5K32 R36K32-D34 PolarHBondContact O-N 3.41Å; D34-R36 PolarHBondContact O-N 3.34Å
35D33.8Very low34.2Very low143 Ų143152.1 Ų152.177%0.76583%0.825SS**  trans-79.876.8173.6-89.3-30.8000109.2R37D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.03Å; D35-R37 VanDerWaalsContact O-N 3.17Å
36R37Very low34Very low226 Ų226152.7 Ų152.785%0.85383%0.83SS**  trans-85.375.1169.6-152175.8-177.6-167-0.4108.9D34D34-R36 PolarHBondContact O-N 3.34Å
37R35Very low33.7Very low227 Ų227153.6 Ų153.686%0.85784%0.84SS**  trans-86.9109.7163.7-82.4-174178.4-177.5-0.6109.3D35 L39D35-R37 VanDerWaalsContact C-N 3.3Å; D35-R37 PolarHBondContact O-N 3.03Å; D35-R37 VanDerWaalsContact O-N 3.17Å; R37-L39 PolarHBondContact O-N 3.32Å
38S35.3Very low33.5Very low119 Ų119149.4 Ų149.483%0.83284%0.837SS**  trans-44.4114.5168.111.90000111.9
39L33.5Very low33.4Very low175 Ų175144.4 Ų144.492%0.91683%0.834SS**  trans-90.9111.3162.5-80.4167.8000108.2R37R37-L39 PolarHBondContact O-N 3.32Å
40Q31.6Very low33Very low184 Ų184145.2 Ų145.286%0.8684%0.838SS**  trans-72.2130.1172.9-170158-3.400109
41E33Very low32.9Very low186 Ų186149.4 Ų149.487%0.86984%0.843SS**  trans-60.7134.6177.5-64179.8152.800111.7
42L30.1Very low32.9Very low167 Ų167153.6 Ų153.687%0.87485%0.845SS**  trans-136.1140.2156.3-78.8174000109.1
43P38.5Very low32.9Very low127 Ų127149.4 Ų149.483%0.82584%0.837SS**  trans-94152.8-172.736.8-32.4000112.1
44G30Very low33.2Very low77 Ų77143 Ų14379%0.79483%0.827SS**  trans141.997.715400000116.8
45G28.7Very low33.6Very low87 Ų87142.5 Ų142.590%0.89783%0.829SS**  82.7123.2123.700000120.4
46G28.9Very low34.7Very low84 Ų84139.1 Ų139.187%0.86681%0.813SS**  trans121.7107.9148.600000114
47G29.2Very low35.6Very low82 Ų82132.7 Ų132.785%0.84581%0.808SS**  trans-85.5164.2-171.300000115.6
48A30.6Very low36.8Very low94 Ų94125.4 Ų125.478%0.77779%0.786SS**  trans175.6137.4137.700000109.6
49S33.5Very low38.1Very low116 Ų116124.6 Ų124.681%0.81177%0.773SS**  trans60.691169.558.90000117.7E51S49-E51 PolarHBondContact O-N 3.12Å; S49-E51 VanDerWaalsContact O-N 3.07Å
50E31.5Very low39.6Very low191 Ų191120.1 Ų120.189%0.89375%0.753SS**  trans-6394.6157.3-68.7173160.200109.6
51E34.7Very low41.4Very low174 Ų174113.8 Ų113.881%0.81373%0.725SS**  trans-83.3102.1145.2-81.1-170.3164.900106.3S49 V53S49-E51 PolarHBondContact O-N 3.12Å; S49-E51 VanDerWaalsContact O-N 3.07Å; E51-V53 VanDerWaalsContact C-N 3.27Å; E51-V53 PolarHBondContact O-N 3.15Å
52E32.8Very low43.1Very low187 Ų187117.8 Ų117.887%0.87473%0.732SS**  trans-57.392.5167.5-81.6-169.1144.200109.2S54E52-S54 VanDerWaalsContact C-N 3.25Å; E52-S54 PolarHBondContact O-N 2.87Å
53V35.1Very low45Very low116 Ų116113.7 Ų113.770%0.70372%0.717SS**  trans-74.291.3163.7-172.30000106.1E51 V55E51-V53 VanDerWaalsContact C-N 3.27Å; E51-V53 PolarHBondContact O-N 3.15Å; V53-V55 VanDerWaalsContact O-CG2 3.28Å; V53-V55 WeakPolarHBondContact O-CG2 3.29Å; V53-V55 PolarHBondContact O-N 3.49Å
54S40.5Very low46.2Very low97 Ų97110.5 Ų110.568%0.67871%0.707SS**  trans-50.9101.3166164.20000108.9E52 V56E52-S54 VanDerWaalsContact C-N 3.25Å; E52-S54 PolarHBondContact O-N 2.87Å; S54-V56 VanDerWaalsContact C-N 3.28Å; S54-V56 PolarHBondContact O-N 3.5Å; S54-V56 VanDerWaalsContact O-N 3.08Å
55V43.1Very low47.8Very low133 Ų133115.7 Ų115.781%0.80670%0.703SS**  trans-81.386.2172.6-151.50000105.5V53 A57V53-V55 VanDerWaalsContact O-CG2 3.28Å; V53-V55 WeakPolarHBondContact O-CG2 3.29Å; V53-V55 PolarHBondContact O-N 3.49Å; V55-A57 PolarHBondContact O-N 2.82Å
56V56.1Low49.6Very low72 Ų72114.8 Ų114.844%0.43668%0.677SS.*  trans-55.2115.2176.2-177.50000107.8S54 L58S54-V56 VanDerWaalsContact C-N 3.28Å; S54-V56 PolarHBondContact O-N 3.5Å; S54-V56 VanDerWaalsContact O-N 3.08Å; V56-L58 HydrophobicContact CG1-CD2 4.49Å; V56-L58 PolarHBondContact O-N 3.34Å
57A56Low51.3Low91 Ų91115.3 Ų115.375%0.75266%0.655SS**  trans-64.9104.7176.100000108.3V55 N59V55-A57 PolarHBondContact O-N 2.82Å; A57-N59 PolarHBondContact O-N 3Å
58L60Low53.3Low74 Ų74116.3 Ų116.339%0.38764%0.641SS.*  trans-83.5112.7-177.4-71.8175.5000109.8V56 T60 L66 L80V56-L58 HydrophobicContact CG1-CD2 4.49Å; V56-L58 PolarHBondContact O-N 3.34Å; L58-T60 PolarHBondContact O-N 3.33Å; L58-L66 HydrophobicContact CB-CD2 3.54Å; L58-L66 HydrophobicContact CD1-CD2 3.94Å; L58-L66 HydrophobicContact CD2-CD2 4.3Å; L58-L66 HydrophobicContact CG-CD2 4.13Å; L58-L80 HydrophobicContact CD1-CD1 4.17Å
59N62.7Low55.1Low103 Ų103117.7 Ų117.755%0.55163%0.631SS**  trans-66.2124.8175.3-83.7-22.7000110.5A57 L66 K67A57-N59 PolarHBondContact O-N 3Å; N59-L66 WeakPolarHBondContact O-CA 3.48Å; N59-K67 HydrophobicContact CB-CB 4.49Å; N59-K67 PolarHBondContact O-N 2.88Å
60T64.5Low57.1Low81 Ų81115.7 Ų115.750%0.49761%0.614SS.*BIsolated β-bridgetrans-112.2146.1175.449.70000110.7L58 R65 L66L58-T60 PolarHBondContact O-N 3.33Å; T60-R65 CarbonylContact C-O 3.52Å; T60-R65 VanDerWaalsContact CA-O 3.25Å; T60-R65 WeakPolarHBondContact CA-O 3.36Å; T60-L66 HydrophobicContact CG2-CD2 3.96Å
61D69.1Low59.1Low51 Ų51112.4 Ų112.427%0.27361%0.607SS.*  trans-78174.1171.569.216.4000111.3S63 G64 R65 K67D61-S63 PolarHBondContact O-N 3.38Å; D61-S63 VanDerWaalsContact OD1-CA 3.26Å; D61-S63 WeakPolarHBondContact OD1-CA 3.3Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.04Å; D61-S63 PolarHBondContact OD2-OG 3.45Å; D61-S63 VanDerWaalsContact OD2-OG 3.14Å; D61-G64 PolarHBondContact O-N 2.96Å; D61-G64 PolarHBondContact OD1-N 2.91Å; D61-G64 VanDerWaalsContact OD1-N 3.09Å; D61-R65 PolarHBondContact N-O 2.88Å; D61-R65 PolarHBondContact OD1-N 3.28Å; D61-K67 HydrophobicContact CB-CD 4.33Å; D61-K67 HydrophobicContact CB-CG 3.76Å
62R68.5Low61.2Low269 Ų269109.5 Ų109.5100%1.01560%0.597SS**THydrogen-bonded Turntrans-61.9-11.6178.2-66.6-176178.4-175.2-0.3113.4
63S70.5Confident63.1Low82 Ų82102.4 Ų102.457%0.57357%0.565SS**THydrogen-bonded Turntrans-95.42.3175800000113.3D61 R65D61-S63 PolarHBondContact O-N 3.38Å; D61-S63 VanDerWaalsContact OD1-CA 3.26Å; D61-S63 WeakPolarHBondContact OD1-CA 3.3Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.04Å; D61-S63 PolarHBondContact OD2-OG 3.45Å; D61-S63 VanDerWaalsContact OD2-OG 3.14Å; S63-R65 VanDerWaalsContact C-N 3.27Å; S63-R65 PolarHBondContact O-N 3.3Å; S63-R65 WeakPolarHBondContact OG-CG 3.42Å
64G64.6Low65.2Low59 Ų59101 Ų10161%0.60855%0.554SS**SBendtrans75.112.8-177.800000113.9D61D61-G64 PolarHBondContact O-N 2.96Å; D61-G64 PolarHBondContact OD1-N 2.91Å; D61-G64 VanDerWaalsContact OD1-N 3.09Å
65R63.5Low67.1Low186 Ų186102 Ų10270%0.70255%0.546SS*.PPolyproline II helixtrans-90.3144.7174.5-65.2179.8-180-167.42.2109.7T60 D61 S63 K67T60-R65 CarbonylContact C-O 3.52Å; T60-R65 VanDerWaalsContact CA-O 3.25Å; T60-R65 WeakPolarHBondContact CA-O 3.36Å; D61-R65 PolarHBondContact N-O 2.88Å; D61-R65 PolarHBondContact OD1-N 3.28Å; S63-R65 VanDerWaalsContact C-N 3.27Å; S63-R65 PolarHBondContact O-N 3.3Å; S63-R65 WeakPolarHBondContact OG-CG 3.42Å; R65-K67 PolarHBondContact O-N 2.94Å
66L66.5Low68.9Low68 Ų6898 Ų9836%0.35652%0.52SS..BIsolated β-bridgetrans-62.5124.4176.2-66.7170.9000109.5L58 N59 T60 L68 I77L58-L66 HydrophobicContact CB-CD2 3.54Å; L58-L66 HydrophobicContact CD1-CD2 3.94Å; L58-L66 HydrophobicContact CD2-CD2 4.3Å; L58-L66 HydrophobicContact CG-CD2 4.13Å; N59-L66 WeakPolarHBondContact O-CA 3.48Å; T60-L66 HydrophobicContact CG2-CD2 3.96Å; L66-L68 PolarHBondContact O-N 3.5Å; L66-I77 HydrophobicContact CB-CD1 4.29Å; L66-I77 HydrophobicContact CD1-CD1 3.96Å; L66-I77 HydrophobicContact CD1-CG1 3.93Å
67K65.3Low70.1Confident95 Ų9596.4 Ų96.441%0.41351%0.508SS..PPolyproline II helixtrans-74.6119.5171.7-75.1-176.9172.3-172.50108.1N59 D61 R65 E69N59-K67 HydrophobicContact CB-CB 4.49Å; N59-K67 PolarHBondContact O-N 2.88Å; D61-K67 HydrophobicContact CB-CD 4.33Å; D61-K67 HydrophobicContact CB-CG 3.76Å; R65-K67 PolarHBondContact O-N 2.94Å; K67-E69 HydrophobicContact CB-CG 4.16Å; K67-E69 WeakPolarHBondContact CD-OE1 2.96Å; K67-E69 IonicContact NZ-OE1 2.65Å; K67-E69 PolarHBondContact O-N 3.41Å
68L69.9Low71.3Confident104 Ų10496.7 Ų96.755%0.54550%0.497SS..  trans-90.194.2172.7-74.9171.2000107.6L66 D73 L74 I77L66-L68 PolarHBondContact O-N 3.5Å; L68-D73 HydrophobicContact CD2-CB 3.65Å; L68-L74 HydrophobicContact CD2-CB 4.41Å; L68-I77 HydrophobicContact CD1-CD1 4.43Å; L68-I77 HydrophobicContact CD2-CD1 3.46Å; L68-I77 VanDerWaalsContact CD2-CD1 3.46Å; L68-I77 HydrophobicContact CG-CD1 4.11Å
69E69.6Low72.4Confident123 Ų12396.5 Ų96.558%0.57549%0.494SS*.  trans-101.9-24-179.4-66179.5177.300111.1K67 D73K67-E69 HydrophobicContact CB-CG 4.16Å; K67-E69 WeakPolarHBondContact CD-OE1 2.96Å; K67-E69 IonicContact NZ-OE1 2.65Å; K67-E69 PolarHBondContact O-N 3.41Å; E69-D73 PolarHBondContact N-OD2 3.33Å
70T74.4Confident73.2Confident73 Ų7394.7 Ų94.745%0.44848%0.484SS..SBendtrans-135.6162.8-176.666.20000113D72 D73T70-D72 PolarHBondContact O-N 2.7Å; T70-D73 PolarHBondContact N-OD2 3.24Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 2.72Å; T70-D73 VanDerWaalsContact OG1-CG 3.25Å; T70-D73 PolarHBondContact OG1-N 2.88Å; T70-D73 PolarHBondContact OG1-OD2 3.26Å
71V73.7Confident74Confident123 Ų12399.4 Ų99.475%0.74549%0.493SS*.Hα-helixtrans-63.9-28.5174.7-178.70000111.3D73 L74 F75V71-D73 VanDerWaalsContact C-N 3.34Å; V71-D73 PolarHBondContact O-N 2.95Å; V71-L74 WeakPolarHBondContact O-CB 3.48Å; V71-L74 PolarHBondContact O-N 3.3Å; V71-F75 PolarHBondContact O-N 2.77Å; V71-F75 VanDerWaalsContact O-N 3.11Å
72D78.1Confident74.6Confident112 Ų112102.7 Ų102.760%0.59950%0.504SS*.Hα-helixtrans-65.6-35.8176.2-66.4-38000112.1T70 L74 F75 N76T70-D72 PolarHBondContact O-N 2.7Å; D72-L74 VanDerWaalsContact C-N 3.31Å; D72-L74 PolarHBondContact O-N 3.39Å; D72-F75 PolarHBondContact O-N 2.89Å; D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 VanDerWaalsContact O-CG 3.25Å; D72-N76 PolarHBondContact O-N 3.4Å; D72-N76 PolarHBondContact O-ND2 2.97Å; D72-N76 VanDerWaalsContact O-ND2 3.16Å
73D74.6Confident75.1Confident38 Ų3897 Ų9720%0.20348%0.483CS..Hα-helixtrans-62.3-40.3175-60.6-43.1000111.4L68 E69 T70 V71 N76 I77L68-D73 HydrophobicContact CD2-CB 3.65Å; E69-D73 PolarHBondContact N-OD2 3.33Å; T70-D73 PolarHBondContact N-OD2 3.24Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 2.72Å; T70-D73 VanDerWaalsContact OG1-CG 3.25Å; T70-D73 PolarHBondContact OG1-N 2.88Å; T70-D73 PolarHBondContact OG1-OD2 3.26Å; V71-D73 VanDerWaalsContact C-N 3.34Å; V71-D73 PolarHBondContact O-N 2.95Å; D73-N76 PolarHBondContact O-N 3.34Å; D73-I77 WeakPolarHBondContact O-CG1 3.3Å; D73-I77 PolarHBondContact O-N 3.35Å
74L77.5Confident75.4Confident88 Ų88102.2 Ų102.246%0.46149%0.49SS..Hα-helixtrans-65.5-42.9176.4-179.362.6000111.3L68 V71 D72 N76 I77 L78L68-L74 HydrophobicContact CD2-CB 4.41Å; V71-L74 WeakPolarHBondContact O-CB 3.48Å; V71-L74 PolarHBondContact O-N 3.3Å; D72-L74 VanDerWaalsContact C-N 3.31Å; D72-L74 PolarHBondContact O-N 3.39Å; L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 3.19Å; L74-I77 PolarHBondContact O-N 2.88Å; L74-L78 HydrophobicContact CG-CD1 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.18Å
75F81Confident75.8Confident118 Ų118107.3 Ų107.352%0.51850%0.495SS..Hα-helixtrans-60.7-44.5175.8-172.8-99.1000111.2V71 D72 I77 L78 Q79V71-F75 PolarHBondContact O-N 2.77Å; V71-F75 VanDerWaalsContact O-N 3.11Å; D72-F75 PolarHBondContact O-N 2.89Å; F75-I77 PolarHBondContact O-N 3.44Å; F75-L78 PolarHBondContact O-N 2.88Å; F75-Q79 HydrophobicContact CD1-CG 4.15Å; F75-Q79 HydrophobicContact CE1-CG 3.86Å; F75-Q79 HydrophobicContact CZ-CG 4.23Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.07Å
76N80.6Confident76.3Confident48 Ų48102.8 Ų102.826%0.25748%0.482SS..Hα-helixtrans-60.4-42.8176.1-73.4-32.2000112.2D72 D73 L74 L78 Q79 L80D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 VanDerWaalsContact O-CG 3.25Å; D72-N76 PolarHBondContact O-N 3.4Å; D72-N76 PolarHBondContact O-ND2 2.97Å; D72-N76 VanDerWaalsContact O-ND2 3.16Å; D73-N76 PolarHBondContact O-N 3.34Å; L74-N76 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 3.19Å; N76-L78 PolarHBondContact O-N 2.99Å; N76-Q79 PolarHBondContact O-N 3.16Å; N76-L80 WeakPolarHBondContact O-CB 3.3Å; N76-L80 VanDerWaalsContact O-CG 3.27Å; N76-L80 WeakPolarHBondContact O-CG 3.28Å; N76-L80 PolarHBondContact O-N 3.37Å
77I81.2Confident76.4Confident38 Ų38108.3 Ų108.320%0.19550%0.498CS..Hα-helixtrans-63.5-41176.3-70.6178.4000111.8L66 L68 D73 L74 F75 L80 R81L66-I77 HydrophobicContact CB-CD1 4.29Å; L66-I77 HydrophobicContact CD1-CD1 3.96Å; L66-I77 HydrophobicContact CD1-CG1 3.93Å; L68-I77 HydrophobicContact CD1-CD1 4.43Å; L68-I77 HydrophobicContact CD2-CD1 3.46Å; L68-I77 VanDerWaalsContact CD2-CD1 3.46Å; L68-I77 HydrophobicContact CG-CD1 4.11Å; D73-I77 WeakPolarHBondContact O-CG1 3.3Å; D73-I77 PolarHBondContact O-N 3.35Å; L74-I77 PolarHBondContact O-N 2.88Å; F75-I77 PolarHBondContact O-N 3.44Å; I77-L80 PolarHBondContact O-N 3.22Å; I77-R81 PolarHBondContact O-N 3.42Å
78L81.8Confident76.1Confident98 Ų98111.1 Ų111.151%0.51351%0.51SS..Hα-helixtrans-65-42.4177.7-72.3173.4000111.5L74 F75 N76 R81 K82L74-L78 HydrophobicContact CG-CD1 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.18Å; F75-L78 PolarHBondContact O-N 2.88Å; N76-L78 PolarHBondContact O-N 2.99Å; L78-R81 PolarHBondContact O-N 3.42Å; L78-K82 WeakPolarHBondContact O-CB 3.38Å; L78-K82 PolarHBondContact O-N 2.98Å
79Q82.3Confident75.4Confident69 Ų69109.4 Ų109.432%0.32251%0.508SS..Hα-helixtrans-63.4-41.6174.2-67.9-62.1-16.500111.8F75 N76 R81 K82 R83F75-Q79 HydrophobicContact CD1-CG 4.15Å; F75-Q79 HydrophobicContact CE1-CG 3.86Å; F75-Q79 HydrophobicContact CZ-CG 4.23Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.07Å; N76-Q79 PolarHBondContact O-N 3.16Å; Q79-R81 PolarHBondContact O-N 2.84Å; Q79-K82 PolarHBondContact O-N 3.32Å; Q79-R83 WeakPolarHBondContact O-CB 3.49Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 2.97Å
80L79.2Confident74.6Confident65 Ų65106.4 Ų106.434%0.3450%0.5SS..Hα-helixtrans-63.6-39.4175.5-74.9168.5000112.4L58 N76 I77 R84L58-L80 HydrophobicContact CD1-CD1 4.17Å; N76-L80 WeakPolarHBondContact O-CB 3.3Å; N76-L80 VanDerWaalsContact O-CG 3.27Å; N76-L80 WeakPolarHBondContact O-CG 3.28Å; N76-L80 PolarHBondContact O-N 3.37Å; I77-L80 PolarHBondContact O-N 3.22Å; L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 VanDerWaalsContact O-CG 3.3Å; L80-R84 WeakPolarHBondContact O-CG 2.89Å; L80-R84 PolarHBondContact O-N 2.8Å
81R81.6Confident73.4Confident181 Ų181108.8 Ų108.868%0.68351%0.514SS*.Hα-helixtrans-66.6-42.5174.8-81.2-174.6163.5-175.7-3.4112I77 L78 Q79 R84 K85I77-R81 PolarHBondContact O-N 3.42Å; L78-R81 PolarHBondContact O-N 3.42Å; Q79-R81 PolarHBondContact O-N 2.84Å; R81-R84 PolarHBondContact O-N 3.46Å; R81-K85 WeakPolarHBondContact O-CB 3.38Å; R81-K85 PolarHBondContact O-N 2.95Å
82K81.7Confident72.4Confident120 Ų120110.7 Ų110.752%0.52251%0.513SS..Hα-helixtrans-60.8-50.1174.7-172.7178.6175.7-175.60110.6L78 Q79 R84 K85 E86L78-K82 WeakPolarHBondContact O-CB 3.38Å; L78-K82 PolarHBondContact O-N 2.98Å; Q79-K82 PolarHBondContact O-N 3.32Å; K82-R84 PolarHBondContact O-N 3.17Å; K82-K85 WeakPolarHBondContact O-CB 3.37Å; K82-K85 PolarHBondContact O-N 3.26Å; K82-K85 VanDerWaalsContact O-N 3.13Å; K82-E86 WeakPolarHBondContact CE-OE1 3.48Å; K82-E86 WeakPolarHBondContact CG-OE1 3.23Å; K82-E86 WeakPolarHBondContact O-CB 3.38Å; K82-E86 WeakPolarHBondContact O-CG 3.34Å; K82-E86 PolarHBondContact O-N 3.34Å
83R80.2Confident70.9Confident150 Ų150113.2 Ų113.257%0.56652%0.518SS*.Hα-helixtrans-60.7-38.3174.8-73.6178178.9-176.6-0.6113.2Q79 E86 R87Q79-R83 WeakPolarHBondContact O-CB 3.49Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 2.97Å; R83-E86 PolarHBondContact O-N 3.31Å; R83-R87 VanDerWaalsContact O-CB 3.28Å; R83-R87 WeakPolarHBondContact O-CB 3.31Å; R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.32Å; R83-R87 PolarHBondContact O-N 3.25Å
84R76.5Confident69.5Low190 Ų190120.6 Ų120.672%0.71755%0.548SS*.Hα-helixtrans-67.4-39.5174.3-79.9179.8-178.3-175.22.2111.7L80 R81 K82 K88L80-R84 WeakPolarHBondContact O-CB 3.36Å; L80-R84 VanDerWaalsContact O-CG 3.3Å; L80-R84 WeakPolarHBondContact O-CG 2.89Å; L80-R84 PolarHBondContact O-N 2.8Å; R81-R84 PolarHBondContact O-N 3.46Å; K82-R84 PolarHBondContact O-N 3.17Å; R84-K88 WeakPolarHBondContact O-CB 3.4Å; R84-K88 PolarHBondContact O-N 3.16Å
85K73.6Confident68Low166 Ų166122.6 Ų122.672%0.72257%0.565SS**Hα-helixtrans-65.4-42.1174.5-170.8178.3179.9-178.10110.8R81 K82 K88 S89R81-K85 WeakPolarHBondContact O-CB 3.38Å; R81-K85 PolarHBondContact O-N 2.95Å; K82-K85 WeakPolarHBondContact O-CB 3.37Å; K82-K85 PolarHBondContact O-N 3.26Å; K82-K85 VanDerWaalsContact O-N 3.13Å; K85-K88 PolarHBondContact O-N 3.12Å; K85-S89 WeakPolarHBondContact O-CB 3.38Å; K85-S89 PolarHBondContact O-N 2.87Å; K85-S89 PolarHBondContact O-OG 3.06Å
86E72.9Confident66.3Low92 Ų92125.4 Ų125.443%0.4358%0.579SS.*Hα-helixtrans-67.2-46.7177-74.3167.617700112K82 R83 K88 S89 S90K82-E86 WeakPolarHBondContact CE-OE1 3.48Å; K82-E86 WeakPolarHBondContact CG-OE1 3.23Å; K82-E86 WeakPolarHBondContact O-CB 3.38Å; K82-E86 WeakPolarHBondContact O-CG 3.34Å; K82-E86 PolarHBondContact O-N 3.34Å; R83-E86 PolarHBondContact O-N 3.31Å; E86-K88 PolarHBondContact O-N 3.11Å; E86-S89 VanDerWaalsContact CA-OG 3.26Å; E86-S89 WeakPolarHBondContact CA-OG 3.44Å; E86-S89 CarbonylContact O-C 3.49Å; E86-S89 PolarHBondContact O-N 3.15Å; E86-S89 VanDerWaalsContact O-N 3.15Å; E86-S89 PolarHBondContact O-OG 2.7Å; E86-S90 WeakPolarHBondContact O-CB 3.5Å; E86-S90 PolarHBondContact O-N 2.82Å
87R68.1Low65.1Low183 Ų183128 Ų12869%0.69160%0.599SS**Hα-helixtrans-62-41.8172.5-76.7-179.2179.3-177.1-0.2111.8R83 S89 S90 V91R83-R87 VanDerWaalsContact O-CB 3.28Å; R83-R87 WeakPolarHBondContact O-CB 3.31Å; R83-R87 VanDerWaalsContact O-CG 3.31Å; R83-R87 WeakPolarHBondContact O-CG 3.32Å; R83-R87 PolarHBondContact O-N 3.25Å; R87-S89 VanDerWaalsContact C-N 3.3Å; R87-S89 PolarHBondContact O-N 3.31Å; R87-S90 PolarHBondContact O-N 3.36Å; R87-S90 PolarHBondContact O-OG 2.74Å; R87-V91 WeakPolarHBondContact O-CB 3.4Å; R87-V91 VanDerWaalsContact O-CG2 3.23Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 3.28Å
88K60.6Low63.8Low154 Ų154134.3 Ų134.367%0.6763%0.628SS**Hα-helixtrans-62.3-41.6174-160.8171.8-174.7-179.40110.1R84 K85 E86 F92R84-K88 WeakPolarHBondContact O-CB 3.4Å; R84-K88 PolarHBondContact O-N 3.16Å; K85-K88 PolarHBondContact O-N 3.12Å; E86-K88 PolarHBondContact O-N 3.11Å; K88-F92 VanDerWaalsContact O-CD2 3.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.09Å; K88-F92 PolarHBondContact O-N 3.44Å
89S53.4Low62.7Low69 Ų69135.2 Ų135.248%0.48364%0.639SS.*Hα-helixtrans-71.3-26.9174.869.20000114.4K85 E86 R87 F92 K93K85-S89 WeakPolarHBondContact O-CB 3.38Å; K85-S89 PolarHBondContact O-N 2.87Å; K85-S89 PolarHBondContact O-OG 3.06Å; E86-S89 VanDerWaalsContact CA-OG 3.26Å; E86-S89 WeakPolarHBondContact CA-OG 3.44Å; E86-S89 CarbonylContact O-C 3.49Å; E86-S89 PolarHBondContact O-N 3.15Å; E86-S89 VanDerWaalsContact O-N 3.15Å; E86-S89 PolarHBondContact O-OG 2.7Å; R87-S89 VanDerWaalsContact C-N 3.3Å; R87-S89 PolarHBondContact O-N 3.31Å; S89-F92 CarbonylContact O-C 3.44Å; S89-F92 VanDerWaalsContact O-C 3.24Å; S89-F92 PolarHBondContact O-N 3.28Å; S89-K93 PolarHBondContact O-N 3.35Å
90S53.1Low61.7Low60 Ų60136.7 Ų136.742%0.4265%0.646SS.*Hα-helixtrans-83.3-30178.384.40000112.2E86 R87 F92 K93E86-S90 WeakPolarHBondContact O-CB 3.5Å; E86-S90 PolarHBondContact O-N 2.82Å; R87-S90 PolarHBondContact O-N 3.36Å; R87-S90 PolarHBondContact O-OG 2.74Å; S90-F92 PolarHBondContact O-N 3.25Å; S90-K93 WeakPolarHBondContact O-CB 3.23Å; S90-K93 PolarHBondContact O-N 3.24Å
91V50.8Low61.3Low122 Ų122139.7 Ų139.774%0.73967%0.667SS**Hα-helixtrans-65.1-24.9165.3174.50000110.4R87R87-V91 WeakPolarHBondContact O-CB 3.4Å; R87-V91 VanDerWaalsContact O-CG2 3.23Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 3.28Å
92F50.8Low61Low164 Ų164134.1 Ų134.172%0.71965%0.653SS**THydrogen-bonded Turntrans-93.66.5168.2-80.7-75.8000114.2K88 S89 S90 K94K88-F92 VanDerWaalsContact O-CD2 3.25Å; K88-F92 WeakPolarHBondContact O-CD2 3.09Å; K88-F92 PolarHBondContact O-N 3.44Å; S89-F92 CarbonylContact O-C 3.44Å; S89-F92 VanDerWaalsContact O-C 3.24Å; S89-F92 PolarHBondContact O-N 3.28Å; S90-F92 PolarHBondContact O-N 3.25Å; F92-K94 VanDerWaalsContact C-N 3.28Å; F92-K94 PolarHBondContact O-N 2.93Å
93K48.3Very low60.9Low165 Ų165130.8 Ų130.872%0.71764%0.644SS**SBendtrans-71.796.6164.8-85-177.8176-174.70106.8S89 S90 T95S89-K93 PolarHBondContact O-N 3.35Å; S90-K93 WeakPolarHBondContact O-CB 3.23Å; S90-K93 PolarHBondContact O-N 3.24Å; K93-T95 PolarHBondContact O-N 3.26Å
94K45Very low60.9Low192 Ų192132 Ų13284%0.83566%0.656SS**  trans-22.2106.8158-133.4175.5-177.9-176.60109.6F92 E96F92-K94 VanDerWaalsContact C-N 3.28Å; F92-K94 PolarHBondContact O-N 2.93Å; K94-E96 PolarHBondContact O-N 3.26Å
95T45.8Very low61.3Low130 Ų130128.5 Ų128.580%0.79866%0.656SS**PPolyproline II helixtrans-49.6123.5157.6-26.70000105.7K93K93-T95 PolarHBondContact O-N 3.26Å
96E45.9Very low62Low177 Ų177121.6 Ų121.683%0.82763%0.627SS**PPolyproline II helixtrans-54.6124.8173.4-75.8179.9162.100107.4K94 E98K94-E96 PolarHBondContact O-N 3.26Å; E96-E98 PolarHBondContact O-N 2.77Å; E96-E98 VanDerWaalsContact O-N 3.16Å
97P54.4Low63Low102 Ų102121.8 Ų121.866%0.66263%0.631SS**PPolyproline II helixtrans-63.4123.3179.725.1-30.4000107.4
98E54.2Low64.3Low172 Ų172117.9 Ų117.980%0.80462%0.621SS**  trans-46142.3163-69.7-177.5162.600108.5E96 E100E96-E98 PolarHBondContact O-N 2.77Å; E96-E98 VanDerWaalsContact O-N 3.16Å; E98-E100 PolarHBondContact O-N 3.09Å
99P57.3Low65.9Low117 Ų117116.6 Ų116.676%0.7662%0.617SS**  trans-54.8111.6-177.121.6-31.7000109.2T101P99-T101 VanDerWaalsContact C-N 3.31Å; P99-T101 PolarHBondContact O-N 2.81Å
100E63Low67.8Low100 Ų100116.3 Ų116.347%0.46761%0.61SS.*  trans-63.295.1177.8-79.4-175.3158.300107.8E98 V102 P121E98-E100 PolarHBondContact O-N 3.09Å; E100-V102 PolarHBondContact O-N 2.81Å; E100-V102 VanDerWaalsContact O-N 3.09Å; E100-P121 WeakPolarHBondContact OE2-CD 3.09Å; E100-P121 WeakPolarHBondContact OE2-CG 3.37Å
101T70.6Confident69.9Low128 Ų128113.4 Ų113.479%0.78559%0.59SS**  trans-69.3107.1173.645.80000107.3P99 P103P99-T101 VanDerWaalsContact C-N 3.31Å; P99-T101 PolarHBondContact O-N 2.81Å; T101-P103 VanDerWaalsContact O-CD 3.31Å; T101-P103 WeakPolarHBondContact O-CD 3.28Å
102V75.4Confident72.1Confident64 Ų64108 Ų10839%0.38856%0.557SS.*  trans-74.4119.5178-171.10000107.8E100 P121 V122 K125E100-V102 PolarHBondContact O-N 2.81Å; E100-V102 VanDerWaalsContact O-N 3.09Å; V102-P121 HydrophobicContact CG2-CB 3.95Å; V102-V122 HydrophobicContact CG1-CG2 4.49Å; V102-K125 HydrophobicContact CG1-CB 4.05Å; V102-K125 HydrophobicContact CG1-CD 3.32Å; V102-K125 HydrophobicContact CG1-CG 4.3Å
103P79.7Confident74.3Confident49 Ų49102.5 Ų102.532%0.31854%0.537SS..  trans-60.2145.6178.1-2234.1000111.3T101 T105 L110 K125T101-P103 VanDerWaalsContact O-CD 3.31Å; T101-P103 WeakPolarHBondContact O-CD 3.28Å; P103-T105 VanDerWaalsContact C-N 3.34Å; P103-T105 PolarHBondContact O-N 2.97Å; P103-L110 HydrophobicContact CB-CD2 4.36Å; P103-L110 HydrophobicContact CG-CD2 4.06Å; P103-K125 WeakPolarHBondContact O-CD 3.38Å; P103-K125 WeakPolarHBondContact O-CE 3.34Å
104E79.8Confident76.6Confident176 Ų17694.7 Ų94.782%0.82250%0.503SS*.SBendtrans-63.6-37.1-176.8-170.8172-172.700112.9K125E104-K125 WeakPolarHBondContact O-CE 3.24Å; E104-K125 PolarHBondContact O-NZ 3.49Å
105T84.4Confident79.1Confident117 Ų11785.6 Ų85.672%0.71846%0.463SS*.SBendtrans-126135.317358.30000109.8P103P103-T105 VanDerWaalsContact C-N 3.34Å; P103-T105 PolarHBondContact O-N 2.97Å
106V89Confident81.4Confident20 Ų2082.4 Ų82.412%0.12144%0.44CS..  trans-112.5116.7178.7-175.40000109L110 F111 V122 K125 Y126V106-L110 HydrophobicContact CG1-CB 4.24Å; V106-L110 HydrophobicContact CG1-CD2 4.22Å; V106-L110 HydrophobicContact CG1-CG 4.15Å; V106-F111 HydrophobicContact CG1-CB 4.03Å; V106-V122 HydrophobicContact CG1-CG1 3.9Å; V106-V122 HydrophobicContact CG2-CG1 3.91Å; V106-K125 HydrophobicContact CG2-CD 4.26Å; V106-Y126 HydrophobicContact CB-CD2 4.01Å; V106-Y126 HydrophobicContact CG1-CD2 3.88Å; V106-Y126 HydrophobicContact CG1-CG 4.3Å; V106-Y126 WeakPolarHBondContact O-CD2 3.47Å
107D93.6Very high83.8Confident96 Ų9679 Ų7951%0.51343%0.425SS..  trans-80.2167.5172.469.652.9000111.7Q109 L110 F111D107-Q109 VanDerWaalsContact C-N 3.28Å; D107-Q109 PolarHBondContact O-N 3.05Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.31Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.5Å; D107-Q109 PolarHBondContact OD1-N 3.34Å; D107-L110 PolarHBondContact O-N 3.34Å; D107-L110 WeakPolarHBondContact OD1-CB 3.41Å; D107-L110 PolarHBondContact OD1-N 3.41Å; D107-F111 VanDerWaalsContact O-CB 3.32Å; D107-F111 WeakPolarHBondContact O-CB 3.4Å; D107-F111 PolarHBondContact O-N 2.85Å
108E94.4Very high85.8Confident102 Ų10277.8 Ų77.848%0.47741%0.412SS..Hα-helixtrans-61.3-35.1-179-64.3-171.6176.400113.1F111 L112 A135E108-F111 WeakPolarHBondContact O-CB 3.4Å; E108-F111 PolarHBondContact O-N 3.39Å; E108-L112 WeakPolarHBondContact O-CB 3.44Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.25Å; E108-L112 PolarHBondContact O-N 3.49Å; E108-A135 HydrophobicContact CG-CB 4.3Å
109Q94.1Very high87.8Confident127 Ų12773.3 Ų73.359%0.59339%0.39SS*.Hα-helixtrans-72.7-41.5-177.7179.259.930.400111D107 L112 T113D107-Q109 VanDerWaalsContact C-N 3.28Å; D107-Q109 PolarHBondContact O-N 3.05Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.31Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.5Å; D107-Q109 PolarHBondContact OD1-N 3.34Å; Q109-L112 PolarHBondContact O-N 3.15Å; Q109-T113 WeakPolarHBondContact O-CB 3.45Å; Q109-T113 PolarHBondContact O-N 2.93Å; Q109-T113 PolarHBondContact O-OG1 3.19Å
110L94.8Very high89.7Confident62 Ų6269.7 Ų69.733%0.32536%0.364SS..Hα-helixtrans-65.9-41.1173.9-176.759.1000110.5P103 V106 D107 T113 A114P103-L110 HydrophobicContact CB-CD2 4.36Å; P103-L110 HydrophobicContact CG-CD2 4.06Å; V106-L110 HydrophobicContact CG1-CB 4.24Å; V106-L110 HydrophobicContact CG1-CD2 4.22Å; V106-L110 HydrophobicContact CG1-CG 4.15Å; D107-L110 PolarHBondContact O-N 3.34Å; D107-L110 WeakPolarHBondContact OD1-CB 3.41Å; D107-L110 PolarHBondContact OD1-N 3.41Å; L110-T113 PolarHBondContact O-N 2.86Å; L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.85Å
111F96.6Very high91.2Very high0 Ų067.1 Ų67.10%036%0.356CS..Hα-helixtrans-57.2-52.4171.8166.5-113.5000111.6V106 D107 E108 T113 A114 V115 V123 Y126 L127 A135 A143 L159V106-F111 HydrophobicContact CG1-CB 4.03Å; D107-F111 VanDerWaalsContact O-CB 3.32Å; D107-F111 WeakPolarHBondContact O-CB 3.4Å; D107-F111 PolarHBondContact O-N 2.85Å; E108-F111 WeakPolarHBondContact O-CB 3.4Å; E108-F111 PolarHBondContact O-N 3.39Å; F111-T113 PolarHBondContact O-N 3.31Å; F111-A114 PolarHBondContact O-N 2.82Å; F111-V115 HydrophobicContact CD2-CG2 4.32Å; F111-V115 HydrophobicContact CE2-CG2 4.07Å; F111-V115 HydrophobicContact CZ-CG2 4.29Å; F111-V115 VanDerWaalsContact O-CG2 3.31Å; F111-V115 WeakPolarHBondContact O-CG2 3.24Å; F111-V115 PolarHBondContact O-N 2.86Å; F111-V123 HydrophobicContact CE2-CB 4.49Å; F111-V123 HydrophobicContact CE2-CG1 4Å; F111-V123 HydrophobicContact CE2-CG2 4.48Å; F111-Y126 HydrophobicContact CB-CD1 4.09Å; F111-Y126 HydrophobicContact CB-CD2 3.81Å; F111-Y126 HydrophobicContact CB-CE1 4.32Å; F111-Y126 HydrophobicContact CB-CE2 4.06Å; F111-Y126 HydrophobicContact CB-CG 3.83Å; F111-Y126 AromaticContact CD1-CD1 3.88Å; F111-Y126 HydrophobicContact CD1-CD1 3.88Å; F111-Y126 AromaticContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CG 4.48Å; F111-Y126 AromaticContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD2 4.35Å; F111-Y126 AromaticContact CD2-CE1 3.9Å; F111-Y126 HydrophobicContact CD2-CE1 3.9Å; F111-Y126 AromaticContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CD2-CG 3.5Å; F111-Y126 VanDerWaalsContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CE1-CD1 4.03Å; F111-Y126 AromaticContact CE1-CE1 3.75Å; F111-Y126 HydrophobicContact CE1-CE1 3.75Å; F111-Y126 AromaticContact CE2-CD1 3.39Å; F111-Y126 HydrophobicContact CE2-CD1 3.39Å; F111-Y126 AromaticContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CG 4.1Å; F111-Y126 AromaticContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD1 3.47Å; F111-Y126 VanDerWaalsContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD2 4.12Å; F111-Y126 AromaticContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE2 4.32Å; F111-Y126 AromaticContact CG-CG 3.7Å; F111-Y126 HydrophobicContact CG-CG 3.7Å; F111-Y126 AromaticContact CZ-CD1 3.79Å; F111-Y126 HydrophobicContact CZ-CD1 3.79Å; F111-Y126 AromaticContact CZ-CE1 3.92Å; F111-Y126 HydrophobicContact CZ-CE1 3.92Å; F111-L127 HydrophobicContact CE2-CD2 4.39Å; F111-L127 HydrophobicContact CE2-CG 4.46Å; F111-L127 HydrophobicContact CZ-CD2 4.35Å; F111-A135 HydrophobicContact CD1-CB 4.19Å; F111-A135 HydrophobicContact CE1-CB 4.12Å; F111-A143 HydrophobicContact CE1-CB 3.56Å; F111-A143 HydrophobicContact CZ-CB 3.63Å; F111-L159 HydrophobicContact CE2-CD2 4.16Å; F111-L159 HydrophobicContact CZ-CD2 3.63Å
112L96.8Very high92.4Very high7 Ų761.5 Ų61.54%0.03732%0.322CS..Hα-helixtrans-63.5-30.9178.7-68.7173.9000112.7E108 Q109 M116 D137 A143 K146E108-L112 WeakPolarHBondContact O-CB 3.44Å; E108-L112 VanDerWaalsContact O-CG 3.23Å; E108-L112 WeakPolarHBondContact O-CG 3.25Å; E108-L112 PolarHBondContact O-N 3.49Å; Q109-L112 PolarHBondContact O-N 3.15Å; L112-M116 WeakPolarHBondContact O-CG 3.39Å; L112-M116 PolarHBondContact O-N 2.8Å; L112-D137 HydrophobicContact CD1-CB 4.17Å; L112-A143 HydrophobicContact CD2-CB 4.01Å; L112-K146 HydrophobicContact CB-CD 4.1Å; L112-K146 HydrophobicContact CD2-CD 3.94Å
113T96.4Very high93.3Very high49 Ų4958.5 Ų58.530%0.30130%0.303SS..Hα-helixtrans-73.3-45.3175.6-560000111Q109 L110 F111 V115 M116 E117Q109-T113 WeakPolarHBondContact O-CB 3.45Å; Q109-T113 PolarHBondContact O-N 2.93Å; Q109-T113 PolarHBondContact O-OG1 3.19Å; L110-T113 PolarHBondContact O-N 2.86Å; F111-T113 PolarHBondContact O-N 3.31Å; T113-V115 VanDerWaalsContact C-N 3.27Å; T113-V115 PolarHBondContact O-N 3.25Å; T113-M116 WeakPolarHBondContact O-CB 3.2Å; T113-M116 PolarHBondContact O-N 3.23Å; T113-E117 WeakPolarHBondContact O-CG 3.46Å; T113-E117 PolarHBondContact O-N 2.64Å
114A96.4Very high94.1Very high2 Ų259.5 Ų59.52%0.01730%0.304CS..Hα-helixtrans-57.6-41.1174.500000111.7L110 F111 M116 E117 N118 K119 V122 V123L110-A114 VanDerWaalsContact O-CB 3.25Å; L110-A114 WeakPolarHBondContact O-CB 3.28Å; L110-A114 PolarHBondContact O-N 2.85Å; F111-A114 PolarHBondContact O-N 2.82Å; A114-M116 VanDerWaalsContact C-N 3.34Å; A114-M116 PolarHBondContact O-N 2.96Å; A114-E117 CarbonylContact O-C 3.6Å; A114-E117 PolarHBondContact O-N 3.03Å; A114-N118 PolarHBondContact O-N 3.47Å; A114-K119 HydrophobicContact CB-CB 3.98Å; A114-K119 PolarHBondContact O-N 3.34Å; A114-V122 HydrophobicContact CB-CB 3.87Å; A114-V122 HydrophobicContact CB-CG1 3.7Å; A114-V123 HydrophobicContact CB-CG2 4.26Å
115V97.6Very high94.8Very high0 Ų053.6 Ų53.60%028%0.276CS..Hα-helixtrans-58.8-44.6172.7169.40000111.2F111 T113 E117 N118 V123 A143 K146 A147 H152 V155F111-V115 HydrophobicContact CD2-CG2 4.32Å; F111-V115 HydrophobicContact CE2-CG2 4.07Å; F111-V115 HydrophobicContact CZ-CG2 4.29Å; F111-V115 VanDerWaalsContact O-CG2 3.31Å; F111-V115 WeakPolarHBondContact O-CG2 3.24Å; F111-V115 PolarHBondContact O-N 2.86Å; T113-V115 VanDerWaalsContact C-N 3.27Å; T113-V115 PolarHBondContact O-N 3.25Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.91Å; V115-N118 PolarHBondContact O-N 3.11Å; V115-V123 HydrophobicContact CG2-CG2 3.62Å; V115-A143 HydrophobicContact CG1-CB 4.42Å; V115-A143 WeakPolarHBondContact CG1-O 3.33Å; V115-A143 HydrophobicContact CG2-CB 3.97Å; V115-K146 HydrophobicContact CG1-CB 4.01Å; V115-A147 HydrophobicContact CG1-CB 3.76Å; V115-H152 PolarHBondContact O-CD2 3.41Å; V115-V155 HydrophobicContact CB-CG1 4.41Å; V115-V155 HydrophobicContact CG1-CG1 4.01Å; V115-V155 HydrophobicContact CG2-CG1 4.1Å
116M95.9Very high95.4Very high64 Ų6448.8 Ų48.832%0.31524%0.244SC..Hα-helixtrans-67.2-33.4179.4-73.6-73.9-74.500113L112 T113 A114 K146 K150 H152L112-M116 WeakPolarHBondContact O-CG 3.39Å; L112-M116 PolarHBondContact O-N 2.8Å; T113-M116 WeakPolarHBondContact O-CB 3.2Å; T113-M116 PolarHBondContact O-N 3.23Å; A114-M116 VanDerWaalsContact C-N 3.34Å; A114-M116 PolarHBondContact O-N 2.96Å; M116-K146 HydrophobicContact CG-CB 4.03Å; M116-K146 HydrophobicContact CG-CD 3.98Å; M116-K146 HydrophobicContact CG-CG 4.23Å; M116-K146 HydrophobicContact SD-CB 3.55Å; M116-K146 VanDerWaalsContact SD-CB 3.55Å; M116-K146 HydrophobicContact SD-CD 4.27Å; M116-K146 HydrophobicContact SD-CG 3.85Å; M116-K150 HydrophobicContact CE-CG 4.41Å; M116-K150 HydrophobicContact SD-CG 3.97Å; M116-H152 PolarHBondContact O-NE2 3.1Å
117E96.1Very high95.7Very high106 Ų10649.2 Ų49.250%0.49525%0.246SC..Hα-helixtrans-87.4-2.3-179-67.2179.4177.400113.9T113 A114 V115 K119T113-E117 WeakPolarHBondContact O-CG 3.46Å; T113-E117 PolarHBondContact O-N 2.64Å; A114-E117 CarbonylContact O-C 3.6Å; A114-E117 PolarHBondContact O-N 3.03Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.91Å; E117-K119 HydrophobicContact CB-CD 4.28Å; E117-K119 HydrophobicContact CB-CG 4.18Å; E117-K119 WeakPolarHBondContact OE2-CE 3.47Å; E117-K119 IonicContact OE2-NZ 2.74Å; E117-K119 PolarHBondContact OE2-NZ 3.07Å
118N96.7Very high95.8Very high75 Ų7548.7 Ų48.740%0.40126%0.255SS..THydrogen-bonded Turntrans64.532-176.3-160.339.5000114.7A114 V115 L120 H152 V155A114-N118 PolarHBondContact O-N 3.47Å; V115-N118 PolarHBondContact O-N 3.11Å; N118-L120 PolarHBondContact O-N 3.48Å; N118-L120 VanDerWaalsContact O-N 3.09Å; N118-H152 WeakPolarHBondContact OD1-CB 3.48Å; N118-V155 WeakPolarHBondContact OD1-CG2 3.35Å
119K96.1Very high95.8Very high78 Ų7848.6 Ų48.634%0.33926%0.258SS..  trans-83.677.7177.5-69.9175.9171.1166.80110.9A114 E117 P121 V122 V123A114-K119 HydrophobicContact CB-CB 3.98Å; A114-K119 PolarHBondContact O-N 3.34Å; E117-K119 HydrophobicContact CB-CD 4.28Å; E117-K119 HydrophobicContact CB-CG 4.18Å; E117-K119 WeakPolarHBondContact OE2-CE 3.47Å; E117-K119 IonicContact OE2-NZ 2.74Å; E117-K119 PolarHBondContact OE2-NZ 3.07Å; K119-P121 VanDerWaalsContact C-CD 3.49Å; K119-V122 HydrophobicContact CB-CB 4.33Å; K119-V122 HydrophobicContact CB-CG2 4.2Å; K119-V122 PolarHBondContact O-N 3.39Å; K119-V123 WeakPolarHBondContact O-CG2 3.49Å; K119-V123 PolarHBondContact O-N 3.36Å
120L95.4Very high95.7Very high41 Ų4145.8 Ų45.822%0.21526%0.263CS..Hα-helixtrans-54.3-43.4-175.9-174.466.8000113.9N118 V122 V123 E124 E154 V155 R158N118-L120 PolarHBondContact O-N 3.48Å; N118-L120 VanDerWaalsContact O-N 3.09Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3.17Å; L120-V123 WeakPolarHBondContact O-CB 3.19Å; L120-V123 PolarHBondContact O-N 2.94Å; L120-V123 VanDerWaalsContact O-N 3.15Å; L120-E124 HydrophobicContact CD1-CG 4.17Å; L120-E124 HydrophobicContact CG-CG 4.21Å; L120-E124 PolarHBondContact O-N 2.96Å; L120-E154 HydrophobicContact CD1-CG 4.32Å; L120-E154 HydrophobicContact CD2-CG 3.69Å; L120-V155 HydrophobicContact CD1-CG2 3.97Å; L120-R158 HydrophobicContact CD1-CG 3.8Å
121P95.2Very high95.8Very high47 Ų4743.8 Ų43.831%0.30526%0.257SS..Hα-helixtrans-63-35.3-178.4-25.937.8000113.7E100 V102 K119 K125E100-P121 WeakPolarHBondContact OE2-CD 3.09Å; E100-P121 WeakPolarHBondContact OE2-CG 3.37Å; V102-P121 HydrophobicContact CG2-CB 3.95Å; K119-P121 VanDerWaalsContact C-CD 3.49Å; P121-K125 WeakPolarHBondContact O-CB 3.35Å; P121-K125 PolarHBondContact O-N 3.34Å
122V95.3Very high95.8Very high10 Ų1047.5 Ų47.56%0.06128%0.277CS..Hα-helixtrans-70.3-38.4177.3-178.40000110.7V102 V106 A114 K119 L120 Y126V102-V122 HydrophobicContact CG1-CG2 4.49Å; V106-V122 HydrophobicContact CG1-CG1 3.9Å; V106-V122 HydrophobicContact CG2-CG1 3.91Å; A114-V122 HydrophobicContact CB-CB 3.87Å; A114-V122 HydrophobicContact CB-CG1 3.7Å; K119-V122 HydrophobicContact CB-CB 4.33Å; K119-V122 HydrophobicContact CB-CG2 4.2Å; K119-V122 PolarHBondContact O-N 3.39Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3.17Å; V122-Y126 PolarHBondContact O-N 3.4Å
123V96Very high95.7Very high0 Ų048.1 Ų48.10%028%0.281CS..Hα-helixtrans-63.9-49.9174.5171.90000110.8F111 A114 V115 K119 L120 K125 Y126 L127 V155 L159F111-V123 HydrophobicContact CE2-CB 4.49Å; F111-V123 HydrophobicContact CE2-CG1 4Å; F111-V123 HydrophobicContact CE2-CG2 4.48Å; A114-V123 HydrophobicContact CB-CG2 4.26Å; V115-V123 HydrophobicContact CG2-CG2 3.62Å; K119-V123 WeakPolarHBondContact O-CG2 3.49Å; K119-V123 PolarHBondContact O-N 3.36Å; L120-V123 WeakPolarHBondContact O-CB 3.19Å; L120-V123 PolarHBondContact O-N 2.94Å; L120-V123 VanDerWaalsContact O-N 3.15Å; V123-K125 VanDerWaalsContact C-N 3.33Å; V123-K125 PolarHBondContact O-N 2.85Å; V123-Y126 PolarHBondContact O-N 2.91Å; V123-L127 HydrophobicContact CG1-CD1 4Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.33Å; V123-L127 PolarHBondContact O-N 3.37Å; V123-L127 VanDerWaalsContact O-N 3.1Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG1 4.33Å; V123-L159 HydrophobicContact CG1-CD2 4.45Å
124E95.8Very high95.8Very high70 Ų7048 Ų4833%0.32728%0.279SS..Hα-helixtrans-61.9-41.2179.4-72.9-178.1162.300111.5L120 L127 A128 R158L120-E124 HydrophobicContact CD1-CG 4.17Å; L120-E124 HydrophobicContact CG-CG 4.21Å; L120-E124 PolarHBondContact O-N 2.96Å; E124-L127 PolarHBondContact O-N 3.12Å; E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.17Å; E124-A128 PolarHBondContact O-N 3.39Å; E124-R158 HydrophobicContact CG-CG 4.19Å; E124-R158 IonicContact OE1-CZ 2.82Å; E124-R158 IonicContact OE1-NE 3.36Å; E124-R158 PolarHBondContact OE1-NE 2.83Å; E124-R158 IonicContact OE1-NH2 3.93Å; E124-R158 PolarHBondContact OE1-NH2 2.79Å
125K94.9Very high95.7Very high53 Ų5348 Ų4823%0.2328%0.279CS..Hα-helixtrans-59.9-50.7174.2179.8176.4168.745.50112.1V102 P103 E104 V106 P121 V123 L127 A128 D129V102-K125 HydrophobicContact CG1-CB 4.05Å; V102-K125 HydrophobicContact CG1-CD 3.32Å; V102-K125 HydrophobicContact CG1-CG 4.3Å; P103-K125 WeakPolarHBondContact O-CD 3.38Å; P103-K125 WeakPolarHBondContact O-CE 3.34Å; E104-K125 WeakPolarHBondContact O-CE 3.24Å; E104-K125 PolarHBondContact O-NZ 3.49Å; V106-K125 HydrophobicContact CG2-CD 4.26Å; P121-K125 WeakPolarHBondContact O-CB 3.35Å; P121-K125 PolarHBondContact O-N 3.34Å; V123-K125 VanDerWaalsContact C-N 3.33Å; V123-K125 PolarHBondContact O-N 2.85Å; K125-L127 PolarHBondContact O-N 3.19Å; K125-A128 PolarHBondContact O-N 2.89Å; K125-A128 VanDerWaalsContact O-N 3.15Å; K125-D129 WeakPolarHBondContact CE-OD2 3.37Å; K125-D129 WeakPolarHBondContact CG-OD2 3.42Å; K125-D129 IonicContact NZ-OD1 2.94Å; K125-D129 IonicContact NZ-OD2 3.81Å; K125-D129 PolarHBondContact NZ-OD2 3.05Å; K125-D129 WeakPolarHBondContact O-CB 3.47Å; K125-D129 VanDerWaalsContact O-CG 3.3Å; K125-D129 PolarHBondContact O-N 3.19Å
126Y95.9Very high95.6Very high15 Ų1550 Ų506%0.05930%0.295CS..Hα-helixtrans-56.1-41.9179.6176.2-94.2000111.9V106 F111 V122 V123 G131 N132V106-Y126 HydrophobicContact CB-CD2 4.01Å; V106-Y126 HydrophobicContact CG1-CD2 3.88Å; V106-Y126 HydrophobicContact CG1-CG 4.3Å; V106-Y126 WeakPolarHBondContact O-CD2 3.47Å; F111-Y126 HydrophobicContact CB-CD1 4.09Å; F111-Y126 HydrophobicContact CB-CD2 3.81Å; F111-Y126 HydrophobicContact CB-CE1 4.32Å; F111-Y126 HydrophobicContact CB-CE2 4.06Å; F111-Y126 HydrophobicContact CB-CG 3.83Å; F111-Y126 AromaticContact CD1-CD1 3.88Å; F111-Y126 HydrophobicContact CD1-CD1 3.88Å; F111-Y126 AromaticContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CE1 3.63Å; F111-Y126 HydrophobicContact CD1-CG 4.48Å; F111-Y126 AromaticContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD1 3.23Å; F111-Y126 HydrophobicContact CD2-CD2 4.35Å; F111-Y126 AromaticContact CD2-CE1 3.9Å; F111-Y126 HydrophobicContact CD2-CE1 3.9Å; F111-Y126 AromaticContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CD2-CG 3.5Å; F111-Y126 VanDerWaalsContact CD2-CG 3.5Å; F111-Y126 HydrophobicContact CE1-CD1 4.03Å; F111-Y126 AromaticContact CE1-CE1 3.75Å; F111-Y126 HydrophobicContact CE1-CE1 3.75Å; F111-Y126 AromaticContact CE2-CD1 3.39Å; F111-Y126 HydrophobicContact CE2-CD1 3.39Å; F111-Y126 AromaticContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CE1 4Å; F111-Y126 HydrophobicContact CE2-CG 4.1Å; F111-Y126 AromaticContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD1 3.47Å; F111-Y126 VanDerWaalsContact CG-CD1 3.47Å; F111-Y126 HydrophobicContact CG-CD2 4.12Å; F111-Y126 AromaticContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE1 3.69Å; F111-Y126 HydrophobicContact CG-CE2 4.32Å; F111-Y126 AromaticContact CG-CG 3.7Å; F111-Y126 HydrophobicContact CG-CG 3.7Å; F111-Y126 AromaticContact CZ-CD1 3.79Å; F111-Y126 HydrophobicContact CZ-CD1 3.79Å; F111-Y126 AromaticContact CZ-CE1 3.92Å; F111-Y126 HydrophobicContact CZ-CE1 3.92Å; V122-Y126 PolarHBondContact O-N 3.4Å; V123-Y126 PolarHBondContact O-N 2.91Å; Y126-G131 VanDerWaalsContact O-CA 3.3Å; Y126-G131 WeakPolarHBondContact O-CA 3.37Å; Y126-G131 PolarHBondContact O-N 3.18Å; Y126-N132 PolarHBondContact OH-N 3.46Å
127L95.9Very high95.6Very high29 Ų2948.1 Ų48.115%0.15229%0.287CS..Hα-helixtrans-70.8-39.6178.4-63.3172000112.1F111 V123 E124 K125 D129 G130 P133 L159 A162F111-L127 HydrophobicContact CE2-CD2 4.39Å; F111-L127 HydrophobicContact CE2-CG 4.46Å; F111-L127 HydrophobicContact CZ-CD2 4.35Å; V123-L127 HydrophobicContact CG1-CD1 4Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.33Å; V123-L127 PolarHBondContact O-N 3.37Å; V123-L127 VanDerWaalsContact O-N 3.1Å; E124-L127 PolarHBondContact O-N 3.12Å; K125-L127 PolarHBondContact O-N 3.19Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 2.95Å; L127-G130 PolarHBondContact O-N 3Å; L127-G130 VanDerWaalsContact O-N 3.16Å; L127-P133 HydrophobicContact CD2-CB 3.86Å; L127-L159 HydrophobicContact CD1-CD2 4.27Å; L127-L159 HydrophobicContact CD2-CD2 4.49Å; L127-A162 HydrophobicContact CD1-CB 3.93Å; L127-A162 HydrophobicContact CD2-CB 3.98Å; L127-A162 HydrophobicContact CG-CB 4.36Å
128A95.1Very high95.6Very high85 Ų8550.4 Ų50.470%0.70230%0.302SS*.Hα-helixtrans-66.1-34.117700000112.6E124 K125 G130E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.17Å; E124-A128 PolarHBondContact O-N 3.39Å; K125-A128 PolarHBondContact O-N 2.89Å; K125-A128 VanDerWaalsContact O-N 3.15Å; A128-G130 PolarHBondContact O-N 3.46Å; A128-G130 VanDerWaalsContact O-N 3.16Å
129D94.6Very high95.6Very high100 Ų10052.1 Ų52.154%0.53531%0.306SS..THydrogen-bonded Turntrans-74.46.1175.4-66.9-16.6000112.5K125 L127K125-D129 WeakPolarHBondContact CE-OD2 3.37Å; K125-D129 WeakPolarHBondContact CG-OD2 3.42Å; K125-D129 IonicContact NZ-OD1 2.94Å; K125-D129 IonicContact NZ-OD2 3.81Å; K125-D129 PolarHBondContact NZ-OD2 3.05Å; K125-D129 WeakPolarHBondContact O-CB 3.47Å; K125-D129 VanDerWaalsContact O-CG 3.3Å; K125-D129 PolarHBondContact O-N 3.19Å; L127-D129 VanDerWaalsContact C-N 3.32Å; L127-D129 PolarHBondContact O-N 2.95Å
130G93.3Very high95.6Very high69 Ų6953.5 Ų53.571%0.71131%0.314SS*.THydrogen-bonded Turntrans83.716.217800000114.3L127 A128L127-G130 PolarHBondContact O-N 3Å; L127-G130 VanDerWaalsContact O-N 3.16Å; A128-G130 PolarHBondContact O-N 3.46Å; A128-G130 VanDerWaalsContact O-N 3.16Å
131G94.9Very high95.8Very high19 Ų1955 Ų5520%0.19632%0.317CS..  trans-61.2151.7176.200000112.8Y126 P133Y126-G131 VanDerWaalsContact O-CA 3.3Å; Y126-G131 WeakPolarHBondContact O-CA 3.37Å; Y126-G131 PolarHBondContact O-N 3.18Å; G131-P133 VanDerWaalsContact O-CD 3.29Å; G131-P133 WeakPolarHBondContact O-CD 3.34Å
132N96.6Very high95.9Very high79 Ų7952.8 Ų52.842%0.42230%0.303SS..  trans-76.3114.8-178.1179.76.8000110.7Y126 N134 A135Y126-N132 PolarHBondContact OH-N 3.46Å; N132-N134 PolarHBondContact O-N 2.92Å; N132-N134 VanDerWaalsContact O-N 3.12Å; N132-N134 WeakPolarHBondContact OD1-CA 3.46Å; N132-N134 WeakPolarHBondContact OD1-CB 3.44Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N132-A135 VanDerWaalsContact O-CB 3.3Å; N132-A135 WeakPolarHBondContact O-CB 3.18Å; N132-A135 PolarHBondContact O-N 3.01Å
133P96.3Very high96Very high19 Ų1952.3 Ų52.312%0.12330%0.3CS..THydrogen-bonded Turntrans-63.6-20.3177.628.8-37.8000113L127 G131 A162 A164L127-P133 HydrophobicContact CD2-CB 3.86Å; G131-P133 VanDerWaalsContact O-CD 3.29Å; G131-P133 WeakPolarHBondContact O-CD 3.34Å; P133-A162 HydrophobicContact CB-CB 4.24Å; P133-A162 WeakPolarHBondContact CG-O 3.49Å; P133-A164 HydrophobicContact CB-CB 4.23Å
134N97.1Very high96.1Very high48 Ų4852.3 Ų52.326%0.25730%0.3SS..THydrogen-bonded Turntrans-94.812.7177.3-62.3-56.7000113.2N132 A136 A164 A165N132-N134 PolarHBondContact O-N 2.92Å; N132-N134 VanDerWaalsContact O-N 3.12Å; N132-N134 WeakPolarHBondContact OD1-CA 3.46Å; N132-N134 WeakPolarHBondContact OD1-CB 3.44Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N134-A136 PolarHBondContact O-N 3.09Å; N134-A164 WeakPolarHBondContact OD1-CA 3.47Å; N134-A165 WeakPolarHBondContact OD1-CB 3.39Å; N134-A165 PolarHBondContact OD1-N 3.48Å
135A95.3Very high96.3Very high2 Ų249.1 Ų49.12%0.01729%0.285CS..  trans-51.1134.6170.500000109.7E108 F111 N132 T142 A143E108-A135 HydrophobicContact CG-CB 4.3Å; F111-A135 HydrophobicContact CD1-CB 4.19Å; F111-A135 HydrophobicContact CE1-CB 4.12Å; N132-A135 VanDerWaalsContact O-CB 3.3Å; N132-A135 WeakPolarHBondContact O-CB 3.18Å; N132-A135 PolarHBondContact O-N 3.01Å; A135-T142 VanDerWaalsContact O-CA 3.29Å; A135-T142 WeakPolarHBondContact O-CA 3.23Å; A135-A143 PolarHBondContact O-N 3.28Å
136A96.3Very high96.4Very high41 Ų4148 Ų4834%0.33928%0.28SS..BIsolated β-bridgetrans-135.7148.2-169.900000110.8N134 R141 T142N134-A136 PolarHBondContact O-N 3.09Å; A136-R141 WeakPolarHBondContact CA-O 3.47Å; A136-T142 HydrophobicContact CB-CG2 4.21Å
137D95.4Very high96.6Very high25 Ų2547.3 Ų47.313%0.13428%0.277CS..  trans-78.1-177.617570.316.2000112.8L112 F139 Q140 R141 K146L112-D137 HydrophobicContact CD1-CB 4.17Å; D137-F139 PolarHBondContact O-N 2.66Å; D137-F139 WeakPolarHBondContact OD1-CA 3.43Å; D137-F139 WeakPolarHBondContact OD1-CB 3.4Å; D137-F139 PolarHBondContact OD1-N 2.88Å; D137-Q140 WeakPolarHBondContact O-CA 3.49Å; D137-Q140 PolarHBondContact O-N 3.35Å; D137-Q140 PolarHBondContact OD1-N 3.05Å; D137-R141 PolarHBondContact N-O 3.4Å; D137-R141 VanDerWaalsContact N-O 3.11Å; D137-R141 WeakPolarHBondContact OD1-CB 3.43Å; D137-R141 PolarHBondContact OD1-N 2.9Å; D137-R141 IonicContact OD1-NE 4Å; D137-R141 PolarHBondContact OD1-NE 3.5Å; D137-R141 IonicContact OD1-NH2 3.14Å; D137-R141 IonicContact OD2-CZ 2.78Å; D137-R141 IonicContact OD2-NE 2.7Å; D137-R141 PolarHBondContact OD2-NE 2.93Å; D137-R141 IonicContact OD2-NH2 3.24Å; D137-R141 PolarHBondContact OD2-NH2 3.06Å; D137-K146 IonicContact OD2-NZ 3.54Å; D137-K146 PolarHBondContact OD2-NZ 2.97Å
138N95.9Very high96.7Very high154 Ų15445.9 Ų45.982%0.82427%0.27SS*.THydrogen-bonded Turntrans-58.2-11.5178.8-62.9-24.3000114.9
139F96.3Very high96.8Very high111 Ų11145.2 Ų45.249%0.48725%0.251SS..THydrogen-bonded Turntrans-105.314.3175.3-59.3-85.4000112.4D137 R141 K171D137-F139 PolarHBondContact O-N 2.66Å; D137-F139 WeakPolarHBondContact OD1-CA 3.43Å; D137-F139 WeakPolarHBondContact OD1-CB 3.4Å; D137-F139 PolarHBondContact OD1-N 2.88Å; F139-R141 HydrophobicContact CB-CG 4.1Å; F139-R141 VanDerWaalsContact CD2-NH2 3.34Å; F139-R141 PolarHBondContact O-N 3.45Å; F139-K171 VanDerWaalsContact O-CB 3.24Å; F139-K171 WeakPolarHBondContact O-CB 3.34Å; F139-K171 PolarHBondContact O-N 3.05Å
140Q97.4Very high97Very high107 Ų10745.3 Ų45.350%0.525%0.247SC..  trans5923.8-173.9-56.6-179.320.300113.2D137 T142D137-Q140 WeakPolarHBondContact O-CA 3.49Å; D137-Q140 PolarHBondContact O-N 3.35Å; D137-Q140 PolarHBondContact OD1-N 3.05Å; Q140-T142 PolarHBondContact O-N 3.14Å
141R97.8Very high97.2Very high71 Ų7142.8 Ų42.827%0.26822%0.221SC..  trans-85108.3175.8-59.8173.7-62.1-170.9-0.8108.9A136 D137 F139 H145 D170 W179A136-R141 WeakPolarHBondContact CA-O 3.47Å; D137-R141 PolarHBondContact N-O 3.4Å; D137-R141 VanDerWaalsContact N-O 3.11Å; D137-R141 WeakPolarHBondContact OD1-CB 3.43Å; D137-R141 PolarHBondContact OD1-N 2.9Å; D137-R141 IonicContact OD1-NE 4Å; D137-R141 PolarHBondContact OD1-NE 3.5Å; D137-R141 IonicContact OD1-NH2 3.14Å; D137-R141 IonicContact OD2-CZ 2.78Å; D137-R141 IonicContact OD2-NE 2.7Å; D137-R141 PolarHBondContact OD2-NE 2.93Å; D137-R141 IonicContact OD2-NH2 3.24Å; D137-R141 PolarHBondContact OD2-NH2 3.06Å; F139-R141 HydrophobicContact CB-CG 4.1Å; F139-R141 VanDerWaalsContact CD2-NH2 3.34Å; F139-R141 PolarHBondContact O-N 3.45Å; R141-H145 HydrophobicContact CB-CB 4.31Å; R141-D170 HydrophobicContact CG-CB 3.9Å; R141-W179 VanDerWaalsContact CD-CZ2 3.41Å; R141-W179 HydrophobicContact CG-CZ2 3.95Å
142T98.1Very high97.4Very high2 Ų243.7 Ų43.71%0.01222%0.22CC..BIsolated β-bridgetrans-65.6166.9174.8670000113.1A135 A136 Q140 L144 H145 K146 Q168A135-T142 VanDerWaalsContact O-CA 3.29Å; A135-T142 WeakPolarHBondContact O-CA 3.23Å; A136-T142 HydrophobicContact CB-CG2 4.21Å; Q140-T142 PolarHBondContact O-N 3.14Å; T142-L144 PolarHBondContact O-N 3.45Å; T142-L144 PolarHBondContact OG1-N 3.41Å; T142-H145 PolarHBondContact N-ND1 2.99Å; T142-H145 VanDerWaalsContact N-ND1 3.12Å; T142-H145 WeakPolarHBondContact O-CB 3.33Å; T142-H145 PolarHBondContact O-N 3.43Å; T142-H145 VanDerWaalsContact O-N 3.16Å; T142-H145 PolarHBondContact OG1-N 2.99Å; T142-H145 PolarHBondContact OG1-ND1 3.38Å; T142-K146 PolarHBondContact O-N 3.41Å; T142-Q168 HydrophobicContact CG2-CB 4.32Å; T142-Q168 HydrophobicContact CG2-CG 3.69Å
143A97.9Very high97.5Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-51.1-42.1167.900000112.4F111 L112 V115 A135 H145 K146 A147 L159F111-A143 HydrophobicContact CE1-CB 3.56Å; F111-A143 HydrophobicContact CZ-CB 3.63Å; L112-A143 HydrophobicContact CD2-CB 4.01Å; V115-A143 HydrophobicContact CG1-CB 4.42Å; V115-A143 WeakPolarHBondContact CG1-O 3.33Å; V115-A143 HydrophobicContact CG2-CB 3.97Å; A135-A143 PolarHBondContact O-N 3.28Å; A143-H145 VanDerWaalsContact C-N 3.34Å; A143-H145 PolarHBondContact O-N 3.19Å; A143-K146 PolarHBondContact O-N 3.31Å; A143-A147 WeakPolarHBondContact O-CB 3.08Å; A143-A147 PolarHBondContact O-N 3.34Å; A143-L159 HydrophobicContact CB-CD1 3.78Å; A143-L159 HydrophobicContact CB-CD2 3.76Å; A143-L159 HydrophobicContact CB-CG 4.46Å
144L98.5Very high97.6Very high0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-62.3-39.6179.4-173.463.4000112.2T142 S148 M156 L160 A164 A176 L192T142-L144 PolarHBondContact O-N 3.45Å; T142-L144 PolarHBondContact OG1-N 3.41Å; L144-S148 WeakPolarHBondContact O-CB 3.47Å; L144-S148 PolarHBondContact O-N 3.03Å; L144-S148 PolarHBondContact O-OG 2.84Å; L144-M156 HydrophobicContact CD1-CB 4.26Å; L144-M156 HydrophobicContact CD1-CG 4.27Å; L144-L160 HydrophobicContact CD1-CD2 4.06Å; L144-L160 HydrophobicContact CD1-CG 4.12Å; L144-L160 HydrophobicContact CD2-CD2 3.74Å; L144-A164 HydrophobicContact CB-CB 4.46Å; L144-A164 HydrophobicContact CD2-CB 4.47Å; L144-A176 HydrophobicContact CD2-CB 3.91Å; L144-A176 HydrophobicContact CG-CB 3.89Å; L144-L192 HydrophobicContact CD1-CD2 4.26Å; L144-L192 HydrophobicContact CD2-CD2 4.27Å; L144-L192 HydrophobicContact CG-CD2 4.45Å
145H98.6Very high97.6Very high3 Ų341.4 Ų41.41%0.01421%0.205CC..Hα-helixtrans-60.2-46.8174.2-67.6108.3000112.1R141 T142 A143 S148 F149 Q168 A174 A176 W179R141-H145 HydrophobicContact CB-CB 4.31Å; T142-H145 PolarHBondContact N-ND1 2.99Å; T142-H145 VanDerWaalsContact N-ND1 3.12Å; T142-H145 WeakPolarHBondContact O-CB 3.33Å; T142-H145 PolarHBondContact O-N 3.43Å; T142-H145 VanDerWaalsContact O-N 3.16Å; T142-H145 PolarHBondContact OG1-N 2.99Å; T142-H145 PolarHBondContact OG1-ND1 3.38Å; A143-H145 VanDerWaalsContact C-N 3.34Å; A143-H145 PolarHBondContact O-N 3.19Å; H145-S148 PolarHBondContact O-N 3.09Å; H145-F149 WeakPolarHBondContact O-CB 3.47Å; H145-F149 PolarHBondContact O-N 3.09Å; H145-Q168 PolarHBondContact CE1-O 2.98Å; H145-Q168 PolarHBondContact NE2-O 3.4Å; H145-A174 PolarHBondContact NE2-O 3.49Å; H145-A176 PolarHBondContact CD2-N 3.47Å; H145-A176 PolarHBondContact NE2-N 3.45Å; H145-W179 HydrophobicContact CB-CG 4.14Å; H145-W179 AromaticContact CD2-CD1 3.23Å; H145-W179 AromaticContact CD2-NE1 3.64Å; H145-W179 AromaticContact CG-CD1 3.93Å
146K98.4Very high97.8Very high29 Ų2941.3 Ų41.313%0.12621%0.205CC..Hα-helixtrans-63.3-47.9-179.7-71.4177.1-167.1-72.50111.6L112 V115 M116 D137 T142 A143 S148 F149 K150L112-K146 HydrophobicContact CB-CD 4.1Å; L112-K146 HydrophobicContact CD2-CD 3.94Å; V115-K146 HydrophobicContact CG1-CB 4.01Å; M116-K146 HydrophobicContact CG-CB 4.03Å; M116-K146 HydrophobicContact CG-CD 3.98Å; M116-K146 HydrophobicContact CG-CG 4.23Å; M116-K146 HydrophobicContact SD-CB 3.55Å; M116-K146 VanDerWaalsContact SD-CB 3.55Å; M116-K146 HydrophobicContact SD-CD 4.27Å; M116-K146 HydrophobicContact SD-CG 3.85Å; D137-K146 IonicContact OD2-NZ 3.54Å; D137-K146 PolarHBondContact OD2-NZ 2.97Å; T142-K146 PolarHBondContact O-N 3.41Å; A143-K146 PolarHBondContact O-N 3.31Å; K146-S148 VanDerWaalsContact C-N 3.35Å; K146-S148 PolarHBondContact O-N 3.24Å; K146-F149 PolarHBondContact O-N 3.02Å; K146-K150 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-N 3.12Å
147A98.4Very high97.9Very high0 Ų043.8 Ų43.80%021%0.205CC..Hα-helixtrans-62.2-42.4176.900000111.6V115 A143 K150 G151 H152 V155 M156 L159V115-A147 HydrophobicContact CG1-CB 3.76Å; A143-A147 WeakPolarHBondContact O-CB 3.08Å; A143-A147 PolarHBondContact O-N 3.34Å; A147-K150 CarbonylContact O-C 3.58Å; A147-K150 PolarHBondContact O-N 2.83Å; A147-G151 PolarHBondContact O-N 3.22Å; A147-H152 PolarHBondContact O-N 3.2Å; A147-V155 HydrophobicContact CB-CG1 4.04Å; A147-M156 HydrophobicContact CB-CG 3.53Å; A147-L159 HydrophobicContact CB-CD1 4.14Å
148S98.6Very high98Very high0 Ų046.8 Ų46.80%021%0.214CC..Hα-helixtrans-62.3-44.2177.5-600000112L144 H145 K146 K150 G151 M156 A176 A180L144-S148 WeakPolarHBondContact O-CB 3.47Å; L144-S148 PolarHBondContact O-N 3.03Å; L144-S148 PolarHBondContact O-OG 2.84Å; H145-S148 PolarHBondContact O-N 3.09Å; K146-S148 VanDerWaalsContact C-N 3.35Å; K146-S148 PolarHBondContact O-N 3.24Å; S148-K150 VanDerWaalsContact C-N 3.3Å; S148-K150 PolarHBondContact O-N 3.27Å; S148-G151 PolarHBondContact O-N 2.92Å; S148-M156 WeakPolarHBondContact OG-CE 3.36Å; S148-A176 WeakPolarHBondContact CB-O 3.17Å; S148-A180 WeakPolarHBondContact O-CA 3.39Å
149F98.5Very high98.1Very high71 Ų7139.4 Ų39.431%0.31118%0.175SC..Hα-helixtrans-60.9-38.8175.9177.5-110.2000112.9H145 K146 W179 R182 G183H145-F149 WeakPolarHBondContact O-CB 3.47Å; H145-F149 PolarHBondContact O-N 3.09Å; K146-F149 PolarHBondContact O-N 3.02Å; F149-W179 WeakPolarHBondContact CA-O 3.34Å; F149-W179 HydrophobicContact CB-CB 4.39Å; F149-W179 HydrophobicContact CB-CE3 3.8Å; F149-W179 AromaticContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CZ3 4.19Å; F149-W179 AromaticContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CZ3 4.29Å; F149-R182 HydrophobicContact CD2-CB 4.32Å; F149-R182 HydrophobicContact CD2-CG 4.19Å; F149-R182 HydrophobicContact CE2-CG 3.99Å; F149-G183 WeakPolarHBondContact O-CA 3.3Å
150K98.2Very high98.2Very high101 Ų10135.2 Ų35.244%0.43916%0.158SC..Hα-helixtrans-82.8-18.2178.6-67.9-62.9-171.6174.20113.8M116 K146 A147 S148 H152M116-K150 HydrophobicContact CE-CG 4.41Å; M116-K150 HydrophobicContact SD-CG 3.97Å; K146-K150 PolarHBondContact O-N 2.94Å; K146-K150 VanDerWaalsContact O-N 3.12Å; A147-K150 CarbonylContact O-C 3.58Å; A147-K150 PolarHBondContact O-N 2.83Å; S148-K150 VanDerWaalsContact C-N 3.3Å; S148-K150 PolarHBondContact O-N 3.27Å; K150-H152 VanDerWaalsContact CB-CD2 3.43Å; K150-H152 WeakPolarHBondContact CB-CD2 3.32Å; K150-H152 VanDerWaalsContact CB-NE2 3.34Å; K150-H152 WeakPolarHBondContact CB-NE2 3.26Å
151G97.7Very high98.2Very high16 Ų1636.2 Ų36.217%0.16516%0.162CC..THydrogen-bonded Turntrans7824-176.700000114A147 S148 V153 S185A147-G151 PolarHBondContact O-N 3.22Å; S148-G151 PolarHBondContact O-N 2.92Å; G151-V153 VanDerWaalsContact C-N 3.29Å; G151-V153 WeakPolarHBondContact O-CG2 3.49Å; G151-V153 PolarHBondContact O-N 3Å; G151-S185 VanDerWaalsContact CA-CB 3.48Å; G151-S185 WeakPolarHBondContact CA-OG 3.24Å
152H98.4Very high98.2Very high38 Ų3835 Ų3518%0.17617%0.168CC..  trans-79.876-177.9-63.5-29.1000110.9V115 M116 N118 A147 K150 E154 V155 M156V115-H152 PolarHBondContact O-CD2 3.41Å; M116-H152 PolarHBondContact O-NE2 3.1Å; N118-H152 WeakPolarHBondContact OD1-CB 3.48Å; A147-H152 PolarHBondContact O-N 3.2Å; K150-H152 VanDerWaalsContact CB-CD2 3.43Å; K150-H152 WeakPolarHBondContact CB-CD2 3.32Å; K150-H152 VanDerWaalsContact CB-NE2 3.34Å; K150-H152 WeakPolarHBondContact CB-NE2 3.26Å; H152-E154 VanDerWaalsContact C-N 3.29Å; H152-E154 PolarHBondContact O-N 3.35Å; H152-V155 HydrophobicContact CB-CB 4.12Å; H152-V155 HydrophobicContact CB-CG2 4.32Å; H152-V155 PolarHBondContact O-N 2.87Å; H152-M156 WeakPolarHBondContact O-CG 3.15Å; H152-M156 PolarHBondContact O-N 3.39Å
153V98.3Very high98.1Very high29 Ų2937.2 Ų37.218%0.17619%0.191CC..Hα-helixtrans-58-36.6-168.6-170.60000113.3G151 M156 R157 P187 L191G151-V153 VanDerWaalsContact C-N 3.29Å; G151-V153 WeakPolarHBondContact O-CG2 3.49Å; G151-V153 PolarHBondContact O-N 3Å; V153-M156 WeakPolarHBondContact O-CB 3.43Å; V153-M156 PolarHBondContact O-N 3.19Å; V153-R157 VanDerWaalsContact CG1-NH1 3.32Å; V153-R157 PolarHBondContact O-N 2.96Å; V153-P187 HydrophobicContact CG2-CB 3.78Å; V153-L191 HydrophobicContact CG1-CB 4.44Å; V153-L191 HydrophobicContact CG1-CD2 3.75Å
154E98.1Very high98.1Very high70 Ų7037.6 Ų37.633%0.32719%0.194SC..Hα-helixtrans-69.6-44.2179.9-164.358.4-146.400111.9L120 H152 M156 R157 R158L120-E154 HydrophobicContact CD1-CG 4.32Å; L120-E154 HydrophobicContact CD2-CG 3.69Å; H152-E154 VanDerWaalsContact C-N 3.29Å; H152-E154 PolarHBondContact O-N 3.35Å; E154-M156 VanDerWaalsContact C-N 3.28Å; E154-M156 PolarHBondContact O-N 3.25Å; E154-R157 WeakPolarHBondContact O-CB 3.11Å; E154-R157 PolarHBondContact O-N 2.65Å; E154-R157 IonicContact OE1-NE 2.79Å; E154-R157 IonicContact OE2-CZ 3.83Å; E154-R157 IonicContact OE2-NE 3.45Å; E154-R157 PolarHBondContact OE2-NE 3.25Å; E154-R157 IonicContact OE2-NH2 2.85Å; E154-R157 PolarHBondContact OE2-NH2 2.84Å; E154-R158 PolarHBondContact O-N 3.41Å
155V98.4Very high98.1Very high0 Ų039.4 Ų39.40%021%0.209CC..Hα-helixtrans-59.3-42.4172.3172.20000110.4V115 N118 L120 V123 A147 H152 R157 R158 L159V115-V155 HydrophobicContact CB-CG1 4.41Å; V115-V155 HydrophobicContact CG1-CG1 4.01Å; V115-V155 HydrophobicContact CG2-CG1 4.1Å; N118-V155 WeakPolarHBondContact OD1-CG2 3.35Å; L120-V155 HydrophobicContact CD1-CG2 3.97Å; V123-V155 HydrophobicContact CG1-CG1 4.24Å; V123-V155 HydrophobicContact CG2-CG1 4.33Å; A147-V155 HydrophobicContact CB-CG1 4.04Å; H152-V155 HydrophobicContact CB-CB 4.12Å; H152-V155 HydrophobicContact CB-CG2 4.32Å; H152-V155 PolarHBondContact O-N 2.87Å; V155-R157 PolarHBondContact O-N 2.94Å; V155-R158 PolarHBondContact O-N 3.25Å; V155-L159 HydrophobicContact CG1-CD1 3.83Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.46Å; V155-L159 PolarHBondContact O-N 3.26Å
156M98.6Very high98Very high0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-59.8-45.1175.3-65.7170.265.500112.1L144 A147 S148 H152 V153 E154 R158 L159 L160 A188 L191 L192L144-M156 HydrophobicContact CD1-CB 4.26Å; L144-M156 HydrophobicContact CD1-CG 4.27Å; A147-M156 HydrophobicContact CB-CG 3.53Å; S148-M156 WeakPolarHBondContact OG-CE 3.36Å; H152-M156 WeakPolarHBondContact O-CG 3.15Å; H152-M156 PolarHBondContact O-N 3.39Å; V153-M156 WeakPolarHBondContact O-CB 3.43Å; V153-M156 PolarHBondContact O-N 3.19Å; E154-M156 VanDerWaalsContact C-N 3.28Å; E154-M156 PolarHBondContact O-N 3.25Å; M156-R158 PolarHBondContact O-N 3.06Å; M156-L159 PolarHBondContact O-N 2.94Å; M156-L160 WeakPolarHBondContact O-CB 3.49Å; M156-L160 WeakPolarHBondContact O-CG 3.39Å; M156-L160 PolarHBondContact O-N 3.16Å; M156-A188 HydrophobicContact CE-CB 3.8Å; M156-A188 HydrophobicContact SD-CB 3.53Å; M156-A188 VanDerWaalsContact SD-CB 3.53Å; M156-L191 HydrophobicContact CB-CD2 3.65Å; M156-L191 HydrophobicContact CE-CD2 4.19Å; M156-L192 HydrophobicContact CE-CD1 3.92Å; M156-L192 HydrophobicContact CE-CD2 3.87Å; M156-L192 HydrophobicContact CE-CG 3.62Å
157R98.3Very high98Very high92 Ų9242.7 Ų42.735%0.34723%0.225SC..Hα-helixtrans-55.9-50.6175.9-89.9-172-78.7-85.70.4111.4V153 E154 V155 L159 L160 E161 L191V153-R157 VanDerWaalsContact CG1-NH1 3.32Å; V153-R157 PolarHBondContact O-N 2.96Å; E154-R157 WeakPolarHBondContact O-CB 3.11Å; E154-R157 PolarHBondContact O-N 2.65Å; E154-R157 IonicContact OE1-NE 2.79Å; E154-R157 IonicContact OE2-CZ 3.83Å; E154-R157 IonicContact OE2-NE 3.45Å; E154-R157 PolarHBondContact OE2-NE 3.25Å; E154-R157 IonicContact OE2-NH2 2.85Å; E154-R157 PolarHBondContact OE2-NH2 2.84Å; V155-R157 PolarHBondContact O-N 2.94Å; R157-L159 VanDerWaalsContact C-N 3.35Å; R157-L159 PolarHBondContact O-N 3.22Å; R157-L160 PolarHBondContact O-N 2.88Å; R157-E161 WeakPolarHBondContact O-CB 3.38Å; R157-E161 WeakPolarHBondContact O-CG 3.36Å; R157-E161 PolarHBondContact O-N 3.45Å; R157-L191 HydrophobicContact CG-CD1 4.06Å; R157-L191 HydrophobicContact CG-CD2 3.98Å
158R97.9Very high97.9Very high88 Ų8846.5 Ų46.533%0.33224%0.243SC..Hα-helixtrans-60.1-42.7178.7-66.8-46.8-164.8-171.6-0.8113.3L120 E124 E154 V155 M156 L160 E161 A162L120-R158 HydrophobicContact CD1-CG 3.8Å; E124-R158 HydrophobicContact CG-CG 4.19Å; E124-R158 IonicContact OE1-CZ 2.82Å; E124-R158 IonicContact OE1-NE 3.36Å; E124-R158 PolarHBondContact OE1-NE 2.83Å; E124-R158 IonicContact OE1-NH2 3.93Å; E124-R158 PolarHBondContact OE1-NH2 2.79Å; E154-R158 PolarHBondContact O-N 3.41Å; V155-R158 PolarHBondContact O-N 3.25Å; M156-R158 PolarHBondContact O-N 3.06Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 3.23Å; R158-E161 WeakPolarHBondContact CD-OE2 3.44Å; R158-E161 IonicContact CZ-OE2 3.59Å; R158-E161 IonicContact NH1-OE2 3.39Å; R158-E161 PolarHBondContact NH1-OE2 3.29Å; R158-E161 PolarHBondContact O-N 2.93Å; R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.42Å
159L98.2Very high97.9Very high0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-61.6-42.8176.8-69.9168.7000111.5F111 V123 L127 A143 A147 V155 M156 R157 A162 G163 A164F111-L159 HydrophobicContact CE2-CD2 4.16Å; F111-L159 HydrophobicContact CZ-CD2 3.63Å; V123-L159 HydrophobicContact CG1-CD2 4.45Å; L127-L159 HydrophobicContact CD1-CD2 4.27Å; L127-L159 HydrophobicContact CD2-CD2 4.49Å; A143-L159 HydrophobicContact CB-CD1 3.78Å; A143-L159 HydrophobicContact CB-CD2 3.76Å; A143-L159 HydrophobicContact CB-CG 4.46Å; A147-L159 HydrophobicContact CB-CD1 4.14Å; V155-L159 HydrophobicContact CG1-CD1 3.83Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.46Å; V155-L159 PolarHBondContact O-N 3.26Å; M156-L159 PolarHBondContact O-N 2.94Å; R157-L159 VanDerWaalsContact C-N 3.35Å; R157-L159 PolarHBondContact O-N 3.22Å; L159-A162 PolarHBondContact O-N 2.95Å; L159-G163 PolarHBondContact O-N 3.42Å; L159-A164 HydrophobicContact CB-CB 4.01Å; L159-A164 WeakPolarHBondContact O-CB 3.2Å; L159-A164 PolarHBondContact O-N 2.85Å
160L97.9Very high97.9Very high23 Ų2347 Ų4712%0.1225%0.246CC..Hα-helixtrans-68.9-41.4179.3-66.4171.8000112.2L144 M156 R157 R158 A162 G163 I166 L191 Q195L144-L160 HydrophobicContact CD1-CD2 4.06Å; L144-L160 HydrophobicContact CD1-CG 4.12Å; L144-L160 HydrophobicContact CD2-CD2 3.74Å; M156-L160 WeakPolarHBondContact O-CB 3.49Å; M156-L160 WeakPolarHBondContact O-CG 3.39Å; M156-L160 PolarHBondContact O-N 3.16Å; R157-L160 PolarHBondContact O-N 2.88Å; R158-L160 VanDerWaalsContact C-N 3.33Å; R158-L160 PolarHBondContact O-N 3.23Å; L160-A162 VanDerWaalsContact C-N 3.26Å; L160-A162 PolarHBondContact O-N 2.77Å; L160-G163 PolarHBondContact O-N 3.18Å; L160-I166 HydrophobicContact CD2-CD1 3.91Å; L160-I166 HydrophobicContact CD2-CG1 3.34Å; L160-L191 HydrophobicContact CD1-CD2 4.34Å; L160-L191 HydrophobicContact CD1-CG 4.3Å; L160-Q195 HydrophobicContact CD1-CB 4.41Å; L160-Q195 HydrophobicContact CD1-CG 4Å
161E97.3Very high97.9Very high128 Ų12848.3 Ų48.360%0.59825%0.251SS*.Hα-helixtrans-59.6-37172.5-73.8169.4-174.600111.8R157 R158 G163R157-E161 WeakPolarHBondContact O-CB 3.38Å; R157-E161 WeakPolarHBondContact O-CG 3.36Å; R157-E161 PolarHBondContact O-N 3.45Å; R158-E161 WeakPolarHBondContact CD-OE2 3.44Å; R158-E161 IonicContact CZ-OE2 3.59Å; R158-E161 IonicContact NH1-OE2 3.39Å; R158-E161 PolarHBondContact NH1-OE2 3.29Å; R158-E161 PolarHBondContact O-N 2.93Å; E161-G163 PolarHBondContact O-N 3.17Å
162A97Very high97.9Very high46 Ų4652.4 Ų52.438%0.3827%0.269SS..THydrogen-bonded Turntrans-76.9-0.3175.500000114L127 P133 R158 L159 L160L127-A162 HydrophobicContact CD1-CB 3.93Å; L127-A162 HydrophobicContact CD2-CB 3.98Å; L127-A162 HydrophobicContact CG-CB 4.36Å; P133-A162 HydrophobicContact CB-CB 4.24Å; P133-A162 WeakPolarHBondContact CG-O 3.49Å; R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.42Å; L159-A162 PolarHBondContact O-N 2.95Å; L160-A162 VanDerWaalsContact C-N 3.26Å; L160-A162 PolarHBondContact O-N 2.77Å
163G96.8Very high97.9Very high48 Ų4855 Ų5550%0.49528%0.281SS..THydrogen-bonded Turntrans90.126177.100000115.1L159 L160 E161 A165L159-G163 PolarHBondContact O-N 3.42Å; L160-G163 PolarHBondContact O-N 3.18Å; E161-G163 PolarHBondContact O-N 3.17Å; G163-A165 PolarHBondContact O-N 3.17Å
164A97.7Very high97.9Very high8 Ų854 Ų547%0.06628%0.276CS..  trans-59.1132.3169.500000111.1P133 N134 L144 L159 I166P133-A164 HydrophobicContact CB-CB 4.23Å; N134-A164 WeakPolarHBondContact OD1-CA 3.47Å; L144-A164 HydrophobicContact CB-CB 4.46Å; L144-A164 HydrophobicContact CD2-CB 4.47Å; L159-A164 HydrophobicContact CB-CB 4.01Å; L159-A164 WeakPolarHBondContact O-CB 3.2Å; L159-A164 PolarHBondContact O-N 2.85Å; A164-I166 PolarHBondContact O-N 3.47Å
165A97.9Very high97.9Very high38 Ų3850.7 Ų50.731%0.31426%0.26SS..  trans-73.5108.3-179.200000110.7N134 G163 E167 Q168N134-A165 WeakPolarHBondContact OD1-CB 3.39Å; N134-A165 PolarHBondContact OD1-N 3.48Å; G163-A165 PolarHBondContact O-N 3.17Å; A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.11Å; A165-Q168 HydrophobicContact CB-CB 3.97Å; A165-Q168 WeakPolarHBondContact O-CB 3.49Å; A165-Q168 PolarHBondContact O-N 3.41Å
166I97.7Very high97.9Very high34 Ų3450.7 Ų50.717%0.17426%0.261CS..THydrogen-bonded Turntrans-60-40.6-178-66.1172.1000112.4L160 A164 Q195 A197L160-I166 HydrophobicContact CD2-CD1 3.91Å; L160-I166 HydrophobicContact CD2-CG1 3.34Å; A164-I166 PolarHBondContact O-N 3.47Å; I166-Q195 HydrophobicContact CD1-CB 3.77Å; I166-Q195 VanDerWaalsContact CD1-O 3.24Å; I166-Q195 WeakPolarHBondContact CD1-O 3.29Å; I166-A197 HydrophobicContact CG2-CB 3.34Å
167E97.8Very high97.9Very high67 Ų6750.7 Ų50.731%0.31326%0.261SS..THydrogen-bonded Turntrans-949.7-176.4-64.1-62.4133.300113.1A165 K169 A197 K198 S201A165-E167 VanDerWaalsContact C-N 3.32Å; A165-E167 PolarHBondContact O-N 3.11Å; E167-K169 PolarHBondContact O-N 2.86Å; E167-A197 VanDerWaalsContact OE1-CA 3.28Å; E167-A197 WeakPolarHBondContact OE1-CA 3.25Å; E167-K198 PolarHBondContact OE1-N 2.93Å; E167-S201 PolarHBondContact OE2-OG 3.17Å
168Q97.6Very high97.9Very high80 Ų8046.5 Ų46.537%0.37425%0.245SC..  trans-59.2132.1173.9-17759.956.900109.1T142 H145 A165T142-Q168 HydrophobicContact CG2-CB 4.32Å; T142-Q168 HydrophobicContact CG2-CG 3.69Å; H145-Q168 PolarHBondContact CE1-O 2.98Å; H145-Q168 PolarHBondContact NE2-O 3.4Å; A165-Q168 HydrophobicContact CB-CB 3.97Å; A165-Q168 WeakPolarHBondContact O-CB 3.49Å; A165-Q168 PolarHBondContact O-N 3.41Å
169K98.1Very high98Very high76 Ų7644.5 Ų44.533%0.3324%0.237SC..  trans-97.4142.4177.1-73.6-174.4170-154.30110.2E167 E173 A174 T175 R202E167-K169 PolarHBondContact O-N 2.86Å; K169-E173 HydrophobicContact CD-CB 4Å; K169-E173 HydrophobicContact CD-CG 4.45Å; K169-E173 IonicContact NZ-OE2 3.69Å; K169-E173 PolarHBondContact NZ-OE2 3.33Å; K169-A174 WeakPolarHBondContact CA-O 3.39Å; K169-T175 HydrophobicContact CG-CG2 4.07Å; K169-R202 PolarHBondContact NZ-O 3.37Å
170D98.1Very high98Very high6 Ų644.5 Ų44.53%0.03224%0.237CC..  trans-83.1-174.6167.376.26.3000112R141 L172 E173 A174 W179R141-D170 HydrophobicContact CG-CB 3.9Å; D170-L172 PolarHBondContact O-N 3.33Å; D170-L172 VanDerWaalsContact OD1-C 3.31Å; D170-L172 VanDerWaalsContact OD1-CA 3.28Å; D170-L172 WeakPolarHBondContact OD1-CA 3.43Å; D170-L172 WeakPolarHBondContact OD1-CB 3.44Å; D170-L172 PolarHBondContact OD1-N 2.9Å; D170-E173 WeakPolarHBondContact O-CA 3.4Å; D170-E173 PolarHBondContact O-N 3.17Å; D170-E173 PolarHBondContact OD1-N 3.06Å; D170-A174 PolarHBondContact N-O 3.37Å; D170-A174 WeakPolarHBondContact OD1-CB 3.46Å; D170-A174 PolarHBondContact OD1-N 2.89Å; D170-W179 VanDerWaalsContact OD2-CE2 3.32Å; D170-W179 VanDerWaalsContact OD2-CZ2 3.23Å; D170-W179 WeakPolarHBondContact OD2-CZ2 3.41Å; D170-W179 PolarHBondContact OD2-NE1 3.01Å
171K98.1Very high98Very high127 Ų12743.4 Ų43.455%0.55223%0.232SC*.THydrogen-bonded Turntrans-64.7-17179.6-169.9171.8-176.2174.60114.4F139 E173F139-K171 VanDerWaalsContact O-CB 3.24Å; F139-K171 WeakPolarHBondContact O-CB 3.34Å; F139-K171 PolarHBondContact O-N 3.05Å; K171-E173 VanDerWaalsContact C-N 3.32Å
172L97.8Very high98.1Very high102 Ų10243.4 Ų43.453%0.53423%0.226SC..THydrogen-bonded Turntrans-96.713.3172.4-60.6179.8000111.6D170 A174 K204D170-L172 PolarHBondContact O-N 3.33Å; D170-L172 VanDerWaalsContact OD1-C 3.31Å; D170-L172 VanDerWaalsContact OD1-CA 3.28Å; D170-L172 WeakPolarHBondContact OD1-CA 3.43Å; D170-L172 WeakPolarHBondContact OD1-CB 3.44Å; D170-L172 PolarHBondContact OD1-N 2.9Å; L172-A174 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact O-N 3.11Å; L172-K204 HydrophobicContact CD2-CD 4.45Å; L172-K204 WeakPolarHBondContact O-CB 3.39Å; L172-K204 PolarHBondContact O-N 3.34Å
173E98.3Very high98.1Very high92 Ų9242.6 Ų42.643%0.4322%0.222SC..  trans58.615.1-174.3-59.4-169.9-157.600114.5K169 D170 K171 K204K169-E173 HydrophobicContact CD-CB 4Å; K169-E173 HydrophobicContact CD-CG 4.45Å; K169-E173 IonicContact NZ-OE2 3.69Å; K169-E173 PolarHBondContact NZ-OE2 3.33Å; D170-E173 WeakPolarHBondContact O-CA 3.4Å; D170-E173 PolarHBondContact O-N 3.17Å; D170-E173 PolarHBondContact OD1-N 3.06Å; K171-E173 VanDerWaalsContact C-N 3.32Å; E173-K204 HydrophobicContact CB-CB 4.46Å; E173-K204 HydrophobicContact CG-CB 4.49Å
174A98.4Very high98.1Very high9 Ų941.2 Ų41.27%0.07421%0.208CC..  trans-80.7137.5179.600000109.8H145 K169 D170 L172 H178 D203H145-A174 PolarHBondContact NE2-O 3.49Å; K169-A174 WeakPolarHBondContact CA-O 3.39Å; D170-A174 PolarHBondContact N-O 3.37Å; D170-A174 WeakPolarHBondContact OD1-CB 3.46Å; D170-A174 PolarHBondContact OD1-N 2.89Å; L172-A174 PolarHBondContact O-N 3.39Å; L172-A174 VanDerWaalsContact O-N 3.11Å; A174-H178 HydrophobicContact CB-CB 3.92Å; A174-D203 HydrophobicContact CB-CB 4.42Å
175T98.4Very high98.1Very high0 Ų042 Ų420%021%0.213CC..  trans-95.3170.8175.663.20000111.3K169 V177 H178 W179K169-T175 HydrophobicContact CG-CG2 4.07Å; T175-V177 PolarHBondContact O-N 3.28Å; T175-V177 VanDerWaalsContact O-N 3.1Å; T175-H178 PolarHBondContact N-ND1 3.36Å; T175-H178 WeakPolarHBondContact O-CB 3.13Å; T175-H178 PolarHBondContact O-N 3.11Å; T175-H178 PolarHBondContact OG1-ND1 2.8Å; T175-W179 PolarHBondContact O-N 3.29Å
176A98.3Very high98.1Very high1 Ų141.9 Ų41.91%0.00821%0.207CC..Hα-helixtrans-51.2-35.917500000113.2L144 H145 S148 W179 A180 L192L144-A176 HydrophobicContact CD2-CB 3.91Å; L144-A176 HydrophobicContact CG-CB 3.89Å; H145-A176 PolarHBondContact CD2-N 3.47Å; H145-A176 PolarHBondContact NE2-N 3.45Å; S148-A176 WeakPolarHBondContact CB-O 3.17Å; A176-W179 PolarHBondContact O-N 2.91Å; A176-A180 PolarHBondContact O-N 3.36Å; A176-L192 HydrophobicContact CB-CD1 3.88Å; A176-L192 HydrophobicContact CB-CD2 3.83Å; A176-L192 WeakPolarHBondContact O-CD1 3.5Å
177V98.5Very high98.2Very high0 Ų043.6 Ų43.60%022%0.22CC..Hα-helixtrans-63-42.8177.1-174.70000111.4T175 W179 A180 C181 L189 L192 L193 A197 P209T175-V177 PolarHBondContact O-N 3.28Å; T175-V177 VanDerWaalsContact O-N 3.1Å; V177-W179 VanDerWaalsContact C-N 3.28Å; V177-W179 PolarHBondContact O-N 3.4Å; V177-A180 PolarHBondContact O-N 3.24Å; V177-C181 WeakPolarHBondContact O-CB 3.45Å; V177-C181 PolarHBondContact O-N 2.75Å; V177-C181 PolarHBondContact O-SG 3.27Å; V177-L189 HydrophobicContact CG1-CD1 3.65Å; V177-L192 HydrophobicContact CG2-CB 4.21Å; V177-L192 HydrophobicContact CG2-CD1 4.32Å; V177-L193 HydrophobicContact CG1-CD2 4.42Å; V177-A197 HydrophobicContact CG2-CB 3.39Å; V177-P209 HydrophobicContact CB-CG 4.23Å; V177-P209 HydrophobicContact CG1-CB 3.77Å; V177-P209 HydrophobicContact CG1-CG 3.69Å
178H98.8Very high98.2Very high4 Ų440.4 Ų40.42%0.01921%0.205CC..Hα-helixtrans-60.5-41.5175.1-6783000111A174 T175 C181 R182 S201 S207 P209A174-H178 HydrophobicContact CB-CB 3.92Å; T175-H178 PolarHBondContact N-ND1 3.36Å; T175-H178 WeakPolarHBondContact O-CB 3.13Å; T175-H178 PolarHBondContact O-N 3.11Å; T175-H178 PolarHBondContact OG1-ND1 2.8Å; H178-C181 PolarHBondContact O-N 3.01Å; H178-R182 WeakPolarHBondContact O-CB 3.33Å; H178-R182 PolarHBondContact O-N 2.86Å; H178-S201 PolarHBondContact CE1-O 3.29Å; H178-S201 PolarHBondContact NE2-O 3.29Å; H178-S207 PolarHBondContact NE2-O 3.05Å; H178-P209 WeakPolarHBondContact NE2-CD 3.48Å
179W98.6Very high98.3Very high45 Ų4536.6 Ų36.617%0.1719%0.187CC..Hα-helixtrans-69.9-38.3179.4-76.389.8000112.8R141 H145 F149 D170 T175 A176 V177 C181 R182 G183R141-W179 VanDerWaalsContact CD-CZ2 3.41Å; R141-W179 HydrophobicContact CG-CZ2 3.95Å; H145-W179 HydrophobicContact CB-CG 4.14Å; H145-W179 AromaticContact CD2-CD1 3.23Å; H145-W179 AromaticContact CD2-NE1 3.64Å; H145-W179 AromaticContact CG-CD1 3.93Å; F149-W179 WeakPolarHBondContact CA-O 3.34Å; F149-W179 HydrophobicContact CB-CB 4.39Å; F149-W179 HydrophobicContact CB-CE3 3.8Å; F149-W179 AromaticContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CE3 3.81Å; F149-W179 HydrophobicContact CD2-CZ3 4.19Å; F149-W179 AromaticContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CE3 3.91Å; F149-W179 HydrophobicContact CG-CZ3 4.29Å; D170-W179 VanDerWaalsContact OD2-CE2 3.32Å; D170-W179 VanDerWaalsContact OD2-CZ2 3.23Å; D170-W179 WeakPolarHBondContact OD2-CZ2 3.41Å; D170-W179 PolarHBondContact OD2-NE1 3.01Å; T175-W179 PolarHBondContact O-N 3.29Å; A176-W179 PolarHBondContact O-N 2.91Å; V177-W179 VanDerWaalsContact C-N 3.28Å; V177-W179 PolarHBondContact O-N 3.4Å; W179-C181 VanDerWaalsContact C-N 3.34Å; W179-R182 WeakPolarHBondContact O-CB 3.3Å; W179-R182 PolarHBondContact O-N 3.26Å; W179-G183 PolarHBondContact O-N 2.95Å
180A98.6Very high98.3Very high0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-60.3-44.9170.700000111.3S148 A176 V177 R182 G183 G184 S185 A188 L189 L192S148-A180 WeakPolarHBondContact O-CA 3.39Å; A176-A180 PolarHBondContact O-N 3.36Å; V177-A180 PolarHBondContact O-N 3.24Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 3.38Å; A180-G183 PolarHBondContact O-N 3.31Å; A180-G184 PolarHBondContact O-N 3.25Å; A180-S185 PolarHBondContact O-N 3.34Å; A180-A188 HydrophobicContact CB-CB 4.27Å; A180-L189 HydrophobicContact CB-CB 4.25Å; A180-L192 HydrophobicContact CB-CD1 3.85Å
181C98.6Very high98.3Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-64.8-33.8175.3-69.60000113.1V177 H178 W179 V212 A213 T216 H218V177-C181 WeakPolarHBondContact O-CB 3.45Å; V177-C181 PolarHBondContact O-N 2.75Å; V177-C181 PolarHBondContact O-SG 3.27Å; H178-C181 PolarHBondContact O-N 3.01Å; W179-C181 VanDerWaalsContact C-N 3.34Å; C181-V212 HydrophobicContact CB-CB 4.37Å; C181-V212 HydrophobicContact CB-CG1 4.33Å; C181-A213 HydrophobicContact CB-CB 4Å; C181-T216 PolarHBondContact O-OG1 3.43Å; C181-H218 PolarHBondContact O-CD2 3.04Å
182R98.4Very high98.4Very high129 Ų12930.7 Ų30.749%0.48716%0.163SC..Hα-helixtrans-69.6-40.9174.4-17284.3-176.6170.1-6.7111.6F149 H178 W179 A180 V212 T216 H218F149-R182 HydrophobicContact CD2-CB 4.32Å; F149-R182 HydrophobicContact CD2-CG 4.19Å; F149-R182 HydrophobicContact CE2-CG 3.99Å; H178-R182 WeakPolarHBondContact O-CB 3.33Å; H178-R182 PolarHBondContact O-N 2.86Å; W179-R182 WeakPolarHBondContact O-CB 3.3Å; W179-R182 PolarHBondContact O-N 3.26Å; A180-R182 VanDerWaalsContact C-N 3.33Å; A180-R182 PolarHBondContact O-N 3.38Å; R182-V212 HydrophobicContact CB-CG1 3.79Å; R182-V212 HydrophobicContact CG-CG1 4.47Å; R182-T216 HydrophobicContact CG-CG2 4.21Å; R182-H218 PolarHBondContact O-CD2 3.49Å; R182-H218 PolarHBondContact O-NE2 3.21Å
183G97.6Very high98.4Very high28 Ų2827.1 Ų27.129%0.28915%0.145SC..Hα-helixtrans-72.8-28.2178.500000113.7F149 W179 A180F149-G183 WeakPolarHBondContact O-CA 3.3Å; W179-G183 PolarHBondContact O-N 2.95Å; A180-G183 PolarHBondContact O-N 3.31Å
184G97.6Very high98.4Very high20 Ų2030 Ų3021%0.20616%0.158CC..THydrogen-bonded Turntrans82.914178.900000114.5A180 L186 H218A180-G184 PolarHBondContact O-N 3.25Å; G184-L186 PolarHBondContact O-N 2.8Å; G184-H218 WeakPolarHBondContact CA-CD2 3.4Å; G184-H218 PolarHBondContact N-CD2 2.91Å; G184-H218 PolarHBondContact N-NE2 3.2Å
185S97.7Very high98.3Very high23 Ų2334.6 Ų34.616%0.16118%0.178CC..  trans-85100.2178179.40000110.7G151 A180 A188 L189G151-S185 VanDerWaalsContact CA-CB 3.48Å; G151-S185 WeakPolarHBondContact CA-OG 3.24Å; A180-S185 PolarHBondContact O-N 3.34Å; S185-A188 PolarHBondContact O-N 3Å; S185-A188 WeakPolarHBondContact OG-CB 3.46Å; S185-A188 PolarHBondContact OG-N 2.65Å; S185-L189 PolarHBondContact O-N 2.87Å
186L98.4Very high98.2Very high37 Ų3737.3 Ų37.319%0.19421%0.206CC..Hα-helixtrans-57-43.2173.617665.3000112.5G184 A188 L189 Q190 E220 H224G184-L186 PolarHBondContact O-N 2.8Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 3.43Å; L186-L189 HydrophobicContact CD1-CD2 4.44Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 3.27Å; L186-Q190 HydrophobicContact CD1-CG 4.03Å; L186-Q190 HydrophobicContact CG-CG 4.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 WeakPolarHBondContact O-CG 3.47Å; L186-Q190 PolarHBondContact O-N 3.32Å; L186-E220 HydrophobicContact CD2-CB 4.34Å; L186-H224 HydrophobicContact CD1-CB 3.53Å
187P98.6Very high98.2Very high69 Ų6937.6 Ų37.645%0.44821%0.208SC..Hα-helixtrans-61.1-37.8176.4-27.337.4000113.8V153 L191V153-P187 HydrophobicContact CG2-CB 3.78Å; P187-L191 WeakPolarHBondContact O-CB 3.48Å; P187-L191 PolarHBondContact O-N 3.04Å
188A98.6Very high98.1Very high0 Ų043.5 Ų43.50%023%0.234CC..Hα-helixtrans-66.8-43.4175.700000111.4M156 A180 S185 L186 L191 L192M156-A188 HydrophobicContact CE-CB 3.8Å; M156-A188 HydrophobicContact SD-CB 3.53Å; M156-A188 VanDerWaalsContact SD-CB 3.53Å; A180-A188 HydrophobicContact CB-CB 4.27Å; S185-A188 PolarHBondContact O-N 3Å; S185-A188 WeakPolarHBondContact OG-CB 3.46Å; S185-A188 PolarHBondContact OG-N 2.65Å; L186-A188 VanDerWaalsContact C-N 3.32Å; L186-A188 PolarHBondContact O-N 3.43Å; A188-L191 PolarHBondContact O-N 3.2Å; A188-L192 WeakPolarHBondContact O-CG 3.4Å; A188-L192 PolarHBondContact O-N 3.31Å; A188-L192 VanDerWaalsContact O-N 3.09Å
189L98.8Very high98Very high0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-59.1-50.3174.7174.361.8000111.2V177 A180 S185 L186 L191 L192 L193 C221 L225V177-L189 HydrophobicContact CG1-CD1 3.65Å; A180-L189 HydrophobicContact CB-CB 4.25Å; S185-L189 PolarHBondContact O-N 2.87Å; L186-L189 HydrophobicContact CD1-CD2 4.44Å; L186-L189 WeakPolarHBondContact O-CB 3.36Å; L186-L189 PolarHBondContact O-N 3.27Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-L191 PolarHBondContact O-N 3.03Å; L189-L192 PolarHBondContact O-N 3.03Å; L189-L193 HydrophobicContact CD1-CD1 3.96Å; L189-L193 HydrophobicContact CD1-CD2 4.46Å; L189-L193 HydrophobicContact CD1-CG 4.04Å; L189-L193 HydrophobicContact CG-CD1 4.09Å; L189-L193 HydrophobicContact CG-CG 4.48Å; L189-L193 WeakPolarHBondContact O-CG 3.15Å; L189-L193 PolarHBondContact O-N 3.39Å; L189-C221 HydrophobicContact CD2-CB 3.87Å; L189-L225 HydrophobicContact CD1-CD2 4.13Å; L189-L225 HydrophobicContact CD2-CD2 4.35Å; L189-L225 HydrophobicContact CD2-CG 4.07Å
190Q98.6Very high97.9Very high66 Ų6647.9 Ų47.931%0.30826%0.261SS..Hα-helixtrans-58.2-44.3178.4-76.7174.7-2200111.9L186 L192 L193 H194 H224L186-Q190 HydrophobicContact CD1-CG 4.03Å; L186-Q190 HydrophobicContact CG-CG 4.31Å; L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 WeakPolarHBondContact O-CG 3.47Å; L186-Q190 PolarHBondContact O-N 3.32Å; Q190-L192 PolarHBondContact O-N 3.47Å; Q190-L193 PolarHBondContact O-N 3.19Å; Q190-H194 WeakPolarHBondContact O-CB 3.37Å; Q190-H194 PolarHBondContact O-N 3.29Å; Q190-H194 PolarHBondContact O-ND1 2.86Å; Q190-H224 WeakPolarHBondContact CG-NE2 2.97Å
191L98.6Very high97.8Very high19 Ų1948.6 Ų48.610%0.09927%0.267CS..Hα-helixtrans-57.4-48.717617663.7000111.4V153 M156 R157 L160 P187 A188 L189 H194 Q195V153-L191 HydrophobicContact CG1-CB 4.44Å; V153-L191 HydrophobicContact CG1-CD2 3.75Å; M156-L191 HydrophobicContact CB-CD2 3.65Å; M156-L191 HydrophobicContact CE-CD2 4.19Å; R157-L191 HydrophobicContact CG-CD1 4.06Å; R157-L191 HydrophobicContact CG-CD2 3.98Å; L160-L191 HydrophobicContact CD1-CD2 4.34Å; L160-L191 HydrophobicContact CD1-CG 4.3Å; P187-L191 WeakPolarHBondContact O-CB 3.48Å; P187-L191 PolarHBondContact O-N 3.04Å; A188-L191 PolarHBondContact O-N 3.2Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-L191 PolarHBondContact O-N 3.03Å; L191-H194 PolarHBondContact O-N 3.45Å; L191-Q195 HydrophobicContact CD1-CG 4.15Å; L191-Q195 WeakPolarHBondContact O-CB 3.36Å; L191-Q195 WeakPolarHBondContact O-CG 3.47Å; L191-Q195 PolarHBondContact O-N 3.06Å
192L98.6Very high97.8Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-61.7-46.3-179.8-68.9168.1000111.6L144 M156 A176 V177 A180 A188 L189 Q190 H194 Q195 G196 A197L144-L192 HydrophobicContact CD1-CD2 4.26Å; L144-L192 HydrophobicContact CD2-CD2 4.27Å; L144-L192 HydrophobicContact CG-CD2 4.45Å; M156-L192 HydrophobicContact CE-CD1 3.92Å; M156-L192 HydrophobicContact CE-CD2 3.87Å; M156-L192 HydrophobicContact CE-CG 3.62Å; A176-L192 HydrophobicContact CB-CD1 3.88Å; A176-L192 HydrophobicContact CB-CD2 3.83Å; A176-L192 WeakPolarHBondContact O-CD1 3.5Å; V177-L192 HydrophobicContact CG2-CB 4.21Å; V177-L192 HydrophobicContact CG2-CD1 4.32Å; A180-L192 HydrophobicContact CB-CD1 3.85Å; A188-L192 WeakPolarHBondContact O-CG 3.4Å; A188-L192 PolarHBondContact O-N 3.31Å; A188-L192 VanDerWaalsContact O-N 3.09Å; L189-L192 PolarHBondContact O-N 3.03Å; Q190-L192 PolarHBondContact O-N 3.47Å; L192-H194 PolarHBondContact O-N 3.46Å; L192-Q195 CarbonylContact O-C 3.58Å; L192-Q195 PolarHBondContact O-N 2.77Å; L192-Q195 VanDerWaalsContact O-N 3.14Å; L192-G196 PolarHBondContact O-N 2.83Å; L192-A197 HydrophobicContact CB-CB 3.89Å; L192-A197 WeakPolarHBondContact O-CB 3.41Å; L192-A197 PolarHBondContact O-N 3.36Å
193L98.1Very high97.8Very high27 Ų2747.7 Ų47.714%0.14126%0.264CS..Hα-helixtrans-65-40179.6-62.7-179.2000112V177 L189 Q190 Q195 G196 A197 F199 L225V177-L193 HydrophobicContact CG1-CD2 4.42Å; L189-L193 HydrophobicContact CD1-CD1 3.96Å; L189-L193 HydrophobicContact CD1-CD2 4.46Å; L189-L193 HydrophobicContact CD1-CG 4.04Å; L189-L193 HydrophobicContact CG-CD1 4.09Å; L189-L193 HydrophobicContact CG-CG 4.48Å; L189-L193 WeakPolarHBondContact O-CG 3.15Å; L189-L193 PolarHBondContact O-N 3.39Å; Q190-L193 PolarHBondContact O-N 3.19Å; L193-Q195 PolarHBondContact O-N 3.39Å; L193-G196 PolarHBondContact O-N 3.22Å; L193-A197 WeakPolarHBondContact CD2-O 3.48Å; L193-F199 HydrophobicContact CD2-CB 3.92Å; L193-F199 HydrophobicContact CD2-CD1 4.32Å; L193-L225 HydrophobicContact CD1-CD2 4.44Å
194H97.9Very high97.8Very high152 Ų15251.8 Ų51.870%0.70427%0.274SS*.Hα-helixtrans-62.5-30.9173.7-70.6165.2000112.8Q190 L191 L192 G196Q190-H194 WeakPolarHBondContact O-CB 3.37Å; Q190-H194 PolarHBondContact O-N 3.29Å; Q190-H194 PolarHBondContact O-ND1 2.86Å; L191-H194 PolarHBondContact O-N 3.45Å; L192-H194 PolarHBondContact O-N 3.46Å; H194-G196 PolarHBondContact O-N 3.12Å
195Q97.6Very high97.8Very high107 Ų10754.8 Ų54.850%0.529%0.285SS..THydrogen-bonded Turntrans-84.710.1176.3-64.2-71.8-8.400112.7L160 I166 L191 L192 L193L160-Q195 HydrophobicContact CD1-CB 4.41Å; L160-Q195 HydrophobicContact CD1-CG 4Å; I166-Q195 HydrophobicContact CD1-CB 3.77Å; I166-Q195 VanDerWaalsContact CD1-O 3.24Å; I166-Q195 WeakPolarHBondContact CD1-O 3.29Å; L191-Q195 HydrophobicContact CD1-CG 4.15Å; L191-Q195 WeakPolarHBondContact O-CB 3.36Å; L191-Q195 WeakPolarHBondContact O-CG 3.47Å; L191-Q195 PolarHBondContact O-N 3.06Å; L192-Q195 CarbonylContact O-C 3.58Å; L192-Q195 PolarHBondContact O-N 2.77Å; L192-Q195 VanDerWaalsContact O-N 3.14Å; L193-Q195 PolarHBondContact O-N 3.39Å
196G96.3Very high97.8Very high57 Ų5758.3 Ų58.359%0.58830%0.299SS*.THydrogen-bonded Turntrans88.513.8173.700000115L192 L193 H194L192-G196 PolarHBondContact O-N 2.83Å; L193-G196 PolarHBondContact O-N 3.22Å; H194-G196 PolarHBondContact O-N 3.12Å
197A97.6Very high97.8Very high7 Ų756.5 Ų56.56%0.05829%0.29CS..  trans-64.1142.7176.100000112I166 E167 V177 L192 L193I166-A197 HydrophobicContact CG2-CB 3.34Å; E167-A197 VanDerWaalsContact OE1-CA 3.28Å; E167-A197 WeakPolarHBondContact OE1-CA 3.25Å; V177-A197 HydrophobicContact CG2-CB 3.39Å; L192-A197 HydrophobicContact CB-CB 3.89Å; L192-A197 WeakPolarHBondContact O-CB 3.41Å; L192-A197 PolarHBondContact O-N 3.36Å; L193-A197 WeakPolarHBondContact CD2-O 3.48Å
198K97.5Very high97.8Very high123 Ų12353.7 Ų53.754%0.53527%0.271SS..  trans-84.7118.9-178.9-65.7176.1-176.2173.70111.2E167 T200 S201E167-K198 PolarHBondContact OE1-N 2.93Å; K198-T200 PolarHBondContact O-N 3.39Å; K198-S201 WeakPolarHBondContact CB-OG 3.41Å; K198-S201 PolarHBondContact O-OG 2.96Å
199F95.7Very high97.8Very high54 Ų5453.7 Ų53.724%0.23727%0.271CS..THydrogen-bonded Turntrans-78.7-5.3170.463.6-98000113.8L193 P209 L225 C228 A230L193-F199 HydrophobicContact CD2-CB 3.92Å; L193-F199 HydrophobicContact CD2-CD1 4.32Å; F199-P209 VanDerWaalsContact O-CD 3.26Å; F199-P209 WeakPolarHBondContact O-CD 3.27Å; F199-L225 HydrophobicContact CB-CD2 3.68Å; F199-C228 HydrophobicContact CD1-CB 4.34Å; F199-C228 HydrophobicContact CE1-CB 4.25Å; F199-C228 WeakPolarHBondContact CE1-O 3.48Å; F199-C228 WeakPolarHBondContact CZ-O 3.2Å; F199-A230 HydrophobicContact CD2-CB 3.98Å; F199-A230 HydrophobicContact CE2-CB 4.29Å
200T96.8Very high97.8Very high87 Ų8753.8 Ų53.853%0.53427%0.272SS..THydrogen-bonded Turntrans-95.7-4.4179.8600000113.5K198K198-T200 PolarHBondContact O-N 3.39Å
201S96.2Very high97.8Very high16 Ų1650.6 Ų50.611%0.11226%0.257CS..  trans-56.9149.6-179.6-68.70000111.3E167 H178 K198 P209E167-S201 PolarHBondContact OE2-OG 3.17Å; H178-S201 PolarHBondContact CE1-O 3.29Å; H178-S201 PolarHBondContact NE2-O 3.29Å; K198-S201 WeakPolarHBondContact CB-OG 3.41Å; K198-S201 PolarHBondContact O-OG 2.96Å; S201-P209 WeakPolarHBondContact O-CD 3.36Å
202R97.9Very high97.8Very high91 Ų9150.2 Ų50.234%0.34326%0.255SS..  trans-117.7129.3-176.4-60.5-71.7-178.3109.40.1109.7K169 Q206 S207 R235K169-R202 PolarHBondContact NZ-O 3.37Å; R202-Q206 VanDerWaalsContact CD-O 3.24Å; R202-Q206 WeakPolarHBondContact CD-O 3.26Å; R202-Q206 PolarHBondContact NH1-O 3.49Å; R202-S207 WeakPolarHBondContact CA-O 3.27Å; R202-R235 PolarHBondContact NH1-O 3.41Å
203D98.3Very high97.7Very high18 Ų1850.2 Ų50.210%0.09626%0.255CS..  trans-79.2-177.6170.377.17.9000111.7A174 L205 Q206 S207A174-D203 HydrophobicContact CB-CB 4.42Å; D203-L205 PolarHBondContact O-N 3.39Å; D203-L205 VanDerWaalsContact O-N 3.15Å; D203-L205 WeakPolarHBondContact OD1-CA 3.46Å; D203-L205 WeakPolarHBondContact OD1-CB 3.22Å; D203-L205 PolarHBondContact OD1-N 3.12Å; D203-Q206 WeakPolarHBondContact O-CA 3.47Å; D203-Q206 PolarHBondContact O-N 2.88Å; D203-Q206 PolarHBondContact OD1-N 3.24Å; D203-S207 VanDerWaalsContact CG-CB 3.5Å; D203-S207 PolarHBondContact N-O 3.16Å; D203-S207 WeakPolarHBondContact OD1-CA 3.22Å; D203-S207 WeakPolarHBondContact OD1-CB 3.43Å; D203-S207 PolarHBondContact OD1-N 2.99Å; D203-S207 PolarHBondContact OD1-OG 3.4Å; D203-S207 WeakPolarHBondContact OD2-CB 3.48Å; D203-S207 PolarHBondContact OD2-OG 3.47Å
204K98Very high97.7Very high114 Ų11448.9 Ų48.950%0.49625%0.248SC..THydrogen-bonded Turntrans-62.9-20.1-178.3-175.1172.8-175.8175.40113.9L172 E173 Q206L172-K204 HydrophobicContact CD2-CD 4.45Å; L172-K204 WeakPolarHBondContact O-CB 3.39Å; L172-K204 PolarHBondContact O-N 3.34Å; E173-K204 HydrophobicContact CB-CB 4.46Å; E173-K204 HydrophobicContact CG-CB 4.49Å; K204-Q206 VanDerWaalsContact C-N 3.28Å
205L97.4Very high97.7Very high84 Ų8444.5 Ų44.544%0.4423%0.225SC..THydrogen-bonded Turntrans-94.115.2172.8-60.2179.2000111.4D203 S207 D236 R237D203-L205 PolarHBondContact O-N 3.39Å; D203-L205 VanDerWaalsContact O-N 3.15Å; D203-L205 WeakPolarHBondContact OD1-CA 3.46Å; D203-L205 WeakPolarHBondContact OD1-CB 3.22Å; D203-L205 PolarHBondContact OD1-N 3.12Å; L205-S207 WeakPolarHBondContact CB-OG 3.38Å; L205-S207 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact O-N 3.09Å; L205-D236 WeakPolarHBondContact O-CB 3.43Å; L205-R237 WeakPolarHBondContact O-CB 3.31Å; L205-R237 PolarHBondContact O-N 3.2Å
206Q98.3Very high97.6Very high96 Ų9641 Ų4145%0.44921%0.211SC..  trans54.522.5-172.3-60.6-71.31.100113.2R202 D203 K204 D236 R237R202-Q206 VanDerWaalsContact CD-O 3.24Å; R202-Q206 WeakPolarHBondContact CD-O 3.26Å; R202-Q206 PolarHBondContact NH1-O 3.49Å; D203-Q206 WeakPolarHBondContact O-CA 3.47Å; D203-Q206 PolarHBondContact O-N 2.88Å; D203-Q206 PolarHBondContact OD1-N 3.24Å; K204-Q206 VanDerWaalsContact C-N 3.28Å; Q206-D236 WeakPolarHBondContact O-CA 3.31Å; Q206-R237 HydrophobicContact CB-CB 4.19Å; Q206-R237 HydrophobicContact CG-CB 4.27Å
207S98.3Very high97.6Very high0 Ų039.2 Ų39.20%019%0.193CC..  trans-78.9140.5179.6-35.30000109.3H178 R202 D203 L205 R215H178-S207 PolarHBondContact NE2-O 3.05Å; R202-S207 WeakPolarHBondContact CA-O 3.27Å; D203-S207 VanDerWaalsContact CG-CB 3.5Å; D203-S207 PolarHBondContact N-O 3.16Å; D203-S207 WeakPolarHBondContact OD1-CA 3.22Å; D203-S207 WeakPolarHBondContact OD1-CB 3.43Å; D203-S207 PolarHBondContact OD1-N 2.99Å; D203-S207 PolarHBondContact OD1-OG 3.4Å; D203-S207 WeakPolarHBondContact OD2-CB 3.48Å; D203-S207 PolarHBondContact OD2-OG 3.47Å; L205-S207 WeakPolarHBondContact CB-OG 3.38Å; L205-S207 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact O-N 3.09Å; S207-R215 PolarHBondContact OG-NH1 3.36Å; S207-R215 PolarHBondContact OG-NH2 2.99Å
208T98.5Very high97.6Very high9 Ų941.7 Ų41.76%0.05520%0.204CC..  trans-84.2164.416764.60000110.5L210 H211 V212 A234T208-L210 PolarHBondContact O-N 3.08Å; T208-L210 VanDerWaalsContact O-N 3.11Å; T208-L210 PolarHBondContact OG1-N 2.82Å; T208-H211 PolarHBondContact N-ND1 3.49Å; T208-H211 WeakPolarHBondContact O-CB 3.46Å; T208-H211 PolarHBondContact O-N 3.42Å; T208-H211 PolarHBondContact OG1-N 2.76Å; T208-H211 PolarHBondContact OG1-ND1 2.87Å; T208-V212 PolarHBondContact O-N 3.02Å; T208-A234 HydrophobicContact CG2-CB 4.02Å
209P98.5Very high97.6Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-51.3-31.8168.7-29.735.2000114V177 H178 F199 S201 V212 A213 L225V177-P209 HydrophobicContact CB-CG 4.23Å; V177-P209 HydrophobicContact CG1-CB 3.77Å; V177-P209 HydrophobicContact CG1-CG 3.69Å; H178-P209 WeakPolarHBondContact NE2-CD 3.48Å; F199-P209 VanDerWaalsContact O-CD 3.26Å; F199-P209 WeakPolarHBondContact O-CD 3.27Å; S201-P209 WeakPolarHBondContact O-CD 3.36Å; P209-V212 PolarHBondContact O-N 2.93Å; P209-A213 PolarHBondContact O-N 3.06Å; P209-L225 HydrophobicContact CB-CD1 3.97Å; P209-L225 HydrophobicContact CB-CD2 4.36Å
210L98.5Very high97.7Very high2 Ų239.9 Ų39.91%0.0120%0.199CC..Hα-helixtrans-64.7-44.1175.7-179.959.5000111.8T208 V212 A213 V214 A222 L225 I226 A230 A232 P242T208-L210 PolarHBondContact O-N 3.08Å; T208-L210 VanDerWaalsContact O-N 3.11Å; T208-L210 PolarHBondContact OG1-N 2.82Å; L210-V212 VanDerWaalsContact C-N 3.28Å; L210-V212 PolarHBondContact O-N 3.44Å; L210-A213 PolarHBondContact O-N 3.28Å; L210-V214 HydrophobicContact CD1-CG2 4.19Å; L210-V214 WeakPolarHBondContact O-CB 3.43Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 2.89Å; L210-A222 HydrophobicContact CD1-CB 3.8Å; L210-L225 HydrophobicContact CB-CD1 4.1Å; L210-L225 HydrophobicContact CD1-CB 4.4Å; L210-L225 HydrophobicContact CD1-CD1 4.42Å; L210-I226 HydrophobicContact CD1-CD1 4.2Å; L210-I226 HydrophobicContact CD1-CG1 4.02Å; L210-I226 HydrophobicContact CD2-CG1 4.01Å; L210-A230 HydrophobicContact CB-CB 4.44Å; L210-A230 HydrophobicContact CD2-CB 4.2Å; L210-A232 HydrophobicContact CD2-CB 4.47Å; L210-P242 HydrophobicContact CD2-CB 4.45Å; L210-P242 HydrophobicContact CD2-CG 3.95Å; L210-P242 HydrophobicContact CG-CB 4.35Å; L210-P242 HydrophobicContact CG-CG 4.04Å
211H98.5Very high97.8Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-57.2-45.5172.8-70.384.4000110.7T208 V214 R215 A234 D240 P242 D245T208-H211 PolarHBondContact N-ND1 3.49Å; T208-H211 WeakPolarHBondContact O-CB 3.46Å; T208-H211 PolarHBondContact O-N 3.42Å; T208-H211 PolarHBondContact OG1-N 2.76Å; T208-H211 PolarHBondContact OG1-ND1 2.87Å; H211-V214 PolarHBondContact O-N 3.02Å; H211-R215 WeakPolarHBondContact O-CB 3.38Å; H211-R215 VanDerWaalsContact O-CG 3.29Å; H211-R215 WeakPolarHBondContact O-CG 3.34Å; H211-R215 PolarHBondContact O-N 3.22Å; H211-A234 PolarHBondContact CE1-O 3.17Å; H211-A234 PolarHBondContact NE2-O 2.91Å; H211-D240 PolarHBondContact NE2-O 3.34Å; H211-P242 WeakPolarHBondContact NE2-CD 3.49Å; H211-D245 IonicContact CD2-OD2 2.8Å; H211-D245 PolarHBondContact CD2-OD2 3.34Å
212V98.4Very high97.9Very high10 Ų1035 Ų356%0.06117%0.169CC..Hα-helixtrans-61.2-49.7179.7-179.80000111.3C181 R182 T208 P209 L210 V214 R215 T216C181-V212 HydrophobicContact CB-CB 4.37Å; C181-V212 HydrophobicContact CB-CG1 4.33Å; R182-V212 HydrophobicContact CB-CG1 3.79Å; R182-V212 HydrophobicContact CG-CG1 4.47Å; T208-V212 PolarHBondContact O-N 3.02Å; P209-V212 PolarHBondContact O-N 2.93Å; L210-V212 VanDerWaalsContact C-N 3.28Å; L210-V212 PolarHBondContact O-N 3.44Å; V212-V214 VanDerWaalsContact C-N 3.26Å; V212-V214 PolarHBondContact O-N 3.33Å; V212-R215 PolarHBondContact O-N 3.34Å; V212-T216 PolarHBondContact O-N 3.07Å; V212-T216 PolarHBondContact O-OG1 3.18Å
213A98.3Very high97.9Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-58.1-39.9177.800000111.9C181 P209 L210 T216 G217 H218 C221 A222 L225C181-A213 HydrophobicContact CB-CB 4Å; P209-A213 PolarHBondContact O-N 3.06Å; L210-A213 PolarHBondContact O-N 3.28Å; A213-T216 PolarHBondContact O-OG1 3.3Å; A213-G217 PolarHBondContact O-N 2.9Å; A213-H218 PolarHBondContact O-N 3.29Å; A213-C221 HydrophobicContact CB-CB 4.14Å; A213-A222 HydrophobicContact CB-CB 4.09Å; A213-L225 HydrophobicContact CB-CD1 4.42Å
214V98.1Very high97.9Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-65.7-52.8177.1168.20000111.3L210 H211 V212 T216 G217 A222 P242 D245 A246 I249 M254 L258L210-V214 HydrophobicContact CD1-CG2 4.19Å; L210-V214 WeakPolarHBondContact O-CB 3.43Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 2.89Å; H211-V214 PolarHBondContact O-N 3.02Å; V212-V214 VanDerWaalsContact C-N 3.26Å; V212-V214 PolarHBondContact O-N 3.33Å; V214-T216 PolarHBondContact O-N 2.98Å; V214-G217 WeakPolarHBondContact O-CA 3.45Å; V214-G217 PolarHBondContact O-N 3.03Å; V214-A222 HydrophobicContact CG2-CB 4.32Å; V214-P242 WeakPolarHBondContact CG1-O 3.35Å; V214-P242 HydrophobicContact CG2-CB 4.15Å; V214-D245 HydrophobicContact CG1-CB 3.84Å; V214-A246 HydrophobicContact CG1-CB 3.75Å; V214-I249 WeakPolarHBondContact O-CD1 3.23Å; V214-M254 HydrophobicContact CB-CG 4.32Å; V214-M254 HydrophobicContact CB-SD 4.49Å; V214-M254 HydrophobicContact CG1-CG 3.91Å; V214-M254 HydrophobicContact CG2-CE 4.34Å; V214-M254 HydrophobicContact CG2-CG 3.97Å; V214-M254 HydrophobicContact CG2-SD 3.75Å; V214-L258 HydrophobicContact CG1-CD1 4.48Å; V214-L258 HydrophobicContact CG2-CD1 4.24Å
215R97.1Very high98Very high59 Ų5929.8 Ų29.822%0.22315%0.149CC..Hα-helixtrans-58.5-32.1179.5-69.7176.8-155.8148.4-1112.7S207 H211 V212 D236 D245S207-R215 PolarHBondContact OG-NH1 3.36Å; S207-R215 PolarHBondContact OG-NH2 2.99Å; H211-R215 WeakPolarHBondContact O-CB 3.38Å; H211-R215 VanDerWaalsContact O-CG 3.29Å; H211-R215 WeakPolarHBondContact O-CG 3.34Å; H211-R215 PolarHBondContact O-N 3.22Å; V212-R215 PolarHBondContact O-N 3.34Å; R215-D236 IonicContact CZ-OD2 3.52Å; R215-D236 IonicContact NH2-OD2 2.75Å; R215-D236 PolarHBondContact NH2-OD2 3.38Å; R215-D245 HydrophobicContact CG-CB 3.86Å; R215-D245 VanDerWaalsContact CG-CG 3.46Å; R215-D245 WeakPolarHBondContact CG-OD2 3.25Å; R215-D245 IonicContact CZ-OD2 3.43Å; R215-D245 IonicContact NE-OD1 2.65Å; R215-D245 PolarHBondContact NE-OD1 3.21Å; R215-D245 IonicContact NE-OD2 3.15Å; R215-D245 PolarHBondContact NE-OD2 3.33Å; R215-D245 IonicContact NH2-OD2 3Å
216T96.4Very high98Very high33 Ų3326.8 Ų26.820%0.20213%0.133CC..Hα-helixtrans-89.1-5.8175.4520000114.3C181 R182 V212 A213 V214 H218C181-T216 PolarHBondContact O-OG1 3.43Å; R182-T216 HydrophobicContact CG-CG2 4.21Å; V212-T216 PolarHBondContact O-N 3.07Å; V212-T216 PolarHBondContact O-OG1 3.18Å; A213-T216 PolarHBondContact O-OG1 3.3Å; V214-T216 PolarHBondContact O-N 2.98Å; T216-H218 PolarHBondContact OG1-CD2 3.05Å
217G96.1Very high97.9Very high20 Ų2027.9 Ų27.921%0.20614%0.138CC..THydrogen-bonded Turntrans79.214.8175.600000115.2A213 V214 C219A213-G217 PolarHBondContact O-N 2.9Å; V214-G217 WeakPolarHBondContact O-CA 3.45Å; V214-G217 PolarHBondContact O-N 3.03Å; G217-C219 PolarHBondContact O-N 3.23Å
218H97.8Very high97.9Very high60 Ų6030.3 Ų30.328%0.27816%0.155SC..  trans-84.281.5-175.7-64.6-47.8000110.9C181 R182 G184 A213 T216 E220 C221 A222C181-H218 PolarHBondContact O-CD2 3.04Å; R182-H218 PolarHBondContact O-CD2 3.49Å; R182-H218 PolarHBondContact O-NE2 3.21Å; G184-H218 WeakPolarHBondContact CA-CD2 3.4Å; G184-H218 PolarHBondContact N-CD2 2.91Å; G184-H218 PolarHBondContact N-NE2 3.2Å; A213-H218 PolarHBondContact O-N 3.29Å; T216-H218 PolarHBondContact OG1-CD2 3.05Å; H218-E220 VanDerWaalsContact C-N 3.33Å; H218-E220 PolarHBondContact O-N 2.9Å; H218-C221 HydrophobicContact CB-CB 4.27Å; H218-C221 PolarHBondContact O-N 3.24Å; H218-A222 PolarHBondContact O-N 2.99Å
219C97Very high97.8Very high17 Ų1732.4 Ų32.412%0.11518%0.179CC..Hα-helixtrans-57.6-40.7-172.7-62.30000113.2G217 A222 E223 K253 M254G217-C219 PolarHBondContact O-N 3.23Å; C219-A222 PolarHBondContact O-N 2.95Å; C219-E223 VanDerWaalsContact O-CB 3.3Å; C219-E223 WeakPolarHBondContact O-CB 3.44Å; C219-E223 PolarHBondContact O-N 3.45Å; C219-K253 HydrophobicContact CB-CD 4.45Å; C219-M254 HydrophobicContact CB-CE 4.24Å
220E98.1Very high97.7Very high121 Ų12133 Ų3357%0.56518%0.183SC*.Hα-helixtrans-65.8-40.9-177.6-65.6170.8-177.100111.8L186 H218 H224L186-E220 HydrophobicContact CD2-CB 4.34Å; H218-E220 VanDerWaalsContact C-N 3.33Å; H218-E220 PolarHBondContact O-N 2.9Å; E220-H224 WeakPolarHBondContact O-CB 3.35Å; E220-H224 PolarHBondContact O-N 3.27Å
221C98.5Very high97.7Very high0 Ų037.3 Ų37.30%021%0.206CC..Hα-helixtrans-65.8-44173.7-70.80000111.3L189 A213 H218 H224 L225L189-C221 HydrophobicContact CD2-CB 3.87Å; A213-C221 HydrophobicContact CB-CB 4.14Å; H218-C221 HydrophobicContact CB-CB 4.27Å; H218-C221 PolarHBondContact O-N 3.24Å; C221-H224 PolarHBondContact O-N 3.12Å; C221-L225 VanDerWaalsContact O-CG 3.3Å; C221-L225 WeakPolarHBondContact O-CG 3.26Å; C221-L225 PolarHBondContact O-N 2.92Å
222A98.3Very high97.6Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-61.9-4617800000111.8L210 A213 V214 H218 C219 H224 L225 I226 M254 L257L210-A222 HydrophobicContact CD1-CB 3.8Å; A213-A222 HydrophobicContact CB-CB 4.09Å; V214-A222 HydrophobicContact CG2-CB 4.32Å; H218-A222 PolarHBondContact O-N 2.99Å; C219-A222 PolarHBondContact O-N 2.95Å; A222-H224 PolarHBondContact O-N 2.79Å; A222-L225 PolarHBondContact O-N 3.14Å; A222-I226 WeakPolarHBondContact O-CD1 3.5Å; A222-I226 VanDerWaalsContact O-CG1 3.27Å; A222-I226 WeakPolarHBondContact O-CG1 3.32Å; A222-I226 PolarHBondContact O-N 2.84Å; A222-M254 HydrophobicContact CB-CE 4Å; A222-M254 HydrophobicContact CB-SD 3.75Å; A222-L257 HydrophobicContact CB-CD2 3.99Å
223E98.3Very high97.5Very high73 Ų7339.8 Ų39.834%0.34122%0.22SC..Hα-helixtrans-59.2-47.9176.9-175.1161.9-146.300111.4C219 L225 I226 H227 L257 Y261C219-E223 VanDerWaalsContact O-CB 3.3Å; C219-E223 WeakPolarHBondContact O-CB 3.44Å; C219-E223 PolarHBondContact O-N 3.45Å; E223-L225 PolarHBondContact O-N 3.36Å; E223-I226 PolarHBondContact O-N 2.97Å; E223-H227 VanDerWaalsContact CG-CE1 3.48Å; E223-H227 WeakPolarHBondContact CG-CE1 3.35Å; E223-H227 PolarHBondContact O-N 2.95Å; E223-H227 PolarHBondContact O-ND1 3.02Å; E223-H227 IonicContact OE1-CE1 3.21Å; E223-L257 HydrophobicContact CB-CD1 3.83Å; E223-L257 HydrophobicContact CB-CD2 4.22Å; E223-L257 HydrophobicContact CG-CD1 4.02Å; E223-Y261 HydrophobicContact CG-CE2 4.22Å; E223-Y261 PolarHBondContact OE1-OH 3.2Å
224H98.5Very high97.5Very high41 Ų4140 Ų4019%0.1922%0.222CC..Hα-helixtrans-61.8-43.9178.9-170.767.7000112.3L186 Q190 E220 C221 A222 I226 H227 C228L186-H224 HydrophobicContact CD1-CB 3.53Å; Q190-H224 WeakPolarHBondContact CG-NE2 2.97Å; E220-H224 WeakPolarHBondContact O-CB 3.35Å; E220-H224 PolarHBondContact O-N 3.27Å; C221-H224 PolarHBondContact O-N 3.12Å; A222-H224 PolarHBondContact O-N 2.79Å; H224-I226 VanDerWaalsContact C-N 3.32Å; H224-I226 PolarHBondContact O-N 3.3Å; H224-H227 WeakPolarHBondContact O-CB 3.39Å; H224-H227 PolarHBondContact O-N 2.88Å; H224-H227 VanDerWaalsContact O-N 3.16Å; H224-C228 PolarHBondContact O-N 3.37Å; H224-C228 PolarHBondContact O-SG 2.96Å
225L98.4Very high97.4Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-58.6-43.4175.5-75.2172.3000112.3L189 L193 F199 P209 L210 A213 C221 A222 E223 H227 C228 G229 A230L189-L225 HydrophobicContact CD1-CD2 4.13Å; L189-L225 HydrophobicContact CD2-CD2 4.35Å; L189-L225 HydrophobicContact CD2-CG 4.07Å; L193-L225 HydrophobicContact CD1-CD2 4.44Å; F199-L225 HydrophobicContact CB-CD2 3.68Å; P209-L225 HydrophobicContact CB-CD1 3.97Å; P209-L225 HydrophobicContact CB-CD2 4.36Å; L210-L225 HydrophobicContact CB-CD1 4.1Å; L210-L225 HydrophobicContact CD1-CB 4.4Å; L210-L225 HydrophobicContact CD1-CD1 4.42Å; A213-L225 HydrophobicContact CB-CD1 4.42Å; C221-L225 VanDerWaalsContact O-CG 3.3Å; C221-L225 WeakPolarHBondContact O-CG 3.26Å; C221-L225 PolarHBondContact O-N 2.92Å; A222-L225 PolarHBondContact O-N 3.14Å; E223-L225 PolarHBondContact O-N 3.36Å; L225-H227 VanDerWaalsContact C-N 3.32Å; L225-H227 PolarHBondContact O-N 3.27Å; L225-C228 CarbonylContact O-C 3.56Å; L225-C228 WeakPolarHBondContact O-CB 3.21Å; L225-C228 PolarHBondContact O-N 3.38Å; L225-G229 PolarHBondContact O-N 3.48Å; L225-A230 HydrophobicContact CB-CB 3.96Å; L225-A230 WeakPolarHBondContact O-CB 3.45Å; L225-A230 PolarHBondContact O-N 2.9Å
226I97.8Very high97.5Very high21 Ų2142.9 Ų42.911%0.10823%0.234CC..Hα-helixtrans-62.5-41.3177.2-68.3164.3000110.6L210 A222 E223 H224 C228 G229 L257 L258 Y261L210-I226 HydrophobicContact CD1-CD1 4.2Å; L210-I226 HydrophobicContact CD1-CG1 4.02Å; L210-I226 HydrophobicContact CD2-CG1 4.01Å; A222-I226 WeakPolarHBondContact O-CD1 3.5Å; A222-I226 VanDerWaalsContact O-CG1 3.27Å; A222-I226 WeakPolarHBondContact O-CG1 3.32Å; A222-I226 PolarHBondContact O-N 2.84Å; E223-I226 PolarHBondContact O-N 2.97Å; H224-I226 VanDerWaalsContact C-N 3.32Å; H224-I226 PolarHBondContact O-N 3.3Å; I226-C228 VanDerWaalsContact C-N 3.27Å; I226-C228 PolarHBondContact O-N 3.17Å; I226-G229 WeakPolarHBondContact O-CA 3.13Å; I226-G229 PolarHBondContact O-N 3.27Å; I226-L257 HydrophobicContact CD1-CD2 4.11Å; I226-L258 HydrophobicContact CD1-CD2 4Å; I226-Y261 HydrophobicContact CD1-CD2 4.16Å; I226-Y261 HydrophobicContact CD1-CG 4.48Å; I226-Y261 HydrophobicContact CG2-CD1 3.81Å; I226-Y261 HydrophobicContact CG2-CD2 4.13Å; I226-Y261 HydrophobicContact CG2-CG 3.57Å
227H97.3Very high97.6Very high119 Ų11949 Ų4955%0.55125%0.253SS*.Hα-helixtrans-64.1-33175.3-74.454.2000112.5E223 H224 L225 G229 Y261E223-H227 VanDerWaalsContact CG-CE1 3.48Å; E223-H227 WeakPolarHBondContact CG-CE1 3.35Å; E223-H227 PolarHBondContact O-N 2.95Å; E223-H227 PolarHBondContact O-ND1 3.02Å; E223-H227 IonicContact OE1-CE1 3.21Å; H224-H227 WeakPolarHBondContact O-CB 3.39Å; H224-H227 PolarHBondContact O-N 2.88Å; H224-H227 VanDerWaalsContact O-N 3.16Å; L225-H227 VanDerWaalsContact C-N 3.32Å; L225-H227 PolarHBondContact O-N 3.27Å; H227-G229 PolarHBondContact O-N 3.28Å; H227-Y261 AromaticContact CE1-CE1 3.67Å; H227-Y261 AromaticContact CE1-CZ 3.47Å; H227-Y261 VanDerWaalsContact CE1-CZ 3.47Å; H227-Y261 PolarHBondContact CE1-OH 3.48Å
228C96.8Very high97.6Very high51 Ų5152.5 Ų52.535%0.34527%0.267SS..THydrogen-bonded Turntrans-72.6-2.9171.9-63.80000113.4F199 H224 L225 I226F199-C228 HydrophobicContact CD1-CB 4.34Å; F199-C228 HydrophobicContact CE1-CB 4.25Å; F199-C228 WeakPolarHBondContact CE1-O 3.48Å; F199-C228 WeakPolarHBondContact CZ-O 3.2Å; H224-C228 PolarHBondContact O-N 3.37Å; H224-C228 PolarHBondContact O-SG 2.96Å; L225-C228 CarbonylContact O-C 3.56Å; L225-C228 WeakPolarHBondContact O-CB 3.21Å; L225-C228 PolarHBondContact O-N 3.38Å; I226-C228 VanDerWaalsContact C-N 3.27Å; I226-C228 PolarHBondContact O-N 3.17Å
229G96.8Very high97.6Very high54 Ų5449.8 Ų49.856%0.55726%0.255SS*.THydrogen-bonded Turntrans92.221.5179.200000114.4L225 I226 H227 D231L225-G229 PolarHBondContact O-N 3.48Å; I226-G229 WeakPolarHBondContact O-CA 3.13Å; I226-G229 PolarHBondContact O-N 3.27Å; H227-G229 PolarHBondContact O-N 3.28Å; G229-D231 PolarHBondContact O-N 3.4Å
230A97.6Very high97.6Very high11 Ų1149.2 Ų49.29%0.09125%0.251CS..  trans-61.9134.1170.900000110.8F199 L210 L225 A232F199-A230 HydrophobicContact CD2-CB 3.98Å; F199-A230 HydrophobicContact CE2-CB 4.29Å; L210-A230 HydrophobicContact CB-CB 4.44Å; L210-A230 HydrophobicContact CD2-CB 4.2Å; L225-A230 HydrophobicContact CB-CB 3.96Å; L225-A230 WeakPolarHBondContact O-CB 3.45Å; L225-A230 PolarHBondContact O-N 2.9Å; A230-A232 PolarHBondContact O-N 3.13Å; A230-A232 VanDerWaalsContact O-N 3.12Å
231D97.2Very high97.6Very high93 Ų9343.5 Ų43.550%0.49722%0.224SC..  trans-69.9107.6178.4176.814.1000110.9G229 N233 A234G229-D231 PolarHBondContact O-N 3.4Å; D231-N233 PolarHBondContact O-N 3.38Å; D231-N233 WeakPolarHBondContact OD1-CA 3.3Å; D231-N233 WeakPolarHBondContact OD1-CB 3.24Å; D231-N233 PolarHBondContact OD1-N 3.38Å; D231-A234 HydrophobicContact CB-CB 4.11Å; D231-A234 VanDerWaalsContact CG-N 3.3Å; D231-A234 VanDerWaalsContact O-CB 3.3Å; D231-A234 WeakPolarHBondContact O-CB 3.28Å; D231-A234 PolarHBondContact O-N 3Å; D231-A234 PolarHBondContact OD1-N 3.07Å; D231-A234 WeakPolarHBondContact OD2-CA 3.44Å; D231-A234 PolarHBondContact OD2-N 3.17Å
232A96.7Very high97.6Very high8 Ų843.5 Ų43.57%0.06622%0.224CC..THydrogen-bonded Turntrans-68-10177.100000113.7L210 A230 P242 A263L210-A232 HydrophobicContact CD2-CB 4.47Å; A230-A232 PolarHBondContact O-N 3.13Å; A230-A232 VanDerWaalsContact O-N 3.12Å; A232-P242 WeakPolarHBondContact O-CD 3.36Å; A232-A263 HydrophobicContact CB-CB 4.16Å
233N96.8Very high97.5Very high54 Ų5443.5 Ų43.529%0.28922%0.224SC..THydrogen-bonded Turntrans-110.88.8176.7-63.7-60.7000112.9D231 R235 S264D231-N233 PolarHBondContact O-N 3.38Å; D231-N233 WeakPolarHBondContact OD1-CA 3.3Å; D231-N233 WeakPolarHBondContact OD1-CB 3.24Å; D231-N233 PolarHBondContact OD1-N 3.38Å; N233-R235 PolarHBondContact O-N 3.14Å; N233-S264 WeakPolarHBondContact OD1-CB 3.43Å; N233-S264 PolarHBondContact OD1-N 3.36Å
234A97.4Very high97.5Very high4 Ų440 Ų403%0.03321%0.208CC..  trans-54.4139.1176.800000109.8T208 H211 D231 T241 P242T208-A234 HydrophobicContact CG2-CB 4.02Å; H211-A234 PolarHBondContact CE1-O 3.17Å; H211-A234 PolarHBondContact NE2-O 2.91Å; D231-A234 HydrophobicContact CB-CB 4.11Å; D231-A234 VanDerWaalsContact CG-N 3.3Å; D231-A234 VanDerWaalsContact O-CB 3.3Å; D231-A234 WeakPolarHBondContact O-CB 3.28Å; D231-A234 PolarHBondContact O-N 3Å; D231-A234 PolarHBondContact OD1-N 3.07Å; D231-A234 WeakPolarHBondContact OD2-CA 3.44Å; D231-A234 PolarHBondContact OD2-N 3.17Å; A234-T241 WeakPolarHBondContact O-CA 3.45Å; A234-P242 WeakPolarHBondContact O-CD 3.37Å
235R97.6Very high97.4Very high107 Ų10738.4 Ų38.440%0.40420%0.201SC..  trans-100.3131.6178-64.3174.971.2114.24.7110.3R202 N233 D240 T241 K268R202-R235 PolarHBondContact NH1-O 3.41Å; N233-R235 PolarHBondContact O-N 3.14Å; R235-D240 WeakPolarHBondContact CA-O 3.42Å; R235-T241 HydrophobicContact CG-CG2 4.38Å; R235-K268 PolarHBondContact NH1-O 2.81Å; R235-K268 PolarHBondContact NH2-O 3.46Å
236D98Very high97.3Very high14 Ų1438.4 Ų38.48%0.07520%0.201CC..  trans-82.5-169.7167.777.68.8000111.7L205 Q206 R215 D238 G239 D240L205-D236 WeakPolarHBondContact O-CB 3.43Å; Q206-D236 WeakPolarHBondContact O-CA 3.31Å; R215-D236 IonicContact CZ-OD2 3.52Å; R215-D236 IonicContact NH2-OD2 2.75Å; R215-D236 PolarHBondContact NH2-OD2 3.38Å; D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 3.11Å; D236-D238 PolarHBondContact OD1-N 3.13Å; D236-G239 PolarHBondContact O-N 3.45Å; D236-G239 PolarHBondContact OD1-N 3.48Å; D236-D240 PolarHBondContact N-O 3.34Å; D236-D240 WeakPolarHBondContact OD1-CB 3.45Å; D236-D240 PolarHBondContact OD1-N 3.43Å
237R98.1Very high97.1Very high161 Ų16138.1 Ų38.161%0.60820%0.2SC*.THydrogen-bonded Turntrans-62.8-32.7-175.6179.7177-175.6-178.9-0.7112.6L205 Q206 G239L205-R237 WeakPolarHBondContact O-CB 3.31Å; L205-R237 PolarHBondContact O-N 3.2Å; Q206-R237 HydrophobicContact CB-CB 4.19Å; Q206-R237 HydrophobicContact CG-CB 4.27Å; R237-G239 PolarHBondContact O-N 3.29Å
238D96.8Very high96.9Very high93 Ų9338 Ų3850%0.49720%0.195SC..THydrogen-bonded Turntrans-89.67.7179.5-59.9-36000111D236 D240 S270D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 3.11Å; D236-D238 PolarHBondContact OD1-N 3.13Å; D238-D240 PolarHBondContact O-N 2.89Å; D238-S270 VanDerWaalsContact C-OG 3.23Å; D238-S270 WeakPolarHBondContact O-CB 3.38Å; D238-S270 PolarHBondContact O-N 2.83Å; D238-S270 PolarHBondContact O-OG 3.39Å
239G97.3Very high96.5Very high3 Ų338.1 Ų38.13%0.03119%0.192CC..SBendtrans72.55.9-17700000113D236 R237 N269 S270D236-G239 PolarHBondContact O-N 3.45Å; D236-G239 PolarHBondContact OD1-N 3.48Å; R237-G239 PolarHBondContact O-N 3.29Å; G239-N269 WeakPolarHBondContact O-CA 3.33Å; G239-S270 PolarHBondContact N-OG 2.84Å
240D97.6Very high96.3Very high6 Ų639.8 Ų39.83%0.03219%0.188CC..  trans-69.6144.6177.8-78.1-23.5000109.5H211 R235 D236 D238 H244 R248 N269H211-D240 PolarHBondContact NE2-O 3.34Å; R235-D240 WeakPolarHBondContact CA-O 3.42Å; D236-D240 PolarHBondContact N-O 3.34Å; D236-D240 WeakPolarHBondContact OD1-CB 3.45Å; D236-D240 PolarHBondContact OD1-N 3.43Å; D238-D240 PolarHBondContact O-N 2.89Å; D240-H244 HydrophobicContact CB-CB 3.8Å; D240-H244 IonicContact OD1-CD2 2.8Å; D240-H244 IonicContact OD1-CG 3.55Å; D240-R248 IonicContact OD1-NH2 3.47Å; D240-R248 PolarHBondContact OD1-NH2 2.9Å; D240-R248 IonicContact OD2-CZ 3.94Å; D240-R248 IonicContact OD2-NH1 2.66Å; D240-R248 PolarHBondContact OD2-NH1 3.24Å; D240-R248 IonicContact OD2-NH2 3.95Å; D240-R248 PolarHBondContact OD2-NH2 3.47Å; D240-N269 WeakPolarHBondContact OD1-CB 3.31Å; D240-N269 PolarHBondContact OD1-ND2 3.18Å
241T97.9Very high95.9Very high0 Ų046.1 Ų46.10%021%0.21CC..  trans-98.8166.2170.166.80000109.6A234 R235 M243 H244 D245 T267A234-T241 WeakPolarHBondContact O-CA 3.45Å; R235-T241 HydrophobicContact CG-CG2 4.38Å; T241-M243 PolarHBondContact O-N 3.39Å; T241-M243 PolarHBondContact OG1-N 3.44Å; T241-H244 PolarHBondContact N-ND1 2.87Å; T241-H244 VanDerWaalsContact N-ND1 3.11Å; T241-H244 WeakPolarHBondContact O-CB 3.46Å; T241-H244 PolarHBondContact O-N 3Å; T241-H244 PolarHBondContact OG1-ND1 2.91Å; T241-D245 PolarHBondContact O-N 3.26Å; T241-T267 HydrophobicContact CG2-CG2 3.68Å
242P97.8Very high95.7Very high0 Ų048.4 Ų48.40%022%0.215CC..Hα-helixtrans-49.3-32.7169.7-30.436.6000113.5L210 H211 V214 A232 A234 D245 A246 L258L210-P242 HydrophobicContact CD2-CB 4.45Å; L210-P242 HydrophobicContact CD2-CG 3.95Å; L210-P242 HydrophobicContact CG-CB 4.35Å; L210-P242 HydrophobicContact CG-CG 4.04Å; H211-P242 WeakPolarHBondContact NE2-CD 3.49Å; V214-P242 WeakPolarHBondContact CG1-O 3.35Å; V214-P242 HydrophobicContact CG2-CB 4.15Å; A232-P242 WeakPolarHBondContact O-CD 3.36Å; A234-P242 WeakPolarHBondContact O-CD 3.37Å; P242-D245 PolarHBondContact O-N 3.43Å; P242-A246 WeakPolarHBondContact O-CB 3.25Å; P242-A246 PolarHBondContact O-N 3.31Å; P242-L258 HydrophobicContact CB-CD1 4.08Å; P242-L258 HydrophobicContact CB-CD2 4.04Å; P242-L258 WeakPolarHBondContact O-CD1 3.37Å
243M97.7Very high95.6Very high0 Ų054.9 Ų54.90%024%0.242CC..Hα-helixtrans-66.7-40.1175.4-171.865.678.900113T241 D245 A246 V247 I255 L258 M259 A263 L265 P275T241-M243 PolarHBondContact O-N 3.39Å; T241-M243 PolarHBondContact OG1-N 3.44Å; M243-D245 VanDerWaalsContact C-N 3.32Å; M243-D245 PolarHBondContact O-N 3.33Å; M243-A246 PolarHBondContact O-N 3.01Å; M243-V247 HydrophobicContact CG-CG2 4.44Å; M243-V247 WeakPolarHBondContact O-CB 3.31Å; M243-V247 VanDerWaalsContact O-CG2 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.38Å; M243-V247 PolarHBondContact O-N 3Å; M243-V247 HydrophobicContact SD-CG2 4.37Å; M243-I255 HydrophobicContact SD-CG2 4.01Å; M243-L258 HydrophobicContact CE-CB 3.69Å; M243-L258 HydrophobicContact SD-CB 4.34Å; M243-L258 HydrophobicContact SD-CD1 4.48Å; M243-M259 HydrophobicContact CE-CG 3.67Å; M243-A263 HydrophobicContact CE-CB 3.71Å; M243-L265 HydrophobicContact CE-CD2 3.66Å; M243-L265 HydrophobicContact CG-CD2 3.93Å; M243-L265 HydrophobicContact SD-CD2 3.97Å; M243-P275 HydrophobicContact CB-CB 4.43Å; M243-P275 HydrophobicContact CB-CG 3.95Å; M243-P275 HydrophobicContact CG-CB 3.76Å; M243-P275 HydrophobicContact CG-CG 3.64Å
244H97.2Very high95.6Very high0 Ų052.3 Ų52.30%023%0.228CC..Hα-helixtrans-59.5-46.7175-69.482.4000110.4D240 T241 V247 R248 T267 K273 P275D240-H244 HydrophobicContact CB-CB 3.8Å; D240-H244 IonicContact OD1-CD2 2.8Å; D240-H244 IonicContact OD1-CG 3.55Å; T241-H244 PolarHBondContact N-ND1 2.87Å; T241-H244 VanDerWaalsContact N-ND1 3.11Å; T241-H244 WeakPolarHBondContact O-CB 3.46Å; T241-H244 PolarHBondContact O-N 3Å; T241-H244 PolarHBondContact OG1-ND1 2.91Å; H244-V247 PolarHBondContact O-N 3.29Å; H244-R248 WeakPolarHBondContact O-CB 3.34Å; H244-R248 PolarHBondContact O-N 3.35Å; H244-T267 PolarHBondContact CE1-O 2.87Å; H244-T267 PolarHBondContact NE2-O 3.13Å; H244-K273 PolarHBondContact NE2-O 2.91Å; H244-K273 VanDerWaalsContact NE2-O 3.08Å; H244-P275 WeakPolarHBondContact NE2-CD 3.42Å
245D96.3Very high95.6Very high8 Ų853.5 Ų53.54%0.04323%0.234CC..Hα-helixtrans-59.2-51.5176.4-80.6-31.5000111.5H211 V214 R215 T241 P242 M243 V247 R248 I249H211-D245 IonicContact CD2-OD2 2.8Å; H211-D245 PolarHBondContact CD2-OD2 3.34Å; V214-D245 HydrophobicContact CG1-CB 3.84Å; R215-D245 HydrophobicContact CG-CB 3.86Å; R215-D245 VanDerWaalsContact CG-CG 3.46Å; R215-D245 WeakPolarHBondContact CG-OD2 3.25Å; R215-D245 IonicContact CZ-OD2 3.43Å; R215-D245 IonicContact NE-OD1 2.65Å; R215-D245 PolarHBondContact NE-OD1 3.21Å; R215-D245 IonicContact NE-OD2 3.15Å; R215-D245 PolarHBondContact NE-OD2 3.33Å; R215-D245 IonicContact NH2-OD2 3Å; T241-D245 PolarHBondContact O-N 3.26Å; P242-D245 PolarHBondContact O-N 3.43Å; M243-D245 VanDerWaalsContact C-N 3.32Å; M243-D245 PolarHBondContact O-N 3.33Å; D245-V247 VanDerWaalsContact C-N 3.28Å; D245-V247 PolarHBondContact O-N 3.03Å; D245-R248 PolarHBondContact O-N 3.42Å; D245-R248 IonicContact OD1-NH1 3.34Å; D245-R248 PolarHBondContact OD1-NH1 3.27Å; D245-I249 VanDerWaalsContact O-CG1 3.26Å; D245-I249 WeakPolarHBondContact O-CG1 3.26Å; D245-I249 PolarHBondContact O-N 3.07Å
246A96.4Very high95.5Very high0 Ų057.1 Ų57.10%025%0.247CC..Hα-helixtrans-58.3-38.5-178.300000113.2V214 P242 M243 I249 N250 R251 M254 I255 L258V214-A246 HydrophobicContact CG1-CB 3.75Å; P242-A246 WeakPolarHBondContact O-CB 3.25Å; P242-A246 PolarHBondContact O-N 3.31Å; M243-A246 PolarHBondContact O-N 3.01Å; A246-I249 VanDerWaalsContact O-CG1 3.32Å; A246-I249 WeakPolarHBondContact O-CG1 3.48Å; A246-N250 PolarHBondContact O-N 3.49Å; A246-R251 PolarHBondContact O-N 3.29Å; A246-R251 VanDerWaalsContact O-N 3.14Å; A246-M254 HydrophobicContact CB-CB 4.29Å; A246-M254 HydrophobicContact CB-CG 3.95Å; A246-I255 HydrophobicContact CB-CG1 3.86Å; A246-L258 HydrophobicContact CB-CD1 3.69Å
247V95.1Very high95.5Very high15 Ų1557.1 Ų57.19%0.09125%0.247CC..Hα-helixtrans-70.6-45.3176.9171.50000111.1M243 H244 D245 I249 N250 I255 P275 L279M243-V247 HydrophobicContact CG-CG2 4.44Å; M243-V247 WeakPolarHBondContact O-CB 3.31Å; M243-V247 VanDerWaalsContact O-CG2 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.38Å; M243-V247 PolarHBondContact O-N 3Å; M243-V247 HydrophobicContact SD-CG2 4.37Å; H244-V247 PolarHBondContact O-N 3.29Å; D245-V247 VanDerWaalsContact C-N 3.28Å; D245-V247 PolarHBondContact O-N 3.03Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 2.86Å; V247-N250 PolarHBondContact O-N 3.23Å; V247-I255 HydrophobicContact CG2-CD1 3.97Å; V247-I255 HydrophobicContact CG2-CG1 4.14Å; V247-P275 HydrophobicContact CB-CB 4.42Å; V247-P275 WeakPolarHBondContact CG1-O 3.43Å; V247-P275 HydrophobicContact CG2-CB 3.98Å; V247-L279 HydrophobicContact CG1-CB 3.58Å; V247-L279 HydrophobicContact CG1-CD1 4.16Å; V247-L279 HydrophobicContact CG1-CD2 4.27Å; V247-L279 HydrophobicContact CG1-CG 4.21Å
248R91.4Very high95.5Very high115 Ų11549.5 Ų49.543%0.43422%0.218SC..Hα-helixtrans-59.7-39.4179.1-176.9-178.8-61.6123.2-0.3112.9D240 H244 D245 N250D240-R248 IonicContact OD1-NH2 3.47Å; D240-R248 PolarHBondContact OD1-NH2 2.9Å; D240-R248 IonicContact OD2-CZ 3.94Å; D240-R248 IonicContact OD2-NH1 2.66Å; D240-R248 PolarHBondContact OD2-NH1 3.24Å; D240-R248 IonicContact OD2-NH2 3.95Å; D240-R248 PolarHBondContact OD2-NH2 3.47Å; H244-R248 WeakPolarHBondContact O-CB 3.34Å; H244-R248 PolarHBondContact O-N 3.35Å; D245-R248 PolarHBondContact O-N 3.42Å; D245-R248 IonicContact OD1-NH1 3.34Å; D245-R248 PolarHBondContact OD1-NH1 3.27Å; R248-N250 VanDerWaalsContact C-N 3.26Å; R248-N250 PolarHBondContact O-N 2.7Å
249I90Very high95.4Very high54 Ų5449.9 Ų49.928%0.27722%0.218SC..THydrogen-bonded Turntrans-83.6-0.2177.365.5178.1000113.5V214 D245 A246 V247 R251V214-I249 WeakPolarHBondContact O-CD1 3.23Å; D245-I249 VanDerWaalsContact O-CG1 3.26Å; D245-I249 WeakPolarHBondContact O-CG1 3.26Å; D245-I249 PolarHBondContact O-N 3.07Å; A246-I249 VanDerWaalsContact O-CG1 3.32Å; A246-I249 WeakPolarHBondContact O-CG1 3.48Å; V247-I249 VanDerWaalsContact C-N 3.31Å; V247-I249 PolarHBondContact O-N 2.86Å; I249-R251 HydrophobicContact CB-CG 4.23Å; I249-R251 HydrophobicContact CD1-CB 4.02Å; I249-R251 HydrophobicContact CD1-CG 3.44Å; I249-R251 VanDerWaalsContact CD1-CG 3.44Å; I249-R251 HydrophobicContact CG1-CB 3.97Å; I249-R251 HydrophobicContact CG1-CG 3.47Å; I249-R251 VanDerWaalsContact CG1-CG 3.47Å; I249-R251 PolarHBondContact O-N 3.27Å
250N90.9Very high95.4Very high90 Ų9056.8 Ų56.848%0.48125%0.252SS..THydrogen-bonded Turntrans53.646.7-180-166.128.7000114A246 V247 R248 F252A246-N250 PolarHBondContact O-N 3.49Å; V247-N250 PolarHBondContact O-N 3.23Å; R248-N250 VanDerWaalsContact C-N 3.26Å; R248-N250 PolarHBondContact O-N 2.7Å; N250-F252 WeakPolarHBondContact OD1-CZ 3.37Å
251R89.9Confident95.2Very high144 Ų14460.2 Ų60.254%0.54327%0.265SS..  trans-102.885.8-179.1-66.6-67.8-176.2177.82.2111.2A246 I249 K253 M254 I255A246-R251 PolarHBondContact O-N 3.29Å; A246-R251 VanDerWaalsContact O-N 3.14Å; I249-R251 HydrophobicContact CB-CG 4.23Å; I249-R251 HydrophobicContact CD1-CB 4.02Å; I249-R251 HydrophobicContact CD1-CG 3.44Å; I249-R251 VanDerWaalsContact CD1-CG 3.44Å; I249-R251 HydrophobicContact CG1-CB 3.97Å; I249-R251 HydrophobicContact CG1-CG 3.47Å; I249-R251 VanDerWaalsContact CG1-CG 3.47Å; I249-R251 PolarHBondContact O-N 3.27Å; R251-K253 VanDerWaalsContact C-N 3.3Å; R251-K253 PolarHBondContact O-N 3.36Å; R251-K253 VanDerWaalsContact O-N 3.17Å; R251-M254 HydrophobicContact CB-CB 3.84Å; R251-M254 WeakPolarHBondContact O-CA 3.29Å; R251-M254 WeakPolarHBondContact O-CB 3.47Å; R251-M254 PolarHBondContact O-N 3.16Å; R251-I255 WeakPolarHBondContact O-CG1 3.35Å; R251-I255 PolarHBondContact O-N 2.9Å
252F92.9Very high94.9Very high140 Ų14062.8 Ų62.861%0.61429%0.291SS*.Hα-helixtrans-52.4-40.6-177.6-59.8-67.4000114.9N250 M254 I255 R256N250-F252 WeakPolarHBondContact OD1-CZ 3.37Å; F252-M254 VanDerWaalsContact C-N 3.3Å; F252-M254 PolarHBondContact O-N 3.31Å; F252-I255 PolarHBondContact O-N 3.34Å; F252-R256 WeakPolarHBondContact O-CB 3.47Å; F252-R256 WeakPolarHBondContact O-CG 3.17Å; F252-R256 PolarHBondContact O-N 3.45Å
253K95.3Very high94.8Very high145 Ų14563.2 Ų63.263%0.6330%0.295SS*.Hα-helixtrans-60.9-40.8176.4-173.6178.4176-176.20111.5C219 R251 L257C219-K253 HydrophobicContact CB-CD 4.45Å; R251-K253 VanDerWaalsContact C-N 3.3Å; R251-K253 PolarHBondContact O-N 3.36Å; R251-K253 VanDerWaalsContact O-N 3.17Å; K253-L257 WeakPolarHBondContact O-CB 3.27Å; K253-L257 PolarHBondContact O-N 2.99Å
254M97.1Very high94.6Very high0 Ų064.7 Ų64.70%031%0.305CS..Hα-helixtrans-71-41.5178.7-168.464.776.700111.8V214 C219 A222 A246 R251 F252 R256 L257 L258V214-M254 HydrophobicContact CB-CG 4.32Å; V214-M254 HydrophobicContact CB-SD 4.49Å; V214-M254 HydrophobicContact CG1-CG 3.91Å; V214-M254 HydrophobicContact CG2-CE 4.34Å; V214-M254 HydrophobicContact CG2-CG 3.97Å; V214-M254 HydrophobicContact CG2-SD 3.75Å; C219-M254 HydrophobicContact CB-CE 4.24Å; A222-M254 HydrophobicContact CB-CE 4Å; A222-M254 HydrophobicContact CB-SD 3.75Å; A246-M254 HydrophobicContact CB-CB 4.29Å; A246-M254 HydrophobicContact CB-CG 3.95Å; R251-M254 HydrophobicContact CB-CB 3.84Å; R251-M254 WeakPolarHBondContact O-CA 3.29Å; R251-M254 WeakPolarHBondContact O-CB 3.47Å; R251-M254 PolarHBondContact O-N 3.16Å; F252-M254 VanDerWaalsContact C-N 3.3Å; F252-M254 PolarHBondContact O-N 3.31Å; M254-R256 VanDerWaalsContact C-N 3.34Å; M254-R256 PolarHBondContact O-N 3.29Å; M254-L257 WeakPolarHBondContact O-CB 3.31Å; M254-L257 PolarHBondContact O-N 2.94Å; M254-L257 HydrophobicContact SD-CD2 3.94Å; M254-L258 HydrophobicContact CG-CD1 4.28Å; M254-L258 WeakPolarHBondContact O-CG 3.36Å; M254-L258 PolarHBondContact O-N 3.46Å
255I96.6Very high94.4Very high29 Ų2968.6 Ų68.615%0.14933%0.325CS..Hα-helixtrans-58.4-48.7174.4-63.7167.7000109.9M243 A246 V247 R251 F252 L257 L258 M259M243-I255 HydrophobicContact SD-CG2 4.01Å; A246-I255 HydrophobicContact CB-CG1 3.86Å; V247-I255 HydrophobicContact CG2-CD1 3.97Å; V247-I255 HydrophobicContact CG2-CG1 4.14Å; R251-I255 WeakPolarHBondContact O-CG1 3.35Å; R251-I255 PolarHBondContact O-N 2.9Å; F252-I255 PolarHBondContact O-N 3.34Å; I255-L257 PolarHBondContact O-N 2.93Å; I255-L258 PolarHBondContact O-N 3.15Å; I255-M259 HydrophobicContact CG2-CG 4.42Å; I255-M259 HydrophobicContact CG2-SD 4Å; I255-M259 VanDerWaalsContact O-CG 3.29Å; I255-M259 WeakPolarHBondContact O-CG 3.26Å; I255-M259 PolarHBondContact O-N 3.45Å
256R96.2Very high94.3Very high183 Ų18372.6 Ų72.669%0.69135%0.354SS*.Hα-helixtrans-59.2-45.5176.9-74.5-179.1178.6-172.70.2112.1F252 M254 M259 M260F252-R256 WeakPolarHBondContact O-CB 3.47Å; F252-R256 WeakPolarHBondContact O-CG 3.17Å; F252-R256 PolarHBondContact O-N 3.45Å; M254-R256 VanDerWaalsContact C-N 3.34Å; M254-R256 PolarHBondContact O-N 3.29Å; R256-M259 PolarHBondContact O-N 3.23Å; R256-M260 VanDerWaalsContact O-CG 3.31Å; R256-M260 WeakPolarHBondContact O-CG 3.35Å; R256-M260 PolarHBondContact O-N 2.7Å
257L97.1Very high94.3Very high14 Ų1474.2 Ų74.27%0.07336%0.364CS..Hα-helixtrans-55.2-54.5175.6-173.498.1000110.5A222 E223 I226 K253 M254 I255 M259 M260 Y261A222-L257 HydrophobicContact CB-CD2 3.99Å; E223-L257 HydrophobicContact CB-CD1 3.83Å; E223-L257 HydrophobicContact CB-CD2 4.22Å; E223-L257 HydrophobicContact CG-CD1 4.02Å; I226-L257 HydrophobicContact CD1-CD2 4.11Å; K253-L257 WeakPolarHBondContact O-CB 3.27Å; K253-L257 PolarHBondContact O-N 2.99Å; M254-L257 WeakPolarHBondContact O-CB 3.31Å; M254-L257 PolarHBondContact O-N 2.94Å; M254-L257 HydrophobicContact SD-CD2 3.94Å; I255-L257 PolarHBondContact O-N 2.93Å; L257-M259 VanDerWaalsContact C-N 3.32Å; L257-M259 PolarHBondContact O-N 2.87Å; L257-M260 WeakPolarHBondContact O-CB 3.14Å; L257-M260 PolarHBondContact O-N 2.81Å; L257-M260 VanDerWaalsContact O-N 3.14Å; L257-Y261 HydrophobicContact CD1-CD2 4.45Å; L257-Y261 HydrophobicContact CD1-CE2 3.87Å; L257-Y261 HydrophobicContact CG-CD2 4.03Å; L257-Y261 HydrophobicContact CG-CE2 3.96Å; L257-Y261 WeakPolarHBondContact O-CD2 3.28Å; L257-Y261 PolarHBondContact O-N 3.31Å; L257-Y261 VanDerWaalsContact O-N 3.16Å
258L97.1Very high94.3Very high0 Ų078.7 Ų78.70%038%0.382CS..Hα-helixtrans-61-39.6-179.2-70.2171.7000112.3V214 I226 P242 M243 A246 M254 I255 Y261 G262 A263V214-L258 HydrophobicContact CG1-CD1 4.48Å; V214-L258 HydrophobicContact CG2-CD1 4.24Å; I226-L258 HydrophobicContact CD1-CD2 4Å; P242-L258 HydrophobicContact CB-CD1 4.08Å; P242-L258 HydrophobicContact CB-CD2 4.04Å; P242-L258 WeakPolarHBondContact O-CD1 3.37Å; M243-L258 HydrophobicContact CE-CB 3.69Å; M243-L258 HydrophobicContact SD-CB 4.34Å; M243-L258 HydrophobicContact SD-CD1 4.48Å; A246-L258 HydrophobicContact CB-CD1 3.69Å; M254-L258 HydrophobicContact CG-CD1 4.28Å; M254-L258 WeakPolarHBondContact O-CG 3.36Å; M254-L258 PolarHBondContact O-N 3.46Å; I255-L258 PolarHBondContact O-N 3.15Å; L258-Y261 CarbonylContact O-C 3.24Å; L258-Y261 PolarHBondContact O-N 2.87Å; L258-G262 PolarHBondContact O-N 3.5Å; L258-A263 HydrophobicContact CB-CB 3.78Å; L258-A263 WeakPolarHBondContact O-CB 3.42Å; L258-A263 PolarHBondContact O-N 3.32Å
259M96.1Very high94.6Very high101 Ų10173.6 Ų73.650%0.49836%0.364SS..Hα-helixtrans-62-43.4174.7-72.8177.368.800112.1M243 I255 R256 L257 Y261 G262 L265M243-M259 HydrophobicContact CE-CG 3.67Å; I255-M259 HydrophobicContact CG2-CG 4.42Å; I255-M259 HydrophobicContact CG2-SD 4Å; I255-M259 VanDerWaalsContact O-CG 3.29Å; I255-M259 WeakPolarHBondContact O-CG 3.26Å; I255-M259 PolarHBondContact O-N 3.45Å; R256-M259 PolarHBondContact O-N 3.23Å; L257-M259 VanDerWaalsContact C-N 3.32Å; L257-M259 PolarHBondContact O-N 2.87Å; M259-Y261 PolarHBondContact O-N 2.84Å; M259-G262 PolarHBondContact O-N 2.77Å; M259-L265 HydrophobicContact CE-CD1 4.4Å; M259-L265 HydrophobicContact CG-CD2 4.49Å
260M96.1Very high94.9Very high149 Ų14975 Ų7573%0.73438%0.378SS*.Hα-helixtrans-60.9-33.1177.9-74.6175.460.500112.3R256 L257R256-M260 VanDerWaalsContact O-CG 3.31Å; R256-M260 WeakPolarHBondContact O-CG 3.35Å; R256-M260 PolarHBondContact O-N 2.7Å; L257-M260 WeakPolarHBondContact O-CB 3.14Å; L257-M260 PolarHBondContact O-N 2.81Å; L257-M260 VanDerWaalsContact O-N 3.14Å
261Y94.7Very high95.1Very high78 Ų7876.7 Ų76.731%0.30639%0.387SS..THydrogen-bonded Turntrans-98.622.9179.4-62.7-72.4000113.8E223 I226 H227 L257 L258 M259E223-Y261 HydrophobicContact CG-CE2 4.22Å; E223-Y261 PolarHBondContact OE1-OH 3.2Å; I226-Y261 HydrophobicContact CD1-CD2 4.16Å; I226-Y261 HydrophobicContact CD1-CG 4.48Å; I226-Y261 HydrophobicContact CG2-CD1 3.81Å; I226-Y261 HydrophobicContact CG2-CD2 4.13Å; I226-Y261 HydrophobicContact CG2-CG 3.57Å; H227-Y261 AromaticContact CE1-CE1 3.67Å; H227-Y261 AromaticContact CE1-CZ 3.47Å; H227-Y261 VanDerWaalsContact CE1-CZ 3.47Å; H227-Y261 PolarHBondContact CE1-OH 3.48Å; L257-Y261 HydrophobicContact CD1-CD2 4.45Å; L257-Y261 HydrophobicContact CD1-CE2 3.87Å; L257-Y261 HydrophobicContact CG-CD2 4.03Å; L257-Y261 HydrophobicContact CG-CE2 3.96Å; L257-Y261 WeakPolarHBondContact O-CD2 3.28Å; L257-Y261 PolarHBondContact O-N 3.31Å; L257-Y261 VanDerWaalsContact O-N 3.16Å; L258-Y261 CarbonylContact O-C 3.24Å; L258-Y261 PolarHBondContact O-N 2.87Å; M259-Y261 PolarHBondContact O-N 2.84Å
262G91.1Very high95.3Very high54 Ų5471.5 Ų71.556%0.55738%0.379SS*.THydrogen-bonded Turntrans77.322.5167.100000115.8L258 M259 S264L258-G262 PolarHBondContact O-N 3.5Å; M259-G262 PolarHBondContact O-N 2.77Å; G262-S264 PolarHBondContact O-N 3.15Å
263A95.3Very high95.5Very high9 Ų968.3 Ų68.37%0.07437%0.365CS..  trans-64.6132.2170.400000110.9A232 M243 L258A232-A263 HydrophobicContact CB-CB 4.16Å; M243-A263 HydrophobicContact CE-CB 3.71Å; L258-A263 HydrophobicContact CB-CB 3.78Å; L258-A263 WeakPolarHBondContact O-CB 3.42Å; L258-A263 PolarHBondContact O-N 3.32Å
264S93.4Very high95.6Very high30 Ų3062.2 Ų62.221%0.2134%0.34CS..  trans-72.7131.2-177.4176.40000111.7N233 G262 S266 T267N233-S264 WeakPolarHBondContact OD1-CB 3.43Å; N233-S264 PolarHBondContact OD1-N 3.36Å; G262-S264 PolarHBondContact O-N 3.15Å; S264-S266 PolarHBondContact OG-N 3.02Å; S264-S266 PolarHBondContact OG-OG 3.07Å; S264-T267 WeakPolarHBondContact CB-OG1 3.38Å; S264-T267 PolarHBondContact OG-N 3.17Å; S264-T267 PolarHBondContact OG-OG1 3.33Å
265L93.7Very high95.4Very high82 Ų8262.3 Ų62.343%0.42934%0.34SS..SBendtrans-89.4-11.9172.7-62176.2000112.7M243 M259M243-L265 HydrophobicContact CE-CD2 3.66Å; M243-L265 HydrophobicContact CG-CD2 3.93Å; M243-L265 HydrophobicContact SD-CD2 3.97Å; M259-L265 HydrophobicContact CE-CD1 4.4Å; M259-L265 HydrophobicContact CG-CD2 4.49Å
266S94.6Very high95.3Very high93 Ų9365.8 Ų65.865%0.6536%0.357SS*.SBendtrans-103-7.9-175.460.20000113.5S264 K268S264-S266 PolarHBondContact OG-N 3.02Å; S264-S266 PolarHBondContact OG-OG 3.07Å; S266-K268 PolarHBondContact O-N 3.36Å
267T95.4Very high95.2Very high33 Ų3361.1 Ų61.120%0.20234%0.343CS..  trans-64128.6176.8-59.20000109.5T241 H244 S264 P275T241-T267 HydrophobicContact CG2-CG2 3.68Å; H244-T267 PolarHBondContact CE1-O 2.87Å; H244-T267 PolarHBondContact NE2-O 3.13Å; S264-T267 WeakPolarHBondContact CB-OG1 3.38Å; S264-T267 PolarHBondContact OG-N 3.17Å; S264-T267 PolarHBondContact OG-OG1 3.33Å; T267-P275 WeakPolarHBondContact O-CD 3.45Å
268K96.1Very high95Very high110 Ų11061.4 Ų61.448%0.47835%0.346SS..  trans-94.9134.7177-68.4179.2168.9-160.70111.1R235 S266 G272 K273 T274R235-K268 PolarHBondContact NH1-O 2.81Å; R235-K268 PolarHBondContact NH2-O 3.46Å; S266-K268 PolarHBondContact O-N 3.36Å; K268-G272 VanDerWaalsContact CD-O 3.26Å; K268-G272 WeakPolarHBondContact CD-O 3.3Å; K268-K273 CarbonylContact C-O 3.5Å; K268-K273 VanDerWaalsContact CA-O 3.31Å; K268-K273 WeakPolarHBondContact CA-O 3.08Å; K268-T274 HydrophobicContact CG-CG2 3.9Å
269N96.5Very high94.7Very high8 Ų863.8 Ų63.84%0.04336%0.358CS..  trans-73-173.5170.674.7-3.7000112G239 D240 D271 G272 K273G239-N269 WeakPolarHBondContact O-CA 3.33Å; D240-N269 WeakPolarHBondContact OD1-CB 3.31Å; D240-N269 PolarHBondContact OD1-ND2 3.18Å; N269-D271 PolarHBondContact O-N 3.48Å; N269-D271 WeakPolarHBondContact OD1-CA 3.41Å; N269-D271 WeakPolarHBondContact OD1-CB 3.33Å; N269-D271 PolarHBondContact OD1-N 2.79Å; N269-G272 PolarHBondContact O-N 3.5Å; N269-G272 PolarHBondContact OD1-N 3.5Å; N269-K273 PolarHBondContact N-O 2.9Å; N269-K273 PolarHBondContact OD1-N 3.44Å; N269-K273 PolarHBondContact OD1-O 3.01Å
270S96.8Very high94.4Very high83 Ų8364.7 Ų64.758%0.5836%0.357SS*.THydrogen-bonded Turntrans-66.8-21.5-179.1-640000113.5D238 G239 G272D238-S270 VanDerWaalsContact C-OG 3.23Å; D238-S270 WeakPolarHBondContact O-CB 3.38Å; D238-S270 PolarHBondContact O-N 2.83Å; D238-S270 PolarHBondContact O-OG 3.39Å; G239-S270 PolarHBondContact N-OG 2.84Å; S270-G272 PolarHBondContact O-N 3.33Å
271D94.4Very high94.1Very high125 Ų12560.2 Ų60.267%0.66834%0.34SS*.THydrogen-bonded Turntrans-80.32.2171.8-61.1-33.1000112.8N269 K273N269-D271 PolarHBondContact O-N 3.48Å; N269-D271 WeakPolarHBondContact OD1-CA 3.41Å; N269-D271 WeakPolarHBondContact OD1-CB 3.33Å; N269-D271 PolarHBondContact OD1-N 2.79Å; D271-K273 HydrophobicContact CB-CD 4.43Å; D271-K273 HydrophobicContact CB-CG 4.27Å; D271-K273 PolarHBondContact O-N 3.42Å
272G95.9Very high93.8Very high36 Ų3665 Ų6537%0.37136%0.358SS..SBendtrans72.113.1-176.300000114K268 N269 S270K268-G272 VanDerWaalsContact CD-O 3.26Å; K268-G272 WeakPolarHBondContact CD-O 3.3Å; N269-G272 PolarHBondContact O-N 3.5Å; N269-G272 PolarHBondContact OD1-N 3.5Å; S270-G272 PolarHBondContact O-N 3.33Å
273K95.8Very high93.8Very high72 Ų7266.5 Ų66.531%0.31335%0.351SS..  trans-98.4139.3-179.7-63.9-178.6-178.2175.70110.7H244 K268 N269 D271 E277 S281H244-K273 PolarHBondContact NE2-O 2.91Å; H244-K273 VanDerWaalsContact NE2-O 3.08Å; K268-K273 CarbonylContact C-O 3.5Å; K268-K273 VanDerWaalsContact CA-O 3.31Å; K268-K273 WeakPolarHBondContact CA-O 3.08Å; N269-K273 PolarHBondContact N-O 2.9Å; N269-K273 PolarHBondContact OD1-N 3.44Å; N269-K273 PolarHBondContact OD1-O 3.01Å; D271-K273 HydrophobicContact CB-CD 4.43Å; D271-K273 HydrophobicContact CB-CG 4.27Å; D271-K273 PolarHBondContact O-N 3.42Å; K273-E277 WeakPolarHBondContact CA-OE2 3.46Å; K273-E277 HydrophobicContact CB-CB 4.2Å; K273-S281 PolarHBondContact NZ-OG 3.48Å
274T96.8Very high93.6Very high18 Ų1871 Ų7111%0.1137%0.373CS..  trans-75.6167.6165.660.30000110.9K268 M276 E277 T278K268-T274 HydrophobicContact CG-CG2 3.9Å; T274-M276 PolarHBondContact O-N 2.97Å; T274-E277 WeakPolarHBondContact CG2-OE2 3.28Å; T274-E277 PolarHBondContact N-OE2 3.32Å; T274-E277 PolarHBondContact O-N 3.35Å; T274-E277 WeakPolarHBondContact OG1-CB 3.42Å; T274-E277 VanDerWaalsContact OG1-CD 3.29Å; T274-E277 VanDerWaalsContact OG1-CG 3.24Å; T274-E277 WeakPolarHBondContact OG1-CG 3.27Å; T274-E277 PolarHBondContact OG1-N 2.85Å; T274-E277 VanDerWaalsContact OG1-N 3.17Å; T274-E277 PolarHBondContact OG1-OE2 3.23Å; T274-T278 PolarHBondContact O-N 2.9Å; T274-T278 PolarHBondContact O-OG1 3.08Å
275P94.7Very high93.5Very high1 Ų171.2 Ų71.21%0.00638%0.38CS..Hα-helixtrans-55-41.2173.4-2533.1000112.2M243 H244 V247 T267 T278 L279M243-P275 HydrophobicContact CB-CB 4.43Å; M243-P275 HydrophobicContact CB-CG 3.95Å; M243-P275 HydrophobicContact CG-CB 3.76Å; M243-P275 HydrophobicContact CG-CG 3.64Å; H244-P275 WeakPolarHBondContact NE2-CD 3.42Å; V247-P275 HydrophobicContact CB-CB 4.42Å; V247-P275 WeakPolarHBondContact CG1-O 3.43Å; V247-P275 HydrophobicContact CG2-CB 3.98Å; T267-P275 WeakPolarHBondContact O-CD 3.45Å; P275-T278 WeakPolarHBondContact O-CB 3.42Å; P275-T278 PolarHBondContact O-N 3.3Å; P275-L279 PolarHBondContact O-N 3.44Å; P275-L279 VanDerWaalsContact O-N 3.13Å
276M93.4Very high93.3Very high103 Ų10368.6 Ų68.651%0.50737%0.37SS..Hα-helixtrans-69.3-42.9-179.9-174.7177.9-7500112.3T274 T278 L279 Y280T274-M276 PolarHBondContact O-N 2.97Å; M276-T278 VanDerWaalsContact C-N 3.26Å; M276-T278 PolarHBondContact O-N 2.97Å; M276-L279 WeakPolarHBondContact O-CB 3.32Å; M276-L279 PolarHBondContact O-N 3.49Å; M276-Y280 HydrophobicContact CG-CD2 3.94Å; M276-Y280 HydrophobicContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact O-CD2 3.25Å; M276-Y280 WeakPolarHBondContact O-CD2 3.43Å; M276-Y280 PolarHBondContact O-N 2.98Å; M276-Y280 HydrophobicContact SD-CE2 3.86Å
277E94.9Very high93.2Very high84 Ų8470.9 Ų70.939%0.39337%0.368SS..Hα-helixtrans-63.6-34.2174.9-72.4163.7156.500111.8K273 T274 L279 Y280 S281K273-E277 WeakPolarHBondContact CA-OE2 3.46Å; K273-E277 HydrophobicContact CB-CB 4.2Å; T274-E277 WeakPolarHBondContact CG2-OE2 3.28Å; T274-E277 PolarHBondContact N-OE2 3.32Å; T274-E277 PolarHBondContact O-N 3.35Å; T274-E277 WeakPolarHBondContact OG1-CB 3.42Å; T274-E277 VanDerWaalsContact OG1-CD 3.29Å; T274-E277 VanDerWaalsContact OG1-CG 3.24Å; T274-E277 WeakPolarHBondContact OG1-CG 3.27Å; T274-E277 PolarHBondContact OG1-N 2.85Å; T274-E277 VanDerWaalsContact OG1-N 3.17Å; T274-E277 PolarHBondContact OG1-OE2 3.23Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-Y280 PolarHBondContact O-N 3.03Å; E277-S281 VanDerWaalsContact O-CB 3.31Å; E277-S281 WeakPolarHBondContact O-CB 3.34Å; E277-S281 PolarHBondContact O-N 3.48Å
278T91.5Very high93Very high21 Ų2172.3 Ų72.313%0.12938%0.379CS..Hα-helixtrans-62.7-42173.9-56.20000111.3T274 P275 M276 S281 W282T274-T278 PolarHBondContact O-N 2.9Å; T274-T278 PolarHBondContact O-OG1 3.08Å; P275-T278 WeakPolarHBondContact O-CB 3.42Å; P275-T278 PolarHBondContact O-N 3.3Å; M276-T278 VanDerWaalsContact C-N 3.26Å; M276-T278 PolarHBondContact O-N 2.97Å; T278-S281 PolarHBondContact O-N 3.36Å; T278-W282 PolarHBondContact O-N 3.42Å; T278-W282 VanDerWaalsContact O-N 3.11Å
279L91Very high92.9Very high49 Ų4973.1 Ų73.126%0.25739%0.388SS..Hα-helixtrans-60.2-50.7174.3-176.860.2000111.9V247 P275 M276 E277 S281 W282 Q283V247-L279 HydrophobicContact CG1-CB 3.58Å; V247-L279 HydrophobicContact CG1-CD1 4.16Å; V247-L279 HydrophobicContact CG1-CD2 4.27Å; V247-L279 HydrophobicContact CG1-CG 4.21Å; P275-L279 PolarHBondContact O-N 3.44Å; P275-L279 VanDerWaalsContact O-N 3.13Å; M276-L279 WeakPolarHBondContact O-CB 3.32Å; M276-L279 PolarHBondContact O-N 3.49Å; E277-L279 VanDerWaalsContact C-N 3.35Å; L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.01Å; L279-W282 PolarHBondContact O-N 3.26Å; L279-Q283 HydrophobicContact CD1-CG 4.28Å; L279-Q283 HydrophobicContact CG-CG 4.42Å; L279-Q283 WeakPolarHBondContact O-CG 3.39Å; L279-Q283 PolarHBondContact O-N 3.11Å
280Y91.3Very high92.6Very high120 Ų12078.5 Ų78.547%0.47142%0.417SS..Hα-helixtrans-62.9-41-179.4-70.4-51.3000112M276 E277 W282 Q283 N284M276-Y280 HydrophobicContact CG-CD2 3.94Å; M276-Y280 HydrophobicContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact CG-CE2 3.4Å; M276-Y280 VanDerWaalsContact O-CD2 3.25Å; M276-Y280 WeakPolarHBondContact O-CD2 3.43Å; M276-Y280 PolarHBondContact O-N 2.98Å; M276-Y280 HydrophobicContact SD-CE2 3.86Å; E277-Y280 PolarHBondContact O-N 3.03Å; Y280-W282 VanDerWaalsContact C-N 3.29Å; Y280-W282 PolarHBondContact O-N 3.39Å; Y280-Q283 PolarHBondContact O-N 3.37Å; Y280-N284 VanDerWaalsContact O-CB 3.31Å; Y280-N284 WeakPolarHBondContact O-CB 3.44Å; Y280-N284 PolarHBondContact O-N 3.47Å; Y280-N284 PolarHBondContact O-ND2 2.9Å
281S89.7Confident92.3Very high56 Ų5677.4 Ų77.439%0.39241%0.408SS..Hα-helixtrans-57.2-43.6175.3-173.90000111.4K273 E277 T278 L279 G285K273-S281 PolarHBondContact NZ-OG 3.48Å; E277-S281 VanDerWaalsContact O-CB 3.31Å; E277-S281 WeakPolarHBondContact O-CB 3.34Å; E277-S281 PolarHBondContact O-N 3.48Å; T278-S281 PolarHBondContact O-N 3.36Å; L279-S281 VanDerWaalsContact C-N 3.33Å; L279-S281 PolarHBondContact O-N 3.01Å; S281-G285 PolarHBondContact O-N 3.01Å; S281-G285 VanDerWaalsContact O-N 3.13Å
282W88.4Confident91.8Very high178 Ų17875.7 Ų75.767%0.67440%0.399SS*.Hα-helixtrans-69.7-46.1177.9-179.584.5000112.3T278 L279 Y280 N284 G285 A286T278-W282 PolarHBondContact O-N 3.42Å; T278-W282 VanDerWaalsContact O-N 3.11Å; L279-W282 PolarHBondContact O-N 3.26Å; Y280-W282 VanDerWaalsContact C-N 3.29Å; Y280-W282 PolarHBondContact O-N 3.39Å; W282-N284 VanDerWaalsContact C-N 3.35Å; W282-N284 PolarHBondContact O-N 3.49Å; W282-G285 PolarHBondContact O-N 2.6Å; W282-A286 WeakPolarHBondContact O-CB 3.48Å; W282-A286 PolarHBondContact O-N 2.87Å
283Q91Very high90.9Very high86 Ų8681.6 Ų81.640%0.40242%0.415SS..Hα-helixtrans-60.4-43.1178.7-73.5178.4-15.600112.2L279 Y280 A286 K287L279-Q283 HydrophobicContact CD1-CG 4.28Å; L279-Q283 HydrophobicContact CG-CG 4.42Å; L279-Q283 WeakPolarHBondContact O-CG 3.39Å; L279-Q283 PolarHBondContact O-N 3.11Å; Y280-Q283 PolarHBondContact O-N 3.37Å; Q283-A286 PolarHBondContact O-N 3.01Å; Q283-K287 VanDerWaalsContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CB 3.25Å; Q283-K287 PolarHBondContact O-N 3.25Å
284N91.1Very high89.4Confident104 Ų10484.8 Ų84.856%0.55644%0.435SS*.Hα-helixtrans-66.1-41.9177.4-70.8-21.7000111.6Y280 W282 K287 S288Y280-N284 VanDerWaalsContact O-CB 3.31Å; Y280-N284 WeakPolarHBondContact O-CB 3.44Å; Y280-N284 PolarHBondContact O-N 3.47Å; Y280-N284 PolarHBondContact O-ND2 2.9Å; W282-N284 VanDerWaalsContact C-N 3.35Å; W282-N284 PolarHBondContact O-N 3.49Å; N284-K287 PolarHBondContact O-N 3.09Å; N284-S288 WeakPolarHBondContact O-CB 3.47Å; N284-S288 PolarHBondContact O-N 2.92Å
285G90.4Very high87.6Confident33 Ų3391.6 Ų91.634%0.3447%0.466SS..Hα-helixtrans-61.9-47.2174.900000112.4S281 W282 K287 S288 L289S281-G285 PolarHBondContact O-N 3.01Å; S281-G285 VanDerWaalsContact O-N 3.13Å; W282-G285 PolarHBondContact O-N 2.6Å; G285-K287 PolarHBondContact O-N 3.14Å; G285-S288 PolarHBondContact O-N 2.79Å; G285-L289 WeakPolarHBondContact O-CG 3.46Å; G285-L289 PolarHBondContact O-N 3.41Å
286A89.8Confident85.8Confident28 Ų2899.4 Ų99.423%0.23150%0.502CS..Hα-helixtrans-61.6-44.5176.600000111.7W282 Q283 L289 L290W282-A286 WeakPolarHBondContact O-CB 3.48Å; W282-A286 PolarHBondContact O-N 2.87Å; Q283-A286 PolarHBondContact O-N 3.01Å; A286-L289 PolarHBondContact O-N 3.41Å; A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 VanDerWaalsContact O-CG 3.26Å; A286-L290 WeakPolarHBondContact O-CG 3.26Å; A286-L290 PolarHBondContact O-N 3.44Å
287K91.8Very high84.1Confident141 Ų141103.2 Ų103.261%0.61352%0.516SS*.Hα-helixtrans-59.4-47.8175.6-176.9-179.3177.8-176.40111.5Q283 N284 G285 L289 L290 C291Q283-K287 VanDerWaalsContact O-CB 3.27Å; Q283-K287 WeakPolarHBondContact O-CB 3.25Å; Q283-K287 PolarHBondContact O-N 3.25Å; N284-K287 PolarHBondContact O-N 3.09Å; G285-K287 PolarHBondContact O-N 3.14Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 3.16Å; K287-L290 PolarHBondContact O-N 2.82Å; K287-C291 WeakPolarHBondContact O-CB 3.35Å; K287-C291 PolarHBondContact O-N 2.92Å; K287-C291 PolarHBondContact O-SG 3.24Å
288S92.6Very high82.4Confident62 Ų62108.8 Ų108.843%0.43456%0.56SS.*Hα-helixtrans-59.3-44178.7-174.60000111.8N284 G285 N292N284-S288 WeakPolarHBondContact O-CB 3.47Å; N284-S288 PolarHBondContact O-N 2.92Å; G285-S288 PolarHBondContact O-N 2.79Å; S288-N292 WeakPolarHBondContact O-CB 3.5Å; S288-N292 PolarHBondContact O-N 3.29Å; S288-N292 VanDerWaalsContact O-N 3.07Å; S288-N292 PolarHBondContact O-ND2 3.46Å; S288-N292 PolarHBondContact O-OD1 2.88Å
289L92.5Very high81.9Confident127 Ų127113.2 Ų113.267%0.66558%0.581SS**Hα-helixtrans-63-44.4178-72.4169.1000112G285 A286 K287 F293G285-L289 WeakPolarHBondContact O-CG 3.46Å; G285-L289 PolarHBondContact O-N 3.41Å; A286-L289 PolarHBondContact O-N 3.41Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 3.16Å; L289-F293 PolarHBondContact O-N 2.9Å
290L91.6Very high81.4Confident122 Ų122116.6 Ų116.664%0.63960%0.598SS**Hα-helixtrans-72.1-36.6-178.3-67.3172.3000112.8A286 K287A286-L290 WeakPolarHBondContact O-CB 3.34Å; A286-L290 VanDerWaalsContact O-CG 3.26Å; A286-L290 WeakPolarHBondContact O-CG 3.26Å; A286-L290 PolarHBondContact O-N 3.44Å; K287-L290 PolarHBondContact O-N 2.82Å
291C88.9Confident80.9Confident60 Ų60116.4 Ų116.441%0.40561%0.605SS.*Hα-helixtrans-67.9-44.6176.3-720000111.5K287 F293 N294K287-C291 WeakPolarHBondContact O-CB 3.35Å; K287-C291 PolarHBondContact O-N 2.92Å; K287-C291 PolarHBondContact O-SG 3.24Å; C291-F293 PolarHBondContact O-N 2.91Å; C291-N294 PolarHBondContact O-N 3.41Å; C291-N294 VanDerWaalsContact O-N 3.15Å
292N84.9Confident80.4Confident88 Ų88119.9 Ų119.947%0.47162%0.618SS.*Hα-helixtrans-66-27.3-179.7-64.2-1000112.3S288 N294 E295S288-N292 WeakPolarHBondContact O-CB 3.5Å; S288-N292 PolarHBondContact O-N 3.29Å; S288-N292 VanDerWaalsContact O-N 3.07Å; S288-N292 PolarHBondContact O-ND2 3.46Å; S288-N292 PolarHBondContact O-OD1 2.88Å; N292-N294 VanDerWaalsContact C-N 3.26Å; N292-N294 PolarHBondContact O-N 3.35Å; N292-E295 PolarHBondContact O-N 3.06Å
293F77.8Confident79.9Confident161 Ų161116.3 Ų116.371%0.70661%0.614SS**Hα-helixtrans-67.7-23.7176.4-144.4-89.9000113.6L289 C291L289-F293 PolarHBondContact O-N 2.9Å; C291-F293 PolarHBondContact O-N 2.91Å
294N62.9Low79.1Confident139 Ų139118.3 Ų118.374%0.74363%0.628SS**Hα-helixtrans-84.9-15.1177.4-78.2-19.2000113C291 N292C291-N294 PolarHBondContact O-N 3.41Å; C291-N294 VanDerWaalsContact O-N 3.15Å; N292-N294 VanDerWaalsContact C-N 3.26Å; N292-N294 PolarHBondContact O-N 3.35Å
295E60.6Low78.3Confident160 Ų160119.4 Ų119.475%0.74863%0.634SS**Hα-helixtrans-91.3-17.4179.4-64.9-177.8178.300112.1N292 K297N292-E295 PolarHBondContact O-N 3.06Å; E295-K297 PolarHBondContact O-N 3.08Å
296E56.8Low77.3Confident165 Ų165126 Ų12677%0.77166%0.656SS**  trans-8979.9169-68.5-174.6174.600110.8
297K56.3Low76.3Confident184 Ų184134.2 Ų134.280%0.869%0.692SS**  trans-121.1140.1152.9-90.1-175.5179.4175.90109.6E295E295-K297 PolarHBondContact O-N 3.08Å
298P58.8Low74.9Confident201 Ų201133.5 Ų133.5100%1.30570%0.699SS**  trans-65.80-170.128.9-36.6000114

Retrieved 298 of 298 residues in 216.3 ms (Link to these results)