A0A3Q0KS98_SCHMA Loading...

PPP1R35_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 412 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
1M34.5Very low31.6Very low241 Ų241149.4 Ų149.4100%1.18781%0.807SS**  0100.50-80.6173.1155.300108.2
2S29.9Very low31.3Very low113 Ų113150 Ų15079%0.7981%0.807SS**  trans-79.3114177.134.90000109.1V4S2-V4 PolarHBondContact O-N 3.25Å; S2-V4 VanDerWaalsContact O-N 3.08Å
3I30.4Very low31.1Very low158 Ų158153 Ų15381%0.8180%0.802SS**  trans-73.8100.1177.5-54.3167.2000106.4L5I3-L5 PolarHBondContact O-N 3.02Å; I3-L5 VanDerWaalsContact O-N 3.16Å
4V32Very low31.1Very low126 Ų126149.6 Ų149.676%0.76479%0.793SS**  trans-63.7113.5171.1177.20000106.4S2 E6S2-V4 PolarHBondContact O-N 3.25Å; S2-V4 VanDerWaalsContact O-N 3.08Å; V4-E6 PolarHBondContact O-N 3.11Å
5L33.7Very low31.4Very low163 Ų163149.5 Ų149.585%0.85379%0.791SS**  trans-60.1104.6173.1-75.7163.4000107.7I3 S7I3-L5 PolarHBondContact O-N 3.02Å; I3-L5 VanDerWaalsContact O-N 3.16Å; L5-S7 PolarHBondContact O-N 3.09Å; L5-S7 VanDerWaalsContact O-N 3.15Å
6E30.1Very low31.5Very low172 Ų172147.8 Ų147.880%0.80479%0.788SS**  trans-47.5117.1176.7-141.2172.3-171.100109.3V4 Q8V4-E6 PolarHBondContact O-N 3.11Å; E6-Q8 PolarHBondContact O-N 3.36Å
7S33.2Very low31.5Very low108 Ų108149.8 Ų149.876%0.75579%0.788SS**  trans-59.1101.6-17856.30000109.7L5 P9L5-S7 PolarHBondContact O-N 3.09Å; L5-S7 VanDerWaalsContact O-N 3.15Å; S7-P9 WeakPolarHBondContact O-CD 3.49Å; S7-P9 VanDerWaalsContact O-N 3.15Å
8Q30.5Very low31.6Very low176 Ų176146.1 Ų146.182%0.82277%0.769SS**  trans-61.9113.1174.9-71.2-84.2-51.300109E6E6-Q8 PolarHBondContact O-N 3.36Å
9P30.9Very low32Very low98 Ų98143.9 Ų143.964%0.63677%0.765SS**  trans-80.6125.2-177.632.8-29.5000109S7S7-P9 WeakPolarHBondContact O-CD 3.49Å; S7-P9 VanDerWaalsContact O-N 3.15Å
10Y33.2Very low32.3Very low214 Ų214146.5 Ų146.584%0.83977%0.765SS**  trans59.391.7166-48.1-75.3000116.6I12Y10-I12 PolarHBondContact O-N 2.99Å
11A29.6Very low32.2Very low74 Ų74148.1 Ų148.161%0.61277%0.766SS**  trans-66.6103.2156.700000109Y13A11-Y13 HydrophobicContact CB-CE2 4.04Å; A11-Y13 VanDerWaalsContact O-CD2 3.27Å; A11-Y13 WeakPolarHBondContact O-CD2 3.41Å; A11-Y13 PolarHBondContact O-N 2.91Å; A11-Y13 VanDerWaalsContact O-N 3.1Å
12I28.3Very low32.1Very low157 Ų157142.2 Ų142.281%0.80574%0.743SS**  trans-74.498.3171.5-59.8173.3000107.1Y10 P14Y10-I12 PolarHBondContact O-N 2.99Å; I12-P14 WeakPolarHBondContact O-CD 3.34Å
13Y27.8Very low32.2Very low189 Ų189140.6 Ų140.674%0.74173%0.73SS**  trans-69.1124.6172-65.3-86.1000108.9A11 I15A11-Y13 HydrophobicContact CB-CE2 4.04Å; A11-Y13 VanDerWaalsContact O-CD2 3.27Å; A11-Y13 WeakPolarHBondContact O-CD2 3.41Å; A11-Y13 PolarHBondContact O-N 2.91Å; A11-Y13 VanDerWaalsContact O-N 3.1Å; Y13-I15 PolarHBondContact O-N 3.12Å
14P31.7Very low32.2Very low106 Ų106138.3 Ų138.369%0.68873%0.728SS**  trans-60.4116.7168.123.6-29.7000107.6I12 V16I12-P14 WeakPolarHBondContact O-CD 3.34Å; P14-V16 PolarHBondContact O-N 3.02Å
15I34.8Very low32.2Very low148 Ų148141.3 Ų141.376%0.75973%0.727SS**  trans-66.787.3170.3-59.2172.1000105.8Y13 F17Y13-I15 PolarHBondContact O-N 3.12Å; I15-F17 VanDerWaalsContact C-N 3.28Å; I15-F17 HydrophobicContact CG2-CD2 4.1Å; I15-F17 HydrophobicContact CG2-CE2 4.46Å; I15-F17 PolarHBondContact O-N 3.2Å
16V33.9Very low32Very low122 Ų122142.8 Ų142.874%0.73973%0.726SS**  trans-68.497.4168-178.20000105.3P14 N18P14-V16 PolarHBondContact O-N 3.02Å; V16-N18 VanDerWaalsContact C-N 3.28Å; V16-N18 PolarHBondContact O-N 3.08Å
17F31Very low32Very low181 Ų181145.7 Ų145.779%0.79473%0.73SS**  trans-5998.3167.7-115.2-90.2000106.4I15 P19I15-F17 VanDerWaalsContact C-N 3.28Å; I15-F17 HydrophobicContact CG2-CD2 4.1Å; I15-F17 HydrophobicContact CG2-CE2 4.46Å; I15-F17 PolarHBondContact O-N 3.2Å; F17-P19 WeakPolarHBondContact O-CD 3.3Å
18N34.2Very low31.7Very low83 Ų83148.3 Ų148.344%0.44474%0.735SS.*  trans-73.1108171.3-172.2-8.4000106.4V16 Y20 K21V16-N18 VanDerWaalsContact C-N 3.28Å; V16-N18 PolarHBondContact O-N 3.08Å; N18-Y20 PolarHBondContact O-N 3.24Å; N18-Y20 WeakPolarHBondContact OD1-CD2 3.41Å; N18-Y20 PolarHBondContact OD1-N 3.03Å; N18-K21 PolarHBondContact O-N 3.03Å; N18-K21 VanDerWaalsContact O-N 3.12Å
19P39Very low31.5Very low106 Ų106142.8 Ų142.869%0.68872%0.719SS**THydrogen-bonded Turntrans-63.9-7.8-176.527.7-34.4000112.8F17F17-P19 WeakPolarHBondContact O-CD 3.3Å
20Y37.1Very low31.3Very low195 Ų195144.7 Ų144.777%0.76573%0.729SS**THydrogen-bonded Turntrans-95.91.1178.2-56.6-70.9000114.9N18 V22N18-Y20 PolarHBondContact O-N 3.24Å; N18-Y20 WeakPolarHBondContact OD1-CD2 3.41Å; N18-Y20 PolarHBondContact OD1-N 3.03Å; Y20-V22 PolarHBondContact O-N 3.24Å
21K30Very low31.1Very low180 Ų180143.2 Ų143.278%0.78373%0.727SS**  trans-77.274.2169.1-89-173.1174.8179.80109.7N18N18-K21 PolarHBondContact O-N 3.03Å; N18-K21 VanDerWaalsContact O-N 3.12Å
22V32.4Very low31.1Very low117 Ų117144.1 Ų144.171%0.70973%0.729SS**  trans-61.9126.9160.4-174.90000106.4Y20 S24Y20-V22 PolarHBondContact O-N 3.24Å; V22-S24 PolarHBondContact O-N 3.1Å
23P33.3Very low31.2Very low79 Ų79144.4 Ų144.451%0.51373%0.732SS.*  trans-54.5116.5173.617-26.2000108.1Y25P23-Y25 HydrophobicContact CB-CE2 4.25Å; P23-Y25 HydrophobicContact CG-CE2 3.81Å; P23-Y25 VanDerWaalsContact O-CD2 3.24Å; P23-Y25 WeakPolarHBondContact O-CD2 3.4Å; P23-Y25 PolarHBondContact O-N 2.9Å
24S29.4Very low31.2Very low110 Ų110141.9 Ų141.977%0.76973%0.73SS**  trans-66.888.5171.459.20000106.9V22 K26V22-S24 PolarHBondContact O-N 3.1Å; S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.31Å
25Y31.9Very low31Very low189 Ų189142.5 Ų142.574%0.74173%0.734SS**  trans-59.6106.7162.8-62.1-81.7000105.4P23 R27P23-Y25 HydrophobicContact CB-CE2 4.25Å; P23-Y25 HydrophobicContact CG-CE2 3.81Å; P23-Y25 VanDerWaalsContact O-CD2 3.24Å; P23-Y25 WeakPolarHBondContact O-CD2 3.4Å; P23-Y25 PolarHBondContact O-N 2.9Å; Y25-R27 PolarHBondContact O-N 3.44Å
26K30.1Very low30.6Very low194 Ų194145.2 Ų145.284%0.84374%0.741SS**  trans-58.995.6162.3-75.5-176.3177.9-1780104.9S24 L28S24-K26 VanDerWaalsContact C-N 3.34Å; S24-K26 PolarHBondContact O-N 3.31Å; K26-L28 VanDerWaalsContact C-N 3.3Å; K26-L28 PolarHBondContact O-N 3.25Å
27R29.1Very low30.3Very low234 Ų234148.8 Ų148.888%0.88375%0.747SS**  trans-61.3104.9165-76.9-174.2-168.8176.42.8104.6Y25 A29Y25-R27 PolarHBondContact O-N 3.44Å; R27-A29 PolarHBondContact O-N 3.45Å
28L26.7Very low30.1Very low163 Ų163148.6 Ų148.685%0.85375%0.748SS**  trans-62.585.7155.8-67.3167.9000104.4K26 T30K26-L28 VanDerWaalsContact C-N 3.3Å; K26-L28 PolarHBondContact O-N 3.25Å; L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 2.85Å
29A27.4Very low29.8Very low60 Ų60152.4 Ų152.450%0.49677%0.768SS.*  trans-67.7100.2165.500000104.7R27 F31R27-A29 PolarHBondContact O-N 3.45Å; A29-F31 HydrophobicContact CB-CD2 4.3Å; A29-F31 HydrophobicContact CB-CE2 4.09Å; A29-F31 VanDerWaalsContact O-CD2 3.23Å; A29-F31 WeakPolarHBondContact O-CD2 3.36Å; A29-F31 PolarHBondContact O-N 2.84Å
30T27.1Very low29.3Very low137 Ų137155.5 Ų155.584%0.8477%0.773SS**  trans-58.294.5155.933.80000105.7L28 S32L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 2.85Å; T30-S32 PolarHBondContact O-N 3.31Å
31F27.4Very low29.1Very low183 Ų183154.9 Ų154.980%0.80378%0.777SS**  trans-63.3107.6172.9-78.9-88.8000106.8A29A29-F31 HydrophobicContact CB-CD2 4.3Å; A29-F31 HydrophobicContact CB-CE2 4.09Å; A29-F31 VanDerWaalsContact O-CD2 3.23Å; A29-F31 WeakPolarHBondContact O-CD2 3.36Å; A29-F31 PolarHBondContact O-N 2.84Å
32S30.6Very low29Very low94 Ų94152.6 Ų152.666%0.65778%0.778SS**  trans-69.6129.9159.653.50000107.8T30 I34T30-S32 PolarHBondContact O-N 3.31Å; S32-I34 PolarHBondContact O-N 3.03Å
33D29.2Very low28.9Very low163 Ų163152.6 Ų152.687%0.87278%0.783SS**SBendtrans-56.679.6-171.2-58.7-62.7000115.1
34I28.5Very low28.6Very low136 Ų136154.6 Ų154.670%0.69779%0.794SS**  trans-127.7110.5168.4-52.9178.4000109.1S32 F36S32-I34 PolarHBondContact O-N 3.03Å; I34-F36 PolarHBondContact O-N 3.22Å
35P28Very low28.6Very low119 Ų119155.7 Ų155.777%0.77379%0.791SS**  trans-66.5118.8179.324.7-30.7000110.2K37P35-K37 PolarHBondContact O-N 3.01Å
36F26.1Very low28.5Very low204 Ų204153.8 Ų153.890%0.89579%0.794SS**  trans-66.6116.2169.3-107.2-98.3000108.7I34 E38I34-F36 PolarHBondContact O-N 3.22Å; F36-E38 PolarHBondContact O-N 3.3Å
37K27.6Very low28.4Very low198 Ų198152.2 Ų152.286%0.86179%0.789SS**  trans-66.2110.8167.6-80.9179.6174178.70108.6P35 L39P35-K37 PolarHBondContact O-N 3.01Å; K37-L39 PolarHBondContact O-N 2.97Å
38E27.5Very low28.5Very low177 Ų177145.9 Ų145.983%0.82778%0.781SS**  trans-61.4118.7168.5-82.6179.1148.500109.6F36 H40F36-E38 PolarHBondContact O-N 3.3Å; E38-H40 PolarHBondContact O-N 2.93Å
39L27.4Very low28.7Very low163 Ų163143.3 Ų143.385%0.85378%0.777SS**  trans-77.8108.9169.9-102142.7000108.2K37 E41K37-L39 PolarHBondContact O-N 2.97Å; L39-E41 PolarHBondContact O-N 3.34Å; L39-E41 VanDerWaalsContact O-N 3.11Å
40H28.8Very low28.9Very low171 Ų171147 Ų14779%0.79279%0.788SS**  trans-65.699.6168.8-79.8-82.4000110E38E38-H40 PolarHBondContact O-N 2.93Å
41E31.5Very low29Very low182 Ų182150.4 Ų150.485%0.8579%0.791SS**  trans-91.4106.3162.9-80.1-173.8169.500109.2L39 S43L39-E41 PolarHBondContact O-N 3.34Å; L39-E41 VanDerWaalsContact O-N 3.11Å; E41-S43 PolarHBondContact O-N 3.34Å
42T28.1Very low29.3Very low132 Ų132149 Ų14981%0.8179%0.79SS**  trans-74.296.4172.237.70000109.9T44T42-T44 PolarHBondContact O-N 3.19Å
43S31Very low29.2Very low116 Ų116155.4 Ų155.481%0.81180%0.8SS**  trans-86105.8170.269.20000110.1E41E41-S43 PolarHBondContact O-N 3.34Å
44T28.1Very low29.1Very low121 Ų121155.2 Ų155.274%0.74280%0.798SS**  trans-64125.6172.541.50000111.9T42T42-T44 PolarHBondContact O-N 3.19Å
45D28.1Very low29.4Very low134 Ų134155.6 Ų155.672%0.71780%0.797SS**  trans-84105.5179-139.8-8.8000109.4H47D45-H47 PolarHBondContact O-N 3.13Å; D45-H47 IonicContact OD2-NE2 3.97Å
46N30.6Very low29.5Very low149 Ų149157 Ų15780%0.79780%0.798SS**  trans-93.292.2178.4-75.8-28.4000109.7S48N46-S48 PolarHBondContact O-N 2.8Å
47H27.5Very low29.8Very low161 Ų161156.8 Ų156.875%0.74579%0.793SS**  trans-79.4101.5163.7-67.5-62.7000109.6D45D45-H47 PolarHBondContact O-N 3.13Å; D45-H47 IonicContact OD2-NE2 3.97Å
48S31.2Very low29.7Very low100 Ų100153.1 Ų153.170%0.69979%0.792SS**  trans-104.5117.9162.987.30000110.2N46N46-S48 PolarHBondContact O-N 2.8Å
49S30.4Very low29.9Very low110 Ų110149.3 Ų149.377%0.76979%0.791SS**  trans-94.592.7-177-55.50000109.3K51S49-K51 PolarHBondContact O-N 3.17Å
50D32.7Very low29.9Very low136 Ų136150.3 Ų150.373%0.72779%0.788SS**  trans-88.393.4176.4-74.2-20.2000110.7I52D50-I52 PolarHBondContact O-N 3.22Å
51K29.3Very low29.9Very low210 Ų210149.2 Ų149.291%0.91379%0.788SS**  trans-72.5100.2160.1-80.9176.9175.11760108.3S49S49-K51 PolarHBondContact O-N 3.17Å
52I34Very low29.8Very low154 Ų154145.8 Ų145.879%0.7978%0.784SS**  trans-104.9123.9168.8-59.7178.1000109.2D50D50-I52 PolarHBondContact O-N 3.22Å
53R28.6Very low29.8Very low227 Ų227145.9 Ų145.986%0.85779%0.79SS**  trans-49.7142.8-179.4-107.9164.5160.6157-7.3113.7E55R53-E55 PolarHBondContact O-N 3.47Å
54L26.5Very low30Very low159 Ų159144.1 Ų144.183%0.83278%0.778SS**  trans-54.5123.8155.2-98.678.6000109.4
55E34.3Very low30.3Very low145 Ų145146.8 Ų146.868%0.67879%0.787SS**  trans-128.4118.3157.6-82.2-108.1154.500107.4R53 Y57R53-E55 PolarHBondContact O-N 3.47Å; E55-Y57 HydrophobicContact CB-CD2 4.45Å; E55-Y57 HydrophobicContact CB-CE2 4.43Å; E55-Y57 PolarHBondContact O-N 3.01Å; E55-Y57 WeakPolarHBondContact OE2-CE2 3.17Å
56D29.9Very low30.6Very low148 Ų148145.1 Ų145.179%0.79178%0.784SS**  trans-71.2107.8177.3-68.7-47.8000110.1
57Y31.9Very low30.8Very low199 Ų199144.3 Ų144.378%0.7878%0.779SS**  trans-123.4102.3163.2-79.6-77000111.6E55E55-Y57 HydrophobicContact CB-CD2 4.45Å; E55-Y57 HydrophobicContact CB-CE2 4.43Å; E55-Y57 PolarHBondContact O-N 3.01Å; E55-Y57 WeakPolarHBondContact OE2-CE2 3.17Å
58S26.5Very low31.5Very low122 Ų122141.8 Ų141.885%0.85377%0.771SS**  trans-55.2119152.7163.90000110.5
59A31.3Very low32.4Very low96 Ų96145 Ų14579%0.79378%0.775SS**  trans-169.2131.2140.200000111.5
60K27.8Very low33.4Very low185 Ų185142.8 Ų142.880%0.80476%0.76SS**  trans-42.8148.3172.3-68.8168.4174.9178.20115.7
61D29.3Very low34.1Very low148 Ų148139.5 Ų139.579%0.79174%0.742SS**  trans5881.4141.8-55.9-25.4000118.2
62S29.2Very low35Very low110 Ų110133.3 Ų133.377%0.76972%0.722SS**  trans-160.499.3139.4-6.30000109.6S64S62-S64 PolarHBondContact O-N 3.01Å
63S28.8Very low35.9Very low133 Ų133135.4 Ų135.493%0.9372%0.72SS**  trans-72.166168.362.10000109.8
64S33.7Very low37Very low79 Ų79131.1 Ų131.155%0.55271%0.708SS**  trans-83123.5158.568.10000106.2S62 C66S62-S64 PolarHBondContact O-N 3.01Å; S64-C66 PolarHBondContact O-N 2.94Å; S64-C66 PolarHBondContact OG-SG 3.47Å
65L34.2Very low37.9Very low178 Ų178131.6 Ų131.693%0.93270%0.699SS**  trans-63.767.3163.8-87.6152.6000107.9L67L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 2.92Å
66C34.2Very low39.3Very low98 Ų98127.2 Ų127.266%0.66269%0.685SS**  trans-66.597.5163.1-86.40000105.5S64 N68S64-C66 PolarHBondContact O-N 2.94Å; S64-C66 PolarHBondContact OG-SG 3.47Å; C66-N68 VanDerWaalsContact C-N 3.34Å; C66-N68 PolarHBondContact O-N 2.69Å
67L36Very low40.9Very low132 Ų132123.8 Ų123.869%0.69167%0.669SS**  trans-48.4108.7158-75.5166.6000105.9L65 E69 V72L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 2.92Å; L67-E69 PolarHBondContact O-N 3.3Å; L67-E69 VanDerWaalsContact O-N 3.08Å; L67-V72 HydrophobicContact CB-CG2 4.09Å
68N42.2Very low42.1Very low108 Ų108116.9 Ų116.958%0.57865%0.653SS**  trans-39.4122.5177.4-90.9-23000108.8C66 S70 N71 V72C66-N68 VanDerWaalsContact C-N 3.34Å; C66-N68 PolarHBondContact O-N 2.69Å; N68-S70 PolarHBondContact O-N 2.96Å; N68-N71 WeakPolarHBondContact O-CB 3.47Å; N68-N71 PolarHBondContact O-N 3.44Å; N68-V72 PolarHBondContact O-N 3.14Å
69E49.4Very low43.4Very low167 Ų167116.3 Ų116.378%0.7864%0.64SS**Hα-helixtrans-51.3-28.4-178.1-78.8-174.5132.500112.2L67 N71 V72 R73L67-E69 PolarHBondContact O-N 3.3Å; L67-E69 VanDerWaalsContact O-N 3.08Å; E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 PolarHBondContact O-N 3Å; E69-V72 PolarHBondContact O-N 3.45Å; E69-R73 PolarHBondContact O-N 2.97Å
70S52.3Low45Very low65 Ų65118.7 Ų118.746%0.45563%0.632SS.*Hα-helixtrans-59.8-38.2173.666.20000113.3N68 K74N68-S70 PolarHBondContact O-N 2.96Å; S70-K74 VanDerWaalsContact O-CG 3.29Å; S70-K74 WeakPolarHBondContact O-CG 3.26Å; S70-K74 PolarHBondContact O-N 3.32Å
71N47Very low46.6Very low66 Ų66118.7 Ų118.735%0.35363%0.627SS.*Hα-helixtrans-72.8-41176.7-74.4-20.3000111.4N68 E69 R73 K74 Y75N68-N71 WeakPolarHBondContact O-CB 3.47Å; N68-N71 PolarHBondContact O-N 3.44Å; E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 PolarHBondContact O-N 3Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.92Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.21Å; N71-K74 VanDerWaalsContact O-N 3.14Å; N71-Y75 WeakPolarHBondContact O-CD2 3.4Å; N71-Y75 PolarHBondContact O-N 2.8Å
72V47.7Very low48Very low80 Ų80116.8 Ų116.849%0.48561%0.613SS.*Hα-helixtrans-61.5-42.7176.2-178.30000110.7L67 N68 E69 Y75 S76L67-V72 HydrophobicContact CB-CG2 4.09Å; N68-V72 PolarHBondContact O-N 3.14Å; E69-V72 PolarHBondContact O-N 3.45Å; V72-Y75 PolarHBondContact O-N 3.29Å; V72-S76 WeakPolarHBondContact O-CB 3.46Å; V72-S76 PolarHBondContact O-N 3.48Å
73R52.6Low49.3Very low199 Ų199115 Ų11575%0.75160%0.597SS**Hα-helixtrans-63-40172.9-81.2-174.7177.1-174.41.5112.7E69 N71 S76 T77E69-R73 PolarHBondContact O-N 2.97Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.92Å; R73-S76 PolarHBondContact O-N 3Å; R73-T77 WeakPolarHBondContact O-CB 3.44Å; R73-T77 WeakPolarHBondContact O-CG2 3.41Å; R73-T77 PolarHBondContact O-N 3.13Å; R73-T77 PolarHBondContact O-OG1 2.84Å
74K52.1Low51Low137 Ų137113.1 Ų113.160%0.59658%0.577SS**Hα-helixtrans-63.1-44.3175.7-78.3175-177.8178.80112.2S70 N71 T77 A78S70-K74 VanDerWaalsContact O-CG 3.29Å; S70-K74 WeakPolarHBondContact O-CG 3.26Å; S70-K74 PolarHBondContact O-N 3.32Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.21Å; N71-K74 VanDerWaalsContact O-N 3.14Å; K74-T77 WeakPolarHBondContact CA-OG1 3.13Å; K74-T77 PolarHBondContact O-N 2.88Å; K74-T77 PolarHBondContact O-OG1 2.97Å; K74-A78 WeakPolarHBondContact O-CB 3.36Å; K74-A78 PolarHBondContact O-N 2.95Å
75Y45.9Very low52.7Low168 Ų168113.1 Ų113.166%0.65957%0.57SS**Hα-helixtrans-67.1-42.8176.8-78.4-70.9000112.1N71 V72 T77 A78 I79N71-Y75 WeakPolarHBondContact O-CD2 3.4Å; N71-Y75 PolarHBondContact O-N 2.8Å; V72-Y75 PolarHBondContact O-N 3.29Å; Y75-T77 VanDerWaalsContact C-N 3.33Å; Y75-T77 PolarHBondContact O-N 3.16Å; Y75-A78 PolarHBondContact O-N 3.33Å; Y75-I79 VanDerWaalsContact O-CG1 3.32Å; Y75-I79 WeakPolarHBondContact O-CG1 3.43Å; Y75-I79 PolarHBondContact O-N 3.49Å
76S63.8Low54Low54 Ų54109.7 Ų109.738%0.37855%0.549SS..Hα-helixtrans-59-43.9176.4-178.80000112.1V72 R73 I79 K80V72-S76 WeakPolarHBondContact O-CB 3.46Å; V72-S76 PolarHBondContact O-N 3.48Å; R73-S76 PolarHBondContact O-N 3Å; S76-I79 PolarHBondContact O-N 3.08Å; S76-K80 WeakPolarHBondContact O-CG 3.36Å; S76-K80 PolarHBondContact O-N 3.36Å
77T62.9Low55.5Low75 Ų75108.8 Ų108.846%0.4654%0.538SS..Hα-helixtrans-69-37.9177.8480000112.4R73 K74 Y75 K80 R81R73-T77 WeakPolarHBondContact O-CB 3.44Å; R73-T77 WeakPolarHBondContact O-CG2 3.41Å; R73-T77 PolarHBondContact O-N 3.13Å; R73-T77 PolarHBondContact O-OG1 2.84Å; K74-T77 WeakPolarHBondContact CA-OG1 3.13Å; K74-T77 PolarHBondContact O-N 2.88Å; K74-T77 PolarHBondContact O-OG1 2.97Å; Y75-T77 VanDerWaalsContact C-N 3.33Å; Y75-T77 PolarHBondContact O-N 3.16Å; T77-K80 PolarHBondContact O-N 2.91Å; T77-R81 WeakPolarHBondContact O-CG 3.44Å; T77-R81 PolarHBondContact O-N 3.26Å
78A58.2Low57.3Low54 Ų54108.7 Ų108.745%0.44653%0.532SS..Hα-helixtrans-62.7-44.8174.500000112.3K74 Y75 R81 Q82K74-A78 WeakPolarHBondContact O-CB 3.36Å; K74-A78 PolarHBondContact O-N 2.95Å; Y75-A78 PolarHBondContact O-N 3.33Å; A78-R81 PolarHBondContact O-N 3.36Å; A78-Q82 PolarHBondContact O-N 3.48Å
79I53.1Low58.4Low111 Ų111109.9 Ų109.957%0.56953%0.532SS*.Hα-helixtrans-63.3-45.6177.2-66.1166.8000110.6Y75 S76 R81 Q82 V83Y75-I79 VanDerWaalsContact O-CG1 3.32Å; Y75-I79 WeakPolarHBondContact O-CG1 3.43Å; Y75-I79 PolarHBondContact O-N 3.49Å; S76-I79 PolarHBondContact O-N 3.08Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.35Å; I79-Q82 PolarHBondContact O-N 2.86Å; I79-V83 HydrophobicContact CG2-CG2 4.47Å; I79-V83 WeakPolarHBondContact O-CG2 3.3Å; I79-V83 PolarHBondContact O-N 3.11Å
80K63.8Low58.9Low146 Ų146107.2 Ų107.264%0.63552%0.519SS*.Hα-helixtrans-60-40.3176.4-75.8-179.4-179.5-178.20112.4S76 T77 N84S76-K80 WeakPolarHBondContact O-CG 3.36Å; S76-K80 PolarHBondContact O-N 3.36Å; T77-K80 PolarHBondContact O-N 2.91Å; K80-N84 WeakPolarHBondContact O-CB 3.31Å; K80-N84 PolarHBondContact O-N 3.44Å; K80-N84 VanDerWaalsContact O-N 3.13Å
81R62.1Low59.8Low185 Ų185108.9 Ų108.970%0.69852%0.522SS*.Hα-helixtrans-63-44.1174.8-76.3178.7-179.3178.60.4111.4T77 A78 I79 N84 I85T77-R81 WeakPolarHBondContact O-CG 3.44Å; T77-R81 PolarHBondContact O-N 3.26Å; A78-R81 PolarHBondContact O-N 3.36Å; I79-R81 VanDerWaalsContact C-N 3.33Å; I79-R81 PolarHBondContact O-N 3.35Å; R81-N84 PolarHBondContact O-N 3.32Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.35Å; R81-I85 PolarHBondContact O-N 2.96Å
82Q57.9Low60.7Low107 Ų107110.7 Ų110.750%0.553%0.532SS..Hα-helixtrans-63-46.8-179.5-166.666.220.700112.1A78 I79 N84 I85 E86A78-Q82 PolarHBondContact O-N 3.48Å; I79-Q82 PolarHBondContact O-N 2.86Å; Q82-N84 VanDerWaalsContact C-N 3.29Å; Q82-N84 PolarHBondContact O-N 2.93Å; Q82-I85 PolarHBondContact O-N 2.91Å; Q82-E86 PolarHBondContact O-N 3.27Å
83V57.9Low61.3Low72 Ų72113.4 Ų113.444%0.43654%0.539SS..Hα-helixtrans-60.6-39.5176.8173.70000111.2I79 E86 N87I79-V83 HydrophobicContact CG2-CG2 4.47Å; I79-V83 WeakPolarHBondContact O-CG2 3.3Å; I79-V83 PolarHBondContact O-N 3.11Å; V83-E86 PolarHBondContact O-N 3.27Å; V83-N87 WeakPolarHBondContact O-CB 3.46Å; V83-N87 PolarHBondContact O-N 3.48Å
84N63.5Low62.3Low94 Ų94111.2 Ų111.250%0.50354%0.535SS..Hα-helixtrans-69.5-34.9179.2-150.2-3000112.3K80 R81 Q82 K88K80-N84 WeakPolarHBondContact O-CB 3.31Å; K80-N84 PolarHBondContact O-N 3.44Å; K80-N84 VanDerWaalsContact O-N 3.13Å; R81-N84 PolarHBondContact O-N 3.32Å; Q82-N84 VanDerWaalsContact C-N 3.29Å; Q82-N84 PolarHBondContact O-N 2.93Å; N84-K88 WeakPolarHBondContact O-CB 3.47Å; N84-K88 WeakPolarHBondContact O-CG 3.24Å; N84-K88 PolarHBondContact O-N 3.49Å
85I68.8Low63.1Low80 Ų80108.1 Ų108.141%0.4153%0.528SS..Hα-helixtrans-65.1-42.7173.5-68.1163.2000110.8R81 Q82 K88 K89R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.35Å; R81-I85 PolarHBondContact O-N 2.96Å; Q82-I85 PolarHBondContact O-N 2.91Å; I85-K88 PolarHBondContact O-N 2.64Å; I85-K89 WeakPolarHBondContact O-CG 3.3Å; I85-K89 PolarHBondContact O-N 2.74Å
86E62.7Low64.1Low105 Ų105105.2 Ų105.249%0.49152%0.523SS..Hα-helixtrans-66.2-42.9177.1-75.7-176.4176.600112.4Q82 V83 K88 K89 Q90Q82-E86 PolarHBondContact O-N 3.27Å; V83-E86 PolarHBondContact O-N 3.27Å; E86-K88 VanDerWaalsContact C-N 3.35Å; E86-K88 PolarHBondContact O-N 3.03Å; E86-K89 PolarHBondContact O-N 2.78Å; E86-Q90 PolarHBondContact O-N 3.32Å
87N65.9Low64.1Low79 Ų79109.7 Ų109.742%0.42254%0.536SS..Hα-helixtrans-61-43.1174.9-74.4-15.5000111.6V83 K89 Q90 I91V83-N87 WeakPolarHBondContact O-CB 3.46Å; V83-N87 PolarHBondContact O-N 3.48Å; N87-K89 PolarHBondContact O-N 3.08Å; N87-Q90 PolarHBondContact O-N 3.2Å; N87-I91 VanDerWaalsContact O-CG1 3.25Å; N87-I91 WeakPolarHBondContact O-CG1 3.46Å; N87-I91 PolarHBondContact O-N 3.36Å
88K72.5Confident64.5Low131 Ų131114.1 Ų114.157%0.5755%0.549SS*.Hα-helixtrans-61.5-41.4173.7-79-176.7177.8-172.90112.4N84 I85 E86 I91 N92N84-K88 WeakPolarHBondContact O-CB 3.47Å; N84-K88 WeakPolarHBondContact O-CG 3.24Å; N84-K88 PolarHBondContact O-N 3.49Å; I85-K88 PolarHBondContact O-N 2.64Å; E86-K88 VanDerWaalsContact C-N 3.35Å; E86-K88 PolarHBondContact O-N 3.03Å; K88-I91 PolarHBondContact O-N 2.68Å; K88-N92 WeakPolarHBondContact O-CB 3.38Å; K88-N92 VanDerWaalsContact O-CG 3.26Å; K88-N92 PolarHBondContact O-N 3.28Å
89K66.9Low64.9Low132 Ų132115 Ų11557%0.57455%0.549SS*.Hα-helixtrans-61.7-43.4175.3-76.7179.9-179.61800111.8I85 E86 N87 N92 Q93I85-K89 WeakPolarHBondContact O-CG 3.3Å; I85-K89 PolarHBondContact O-N 2.74Å; E86-K89 PolarHBondContact O-N 2.78Å; N87-K89 PolarHBondContact O-N 3.08Å; K89-N92 PolarHBondContact O-N 2.97Å; K89-Q93 WeakPolarHBondContact O-CG 3.48Å; K89-Q93 PolarHBondContact O-N 3.14Å
90Q59.7Low65.2Low111 Ų111113.4 Ų113.452%0.51954%0.541SS..Hα-helixtrans-65.7-41.4176.6-74.2-168.712.800112.6E86 N87 Q93 K94E86-Q90 PolarHBondContact O-N 3.32Å; N87-Q90 PolarHBondContact O-N 3.2Å; Q90-Q93 PolarHBondContact O-N 2.76Å; Q90-K94 WeakPolarHBondContact O-CG 3.37Å; Q90-K94 PolarHBondContact O-N 3.08Å
91I71Confident65.3Low100 Ų100112.7 Ų112.751%0.51354%0.538SS..Hα-helixtrans-61.9-45.8175.9-68.3163.8000110.1N87 K88 Q93 K94 T95N87-I91 VanDerWaalsContact O-CG1 3.25Å; N87-I91 WeakPolarHBondContact O-CG1 3.46Å; N87-I91 PolarHBondContact O-N 3.36Å; K88-I91 PolarHBondContact O-N 2.68Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.13Å; I91-K94 PolarHBondContact O-N 2.89Å; I91-T95 PolarHBondContact O-N 3.5Å; I91-T95 PolarHBondContact O-OG1 3.04Å
92N65.5Low65.6Low105 Ų105110.4 Ų110.456%0.56153%0.533SS*.Hα-helixtrans-63-35.7177.4-73.3-8.9000112.7K88 K89 T95 L96K88-N92 WeakPolarHBondContact O-CB 3.38Å; K88-N92 VanDerWaalsContact O-CG 3.26Å; K88-N92 PolarHBondContact O-N 3.28Å; K89-N92 PolarHBondContact O-N 2.97Å; N92-T95 WeakPolarHBondContact CA-OG1 3.49Å; N92-T95 PolarHBondContact O-OG1 2.9Å; N92-L96 VanDerWaalsContact O-CB 3.28Å; N92-L96 WeakPolarHBondContact O-CB 3.2Å; N92-L96 PolarHBondContact O-N 2.94Å
93Q60.7Low65.8Low136 Ų136110.6 Ų110.664%0.63653%0.534SS*.Hα-helixtrans-67.9-41.3173.3-77.8-178.6-11.500112.1K89 Q90 I91 L96 F97K89-Q93 WeakPolarHBondContact O-CG 3.48Å; K89-Q93 PolarHBondContact O-N 3.14Å; Q90-Q93 PolarHBondContact O-N 2.76Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.13Å; Q93-L96 PolarHBondContact O-N 3.03Å; Q93-F97 WeakPolarHBondContact O-CB 3.35Å; Q93-F97 PolarHBondContact O-N 2.91Å
94K73.9Confident65.5Low154 Ų154112 Ų11267%0.6754%0.538SS*.Hα-helixtrans-64-41.8176.1-76.1-179178.4179.10112Q90 I91 F97 K98Q90-K94 WeakPolarHBondContact O-CG 3.37Å; Q90-K94 PolarHBondContact O-N 3.08Å; I91-K94 PolarHBondContact O-N 2.89Å; K94-F97 PolarHBondContact O-N 3.34Å; K94-K98 PolarHBondContact O-N 3.49Å
95T68.4Low65.1Low72 Ų72113.2 Ų113.244%0.44254%0.541SS..Hα-helixtrans-67-43176.153.10000111.4I91 N92 F97 K98 T99I91-T95 PolarHBondContact O-N 3.5Å; I91-T95 PolarHBondContact O-OG1 3.04Å; N92-T95 WeakPolarHBondContact CA-OG1 3.49Å; N92-T95 PolarHBondContact O-OG1 2.9Å; T95-F97 VanDerWaalsContact C-N 3.33Å; T95-F97 PolarHBondContact O-N 2.88Å; T95-K98 PolarHBondContact O-N 3.08Å; T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.45Å
96L67.2Low64.4Low106 Ų106114 Ų11456%0.55555%0.546SS*.Hα-helixtrans-56.8-45.9174.1-173.577.3000111.7N92 Q93 K98 T99 I100N92-L96 VanDerWaalsContact O-CB 3.28Å; N92-L96 WeakPolarHBondContact O-CB 3.2Å; N92-L96 PolarHBondContact O-N 2.94Å; Q93-L96 PolarHBondContact O-N 3.03Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.92Å; L96-T99 PolarHBondContact O-N 3.19Å; L96-I100 HydrophobicContact CD2-CD1 4.47Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.46Å
97F63.4Low63.8Low149 Ų149116.8 Ų116.865%0.65455%0.552SS**Hα-helixtrans-63.9-39.7178.8-158-89.1000111.9Q93 K94 T95 I100 K101Q93-F97 WeakPolarHBondContact O-CB 3.35Å; Q93-F97 PolarHBondContact O-N 2.91Å; K94-F97 PolarHBondContact O-N 3.34Å; T95-F97 VanDerWaalsContact C-N 3.33Å; T95-F97 PolarHBondContact O-N 2.88Å; F97-I100 PolarHBondContact O-N 3.04Å; F97-K101 WeakPolarHBondContact O-CB 3.4Å; F97-K101 PolarHBondContact O-N 3.44Å
98K71Confident62.9Low167 Ų167117 Ų11773%0.72656%0.559SS**Hα-helixtrans-64-40.2175-166.3176.3-178.8-179.90111.8K94 T95 L96 K101 K102K94-K98 PolarHBondContact O-N 3.49Å; T95-K98 PolarHBondContact O-N 3.08Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.92Å; K98-K101 PolarHBondContact O-N 3.25Å; K98-K102 WeakPolarHBondContact O-CB 3.19Å; K98-K102 PolarHBondContact O-N 2.98Å
99T67.3Low61.7Low74 Ų74119.3 Ų119.345%0.45457%0.572SS.*Hα-helixtrans-65.4-45.6175.9-55.90000111.7T95 L96 K101 K102 Q103T95-T99 PolarHBondContact O-N 3.43Å; T95-T99 PolarHBondContact O-OG1 3.45Å; L96-T99 PolarHBondContact O-N 3.19Å; T99-K101 VanDerWaalsContact C-N 3.34Å; T99-K101 PolarHBondContact O-N 3.4Å; T99-K102 PolarHBondContact O-N 3.04Å; T99-Q103 WeakPolarHBondContact O-CB 3.45Å; T99-Q103 WeakPolarHBondContact O-CG 3.31Å; T99-Q103 PolarHBondContact O-N 3.15Å
100I60Low60.6Low76 Ų76118.7 Ų118.739%0.3957%0.574SS.*Hα-helixtrans-62.2-44.2177-67.4166.9000110.3L96 F97 K102 Q103 L104L96-I100 HydrophobicContact CD2-CD1 4.47Å; L96-I100 HydrophobicContact CG-CD1 4.05Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.46Å; F97-I100 PolarHBondContact O-N 3.04Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.93Å; I100-Q103 PolarHBondContact O-N 3.03Å; I100-L104 HydrophobicContact CG2-CD1 4.01Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 2.89Å; I100-L104 PolarHBondContact O-N 3.46Å
101K64.3Low59.6Low132 Ų132115.3 Ų115.357%0.57457%0.569SS**Hα-helixtrans-59.8-44.3176.6-171.2178179.6-178.70111.5F97 K98 T99 L104 Q105F97-K101 WeakPolarHBondContact O-CB 3.4Å; F97-K101 PolarHBondContact O-N 3.44Å; K98-K101 PolarHBondContact O-N 3.25Å; T99-K101 VanDerWaalsContact C-N 3.34Å; T99-K101 PolarHBondContact O-N 3.4Å; K101-L104 PolarHBondContact O-N 2.96Å; K101-Q105 WeakPolarHBondContact O-CB 3.42Å; K101-Q105 PolarHBondContact O-N 3.02Å
102K69.7Low58.2Low136 Ų136117.6 Ų117.659%0.59158%0.582SS**Hα-helixtrans-63.7-44.5176.1-169.3-179.2176.3-175.50111.8K98 T99 I100 L104 Q105 D106K98-K102 WeakPolarHBondContact O-CB 3.19Å; K98-K102 PolarHBondContact O-N 2.98Å; T99-K102 PolarHBondContact O-N 3.04Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.93Å; K102-L104 VanDerWaalsContact C-N 3.28Å; K102-L104 PolarHBondContact O-N 3.19Å; K102-Q105 PolarHBondContact O-N 2.75Å; K102-Q105 VanDerWaalsContact O-N 3.13Å; K102-D106 WeakPolarHBondContact O-CB 3.08Å; K102-D106 VanDerWaalsContact O-CG 3.26Å; K102-D106 PolarHBondContact O-N 3.17Å
103Q60.6Low57Low111 Ų111118.1 Ų118.152%0.51959%0.585SS.*Hα-helixtrans-61.4-34.5175.9-74.7179.5-1500113T99 I100 R107T99-Q103 WeakPolarHBondContact O-CB 3.45Å; T99-Q103 WeakPolarHBondContact O-CG 3.31Å; T99-Q103 PolarHBondContact O-N 3.15Å; I100-Q103 PolarHBondContact O-N 3.03Å; Q103-R107 VanDerWaalsContact O-CB 3.26Å; Q103-R107 WeakPolarHBondContact O-CB 3.37Å; Q103-R107 WeakPolarHBondContact O-CG 3.45Å; Q103-R107 PolarHBondContact O-N 3.14Å; Q103-R107 VanDerWaalsContact O-N 3.17Å
104L51.8Low56Low101 Ų101119.6 Ų119.653%0.52959%0.585SS.*Hα-helixtrans-73.9-35174.6-70.4173.1000112.1I100 K101 K102 R107 S108I100-L104 HydrophobicContact CG2-CD1 4.01Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 2.89Å; I100-L104 PolarHBondContact O-N 3.46Å; K101-L104 PolarHBondContact O-N 2.96Å; K102-L104 VanDerWaalsContact C-N 3.28Å; K102-L104 PolarHBondContact O-N 3.19Å; L104-R107 PolarHBondContact O-N 3.04Å; L104-S108 PolarHBondContact O-N 3.23Å
105Q56.9Low54.3Low120 Ų120117.6 Ų117.656%0.56158%0.581SS**Hα-helixtrans-69.3-48175.7-15698.332.700111.3K101 K102 R107 S108K101-Q105 WeakPolarHBondContact O-CB 3.42Å; K101-Q105 PolarHBondContact O-N 3.02Å; K102-Q105 PolarHBondContact O-N 2.75Å; K102-Q105 VanDerWaalsContact O-N 3.13Å; Q105-R107 PolarHBondContact O-N 3.27Å; Q105-S108 PolarHBondContact O-N 2.85Å; Q105-S108 PolarHBondContact O-OG 3.22Å
106D54.1Low53Low97 Ų97121 Ų12152%0.51960%0.596SS.*Hα-helixtrans-63-26.6176.7-64.8-11.1000110.9K102K102-D106 WeakPolarHBondContact O-CB 3.08Å; K102-D106 VanDerWaalsContact O-CG 3.26Å; K102-D106 PolarHBondContact O-N 3.17Å
107R49.5Very low51.4Low164 Ų164121.6 Ų121.662%0.61960%0.604SS**THydrogen-bonded Turntrans-89.1-9.5174.2-73.2-173.8177.2-146-1.1114.6Q103 L104 Q105 E109 I110Q103-R107 VanDerWaalsContact O-CB 3.26Å; Q103-R107 WeakPolarHBondContact O-CB 3.37Å; Q103-R107 WeakPolarHBondContact O-CG 3.45Å; Q103-R107 PolarHBondContact O-N 3.14Å; Q103-R107 VanDerWaalsContact O-N 3.17Å; L104-R107 PolarHBondContact O-N 3.04Å; Q105-R107 PolarHBondContact O-N 3.27Å; R107-E109 PolarHBondContact O-N 2.96Å; R107-I110 HydrophobicContact CG-CD1 4.3Å; R107-I110 CarbonylContact O-C 3.55Å; R107-I110 WeakPolarHBondContact O-CA 3.27Å; R107-I110 WeakPolarHBondContact O-CB 2.92Å; R107-I110 PolarHBondContact O-N 3.43Å
108S47.5Very low50Low82 Ų82117.4 Ų117.457%0.57359%0.593SS**THydrogen-bonded Turntrans-68.8-19.8176.470.50000112.4L104 Q105 I110L104-S108 PolarHBondContact O-N 3.23Å; Q105-S108 PolarHBondContact O-N 2.85Å; Q105-S108 PolarHBondContact O-OG 3.22Å; S108-I110 PolarHBondContact O-N 3.06Å
109E47.4Very low48.3Very low180 Ų180119 Ų11984%0.84160%0.6SS**THydrogen-bonded Turntrans-68.3-21.8168.1-69.1-175.5178.200112.4R107 G111R107-E109 PolarHBondContact O-N 2.96Å; E109-G111 VanDerWaalsContact C-N 3.29Å; E109-G111 PolarHBondContact O-N 2.92Å; E109-G111 VanDerWaalsContact O-N 3.1Å
110I43.3Very low46.8Very low119 Ų119121.2 Ų121.261%0.6161%0.608SS**SBendtrans-8978.9172.5-59.4153.3000106.8R107 S108 N112R107-I110 HydrophobicContact CG-CD1 4.3Å; R107-I110 CarbonylContact O-C 3.55Å; R107-I110 WeakPolarHBondContact O-CA 3.27Å; R107-I110 WeakPolarHBondContact O-CB 2.92Å; R107-I110 PolarHBondContact O-N 3.43Å; S108-I110 PolarHBondContact O-N 3.06Å; I110-N112 PolarHBondContact O-N 3.17Å
111G38.8Very low45.5Very low40 Ų40124.7 Ų124.741%0.41263%0.627SS.*  trans-45.7133.2-175.200000114.2E109 N113E109-G111 VanDerWaalsContact C-N 3.29Å; E109-G111 PolarHBondContact O-N 2.92Å; E109-G111 VanDerWaalsContact O-N 3.1Å; G111-N113 PolarHBondContact O-N 3.4Å
112N40.7Very low43.9Very low149 Ų149125.8 Ų125.880%0.79764%0.638SS**SBendtrans42.9-3.6153.4-63.6-13.1000122I110I110-N112 PolarHBondContact O-N 3.17Å
113N39.5Very low42Very low115 Ų115126.6 Ų126.662%0.61565%0.648SS**  trans-103.2-9.1-165-72.1-16.3000115.2G111G111-N113 PolarHBondContact O-N 3.4Å
114W41.6Very low40.5Very low168 Ų168126.8 Ų126.864%0.63666%0.659SS**THydrogen-bonded Turntrans-79.3-22.8-176.878.2-88000114T117W114-T117 PolarHBondContact O-OG1 2.93Å
115L38.4Very low39.3Very low112 Ų112133.4 Ų133.459%0.58668%0.676SS**THydrogen-bonded Turntrans-78.8-27.7178.7-13589.2000112.5T117 S118L115-T117 PolarHBondContact O-N 3.3Å; L115-S118 PolarHBondContact O-OG 2.96Å
116L39.3Very low38.1Very low144 Ų144136.5 Ų136.575%0.75469%0.691SS**THydrogen-bonded Turntrans-77.3-17.7-177.1-78.1160.4000113.7
117T35Very low37Very low117 Ų117138.6 Ų138.672%0.71871%0.707SS**THydrogen-bonded Turntrans-85.6-11.6-178.552.70000114.5W114 L115 K119W114-T117 PolarHBondContact O-OG1 2.93Å; L115-T117 PolarHBondContact O-N 3.3Å; T117-K119 PolarHBondContact O-N 3.31Å
118S34.4Very low36.4Very low61 Ų61138.4 Ų138.443%0.42772%0.717SS.*  trans-80.4103.5174.152.30000110L115 I120L115-S118 PolarHBondContact O-OG 2.96Å; S118-I120 PolarHBondContact O-N 2.98Å
119K33.6Very low35.9Very low200 Ų200138.5 Ų138.587%0.8772%0.717SS**  trans-5978.9160.5-75.4-178.2176.4179.90109.1T117 N121T117-K119 PolarHBondContact O-N 3.31Å; K119-N121 PolarHBondContact O-N 3.23Å
120I36.1Very low35.4Very low122 Ų122135.7 Ų135.763%0.62672%0.717SS**  trans-79.7103173.6-61172.4000106.1S118 L122S118-I120 PolarHBondContact O-N 2.98Å; I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.33Å
121N33.7Very low35.1Very low148 Ų148138.7 Ų138.779%0.79173%0.726SS**  trans-64.496169-72.1-26.7000108.4K119 I123K119-N121 PolarHBondContact O-N 3.23Å; N121-I123 PolarHBondContact O-N 2.91Å
122L30.1Very low34.9Very low155 Ų155146.1 Ų146.181%0.81275%0.747SS**  trans-68.1111.8172.1-72.8164.8000108.2I120 P124I120-L122 VanDerWaalsContact C-N 3.34Å; I120-L122 PolarHBondContact O-N 3.33Å; L122-P124 VanDerWaalsContact O-CD 3.26Å; L122-P124 WeakPolarHBondContact O-CD 3.43Å
123I30.4Very low34.7Very low154 Ų154144.4 Ų144.479%0.7974%0.744SS**  trans-79114.9173.2-59.5172.3000107.5N121 R125N121-I123 PolarHBondContact O-N 2.91Å; I123-R125 PolarHBondContact O-N 3Å
124P29.4Very low34.3Very low115 Ų115146.8 Ų146.875%0.74776%0.755SS**PPolyproline II helixtrans-65.1131.717724.4-30.9000110.5L122 Q126L122-P124 VanDerWaalsContact O-CD 3.26Å; L122-P124 WeakPolarHBondContact O-CD 3.43Å; P124-Q126 PolarHBondContact O-N 2.74Å
125R26.1Very low34Very low239 Ų239145.5 Ų145.590%0.90276%0.759SS**PPolyproline II helixtrans-70.4127.7174.5-72.5-175.7175.7-146.7-0.3109.5I123 V127I123-R125 PolarHBondContact O-N 3Å; R125-V127 PolarHBondContact O-N 2.9Å
126Q31.9Very low33.8Very low185 Ų185145.6 Ų145.686%0.86477%0.767SS**PPolyproline II helixtrans-61.8120.3169.8-79.9-179.2-19.300110.1P124 I128P124-Q126 PolarHBondContact O-N 2.74Å; Q126-I128 PolarHBondContact O-N 2.9Å
127V31.5Very low33.6Very low141 Ų141145.2 Ų145.286%0.85577%0.77SS**  trans-74.5109171.3-1750000107.2R125 S129R125-V127 PolarHBondContact O-N 2.9Å; V127-S129 PolarHBondContact O-N 2.92Å
128I36.4Very low33.5Very low161 Ų161145.1 Ų145.183%0.82677%0.772SS**  trans-70.4102.2177.4-58.8170.5000107.4Q126 S130Q126-I128 PolarHBondContact O-N 2.9Å; I128-S130 PolarHBondContact O-N 3.4Å
129S36.7Very low33.5Very low84 Ų84148.7 Ų148.759%0.58779%0.786SS**  trans-56.4127.1172.6140.80000110V127 K131V127-S129 PolarHBondContact O-N 2.92Å; S129-K131 VanDerWaalsContact C-N 3.29Å; S129-K131 PolarHBondContact O-N 3.33Å
130S36.7Very low33.9Very low120 Ų120146.1 Ų146.184%0.83978%0.779SS**  trans-69.372.6-179.858.30000112.5I128I128-S130 PolarHBondContact O-N 3.4Å
131K36.2Very low34Very low183 Ų183146.9 Ų146.980%0.79678%0.784SS**  trans-99103.8163.3-76-173.2177.8-178.80108.3S129S129-K131 VanDerWaalsContact C-N 3.29Å; S129-K131 PolarHBondContact O-N 3.33Å
132K36Very low33.9Very low195 Ų195147.6 Ų147.685%0.84879%0.785SS**  trans-58.4125.6172.5-83.2178.3176.4175.90108.8I134K132-I134 PolarHBondContact O-N 3.2Å
133P35.2Very low34.2Very low114 Ų114148.3 Ų148.374%0.7478%0.781SS**  trans-69.3124.8174.826.5-30.3000109.6I135P133-I135 PolarHBondContact O-N 3.38Å
134I31.7Very low34.2Very low165 Ų165149.6 Ų149.685%0.84678%0.784SS**  trans-77.9110.4170.9-61.4169.5000106.4K132K132-I134 PolarHBondContact O-N 3.2Å
135I35.3Very low34.4Very low141 Ų141150 Ų15072%0.72378%0.784SS**PPolyproline II helixtrans-89.3124.5173.3-59.4172.6000106.9P133 T137P133-I135 PolarHBondContact O-N 3.38Å; I135-T137 PolarHBondContact O-N 3.3Å
136P33.2Very low34.7Very low114 Ų114144.9 Ų144.974%0.7478%0.775SS**PPolyproline II helixtrans-65.4127.8178.224.3-30.6000110.6
137T35.1Very low34.8Very low136 Ų136140.7 Ų140.783%0.83477%0.772SS**PPolyproline II helixtrans-65.1130.5174.83.80000110I135I135-T137 PolarHBondContact O-N 3.3Å
138P34Very low34.8Very low114 Ų114140.8 Ų140.874%0.7477%0.768SS**PPolyproline II helixtrans-69.6134.5176.713.6-9.4000110.8M140P138-M140 PolarHBondContact O-N 2.89Å
139N34.6Very low34.6Very low137 Ų137142.8 Ų142.873%0.73377%0.77SS**PPolyproline II helixtrans-66122.6179.2-164.82.6000110.3D141N139-D141 VanDerWaalsContact C-N 3.32Å; N139-D141 PolarHBondContact O-N 3.02Å
140M40.6Very low34.3Very low145 Ų145145.4 Ų145.471%0.71478%0.778SS**  trans-84.43.5-170.2-84-67.1-4600114.4P138 M142P138-M140 PolarHBondContact O-N 2.89Å; M140-M142 VanDerWaalsContact C-N 3.3Å; M140-M142 PolarHBondContact O-N 2.98Å
141D38.8Very low33.8Very low138 Ų138146.7 Ų146.774%0.73878%0.775SS**THydrogen-bonded Turntrans-80.65.4-168.8-76.1-13.4000116N139N139-D141 VanDerWaalsContact C-N 3.32Å; N139-D141 PolarHBondContact O-N 3.02Å
142M32.6Very low33.5Very low164 Ų164147.9 Ų147.981%0.80878%0.776SS**THydrogen-bonded Turntrans-97.43.6-173.1-124.6177.965.100116M140M140-M142 VanDerWaalsContact C-N 3.3Å; M140-M142 PolarHBondContact O-N 2.98Å
143F36.8Very low33.2Very low169 Ų169145 Ų14574%0.74177%0.769SS**  trans-116.561.5-179.5-62.7-73.5000112.8V145F143-V145 PolarHBondContact O-N 3.18Å
144Q30.2Very low32.8Very low181 Ų181144.8 Ų144.885%0.84677%0.769SS**  trans-94.277.2160.5-154.6120.64000108.3
145V33.1Very low32.8Very low123 Ų123146.4 Ų146.475%0.74577%0.771SS**  trans-91.1115.1174.8-176.40000107.9F143 A147F143-V145 PolarHBondContact O-N 3.18Å; V145-A147 PolarHBondContact O-N 3.48Å
146N31.8Very low32.3Very low133 Ų133146 Ų14671%0.71178%0.775SS**  trans-55.7122.8-178.6-70.1-35.6000111.3D148N146-D148 PolarHBondContact O-N 3.43Å
147A33.4Very low32.2Very low96 Ų96145.3 Ų145.379%0.79378%0.778SS**  trans-77.882.4176.800000110.1V145 K149V145-A147 PolarHBondContact O-N 3.48Å; A147-K149 PolarHBondContact O-N 2.98Å
148D32.9Very low31.6Very low144 Ų144150.1 Ų150.177%0.7778%0.781SS**  trans-78.9120.4170.1-79.2-31000111.1N146 N150N146-D148 PolarHBondContact O-N 3.43Å; D148-N150 PolarHBondContact O-N 3.45Å; D148-N150 VanDerWaalsContact O-N 3.14Å
149K30.7Very low31.4Very low202 Ų202150.8 Ų150.888%0.87879%0.788SS**  trans-63.397.6-176.1-67.8167.6175.9172.20111.9A147A147-K149 PolarHBondContact O-N 2.98Å
150N31.8Very low31Very low140 Ų140150.6 Ų150.675%0.74979%0.792SS**  trans-107.296.6164.7-76.3-24.8000110.8D148 Y152D148-N150 PolarHBondContact O-N 3.45Å; D148-N150 VanDerWaalsContact O-N 3.14Å; N150-Y152 HydrophobicContact CB-CD2 4.46Å; N150-Y152 HydrophobicContact CB-CE2 4.34Å; N150-Y152 PolarHBondContact O-N 3.38Å
151N25.8Very low30.4Very low146 Ų146149.5 Ų149.578%0.78180%0.799SS**  trans-79.992.1-179-154.511.6000109.4
152Y30Very low29.8Very low209 Ų209148 Ų14882%0.8280%0.799SS**  trans-94.2104.1171.6-82.9-83.3000110.1N150 S154N150-Y152 HydrophobicContact CB-CD2 4.46Å; N150-Y152 HydrophobicContact CB-CE2 4.34Å; N150-Y152 PolarHBondContact O-N 3.38Å; Y152-S154 PolarHBondContact O-N 2.83Å
153I29Very low29.6Very low135 Ų135149.7 Ų149.769%0.69280%0.802SS**  trans-74119.1176.8-63.9168.6000109.4K155I153-K155 PolarHBondContact O-N 2.93Å
154S28Very low29.2Very low108 Ų108148.9 Ų148.976%0.75581%0.805SS**  trans-64.3115.7171.1-49.50000111.2Y152Y152-S154 PolarHBondContact O-N 2.83Å
155K30.9Very low29.2Very low200 Ų200145.5 Ų145.587%0.8780%0.797SS**  trans-102.194.3165.7-79-175.5177.91780109.8I153 A157I153-K155 PolarHBondContact O-N 2.93Å; K155-A157 PolarHBondContact O-N 2.8Å
156T25.9Very low29.1Very low133 Ų133148.7 Ų148.782%0.81680%0.801SS**  trans-75.6110.5165.9-52.90000108.5
157A30.1Very low29.1Very low98 Ų98149.3 Ų149.381%0.8180%0.804SS**  trans-121.1107.1166.200000109.1K155K155-A157 PolarHBondContact O-N 2.8Å
158R23.3Very low28.9Very low238 Ų238154.3 Ų154.390%0.89881%0.808SS**  trans-63131.3165.9-82.4174.1169171.1-4108.9
159S28.6Very low28.7Very low127 Ų127158.6 Ų158.689%0.88881%0.813SS**  trans-143.4112.3152.4-143.90000109.8
160T26Very low28.8Very low133 Ų133154.7 Ų154.782%0.81681%0.809SS**  trans-84.4131.2172.345.50000109.1
161S29.4Very low28.8Very low122 Ų122156.8 Ų156.885%0.85381%0.813SS**  trans-165.3135.2131.584.70000111.1
162S24.9Very low29.1Very low106 Ų106155.6 Ų155.674%0.74182%0.817SS**  trans-79.3136.6175.151.40000111.6
163K29.9Very low29Very low200 Ų200151.9 Ų151.987%0.8782%0.816SS**  trans-146.993.7151-121.2173.7-177.5175.90108.9T165K163-T165 PolarHBondContact O-N 3.36Å
164L28.5Very low29Very low152 Ų152149.7 Ų149.780%0.79682%0.817SS**  trans-71.5107.3166.3-105.992.4000107.7F166L164-F166 HydrophobicContact CD2-CE2 4.33Å
165T28.2Very low29Very low110 Ų110149 Ų14968%0.67581%0.813SS**  trans-99.8111.2164.230.70000109.1K163 N167K163-T165 PolarHBondContact O-N 3.36Å; T165-N167 VanDerWaalsContact C-N 3.32Å; T165-N167 PolarHBondContact O-N 2.96Å
166F31.4Very low28.9Very low190 Ų190145.6 Ų145.683%0.83381%0.809SS**  trans-66.585.5169.7-92.9-95.1000109.7L164 K168L164-F166 HydrophobicContact CD2-CE2 4.33Å; F166-K168 PolarHBondContact O-N 2.95Å
167N32.1Very low29.1Very low147 Ų147147.5 Ų147.579%0.78681%0.808SS**  trans-81.3109.6168.1-77.4-16000109T165 R169T165-N167 VanDerWaalsContact C-N 3.32Å; T165-N167 PolarHBondContact O-N 2.96Å; N167-R169 PolarHBondContact O-N 2.8Å
168K30.3Very low29Very low200 Ų200148 Ų14887%0.8781%0.805SS**PPolyproline II helixtrans-53.7133171.9-76.2178.9175178.70110F166F166-K168 PolarHBondContact O-N 2.95Å
169R28.4Very low29.1Very low234 Ų234147.9 Ų147.988%0.88381%0.805SS**PPolyproline II helixtrans-58.9126.1174-109.6177.1177.2145.7-1.8109.9N167N167-R169 PolarHBondContact O-N 2.8Å
170P33.3Very low29.1Very low120 Ų120149.3 Ų149.378%0.77980%0.802SS**PPolyproline II helixtrans-67.9138.216825.9-30000110.1S172P170-S172 PolarHBondContact O-N 3.22Å
171H32Very low29.2Very low184 Ų184146.9 Ų146.985%0.85279%0.791SS**PPolyproline II helixtrans-64.3127.8176.2-66.4-83000110.1V173H171-V173 PolarHBondContact O-N 3.43Å
172S30.4Very low29.1Very low121 Ų121148.9 Ų148.985%0.84679%0.792SS**  trans-66.2110.1174.9169.80000109.8P170P170-S172 PolarHBondContact O-N 3.22Å
173V29.3Very low29.3Very low132 Ų132151.4 Ų151.480%0.879%0.791SS**  trans-77.7132.8168.3-177.50000108.3H171 S175H171-V173 PolarHBondContact O-N 3.43Å; V173-S175 PolarHBondContact O-N 2.89Å
174A28.2Very low29.4Very low88 Ų88147.5 Ų147.573%0.72779%0.787SS**  trans-62.6106.7176.100000110T176A174-T176 PolarHBondContact O-N 3.19Å
175S29.1Very low29.3Very low94 Ų94147.3 Ų147.366%0.65779%0.786SS**  trans-78.4101.9171.2-174.40000108.8V173 H177V173-S175 PolarHBondContact O-N 2.89Å; S175-H177 PolarHBondContact O-N 3.49Å; S175-H177 VanDerWaalsContact O-N 3.17Å
176T28.3Very low29.4Very low129 Ų129146.7 Ų146.779%0.79178%0.784SS**  trans-66.9103165.441.40000108.9A174 S178A174-T176 PolarHBondContact O-N 3.19Å; T176-S178 PolarHBondContact O-N 2.85Å
177H29.1Very low29.3Very low172 Ų172146.2 Ų146.280%0.79678%0.784SS**  trans-72105.7161-77.6-76.4000108.2S175 R179S175-H177 PolarHBondContact O-N 3.49Å; S175-H177 VanDerWaalsContact O-N 3.17Å; H177-R179 PolarHBondContact O-N 3.24Å; H177-R179 VanDerWaalsContact O-N 3.17Å
178S29.4Very low29.3Very low108 Ų108146.8 Ų146.876%0.75578%0.782SS**  trans-58.9112.6163.336.70000108.5T176 L180T176-S178 PolarHBondContact O-N 2.85Å; S178-L180 PolarHBondContact O-N 2.92Å; S178-L180 VanDerWaalsContact O-N 3.17Å
179R25.4Very low29.1Very low236 Ų236144.1 Ų144.189%0.89178%0.777SS**  trans-62.5114.1170.4-172.1175.7-176.8172.5-0.1107H177 S181H177-R179 PolarHBondContact O-N 3.24Å; H177-R179 VanDerWaalsContact O-N 3.17Å; R179-S181 PolarHBondContact O-N 3.25Å
180L27.6Very low29.3Very low157 Ų157138.9 Ų138.982%0.82277%0.772SS**  trans-54.6112.3168.4-113.882.5000107.1S178 N182S178-L180 PolarHBondContact O-N 2.92Å; S178-L180 VanDerWaalsContact O-N 3.17Å; L180-N182 PolarHBondContact O-N 3.42Å
181S28.9Very low29.1Very low83 Ų83140 Ų14058%0.5877%0.771SS**  trans-65125.7172.648.10000108.2R179 H183R179-S181 PolarHBondContact O-N 3.25Å; S181-H183 PolarHBondContact O-N 3.11Å
182N27.8Very low28.9Very low163 Ų163138.9 Ų138.987%0.87277%0.77SS**  trans-6583.5168.4-67.3-24.1000108.2L180L180-N182 PolarHBondContact O-N 3.42Å
183H28.5Very low28.8Very low159 Ų159138.1 Ų138.174%0.73677%0.765SS**  trans-73.5125.8161.5-83.9-61.3000107.7S181 N185S181-H183 PolarHBondContact O-N 3.11Å; H183-N185 PolarHBondContact O-N 3.46Å; H183-N185 VanDerWaalsContact O-N 3.1Å
184P31Very low28.7Very low119 Ų119138.4 Ų138.477%0.77377%0.767SS**  trans-65.4112.1174.825.9-29.6000107.5
185N26.3Very low28.6Very low147 Ų147138.6 Ų138.679%0.78677%0.768SS**  trans-68.6126.3179.6-15012.3000108.2H183 E187H183-N185 PolarHBondContact O-N 3.46Å; H183-N185 VanDerWaalsContact O-N 3.1Å; N185-E187 PolarHBondContact O-N 3.3Å
186P31.3Very low28.5Very low97 Ų97138.6 Ų138.663%0.6377%0.768SS**  trans-65.6132.9179.624.9-32.3000111H188P186-H188 PolarHBondContact O-N 3.03Å
187E29.2Very low28.6Very low180 Ų180137.4 Ų137.484%0.84177%0.765SS**  trans4.486150.8-62174.1-17900114.9N185N185-E187 PolarHBondContact O-N 3.3Å
188H30.8Very low28.5Very low159 Ų159137.7 Ų137.774%0.73677%0.766SS**  trans-103.899.1153.7-83.7-56.9000107.7P186 T190P186-H188 PolarHBondContact O-N 3.03Å; H188-T190 PolarHBondContact O-N 3Å; H188-T190 PolarHBondContact O-OG1 3.13Å
189D27.7Very low28.5Very low144 Ų144143.3 Ų143.377%0.7777%0.771SS**  trans-51.981.8165-70.4-39.2000110.1N191D189-N191 VanDerWaalsContact C-N 3.28Å; D189-N191 PolarHBondContact O-N 3.37Å; D189-N191 VanDerWaalsContact O-N 3.09Å
190T31.5Very low28.9Very low124 Ų124136.7 Ų136.776%0.76176%0.761SS**  trans-81.490.7165.513.30000105.8H188 I192H188-T190 PolarHBondContact O-N 3Å; H188-T190 PolarHBondContact O-OG1 3.13Å; T190-I192 PolarHBondContact O-N 3.18Å
191N30.4Very low29.1Very low145 Ų145134.8 Ų134.878%0.77576%0.761SS**  trans-43.499.6167.7-68.1-60.2000109.6D189 S193D189-N191 VanDerWaalsContact C-N 3.28Å; D189-N191 PolarHBondContact O-N 3.37Å; D189-N191 VanDerWaalsContact O-N 3.09Å; N191-S193 VanDerWaalsContact C-N 3.26Å; N191-S193 PolarHBondContact O-N 3.31Å
192I27.4Very low29.3Very low159 Ų159139.4 Ų139.482%0.81577%0.77SS**  trans-72.992.5169-57170.7000105.1T190 T194T190-I192 PolarHBondContact O-N 3.18Å; I192-T194 PolarHBondContact O-N 3.01Å
193S28.2Very low29.2Very low106 Ų106142.3 Ų142.374%0.74177%0.769SS**  trans-59.4110.3167.5-790000108.6N191 A195N191-S193 VanDerWaalsContact C-N 3.26Å; N191-S193 PolarHBondContact O-N 3.31Å; S193-A195 PolarHBondContact O-N 3.39Å
194T26.4Very low29.2Very low137 Ų137143.8 Ų143.884%0.8477%0.774SS**  trans-64.776.2172.8-36.50000109.6I192 S196I192-T194 PolarHBondContact O-N 3.01Å; T194-S196 PolarHBondContact O-N 2.99Å; T194-S196 VanDerWaalsContact O-N 3.09Å
195A27.6Very low29.2Very low92 Ų92146.9 Ų146.976%0.7678%0.778SS**  trans-74.499.9168.100000107.9S193 S197S193-A195 PolarHBondContact O-N 3.39Å; A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 3.01Å
196S27Very low29.4Very low95 Ų95150.6 Ų150.666%0.66478%0.782SS**  trans-60.986.717363.80000110.3T194 H198T194-S196 PolarHBondContact O-N 2.99Å; T194-S196 VanDerWaalsContact O-N 3.09Å; S196-H198 PolarHBondContact O-N 3.21Å
197S30.4Very low29.5Very low103 Ų103154 Ų15472%0.7279%0.794SS**  trans-82.593.2164.5-162.50000107.7A195 R199A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 3.01Å; S197-R199 PolarHBondContact O-N 3.05Å
198H26.4Very low29.6Very low178 Ų178150.4 Ų150.482%0.82479%0.789SS**  trans-59.378.2163.3-73.6-75.1000109.4S196S196-H198 PolarHBondContact O-N 3.21Å
199R29.6Very low29.7Very low227 Ų227152.1 Ų152.186%0.85780%0.798SS**  trans-95.5107.3160.5-102-174.7176.4-164.20.6107.9S197 S201S197-R199 PolarHBondContact O-N 3.05Å; R199-S201 PolarHBondContact O-N 2.93Å
200S33.2Very low29.9Very low96 Ų96153.4 Ų153.467%0.67180%0.799SS**  trans-36.3125.7176.846.50000112.4K202S200-K202 PolarHBondContact O-N 2.98Å
201S31.5Very low29.9Very low117 Ų117152.5 Ų152.582%0.81880%0.798SS**  trans-59.684.3163.9-176.50000108.6R199 R203R199-S201 PolarHBondContact O-N 2.93Å; S201-R203 PolarHBondContact O-N 3.12Å
202K33.2Very low30Very low181 Ų181152.2 Ų152.279%0.78780%0.795SS**  trans-75.779160.3-79.6-174.5178.2-178.70106.4S200 F204S200-K202 PolarHBondContact O-N 2.98Å; K202-F204 PolarHBondContact O-N 2.89Å
203R25.2Very low30.3Very low223 Ų223153.3 Ų153.384%0.84280%0.796SS**  trans-49.8111.6162-168.7176.8-163.5159.53106.2S201 Q205S201-R203 PolarHBondContact O-N 3.12Å; R203-Q205 PolarHBondContact O-N 2.89Å
204F30.2Very low30.5Very low191 Ų191159.2 Ų159.284%0.83880%0.802SS**  trans-52.6117.5172.2-85.5-92.7000107.4K202 Y206K202-F204 PolarHBondContact O-N 2.89Å; F204-Y206 PolarHBondContact O-N 2.95Å; F204-Y206 VanDerWaalsContact O-N 3.1Å
205Q30.5Very low30.8Very low183 Ų183157 Ų15786%0.85580%0.798SS**  trans-62.8113168.6-80.7176.2-22.200106.2R203 L207R203-Q205 PolarHBondContact O-N 2.89Å; Q205-L207 PolarHBondContact O-N 3.29Å
206Y30.3Very low31Very low225 Ų225161.9 Ų161.988%0.88280%0.802SS**  trans-58112.3161-77-92.9000106F204 S208F204-Y206 PolarHBondContact O-N 2.95Å; F204-Y206 VanDerWaalsContact O-N 3.1Å; Y206-S208 PolarHBondContact O-N 3.32Å; Y206-S208 VanDerWaalsContact O-N 3.1Å
207L32.6Very low31.4Very low168 Ų168163.1 Ų163.188%0.8881%0.808SS**  trans-59.2115.2165.3-71.8166.8000105.8Q205 E209Q205-L207 PolarHBondContact O-N 3.29Å; L207-E209 PolarHBondContact O-N 3.01Å
208S32.8Very low31.8Very low106 Ų106163.8 Ų163.874%0.74181%0.813SS**  trans-49.2135.4173.546.90000109.5Y206 E210Y206-S208 PolarHBondContact O-N 3.32Å; Y206-S208 VanDerWaalsContact O-N 3.1Å; S208-E210 PolarHBondContact O-N 3.37Å
209E32.3Very low32Very low194 Ų194166.4 Ų166.491%0.90782%0.815SS**  trans-55.3101.7170.7-66.6-175.7164.600108.5L207 S211L207-E209 PolarHBondContact O-N 3.01Å; E209-S211 PolarHBondContact O-N 2.94Å
210E31.2Very low32.4Very low171 Ų171160.7 Ų160.780%0.79981%0.808SS**  trans-67.4102.5168.2-167171-165.600105.8S208 I212S208-E210 PolarHBondContact O-N 3.37Å; E210-I212 PolarHBondContact O-N 3.48Å
211S32.5Very low32.5Very low105 Ų105162 Ų16273%0.73482%0.816SS**  trans-62.488.6171.853.40000107.6E209 E213E209-S211 PolarHBondContact O-N 2.94Å; S211-E213 PolarHBondContact O-N 2.8Å
212I32.8Very low32.8Very low140 Ų140161.6 Ų161.672%0.71881%0.814SS**  trans-66.396.4168-58.9173.1000105.2E210 R214E210-I212 PolarHBondContact O-N 3.48Å; I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 2.98Å
213E32.8Very low32.7Very low181 Ų181156.6 Ų156.685%0.84681%0.806SS**  trans-52.697.6162.5-78.1-172.2151.400106.9S211 A215S211-E213 PolarHBondContact O-N 2.8Å; E213-A215 VanDerWaalsContact C-N 3.29Å; E213-A215 PolarHBondContact O-N 2.99Å
214R31.8Very low33Very low230 Ų230151.4 Ų151.487%0.86880%0.802SS**  trans-63.7100.6165.9-86.9-175.2-174.8148.73.3106.3I212 K216I212-R214 VanDerWaalsContact C-N 3.26Å; I212-R214 PolarHBondContact O-N 2.98Å; R214-K216 PolarHBondContact O-N 3.26Å
215A33.8Very low33Very low91 Ų91148.1 Ų148.175%0.75280%0.801SS**  trans-46.1115164.100000107.7E213 P217E213-A215 VanDerWaalsContact C-N 3.29Å; E213-A215 PolarHBondContact O-N 2.99Å; A215-P217 WeakPolarHBondContact O-CD 3.2Å
216K32Very low33.1Very low195 Ų195145.7 Ų145.785%0.84879%0.792SS**  trans-56.3125.9173.2-77.3179.1179.2173.20106.7R214 S218R214-K216 PolarHBondContact O-N 3.26Å; K216-S218 PolarHBondContact O-N 2.93Å; K216-S218 VanDerWaalsContact O-N 3.1Å
217P35.5Very low33.1Very low121 Ų121142.8 Ų142.879%0.78679%0.791SS**  trans-57.2122.8174.919.5-27.5000108.1A215 R219A215-P217 WeakPolarHBondContact O-CD 3.2Å; P217-R219 VanDerWaalsContact C-N 3.34Å; P217-R219 PolarHBondContact O-N 3.5Å
218S37.8Very low33.2Very low116 Ų116142.3 Ų142.381%0.81178%0.784SS**  trans-61.296175.4440000108.2K216 P220K216-S218 PolarHBondContact O-N 2.93Å; K216-S218 VanDerWaalsContact O-N 3.1Å; S218-P220 WeakPolarHBondContact O-CD 3.13Å
219R31.2Very low33.1Very low234 Ų234145.1 Ų145.188%0.88379%0.786SS**  trans-76118.4171.9-158.4176.2-168.7-179.51.6106.5P217 S221P217-R219 VanDerWaalsContact C-N 3.34Å; P217-R219 PolarHBondContact O-N 3.5Å; R219-S221 PolarHBondContact O-N 3.41Å
220P36.6Very low33.1Very low107 Ų107146.4 Ų146.470%0.69578%0.784SS**  trans-57.9128.5174.121.6-29.9000108.4S218 S222S218-P220 WeakPolarHBondContact O-CD 3.13Å; P220-S222 PolarHBondContact O-N 3.5Å
221S35.1Very low33.1Very low122 Ų122146.2 Ų146.285%0.85379%0.788SS**  trans-67.282.5173.962.90000108.5R219 A223R219-S221 PolarHBondContact O-N 3.41Å; S221-A223 PolarHBondContact O-N 2.96Å
222S38.6Very low33Very low109 Ų109152.4 Ų152.476%0.76280%0.796SS**  trans-73.9107.3159.528.50000105.6P220P220-S222 PolarHBondContact O-N 3.5Å
223A30.8Very low32.8Very low76 Ų76150 Ų15063%0.62880%0.797SS**  trans-50.8148.417000000109.5S221 C225S221-A223 PolarHBondContact O-N 2.96Å; A223-C225 PolarHBondContact O-N 3.04Å
224P31.8Very low32.7Very low115 Ų115145.7 Ų145.775%0.74779%0.792SS**  trans-56.9117.9175.825-32.1000108I226P224-I226 VanDerWaalsContact C-N 3.33Å; P224-I226 PolarHBondContact O-N 2.85Å
225C30.1Very low32.9Very low121 Ų121139.8 Ų139.882%0.81878%0.783SS**  trans-60.6103.7166.9-69.40000106.5A223 L227A223-C225 PolarHBondContact O-N 3.04Å; C225-L227 PolarHBondContact O-N 2.93Å
226I32.9Very low32.7Very low133 Ų133141.8 Ų141.868%0.68279%0.786SS**  trans-64.6115.9168.7-57.1175.1000104.5P224 E228P224-I226 VanDerWaalsContact C-N 3.33Å; P224-I226 PolarHBondContact O-N 2.85Å; I226-E228 HydrophobicContact CG2-CG 3.85Å; I226-E228 PolarHBondContact O-N 3.16Å
227L30.1Very low32.6Very low164 Ų164139.5 Ų139.586%0.85978%0.782SS**  trans-67.884.8169.2-111.689.8000106.5C225C225-L227 PolarHBondContact O-N 2.93Å
228E34.4Very low32.4Very low158 Ų158138 Ų13874%0.73877%0.774SS**  trans-83.6128.8162.6-72-177.7172.200107.9I226I226-E228 HydrophobicContact CG2-CG 3.85Å; I226-E228 PolarHBondContact O-N 3.16Å
229E31Very low32.1Very low165 Ų165141.2 Ų141.277%0.77178%0.776SS**  trans8365.9147.2-143.3170.4-160.800117.9
230Y31.4Very low32.1Very low221 Ų221138 Ų13887%0.86778%0.776SS**  trans-118.245.7150.4-85.6-78.7000111.3R232Y230-R232 VanDerWaalsContact C-N 3.27Å
231D31.9Very low31.7Very low167 Ų167141 Ų14189%0.89378%0.781SS**  trans-90.718.9169-79.2-24.9000112.9
232R30.4Very low31.5Very low234 Ų234137.9 Ų137.988%0.88377%0.767SS**  trans-124.866.1-178.6-157.1-178.7-90.5-173.1-4112.7Y230Y230-R232 VanDerWaalsContact C-N 3.27Å
233A29.1Very low31Very low90 Ų90140 Ų14074%0.74477%0.77SS**  trans-15568.4152.900000108.9P235A233-P235 WeakPolarHBondContact O-CD 3.13Å
234A30.2Very low31.1Very low91 Ų91143 Ų14375%0.75278%0.781SS**  trans-57.6123164.200000107.9V236A234-V236 PolarHBondContact O-N 2.84Å; A234-V236 VanDerWaalsContact O-N 3.16Å
235P35.4Very low31.1Very low105 Ų105141.2 Ų141.268%0.68278%0.775SS**  trans-67.2116.9175.226.2-30.3000108A233 I237A233-P235 WeakPolarHBondContact O-CD 3.13Å; P235-I237 HydrophobicContact CB-CG1 4.11Å; P235-I237 HydrophobicContact CG-CD1 4.49Å; P235-I237 HydrophobicContact CG-CG1 4.31Å; P235-I237 WeakPolarHBondContact O-CG1 3.41Å; P235-I237 PolarHBondContact O-N 3.43Å
236V30.7Very low31.2Very low133 Ų133142.8 Ų142.881%0.80678%0.776SS**  trans-66.986.7164.2179.90000106.2A234A234-V236 PolarHBondContact O-N 2.84Å; A234-V236 VanDerWaalsContact O-N 3.16Å
237I29.9Very low31.1Very low148 Ų148142.6 Ų142.676%0.75978%0.781SS**  trans-93.797164.1-10.7175.5000104.3P235 E239P235-I237 HydrophobicContact CB-CG1 4.11Å; P235-I237 HydrophobicContact CG-CD1 4.49Å; P235-I237 HydrophobicContact CG-CG1 4.31Å; P235-I237 WeakPolarHBondContact O-CG1 3.41Å; P235-I237 PolarHBondContact O-N 3.43Å; I237-E239 PolarHBondContact O-N 3.42Å
238S31.8Very low31Very low90 Ų90143.3 Ų143.363%0.62978%0.78SS**  trans-53.9128.8174.1-53.50000109.4L240S238-L240 PolarHBondContact O-N 2.93Å
239E31.4Very low30.8Very low182 Ų182140.4 Ų140.485%0.8578%0.777SS**  trans-49.2106.6165.7-60.6172.4-177.700108.5I237I237-E239 PolarHBondContact O-N 3.42Å
240L31.3Very low30.7Very low166 Ų166138.3 Ų138.387%0.86978%0.775SS**  trans-118.270.1162.4-128.9121.2000106.3S238 G242S238-L240 PolarHBondContact O-N 2.93Å; L240-G242 PolarHBondContact O-N 3.44Å
241E27.3Very low30.6Very low171 Ų171132.9 Ų132.980%0.79977%0.765SS**  trans-65.988.3163.4-169.2163.3-162.200106.8
242G30.2Very low30.3Very low56 Ų56130 Ų13058%0.57776%0.758SS**  trans-108.396.3171.700000108.5L240 V244L240-G242 PolarHBondContact O-N 3.44Å; G242-V244 PolarHBondContact O-N 2.97Å; G242-V244 VanDerWaalsContact O-N 3.08Å
243D29Very low30.2Very low153 Ų153124.8 Ų124.882%0.81875%0.752SS**  trans-54.9106.5168.1-72.4-40000110
244V33.7Very low29.9Very low140 Ų140124.8 Ų124.885%0.84875%0.746SS**  trans-124.495.7164.8-174.50000108.5G242G242-V244 PolarHBondContact O-N 2.97Å; G242-V244 VanDerWaalsContact O-N 3.08Å
245A31.6Very low29.7Very low77 Ų77126 Ų12664%0.63674%0.744SS**  trans-10.2128.6164.400000117.5T247A245-T247 PolarHBondContact O-N 3.34Å; A245-T247 VanDerWaalsContact O-N 3.12Å
246D30.2Very low29.4Very low154 Ų154127.3 Ų127.382%0.82475%0.745SS**  trans-44.7110.2158.4-59.2-54.1000111.1
247T31.6Very low29.2Very low129 Ų129127.3 Ų127.379%0.79174%0.741SS**  trans-118.189160.244.60000108A245 S249A245-T247 PolarHBondContact O-N 3.34Å; A245-T247 VanDerWaalsContact O-N 3.12Å; T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 3.41Å
248E27.9Very low29.1Very low179 Ų179125.1 Ų125.184%0.83673%0.734SS**  trans-61.189.8166.5-59.7-179.8175.600109
249S31.3Very low28.8Very low97 Ų97128.3 Ų128.368%0.67874%0.744SS**  trans-97.187169.4-176.50000108.8T247 V251T247-S249 VanDerWaalsContact C-N 3.3Å; T247-S249 PolarHBondContact O-N 3.41Å; S249-V251 VanDerWaalsContact C-N 3.3Å; S249-V251 PolarHBondContact O-N 2.91Å; S249-V251 WeakPolarHBondContact OG-CG2 3.5Å
250V28.9Very low28.7Very low121 Ų121127.6 Ų127.673%0.73374%0.741SS**  trans-71.286.2169.8-178.80000107.9S252V250-S252 PolarHBondContact O-N 3.14Å
251V29.2Very low28.4Very low107 Ų107129.3 Ų129.365%0.64875%0.745SS**  trans-89.892.1167.5-175.20000108.1S249 V253S249-V251 VanDerWaalsContact C-N 3.3Å; S249-V251 PolarHBondContact O-N 2.91Å; S249-V251 WeakPolarHBondContact OG-CG2 3.5Å; V251-V253 HydrophobicContact CG1-CG2 3.81Å; V251-V253 PolarHBondContact O-N 3.03Å; V251-V253 VanDerWaalsContact O-N 3.11Å
252S24.3Very low28.5Very low108 Ų108126.4 Ų126.476%0.75574%0.743SS**  trans-67.298.7168.1-37.70000108.9V250V250-S252 PolarHBondContact O-N 3.14Å
253V28.3Very low28.5Very low124 Ų124128.6 Ų128.675%0.75275%0.75SS**  trans-90.3109.6170.4-176.60000108.9V251V251-V253 HydrophobicContact CG1-CG2 3.81Å; V251-V253 PolarHBondContact O-N 3.03Å; V251-V253 VanDerWaalsContact O-N 3.11Å
254S24.2Very low28.4Very low89 Ų89128.4 Ų128.462%0.62275%0.749SS**  trans-46.2127.3172.2177.60000112.8N256S254-N256 PolarHBondContact O-N 3.44Å; S254-N256 VanDerWaalsContact O-N 3.09Å; S254-N256 PolarHBondContact OG-OD1 3.43Å
255V26.3Very low28Very low117 Ų117131.1 Ų131.171%0.70975%0.75SS**  trans-71.593.7167.2178.50000108N257V255-N257 WeakPolarHBondContact CG1-OD1 3.49Å; V255-N257 PolarHBondContact O-N 2.81Å
256N28.7Very low27.7Very low133 Ų133133.6 Ų133.671%0.71176%0.757SS**  trans-83.993.2165-73.23.6000108S254 T258S254-N256 PolarHBondContact O-N 3.44Å; S254-N256 VanDerWaalsContact O-N 3.09Å; S254-N256 PolarHBondContact OG-OD1 3.43Å; N256-T258 PolarHBondContact O-N 3.23Å
257N25.8Very low27.8Very low132 Ų132130.5 Ų130.571%0.70675%0.747SS**  trans-64109.1158.5-67-30.3000107V255V255-N257 WeakPolarHBondContact CG1-OD1 3.49Å; V255-N257 PolarHBondContact O-N 2.81Å
258T27.6Very low27.5Very low102 Ų102132 Ų13263%0.62675%0.75SS**  trans-128.489.9163.7-56.10000106.7N256 Q260N256-T258 PolarHBondContact O-N 3.23Å; T258-Q260 VanDerWaalsContact C-N 3.33Å; T258-Q260 HydrophobicContact CG2-CG 4.18Å; T258-Q260 PolarHBondContact O-N 2.78Å
259D26.5Very low27.7Very low157 Ų157132.5 Ų132.584%0.8475%0.753SS**  trans-58.997.2160.8-59.3-50.7000107.5
260Q28.9Very low27.5Very low167 Ų167137.3 Ų137.378%0.7876%0.761SS**  trans-120.685163-95.7-176-17.500108.1T258 S262T258-Q260 VanDerWaalsContact C-N 3.33Å; T258-Q260 HydrophobicContact CG2-CG 4.18Å; T258-Q260 PolarHBondContact O-N 2.78Å; Q260-S262 PolarHBondContact O-N 3.04Å
261E24Very low27.4Very low202 Ų202136.7 Ų136.794%0.94476%0.763SS**  trans-60.7106.4150.6-69.3-178.6151.800107.7
262S30.9Very low27.5Very low110 Ų110136.7 Ų136.777%0.76977%0.767SS**  trans-119.9114.1161.465.50000109.2Q260Q260-S262 PolarHBondContact O-N 3.04Å
263S28.8Very low27.6Very low102 Ų102138.5 Ų138.571%0.71377%0.769SS**  trans-55.9141.8178.351.20000114.9
264D27.8Very low27.7Very low149 Ų149140.5 Ų140.580%0.79777%0.77SS**  trans34.390136.8-61.3-23.8000117.7
265F25.1Very low27.7Very low198 Ų198142.8 Ų142.887%0.86878%0.78SS**  trans-98.788156.8-127.9-92.8000109.1
266T26.3Very low28Very low128 Ų128142.5 Ų142.579%0.78578%0.778SS**  trans-84.1108.2160.628.80000107.4
267S31.2Very low28Very low89 Ų89147.1 Ų147.162%0.62279%0.786SS**  trans-119.293.3166.162.30000109Q269S267-Q269 PolarHBondContact O-N 3.45Å
268D25.6Very low28.1Very low161 Ų161152 Ų15286%0.86179%0.794SS**  trans-61.7104.8159.6-71.8-42.3000108.8
269Q32.8Very low28.4Very low189 Ų189155.5 Ų155.588%0.88380%0.804SS**  trans-112.7104.6160.8-87.6-171.4-4.600110.8S267S267-Q269 PolarHBondContact O-N 3.45Å
270K26.7Very low28.5Very low198 Ų198155.4 Ų155.486%0.86180%0.803SS**  trans-47.7139.4166.4-92.5168.9168.7171.20113.4
271S25.7Very low28.8Very low109 Ų109155.3 Ų155.376%0.76280%0.803SS**  50.7114125.7-174.40000118.2
272S31.1Very low29.1Very low107 Ų107155.8 Ų155.875%0.74880%0.802SS**  trans-144.8100.8141.8-177.20000109Q274S272-Q274 PolarHBondContact O-N 3.38Å
273D26.6Very low29.2Very low146 Ų146158.1 Ų158.178%0.78180%0.804SS**  trans-59.1116.8158.8-92.2-38.4000108.4
274Q30.9Very low29.4Very low166 Ų166159 Ų15978%0.77680%0.801SS**  trans-130.989.1161.8-135.8-178.219.900110.1S272 V276S272-Q274 PolarHBondContact O-N 3.38Å; Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 HydrophobicContact CG-CG2 4.05Å; Q274-V276 PolarHBondContact O-N 3.39Å
275T23.8Very low29.8Very low137 Ų137161 Ų16184%0.8481%0.806SS**  trans-69.384.2169.6-36.20000109
276V33.2Very low30.3Very low110 Ų110157.4 Ų157.467%0.66780%0.796SS**  trans-106.6103.6172.4-177.10000110Q274Q274-V276 VanDerWaalsContact C-N 3.34Å; Q274-V276 HydrophobicContact CG-CG2 4.05Å; Q274-V276 PolarHBondContact O-N 3.39Å
277R28.8Very low30.9Very low231 Ų231155 Ų15587%0.87279%0.788SS**  trans24.1122.3145.8-67.8-176.8169.4172.8-2.9119.1E279R277-E279 PolarHBondContact O-N 3.26Å
278R27.7Very low31Very low233 Ų233160 Ų16088%0.87980%0.799SS**  trans-44.5121.4160.1-62.1171.2-176.3134.81.4111.7
279E34.5Very low31.6Very low177 Ų177159.2 Ų159.283%0.82779%0.793SS**  trans-120.3114.9151-69.7-169.9167.900107.4R277 E281R277-E279 PolarHBondContact O-N 3.26Å; E279-E281 VanDerWaalsContact C-N 3.29Å; E279-E281 PolarHBondContact O-N 3.33Å
280D29.2Very low31.8Very low155 Ų155153.6 Ų153.683%0.82978%0.775SS**  trans-75.675.2179.1-67-48.5000109.5
281E34.6Very low32.7Very low165 Ų165149.9 Ų149.977%0.77177%0.771SS**  trans-94.3103.1167.1-79.7-163.3153.600110.7E279 L283E279-E281 VanDerWaalsContact C-N 3.29Å; E279-E281 PolarHBondContact O-N 3.33Å; E281-L283 PolarHBondContact O-N 3.08Å
282K29.6Very low33.8Very low212 Ų212153.2 Ų153.292%0.92278%0.775SS**  trans-5191.6164.9-75170.8172.4175.20110.4D284K282-D284 PolarHBondContact O-N 2.77Å
283L33.1Very low34.4Very low158 Ų158154.7 Ų154.783%0.82777%0.773SS**  trans-81.5106.7164-74.5173.4000108.9E281 E285E281-L283 PolarHBondContact O-N 3.08Å; L283-E285 PolarHBondContact O-N 2.89Å
284D33.8Very low35.3Very low120 Ų120155.1 Ų155.164%0.64277%0.768SS**  trans-30.1117.2172.1-170.98.1000113.7K282 N286K282-D284 PolarHBondContact O-N 2.77Å; D284-N286 PolarHBondContact O-N 3.49Å; D284-N286 PolarHBondContact OD1-ND2 2.72Å
285E36.5Very low36.3Very low191 Ų191151.2 Ų151.289%0.89375%0.752SS**THydrogen-bonded Turntrans-67.913.9-178.5-74.3-157.6154.800114.6L283L283-E285 PolarHBondContact O-N 2.89Å
286N35.5Very low37.8Very low124 Ų124154.8 Ų154.866%0.66375%0.751SS**THydrogen-bonded Turntrans-97.43.7-173.6-72-46.6000115.7D284 K288D284-N286 PolarHBondContact O-N 3.49Å; D284-N286 PolarHBondContact OD1-ND2 2.72Å; N286-K288 PolarHBondContact O-N 2.93Å
287A37.6Very low38.9Very low76 Ų76156.8 Ų156.863%0.62875%0.75SS**  trans-7771.2167.400000110.4I289A287-I289 HydrophobicContact CB-CD1 4.38Å; A287-I289 HydrophobicContact CB-CG1 4.27Å; A287-I289 PolarHBondContact O-N 2.88Å
288K34.6Very low40.2Very low194 Ų194149.9 Ų149.984%0.84373%0.73SS**  trans-59.977157.4-78.3173174.31680108.2N286 S290N286-K288 PolarHBondContact O-N 2.93Å; K288-S290 PolarHBondContact O-N 3.23Å
289I37.8Very low41.5Very low145 Ų145143.7 Ų143.774%0.74471%0.714SS**  trans-7191.1168.6-62.4157.9000104.6A287 P291A287-I289 HydrophobicContact CB-CD1 4.38Å; A287-I289 HydrophobicContact CB-CG1 4.27Å; A287-I289 PolarHBondContact O-N 2.88Å; I289-P291 VanDerWaalsContact O-CD 3.29Å; I289-P291 WeakPolarHBondContact O-CD 3.47Å; I289-P291 VanDerWaalsContact O-N 3.15Å
290S37.5Very low42.6Very low72 Ų72142.4 Ų142.450%0.50371%0.706SS.*  trans-56.6115.9171.858.90000107.8K288 E292K288-S290 PolarHBondContact O-N 3.23Å; S290-E292 PolarHBondContact O-N 3.45Å
291P43.9Very low43.8Very low120 Ų120140.6 Ų140.678%0.77969%0.692SS**THydrogen-bonded Turntrans-79.716.3-169.731.1-33.2000113.5I289I289-P291 VanDerWaalsContact O-CD 3.29Å; I289-P291 WeakPolarHBondContact O-CD 3.47Å; I289-P291 VanDerWaalsContact O-N 3.15Å
292E48.5Very low44.5Very low178 Ų178136.3 Ų136.383%0.83268%0.679SS**THydrogen-bonded Turntrans-113.4-4-164.2-132.3172.4-169.500115.2S290 F294S290-E292 PolarHBondContact O-N 3.45Å; E292-F294 PolarHBondContact O-N 3.21Å; E292-F294 VanDerWaalsContact O-N 3.14Å
293I44.6Very low45.7Very low138 Ų138132.5 Ų132.571%0.70866%0.663SS**  trans-89.753.5169-40.5175000108.4D295I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 3.27Å
294F44.6Very low46.7Very low156 Ų156129.8 Ų129.868%0.68465%0.648SS**  trans-64.5107.6153.7-109.7-87.7000105.3E292 R296E292-F294 PolarHBondContact O-N 3.21Å; E292-F294 VanDerWaalsContact O-N 3.14Å; F294-R296 PolarHBondContact O-N 3.37Å
295D52.1Low47.7Very low84 Ų84127.6 Ų127.645%0.44964%0.639SS.*  trans-46.3114.7-172.1-120.5-31.2000109.5I293 K297 L298 L299I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 3.27Å; D295-K297 PolarHBondContact O-N 3.1Å; D295-L298 HydrophobicContact CB-CB 4.19Å; D295-L298 HydrophobicContact CB-CD1 3.99Å; D295-L298 HydrophobicContact CB-CG 3.89Å; D295-L298 WeakPolarHBondContact O-CB 3.36Å; D295-L298 PolarHBondContact O-N 2.84Å; D295-L299 PolarHBondContact O-N 3.39Å; D295-L299 VanDerWaalsContact O-N 3.08Å
296R55.3Low48.6Very low212 Ų212121.4 Ų121.480%0.861%0.612SS**Hα-helixtrans-53.1-24.1175.6-82.3-176.3175.7-174.4-0.5111.5F294 K300F294-R296 PolarHBondContact O-N 3.37Å; R296-K300 WeakPolarHBondContact O-CG 3.25Å; R296-K300 PolarHBondContact O-N 2.82Å
297K58Low49.9Very low152 Ų152120.5 Ų120.566%0.66160%0.603SS**Hα-helixtrans-64.7-52.3172.5-67.5-176.2178.9-1790111.7D295 L299 K300 E301D295-K297 PolarHBondContact O-N 3.1Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 3.47Å; K297-K300 PolarHBondContact O-N 3.37Å; K297-K300 VanDerWaalsContact O-N 3.08Å; K297-E301 PolarHBondContact O-N 3.06Å
298L55Low51.5Low86 Ų86120.9 Ų120.945%0.4560%0.595SS.*Hα-helixtrans-59.8-38.9175.3-67.1176.6000111.4D295 K300 E301 C302D295-L298 HydrophobicContact CB-CB 4.19Å; D295-L298 HydrophobicContact CB-CD1 3.99Å; D295-L298 HydrophobicContact CB-CG 3.89Å; D295-L298 WeakPolarHBondContact O-CB 3.36Å; D295-L298 PolarHBondContact O-N 2.84Å; L298-K300 PolarHBondContact O-N 2.83Å; L298-E301 PolarHBondContact O-N 3.44Å; L298-C302 WeakPolarHBondContact O-CB 3.36Å; L298-C302 PolarHBondContact O-N 3.19Å; L298-C302 PolarHBondContact O-SG 3.1Å
299L55.1Low53.6Low103 Ų103115.8 Ų115.854%0.53957%0.574SS.*Hα-helixtrans-66.4-36.3175.4-77.7171000113.1D295 K297 K303D295-L299 PolarHBondContact O-N 3.39Å; D295-L299 VanDerWaalsContact O-N 3.08Å; K297-L299 VanDerWaalsContact C-N 3.28Å; K297-L299 PolarHBondContact O-N 3.47Å; L299-K303 WeakPolarHBondContact O-CB 3.39Å; L299-K303 PolarHBondContact O-N 3.13Å
300K56.6Low55.7Low150 Ų150111.6 Ų111.665%0.65255%0.549SS*.Hα-helixtrans-68.8-47175.1-80.2-177.2177.5-172.20111.1R296 K297 L298 K303 I304R296-K300 WeakPolarHBondContact O-CG 3.25Å; R296-K300 PolarHBondContact O-N 2.82Å; K297-K300 PolarHBondContact O-N 3.37Å; K297-K300 VanDerWaalsContact O-N 3.08Å; L298-K300 PolarHBondContact O-N 2.83Å; K300-K303 PolarHBondContact O-N 3.12Å; K300-I304 WeakPolarHBondContact O-CD1 3.44Å; K300-I304 WeakPolarHBondContact O-CG1 3.28Å; K300-I304 PolarHBondContact O-N 2.77Å
301E55.3Low57.8Low117 Ų117112 Ų11255%0.54755%0.546SS..Hα-helixtrans-61.3-49.3176.6-75.6171.8-174.600110.7K297 L298 K303 I304 V305K297-E301 PolarHBondContact O-N 3.06Å; L298-E301 PolarHBondContact O-N 3.44Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 3.05Å; E301-I304 PolarHBondContact O-N 3.29Å; E301-V305 WeakPolarHBondContact O-CB 3.29Å; E301-V305 VanDerWaalsContact O-CG2 3.24Å; E301-V305 WeakPolarHBondContact O-CG2 3.23Å; E301-V305 PolarHBondContact O-N 3.13Å
302C49.8Very low59.7Low74 Ų74112.1 Ų112.150%0.554%0.536SS..Hα-helixtrans-59.6-41.4175-71.50000111.8L298 L306L298-C302 WeakPolarHBondContact O-CB 3.36Å; L298-C302 PolarHBondContact O-N 3.19Å; L298-C302 PolarHBondContact O-SG 3.1Å; C302-L306 VanDerWaalsContact O-CB 3.27Å; C302-L306 WeakPolarHBondContact O-CB 3.41Å; C302-L306 PolarHBondContact O-N 3.01Å
303K54.9Low61.3Low133 Ų133104 Ų10458%0.57850%0.5SS*.Hα-helixtrans-63.7-43.4179.1-174.3-179.5175.6-1670111.8L299 K300 E301 E307L299-K303 WeakPolarHBondContact O-CB 3.39Å; L299-K303 PolarHBondContact O-N 3.13Å; K300-K303 PolarHBondContact O-N 3.12Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 3.05Å; K303-E307 WeakPolarHBondContact CE-OE1 3.46Å; K303-E307 IonicContact NZ-OE1 3.8Å; K303-E307 WeakPolarHBondContact O-CG 3.41Å; K303-E307 PolarHBondContact O-N 3.06Å; K303-E307 VanDerWaalsContact O-N 3.13Å
304I53.9Low63.2Low100 Ų10099.8 Ų99.851%0.51348%0.478SS..Hα-helixtrans-66.4-48.9179.8-64.9161.2000109.9K300 E301 L306 E307 D308K300-I304 WeakPolarHBondContact O-CD1 3.44Å; K300-I304 WeakPolarHBondContact O-CG1 3.28Å; K300-I304 PolarHBondContact O-N 2.77Å; E301-I304 PolarHBondContact O-N 3.29Å; I304-L306 VanDerWaalsContact C-N 3.29Å; I304-L306 PolarHBondContact O-N 3.24Å; I304-E307 PolarHBondContact O-N 3.14Å; I304-D308 PolarHBondContact O-N 3.34Å; I304-D308 VanDerWaalsContact O-N 3.11Å
305V54.9Low65.2Low74 Ų74103 Ų10345%0.44849%0.486SS..Hα-helixtrans-61.4-38.9179.7175.80000111.4E301 D308 E309E301-V305 WeakPolarHBondContact O-CB 3.29Å; E301-V305 VanDerWaalsContact O-CG2 3.24Å; E301-V305 WeakPolarHBondContact O-CG2 3.23Å; E301-V305 PolarHBondContact O-N 3.13Å; V305-D308 PolarHBondContact O-N 3.18Å; V305-E309 HydrophobicContact CG1-CG 4.38Å; V305-E309 WeakPolarHBondContact CG1-OE1 3.24Å; V305-E309 WeakPolarHBondContact O-CB 3.43Å; V305-E309 WeakPolarHBondContact O-CG 3.48Å; V305-E309 PolarHBondContact O-N 3.25Å
306L55.9Low66.8Low62 Ų62103.9 Ų103.933%0.32550%0.497SS..Hα-helixtrans-71.7-38.8-178.7-130.7101.9000113.7C302 I304 D308 Y310 L334 P336C302-L306 VanDerWaalsContact O-CB 3.27Å; C302-L306 WeakPolarHBondContact O-CB 3.41Å; C302-L306 PolarHBondContact O-N 3.01Å; I304-L306 VanDerWaalsContact C-N 3.29Å; I304-L306 PolarHBondContact O-N 3.24Å; L306-D308 VanDerWaalsContact C-N 3.32Å; L306-Y310 VanDerWaalsContact O-CB 3.31Å; L306-Y310 WeakPolarHBondContact O-CB 3.26Å; L306-Y310 PolarHBondContact O-N 3.01Å; L306-Y310 VanDerWaalsContact O-N 3.08Å; L306-L334 WeakPolarHBondContact CD2-O 3.41Å; L306-P336 HydrophobicContact CD2-CG 4.18Å
307E61.1Low68.2Low104 Ų10499.1 Ų99.149%0.48648%0.48SS..Hα-helixtrans-64-42.8176.4-75178.4-17500109.3K303 I304 D311K303-E307 WeakPolarHBondContact CE-OE1 3.46Å; K303-E307 IonicContact NZ-OE1 3.8Å; K303-E307 WeakPolarHBondContact O-CG 3.41Å; K303-E307 PolarHBondContact O-N 3.06Å; K303-E307 VanDerWaalsContact O-N 3.13Å; I304-E307 PolarHBondContact O-N 3.14Å; E307-D311 VanDerWaalsContact O-CB 3.3Å; E307-D311 WeakPolarHBondContact O-CB 3.4Å; E307-D311 VanDerWaalsContact O-CG 3.26Å; E307-D311 PolarHBondContact O-N 2.86Å
308D72.3Confident69.6Low84 Ų8493.2 Ų93.245%0.44946%0.462SS..Hα-helixtrans-66.7-44.1178.7-68.1-20.6000112.9I304 V305 L306 D311 Q312I304-D308 PolarHBondContact O-N 3.34Å; I304-D308 VanDerWaalsContact O-N 3.11Å; V305-D308 PolarHBondContact O-N 3.18Å; L306-D308 VanDerWaalsContact C-N 3.32Å; D308-D311 PolarHBondContact O-N 2.81Å; D308-Q312 WeakPolarHBondContact O-CB 3.28Å; D308-Q312 WeakPolarHBondContact O-CG 3.42Å; D308-Q312 PolarHBondContact O-N 3.46Å
309E79.5Confident71Confident87 Ų8797.3 Ų97.341%0.40747%0.472SS..Hα-helixtrans-66.8-41.2179.1-77.5-178-168.200112.4V305 A313 L334V305-E309 HydrophobicContact CG1-CG 4.38Å; V305-E309 WeakPolarHBondContact CG1-OE1 3.24Å; V305-E309 WeakPolarHBondContact O-CB 3.43Å; V305-E309 WeakPolarHBondContact O-CG 3.48Å; V305-E309 PolarHBondContact O-N 3.25Å; E309-A313 WeakPolarHBondContact O-CB 3.42Å; E309-A313 PolarHBondContact O-N 2.91Å; E309-L334 HydrophobicContact CB-CD2 4.03Å
310Y79.8Confident72.5Confident58 Ų5898.1 Ų98.123%0.22747%0.468CS..Hα-helixtrans-67-40.8177.7-177.5-97.5000111.4L306 A313 L314 M321 L335L306-Y310 VanDerWaalsContact O-CB 3.31Å; L306-Y310 WeakPolarHBondContact O-CB 3.26Å; L306-Y310 PolarHBondContact O-N 3.01Å; L306-Y310 VanDerWaalsContact O-N 3.08Å; Y310-A313 PolarHBondContact O-N 3.35Å; Y310-L314 HydrophobicContact CD1-CD1 3.73Å; Y310-L314 HydrophobicContact CD1-CG 4.44Å; Y310-L314 HydrophobicContact CE1-CD1 3.26Å; Y310-L314 HydrophobicContact CE1-CG 3.99Å; Y310-L314 PolarHBondContact O-N 2.94Å; Y310-M321 HydrophobicContact CD2-CE 3.56Å; Y310-M321 HydrophobicContact CE2-CE 3.33Å; Y310-L335 HydrophobicContact CD2-CD2 3.65Å; Y310-L335 HydrophobicContact CD2-CG 4.2Å; Y310-L335 HydrophobicContact CE2-CD1 4.26Å; Y310-L335 HydrophobicContact CE2-CD2 3.83Å; Y310-L335 HydrophobicContact CE2-CG 4.19Å; Y310-L335 HydrophobicContact CG-CD2 4.39Å
311D82.2Confident73.8Confident81 Ų8191 Ų9143%0.43344%0.437SS..Hα-helixtrans-69.7-37.4178.5-75.6-9.6000112.1E307 D308 A313 L314 R315E307-D311 VanDerWaalsContact O-CB 3.3Å; E307-D311 WeakPolarHBondContact O-CB 3.4Å; E307-D311 VanDerWaalsContact O-CG 3.26Å; E307-D311 PolarHBondContact O-N 2.86Å; D308-D311 PolarHBondContact O-N 2.81Å; D311-A313 VanDerWaalsContact C-N 3.35Å; D311-L314 WeakPolarHBondContact O-CB 3.12Å; D311-L314 PolarHBondContact O-N 3.49Å; D311-R315 WeakPolarHBondContact O-CG 3.38Å; D311-R315 PolarHBondContact O-N 3.36Å
312Q84.4Confident75.2Confident122 Ų12291.7 Ų91.757%0.5744%0.44SS*.Hα-helixtrans-62.3-42.5170.6-74.2173.330.300111.6D308 R315 C316D308-Q312 WeakPolarHBondContact O-CB 3.28Å; D308-Q312 WeakPolarHBondContact O-CG 3.42Å; D308-Q312 PolarHBondContact O-N 3.46Å; Q312-R315 PolarHBondContact O-N 2.91Å; Q312-C316 PolarHBondContact O-N 3.48Å; Q312-C316 PolarHBondContact O-SG 2.97Å
313A82.2Confident76.8Confident8 Ų890.6 Ų90.67%0.06643%0.428CS..Hα-helixtrans-66.5-35.9175.800000112.5E309 Y310 D311 R315 C316 Y317 M321 L334E309-A313 WeakPolarHBondContact O-CB 3.42Å; E309-A313 PolarHBondContact O-N 2.91Å; Y310-A313 PolarHBondContact O-N 3.35Å; D311-A313 VanDerWaalsContact C-N 3.35Å; A313-R315 VanDerWaalsContact C-N 3.33Å; A313-C316 PolarHBondContact O-N 2.82Å; A313-Y317 HydrophobicContact CB-CD2 4.12Å; A313-Y317 HydrophobicContact CB-CE2 4.43Å; A313-Y317 WeakPolarHBondContact O-CB 3.37Å; A313-Y317 VanDerWaalsContact O-CD2 3.3Å; A313-Y317 WeakPolarHBondContact O-CD2 3.4Å; A313-Y317 PolarHBondContact O-N 3.38Å; A313-M321 HydrophobicContact CB-CE 4.09Å; A313-M321 HydrophobicContact CB-SD 4.49Å; A313-L334 HydrophobicContact CB-CD1 3.25Å
314L84.7Confident78.2Confident48 Ų4890 Ų9025%0.25144%0.438SS..Hα-helixtrans-60.7-41.5171.2-98.1166.4000111.6Y310 D311 G318 M321 E322Y310-L314 HydrophobicContact CD1-CD1 3.73Å; Y310-L314 HydrophobicContact CD1-CG 4.44Å; Y310-L314 HydrophobicContact CE1-CD1 3.26Å; Y310-L314 HydrophobicContact CE1-CG 3.99Å; Y310-L314 PolarHBondContact O-N 2.94Å; D311-L314 WeakPolarHBondContact O-CB 3.12Å; D311-L314 PolarHBondContact O-N 3.49Å; L314-G318 WeakPolarHBondContact O-CA 3.44Å; L314-G318 PolarHBondContact O-N 3.07Å; L314-M321 HydrophobicContact CD2-CB 3.89Å; L314-M321 HydrophobicContact CG-CB 4.15Å; L314-E322 HydrophobicContact CD2-CG 4.44Å
315R85.4Confident79.5Confident224 Ų22488 Ų8885%0.84544%0.443SS*.Hα-helixtrans-65.2-38.4175.4-68.5176.4-172.3-162.63.6112.5D311 Q312 A313D311-R315 WeakPolarHBondContact O-CG 3.38Å; D311-R315 PolarHBondContact O-N 3.36Å; Q312-R315 PolarHBondContact O-N 2.91Å; A313-R315 VanDerWaalsContact C-N 3.33Å
316C86.7Confident80.8Confident102 Ų10286.5 Ų86.569%0.68943%0.432SS*.Hα-helixtrans-78.3-44.8-178.1-63.20000113.4Q312 A313Q312-C316 PolarHBondContact O-N 3.48Å; Q312-C316 PolarHBondContact O-SG 2.97Å; A313-C316 PolarHBondContact O-N 2.82Å
317Y84.8Confident82.1Confident113 Ų11387.8 Ų87.844%0.44344%0.444SS..Hα-helixtrans-102.3-11.8-172.3-60.5-67.7000113.5A313 W319 R320 M321 L330A313-Y317 HydrophobicContact CB-CD2 4.12Å; A313-Y317 HydrophobicContact CB-CE2 4.43Å; A313-Y317 WeakPolarHBondContact O-CB 3.37Å; A313-Y317 VanDerWaalsContact O-CD2 3.3Å; A313-Y317 WeakPolarHBondContact O-CD2 3.4Å; A313-Y317 PolarHBondContact O-N 3.38Å; Y317-W319 PolarHBondContact O-N 2.88Å; Y317-R320 WeakPolarHBondContact O-CB 3.46Å; Y317-R320 PolarHBondContact O-N 2.91Å; Y317-M321 HydrophobicContact CD2-CG 4.44Å; Y317-L330 HydrophobicContact CD1-CD1 4.04Å; Y317-L330 HydrophobicContact CD1-CD2 4.29Å; Y317-L330 HydrophobicContact CD2-CD1 4.47Å; Y317-L330 HydrophobicContact CD2-CD2 4.49Å; Y317-L330 HydrophobicContact CE1-CD2 3.98Å; Y317-L330 HydrophobicContact CE2-CD2 4.22Å; Y317-L330 HydrophobicContact CG-CD1 4Å
318G86.9Confident83.2Confident28 Ų2886.4 Ų86.429%0.28944%0.44SS..G310 helixtrans55.4-132.7177.500000112.8L314 R320 M321L314-G318 WeakPolarHBondContact O-CA 3.44Å; L314-G318 PolarHBondContact O-N 3.07Å; G318-R320 PolarHBondContact O-N 3.19Å; G318-M321 PolarHBondContact O-N 3.27Å
319W85.6Confident83.6Confident171 Ų17187.8 Ų87.865%0.64845%0.447SS*.G310 helixtrans-56-20.2-178.469.5-92.1000114.4Y317 M321 E322 I323Y317-W319 PolarHBondContact O-N 2.88Å; W319-M321 PolarHBondContact O-N 3.1Å; W319-E322 WeakPolarHBondContact O-CB 3.38Å; W319-E322 PolarHBondContact O-N 2.97Å; W319-I323 HydrophobicContact CE3-CD1 4.14Å; W319-I323 HydrophobicContact CE3-CG1 4.18Å; W319-I323 HydrophobicContact CZ3-CD1 3.67Å; W319-I323 HydrophobicContact CZ3-CG1 4.13Å
320R85Confident83.8Confident121 Ų12185.2 Ų85.246%0.45744%0.436SS..G310 helixtrans-61.4-31.7175.5-66.5-179.7172.4-141.41.4112Y317 G318 E322 L328 L330Y317-R320 WeakPolarHBondContact O-CB 3.46Å; Y317-R320 PolarHBondContact O-N 2.91Å; G318-R320 PolarHBondContact O-N 3.19Å; R320-E322 VanDerWaalsContact C-N 3.25Å; R320-E322 PolarHBondContact O-N 3.33Å; R320-L328 HydrophobicContact CB-CD1 3.81Å; R320-L328 HydrophobicContact CG-CD1 3.94Å; R320-L330 HydrophobicContact CB-CD1 4.02Å
321M85Confident83.9Confident0 Ų083.5 Ų83.50%043%0.43CS..G310 helixtrans-76.1-9.3174.3-72.9-63.2-71.500113.1Y310 A313 L314 Y317 G318 W319 L330 K331 L334Y310-M321 HydrophobicContact CD2-CE 3.56Å; Y310-M321 HydrophobicContact CE2-CE 3.33Å; A313-M321 HydrophobicContact CB-CE 4.09Å; A313-M321 HydrophobicContact CB-SD 4.49Å; L314-M321 HydrophobicContact CD2-CB 3.89Å; L314-M321 HydrophobicContact CG-CB 4.15Å; Y317-M321 HydrophobicContact CD2-CG 4.44Å; G318-M321 PolarHBondContact O-N 3.27Å; W319-M321 PolarHBondContact O-N 3.1Å; M321-L330 HydrophobicContact SD-CB 3.67Å; M321-K331 HydrophobicContact CE-CG 4.1Å; M321-K331 WeakPolarHBondContact O-CE 3.49Å; M321-K331 PolarHBondContact O-NZ 2.84Å; M321-K331 HydrophobicContact SD-CG 4.04Å; M321-L334 HydrophobicContact CE-CD1 3.5Å; M321-L334 HydrophobicContact SD-CD1 4.31Å
322E83.4Confident83.8Confident132 Ų13282.4 Ų82.462%0.61743%0.429SS*.THydrogen-bonded Turntrans-92-17.9178.5-60.9-178.217300112.8L314 W319 R320 P324L314-E322 HydrophobicContact CD2-CG 4.44Å; W319-E322 WeakPolarHBondContact O-CB 3.38Å; W319-E322 PolarHBondContact O-N 2.97Å; R320-E322 VanDerWaalsContact C-N 3.25Å; R320-E322 PolarHBondContact O-N 3.33Å; E322-P324 WeakPolarHBondContact O-CD 3.32Å
323I85.2Confident83.6Confident50 Ų5085.4 Ų85.426%0.25644%0.44SS..SBendtrans-58.8122.1-176.7-57174000111.1W319 P327 L328 K331W319-I323 HydrophobicContact CE3-CD1 4.14Å; W319-I323 HydrophobicContact CE3-CG1 4.18Å; W319-I323 HydrophobicContact CZ3-CD1 3.67Å; W319-I323 HydrophobicContact CZ3-CG1 4.13Å; I323-P327 HydrophobicContact CG2-CG 3.74Å; I323-L328 HydrophobicContact CD1-CD1 4.09Å; I323-K331 WeakPolarHBondContact O-CE 3.29Å; I323-K331 PolarHBondContact O-NZ 3.15Å
324P82.8Confident83.4Confident121 Ų12186.4 Ų86.479%0.78644%0.444SS*.SBendtrans-56.7141.3179.5-26.534.6000113.4E322E322-P324 WeakPolarHBondContact O-CD 3.32Å
325G81.5Confident83Confident59 Ų5987.5 Ų87.561%0.60845%0.45SS*.SBendtrans75.9-149.8-17000000111.1K331G325-K331 VanDerWaalsContact O-CD 3.31Å; G325-K331 WeakPolarHBondContact O-CD 3.49Å
326D83.4Confident82.5Confident42 Ų4281.2 Ų81.223%0.22544%0.438CS..  trans-147.270.6177.2-170.623.2000111.6L328 N329 L330 K331 S332D326-L328 VanDerWaalsContact C-N 3.26Å; D326-L328 PolarHBondContact O-N 2.86Å; D326-N329 WeakPolarHBondContact OD1-CA 3.17Å; D326-N329 PolarHBondContact OD1-N 3.42Å; D326-N329 VanDerWaalsContact OD1-N 3.13Å; D326-N329 VanDerWaalsContact OD2-CA 3.3Å; D326-N329 WeakPolarHBondContact OD2-CA 3.44Å; D326-L330 PolarHBondContact OD1-N 3.31Å; D326-K331 HydrophobicContact CB-CB 4.13Å; D326-K331 PolarHBondContact OD1-N 3.03Å; D326-K331 PolarHBondContact OD2-N 3.42Å; D326-S332 WeakPolarHBondContact OD2-CA 3.27Å; D326-S332 WeakPolarHBondContact OD2-CB 3.43Å; D326-S332 PolarHBondContact OD2-N 2.99Å; D326-S332 PolarHBondContact OD2-OG 3.04Å
327P82.7Confident82.1Confident89 Ų8985.1 Ų85.158%0.57844%0.443SS*.THydrogen-bonded Turntrans-73.2-17.8179.328.4-33000113.6I323I323-P327 HydrophobicContact CG2-CG 3.74Å
328L82.8Confident81.8Confident74 Ų7491.5 Ų91.539%0.38747%0.466SS..THydrogen-bonded Turntrans-103.73.7-176.6-60.9176.9000112.9R320 I323 D326 L330R320-L328 HydrophobicContact CB-CD1 3.81Å; R320-L328 HydrophobicContact CG-CD1 3.94Å; I323-L328 HydrophobicContact CD1-CD1 4.09Å; D326-L328 VanDerWaalsContact C-N 3.26Å; D326-L328 PolarHBondContact O-N 2.86Å; L328-L330 HydrophobicContact CB-CD1 3.87Å; L328-L330 HydrophobicContact CB-CG 3.79Å; L328-L330 HydrophobicContact CD1-CD1 4.03Å; L328-L330 PolarHBondContact O-N 3.28Å; L328-L330 VanDerWaalsContact O-N 3.14Å
329N82.5Confident81.6Confident113 Ų11397.2 Ų97.260%0.60449%0.49SS*.SBendtrans52.329.8-174.2-66.5-23.2000113.9D326D326-N329 WeakPolarHBondContact OD1-CA 3.17Å; D326-N329 PolarHBondContact OD1-N 3.42Å; D326-N329 VanDerWaalsContact OD1-N 3.13Å; D326-N329 VanDerWaalsContact OD2-CA 3.3Å; D326-N329 WeakPolarHBondContact OD2-CA 3.44Å
330L82.9Confident81.6Confident33 Ų3395.3 Ų95.317%0.17350%0.499CS..SBendtrans-90.5-31.8179.2-62.6176.3000110.9Y317 R320 M321 D326 L328 L334Y317-L330 HydrophobicContact CD1-CD1 4.04Å; Y317-L330 HydrophobicContact CD1-CD2 4.29Å; Y317-L330 HydrophobicContact CD2-CD1 4.47Å; Y317-L330 HydrophobicContact CD2-CD2 4.49Å; Y317-L330 HydrophobicContact CE1-CD2 3.98Å; Y317-L330 HydrophobicContact CE2-CD2 4.22Å; Y317-L330 HydrophobicContact CG-CD1 4Å; R320-L330 HydrophobicContact CB-CD1 4.02Å; M321-L330 HydrophobicContact SD-CB 3.67Å; D326-L330 PolarHBondContact OD1-N 3.31Å; L328-L330 HydrophobicContact CB-CD1 3.87Å; L328-L330 HydrophobicContact CB-CG 3.79Å; L328-L330 HydrophobicContact CD1-CD1 4.03Å; L328-L330 PolarHBondContact O-N 3.28Å; L328-L330 VanDerWaalsContact O-N 3.14Å; L330-L334 WeakPolarHBondContact O-CD1 3.39Å
331K82.5Confident81.7Confident22 Ų2299.3 Ų99.310%0.09652%0.516CS..SBendtrans-90-31.4-173.5-54.6-168.1-168.4-165.80113.9M321 I323 G325 D326 K333 L334 L335M321-K331 HydrophobicContact CE-CG 4.1Å; M321-K331 WeakPolarHBondContact O-CE 3.49Å; M321-K331 PolarHBondContact O-NZ 2.84Å; M321-K331 HydrophobicContact SD-CG 4.04Å; I323-K331 WeakPolarHBondContact O-CE 3.29Å; I323-K331 PolarHBondContact O-NZ 3.15Å; G325-K331 VanDerWaalsContact O-CD 3.31Å; G325-K331 WeakPolarHBondContact O-CD 3.49Å; D326-K331 HydrophobicContact CB-CB 4.13Å; D326-K331 PolarHBondContact OD1-N 3.03Å; D326-K331 PolarHBondContact OD2-N 3.42Å; K331-K333 PolarHBondContact O-N 3.06Å; K331-L334 PolarHBondContact O-N 3.41Å; K331-L334 VanDerWaalsContact O-N 3.08Å; K331-L335 HydrophobicContact CB-CD1 4.04Å; K331-L335 HydrophobicContact CB-CG 4.42Å; K331-L335 HydrophobicContact CD-CD1 4.24Å; K331-L335 WeakPolarHBondContact O-CB 3.32Å; K331-L335 PolarHBondContact O-N 2.8Å
332S80Confident81.8Confident59 Ų59104.5 Ų104.541%0.41355%0.552SS.*THydrogen-bonded Turntrans-61.9-25.4-174.445.90000114D326D326-S332 WeakPolarHBondContact OD2-CA 3.27Å; D326-S332 WeakPolarHBondContact OD2-CB 3.43Å; D326-S332 PolarHBondContact OD2-N 2.99Å; D326-S332 PolarHBondContact OD2-OG 3.04Å
333K79Confident81.7Confident184 Ų184103.3 Ų103.380%0.855%0.553SS**THydrogen-bonded Turntrans-82.8-33.4174.6-62.6-178.6-178.8179.50112.7K331K331-K333 PolarHBondContact O-N 3.06Å
334L78.1Confident81.7Confident30 Ų30109.3 Ų109.316%0.15758%0.578CS.*THydrogen-bonded Turntrans-92.3-36.1-172.7-62.1169.9000112.7L306 E309 A313 M321 L330 K331L306-L334 WeakPolarHBondContact CD2-O 3.41Å; E309-L334 HydrophobicContact CB-CD2 4.03Å; A313-L334 HydrophobicContact CB-CD1 3.25Å; M321-L334 HydrophobicContact CE-CD1 3.5Å; M321-L334 HydrophobicContact SD-CD1 4.31Å; L330-L334 WeakPolarHBondContact O-CD1 3.39Å; K331-L334 PolarHBondContact O-N 3.41Å; K331-L334 VanDerWaalsContact O-N 3.08Å
335L75.8Confident81.3Confident71 Ų71110.7 Ų110.737%0.37258%0.577SS.*SBendtrans-96.4129.4-178.7-62.2-178.9000109.9Y310 K331 K337Y310-L335 HydrophobicContact CD2-CD2 3.65Å; Y310-L335 HydrophobicContact CD2-CG 4.2Å; Y310-L335 HydrophobicContact CE2-CD1 4.26Å; Y310-L335 HydrophobicContact CE2-CD2 3.83Å; Y310-L335 HydrophobicContact CE2-CG 4.19Å; Y310-L335 HydrophobicContact CG-CD2 4.39Å; K331-L335 HydrophobicContact CB-CD1 4.04Å; K331-L335 HydrophobicContact CB-CG 4.42Å; K331-L335 HydrophobicContact CD-CD1 4.24Å; K331-L335 WeakPolarHBondContact O-CB 3.32Å; K331-L335 PolarHBondContact O-N 2.8Å; L335-K337 PolarHBondContact O-N 3.22Å
336P76.8Confident81Confident92 Ų92116.5 Ų116.560%0.59759%0.589SS**PPolyproline II helixtrans-59.2135.7175.624-35.7000109.8L306 R338L306-P336 HydrophobicContact CD2-CG 4.18Å; P336-R338 PolarHBondContact O-N 3.43Å
337K78.3Confident80.5Confident184 Ų184121.6 Ų121.680%0.862%0.615SS**PPolyproline II helixtrans-57.3123.5172.9-70.5-178.5-179175.30108.6L335 L339L335-K337 PolarHBondContact O-N 3.22Å; K337-L339 PolarHBondContact O-N 2.91Å; K337-L339 VanDerWaalsContact O-N 3.15Å
338R77.1Confident79.9Confident247 Ų247125.6 Ų125.693%0.93263%0.626SS**PPolyproline II helixtrans-63.7118175.6-69.4-174179.2-178.70.8108.8P336P336-R338 PolarHBondContact O-N 3.43Å
339L82.7Confident79Confident148 Ų148127.4 Ų127.478%0.77564%0.642SS**PPolyproline II helixtrans-67.7142.1173.4-64.8175.4000109.8K337 Y341K337-L339 PolarHBondContact O-N 2.91Å; K337-L339 VanDerWaalsContact O-N 3.15Å; L339-Y341 PolarHBondContact O-N 3.45Å
340P86.1Confident78.2Confident131 Ų131128.4 Ų128.485%0.85165%0.652SS**PPolyproline II helixtrans-62.6128.7172.126.9-32.6000109
341Y86.6Confident77.6Confident205 Ų205132.3 Ų132.380%0.80467%0.673SS**  trans-110.2134.7171.770.5-83.9000109.2L339 V343L339-Y341 PolarHBondContact O-N 3.45Å; Y341-V343 HydrophobicContact CD2-CG2 3.95Å; Y341-V343 HydrophobicContact CE2-CG2 3.99Å
342S86.7Confident77.1Confident108 Ų108142 Ų14276%0.75571%0.709SS**  trans-110.1124.1171.461.80000108.9
343V82.6Confident76.8Confident107 Ų107146.7 Ų146.765%0.64872%0.724SS**  trans-89.4118170.8-178.30000107.9Y341 L345Y341-V343 HydrophobicContact CD2-CG2 3.95Å; Y341-V343 HydrophobicContact CE2-CG2 3.99Å; V343-L345 PolarHBondContact O-N 3.27Å; V343-L345 VanDerWaalsContact O-N 3.16Å
344K84.1Confident76.4Confident177 Ų177142.6 Ų142.677%0.7772%0.716SS**  trans-70109.4172.7-67.6-176.2-178.8179.30108.5
345L75.6Confident76Confident149 Ų149145.4 Ų145.478%0.7874%0.736SS**  trans-80.3122.1170-67.3173000108.6V343 L347V343-L345 PolarHBondContact O-N 3.27Å; V343-L345 VanDerWaalsContact O-N 3.16Å; L345-L347 PolarHBondContact O-N 3.44Å
346H73.8Confident76Confident182 Ų182150.2 Ų150.284%0.84375%0.754SS**  trans-77.3-9176.6-66.4-26000113.6Q348H346-Q348 PolarHBondContact O-N 2.93Å
347L73.4Confident75.7Confident149 Ų149152.1 Ų152.178%0.7876%0.757SS**  trans-89.8106.3178.2-64.5168.6000108.2L345 P349L345-L347 PolarHBondContact O-N 3.44Å; L347-P349 WeakPolarHBondContact O-CD 3.39Å
348Q69.6Low75.2Confident173 Ų173149.1 Ų149.181%0.80875%0.754SS**  trans-62.7125156-77.1-161.4-7.200106.9H346 T350H346-Q348 PolarHBondContact O-N 2.93Å; Q348-T350 VanDerWaalsContact C-N 3.34Å; Q348-T350 PolarHBondContact O-N 3.48Å
349P64.5Low74.7Confident111 Ų111143 Ų14372%0.72173%0.734SS**  trans-63.3100.6173.225.1-31000107.7L347 L351L347-P349 WeakPolarHBondContact O-CD 3.39Å; P349-L351 PolarHBondContact O-N 3.36Å
350T66.5Low74Confident134 Ų134144.1 Ų144.182%0.82274%0.735SS**  trans-7285.7172.4-44.90000107.4Q348 R352Q348-T350 VanDerWaalsContact C-N 3.34Å; Q348-T350 PolarHBondContact O-N 3.48Å; T350-R352 PolarHBondContact O-N 3.46Å
351L68.8Low73.2Confident116 Ų116144.5 Ų144.561%0.60773%0.73SS**PPolyproline II helixtrans-60.2125.3167.1-62.4-178.5000106.9P349 Q353 Y403P349-L351 PolarHBondContact O-N 3.36Å; L351-Q353 PolarHBondContact O-N 3.21Å; L351-Y403 HydrophobicContact CD1-CE1 4.44Å; L351-Y403 HydrophobicContact CD2-CE1 4.38Å; L351-Y403 WeakPolarHBondContact CD2-OH 3.49Å
352R72.1Confident72.1Confident226 Ų226140.5 Ų140.585%0.85373%0.727SS**PPolyproline II helixtrans-55.2132.5172-69.9-172.4178.9179-0108T350T350-R352 PolarHBondContact O-N 3.46Å
353Q74.1Confident71.1Confident157 Ų157143.9 Ų143.973%0.73473%0.731SS**PPolyproline II helixtrans-54.7136.3176.3-68.5-175.36.300109.1L351L351-Q353 PolarHBondContact O-N 3.21Å
354P71.1Confident70.1Confident98 Ų98143.1 Ų143.164%0.63673%0.726SS**PPolyproline II helixtrans-62.1149.7178.526.4-33.9000110.2K356P354-K356 PolarHBondContact O-N 3.47Å
355P70.7Confident69.2Low88 Ų88144 Ų14457%0.57173%0.731SS**PPolyproline II helixtrans-58.8129.6175.723.7-32000110.1Y388P355-Y388 HydrophobicContact CG-CE2 4.34Å
356K74.3Confident68.8Low173 Ų173144.5 Ų144.575%0.75273%0.727SS**PPolyproline II helixtrans-93.1130.8175.6-66.9-179.2-177.7174.90109.4P354 T358P354-K356 PolarHBondContact O-N 3.47Å; K356-T358 PolarHBondContact O-N 2.86Å
357M72.2Confident68.4Low131 Ų131144.7 Ų144.765%0.64573%0.728SS**PPolyproline II helixtrans-77.2118.4174.6-167.7174.87400109.5K359 I379M357-K359 HydrophobicContact CE-CG 4.44Å; M357-I379 HydrophobicContact CE-CD1 3.9Å
358T66.2Low67.6Low121 Ų121141 Ų14174%0.74271%0.713SS**PPolyproline II helixtrans-88.4133.1171.150.20000109.3K356K356-T358 PolarHBondContact O-N 2.86Å
359K67Low67.4Low119 Ų119140 Ų14052%0.51772%0.719SS.*  trans-104.3122.9170.8-68.7179.5-174.6170.90107.8M357 F377 I379M357-K359 HydrophobicContact CE-CG 4.44Å; K359-F377 HydrophobicContact CD-CE2 4.42Å; K359-F377 HydrophobicContact CD-CZ 3.74Å; K359-I379 VanDerWaalsContact NZ-CD1 3.34Å
360Q68.5Low67.5Low171 Ų171139.8 Ų139.880%0.79972%0.715SS**  trans-100.5128.3168.8-68.8179.8-12.300107.7V362Q360-V362 PolarHBondContact O-N 3.17Å
361N68.1Low67.7Low140 Ų140143 Ų14375%0.74972%0.718SS**  trans-86.7103.8170.2-1472.9000106E363N361-E363 PolarHBondContact O-N 3.23Å; N361-E363 VanDerWaalsContact O-N 3.14Å
362V64.5Low67.5Low121 Ų121142.4 Ų142.473%0.73371%0.714SS**  trans-74.8103.9172.2-178.80000105.4Q360 T364Q360-V362 PolarHBondContact O-N 3.17Å; V362-T364 PolarHBondContact O-N 3.17Å
363E65.3Low67.2Low179 Ų179136.8 Ų136.884%0.83671%0.707SS**  trans-54.9126.6170-79-177.9167.200108.2N361N361-E363 PolarHBondContact O-N 3.23Å; N361-E363 VanDerWaalsContact O-N 3.14Å
364T62.2Low66.8Low90 Ų90136 Ų13655%0.55271%0.707SS**  trans-61.3139.5174.143.80000109.2V362 F366V362-T364 PolarHBondContact O-N 3.17Å; T364-F366 CarbonylContact O-C 3.59Å; T364-F366 PolarHBondContact O-N 3.06Å; T364-F366 PolarHBondContact OG1-O 3.23Å
365F64.4Low66.4Low196 Ų196135.7 Ų135.786%0.8671%0.705SS**SBendtrans-54.6-27.1179.2-176.5-98.7000113.4
366F66.9Low65.9Low160 Ų160137.1 Ų137.170%0.70272%0.717SS**SBendtrans-86.1124.3172-58.1-74.5000109.8T364 P368T364-F366 CarbonylContact O-C 3.59Å; T364-F366 PolarHBondContact O-N 3.06Å; T364-F366 PolarHBondContact OG1-O 3.23Å; F366-P368 VanDerWaalsContact O-CD 3.25Å; F366-P368 WeakPolarHBondContact O-CD 3.32Å; F366-P368 VanDerWaalsContact O-N 3.13Å
367Q65.7Low65.6Low185 Ų185134.8 Ų134.886%0.86471%0.706SS**PPolyproline II helixtrans-57.3116.7165.4-74.6-176.5-12.200108T369Q367-T369 PolarHBondContact O-N 3.16Å; Q367-T369 VanDerWaalsContact O-N 3.15Å
368P56.4Low64.9Low73 Ų73135.3 Ų135.347%0.47472%0.718SS.*PPolyproline II helixtrans-69.8117.7179.428.9-33000108.5F366 V370 I372F366-P368 VanDerWaalsContact O-CD 3.25Å; F366-P368 WeakPolarHBondContact O-CD 3.32Å; F366-P368 VanDerWaalsContact O-N 3.13Å; P368-V370 WeakPolarHBondContact CB-O 3.46Å; P368-V370 PolarHBondContact O-N 3.15Å; P368-I372 HydrophobicContact CB-CD1 3.59Å; P368-I372 HydrophobicContact CB-CG1 3.84Å; P368-I372 HydrophobicContact CG-CD1 4.02Å; P368-I372 HydrophobicContact CG-CG1 4.33Å
369T65.2Low64.6Low151 Ų151132.6 Ų132.693%0.92670%0.698SS**SBendtrans-64.3-19.9174.834.30000112.5Q367Q367-T369 PolarHBondContact O-N 3.16Å; Q367-T369 VanDerWaalsContact O-N 3.15Å
370V67.1Low64.2Low106 Ų106132.4 Ų132.464%0.64270%0.698SS**SBendtrans-108.9131.9173.3-175.40000108.1P368 I372P368-V370 WeakPolarHBondContact CB-O 3.46Å; P368-V370 PolarHBondContact O-N 3.15Å; V370-I372 PolarHBondContact O-N 3.33Å
371K70.7Confident64Low201 Ų201129.9 Ų129.987%0.87470%0.697SS**  trans-58.2100.8171.8-68.5-178.3-179.4179.50108.4P373K371-P373 WeakPolarHBondContact O-CD 3.5Å; K371-P373 VanDerWaalsContact O-N 3.12Å
372I66Low63.8Low105 Ų105126.9 Ų126.954%0.53868%0.681SS.*  trans-65.5114.5175.6-59.5171.3000105.5P368 V370 I374P368-I372 HydrophobicContact CB-CD1 3.59Å; P368-I372 HydrophobicContact CB-CG1 3.84Å; P368-I372 HydrophobicContact CG-CD1 4.02Å; P368-I372 HydrophobicContact CG-CG1 4.33Å; V370-I372 PolarHBondContact O-N 3.33Å; I372-I374 PolarHBondContact O-N 2.84Å
373P65.6Low63.9Low108 Ų108127.4 Ų127.470%0.70167%0.673SS**  trans-57.5129.7172.524.8-31.4000106.7K371 P375K371-P373 WeakPolarHBondContact O-CD 3.5Å; K371-P373 VanDerWaalsContact O-N 3.12Å; P373-P375 WeakPolarHBondContact O-CD 3.44Å
374I65.2Low63.9Low141 Ų141121.7 Ų121.772%0.72365%0.651SS**  trans-52115.8177-60.3169.4000106I372 S376I372-I374 PolarHBondContact O-N 2.84Å; I374-S376 PolarHBondContact O-N 2.94Å
375P61.7Low64.4Low91 Ų91119.2 Ų119.259%0.59164%0.637SS**  trans-61.3106.8178.9-917.1000107.1P373 F377P373-P375 WeakPolarHBondContact O-CD 3.44Å; P375-F377 WeakPolarHBondContact O-CD1 3.49Å; P375-F377 PolarHBondContact O-N 2.96Å
376S61.2Low64.9Low118 Ų118118.4 Ų118.483%0.82564%0.636SS**  trans-83.8104.1169.956.20000106.7I374I374-S376 PolarHBondContact O-N 2.94Å
377F67.1Low65.1Low123 Ų123118.5 Ų118.554%0.53964%0.637SS.*  trans-101124.1169.956.1-81.9000108.5K359 P375 I379K359-F377 HydrophobicContact CD-CE2 4.42Å; K359-F377 HydrophobicContact CD-CZ 3.74Å; P375-F377 WeakPolarHBondContact O-CD1 3.49Å; P375-F377 PolarHBondContact O-N 2.96Å; F377-I379 HydrophobicContact CD2-CD1 4.18Å; F377-I379 HydrophobicContact CD2-CG1 3.53Å; F377-I379 HydrophobicContact CE2-CD1 3.73Å; F377-I379 HydrophobicContact CE2-CG1 3.62Å; F377-I379 PolarHBondContact O-N 3.33Å
378T58Low65.4Low143 Ų143113.6 Ų113.688%0.87761%0.611SS**  trans-77.5106.2167.9-56.50000107.1H380T378-H380 PolarHBondContact O-N 3.47Å
379I59.9Low66.4Low64 Ų64112.8 Ų112.833%0.32860%0.602SS.*  trans-70124.5168.5-60.2178000106.5M357 K359 F377 F383M357-I379 HydrophobicContact CE-CD1 3.9Å; K359-I379 VanDerWaalsContact NZ-CD1 3.34Å; F377-I379 HydrophobicContact CD2-CD1 4.18Å; F377-I379 HydrophobicContact CD2-CG1 3.53Å; F377-I379 HydrophobicContact CE2-CD1 3.73Å; F377-I379 HydrophobicContact CE2-CG1 3.62Å; F377-I379 PolarHBondContact O-N 3.33Å; I379-F383 HydrophobicContact CG2-CB 3.64Å; I379-F383 HydrophobicContact CG2-CD1 3.81Å; I379-F383 HydrophobicContact CG2-CG 4.05Å
380H59.5Low66.9Low114 Ų114108.4 Ų108.453%0.52858%0.582SS.*  trans-56.8136.7172.3-168.2-91.6000109.2T378 D382 F383T378-H380 PolarHBondContact O-N 3.47Å; H380-D382 IonicContact CE1-OD2 3.13Å; H380-D382 PolarHBondContact CE1-OD2 3.1Å; H380-D382 WeakPolarHBondContact ND1-CB 3.35Å; H380-D382 PolarHBondContact ND1-N 3.28Å; H380-D382 VanDerWaalsContact ND1-N 3.18Å; H380-D382 IonicContact ND1-OD2 3.61Å; H380-D382 PolarHBondContact O-N 3.47Å; H380-F383 HydrophobicContact CB-CB 4.23Å; H380-F383 VanDerWaalsContact O-CB 3.29Å; H380-F383 WeakPolarHBondContact O-CB 3.4Å; H380-F383 PolarHBondContact O-N 3.1Å
381P63Low67.3Low118 Ų118107.7 Ų107.777%0.76657%0.571SS**THydrogen-bonded Turntrans-54.5-28.5-178.720.8-33.1000113
382D64.6Low67.4Low78 Ų7899.6 Ų99.642%0.41754%0.535SS..THydrogen-bonded Turntrans-94.23.4178.9-50.2-37.1000114.2H380 T384H380-D382 IonicContact CE1-OD2 3.13Å; H380-D382 PolarHBondContact CE1-OD2 3.1Å; H380-D382 WeakPolarHBondContact ND1-CB 3.35Å; H380-D382 PolarHBondContact ND1-N 3.28Å; H380-D382 VanDerWaalsContact ND1-N 3.18Å; H380-D382 IonicContact ND1-OD2 3.61Å; H380-D382 PolarHBondContact O-N 3.47Å; D382-T384 PolarHBondContact O-N 3.4Å; D382-T384 VanDerWaalsContact O-N 3.13Å
383F65.5Low68.1Low131 Ų13198.5 Ų98.558%0.57553%0.53SS*.  trans-67.5115.9176.8178.7-97000109.7I379 H380I379-F383 HydrophobicContact CG2-CB 3.64Å; I379-F383 HydrophobicContact CG2-CD1 3.81Å; I379-F383 HydrophobicContact CG2-CG 4.05Å; H380-F383 HydrophobicContact CB-CB 4.23Å; H380-F383 VanDerWaalsContact O-CB 3.29Å; H380-F383 WeakPolarHBondContact O-CB 3.4Å; H380-F383 PolarHBondContact O-N 3.1Å
384T67.1Low68.8Low59 Ų5999.6 Ų99.636%0.36252%0.521SS..  trans-113127.117149.40000107.8D382 Y388 N389D382-T384 PolarHBondContact O-N 3.4Å; D382-T384 VanDerWaalsContact O-N 3.13Å; T384-Y388 HydrophobicContact CG2-CD1 4.3Å; T384-Y388 HydrophobicContact CG2-CE1 4.48Å; T384-N389 WeakPolarHBondContact CB-ND2 3.15Å; T384-N389 WeakPolarHBondContact CB-OD1 3.21Å; T384-N389 PolarHBondContact OG1-ND2 3.08Å; T384-N389 PolarHBondContact OG1-OD1 3.29Å
385S71.9Confident69.5Low39 Ų3995 Ų9527%0.27350%0.498SS..  trans-67.3146.4175.867.70000110F387 Y388 N389S385-F387 PolarHBondContact O-N 2.98Å; S385-Y388 WeakPolarHBondContact O-CB 3.36Å; S385-Y388 PolarHBondContact O-N 3.06Å; S385-Y388 WeakPolarHBondContact OG-CB 3.29Å; S385-Y388 PolarHBondContact OG-N 3.17Å; S385-N389 PolarHBondContact O-N 3.18Å
386E73.9Confident70.4Confident178 Ų17893.7 Ų93.783%0.83249%0.485SS*.Hα-helixtrans-55.1-38.3175.6-65.9-177.417600111.3N389 A390E386-N389 PolarHBondContact O-N 3.43Å; E386-A390 WeakPolarHBondContact O-CB 3.46Å; E386-A390 PolarHBondContact O-N 3.14Å
387F72.4Confident71.3Confident162 Ų16296.7 Ų96.771%0.71148%0.483SS*.Hα-helixtrans-64.8-43.1175.7-170.2-95.8000112.7S385 N389 A390 H391S385-F387 PolarHBondContact O-N 2.98Å; F387-N389 VanDerWaalsContact C-N 3.33Å; F387-N389 PolarHBondContact O-N 3.2Å; F387-A390 PolarHBondContact O-N 3.06Å; F387-H391 WeakPolarHBondContact O-CB 3.4Å; F387-H391 PolarHBondContact O-N 3.48Å
388Y72Confident72.2Confident82 Ų8296.7 Ų96.732%0.32248%0.483SS..Hα-helixtrans-61.9-43.6175177.1-96.6000111P355 T384 S385 H391 R392P355-Y388 HydrophobicContact CG-CE2 4.34Å; T384-Y388 HydrophobicContact CG2-CD1 4.3Å; T384-Y388 HydrophobicContact CG2-CE1 4.48Å; S385-Y388 WeakPolarHBondContact O-CB 3.36Å; S385-Y388 PolarHBondContact O-N 3.06Å; S385-Y388 WeakPolarHBondContact OG-CB 3.29Å; S385-Y388 PolarHBondContact OG-N 3.17Å; Y388-H391 PolarHBondContact O-N 3.1Å; Y388-R392 WeakPolarHBondContact O-CB 3.16Å; Y388-R392 PolarHBondContact O-N 2.81Å
389N76.7Confident73.2Confident56 Ų5696.5 Ų96.530%0.29948%0.477SS..Hα-helixtrans-63.7-42.8177.3-74.7-26.6000112.2T384 S385 E386 F387 R392 N393T384-N389 WeakPolarHBondContact CB-ND2 3.15Å; T384-N389 WeakPolarHBondContact CB-OD1 3.21Å; T384-N389 PolarHBondContact OG1-ND2 3.08Å; T384-N389 PolarHBondContact OG1-OD1 3.29Å; S385-N389 PolarHBondContact O-N 3.18Å; E386-N389 PolarHBondContact O-N 3.43Å; F387-N389 VanDerWaalsContact C-N 3.33Å; F387-N389 PolarHBondContact O-N 3.2Å; N389-R392 PolarHBondContact O-N 3.04Å; N389-N393 WeakPolarHBondContact O-CB 3Å; N389-N393 PolarHBondContact O-N 3.05Å; N389-N393 PolarHBondContact O-ND2 2.82Å
390A76.7Confident74Confident60 Ų6099.8 Ų99.850%0.49649%0.494SS..Hα-helixtrans-62.6-47.817600000111.8E386 F387 N393 Y394E386-A390 WeakPolarHBondContact O-CB 3.46Å; E386-A390 PolarHBondContact O-N 3.14Å; F387-A390 PolarHBondContact O-N 3.06Å; A390-N393 PolarHBondContact O-N 3.22Å; A390-Y394 PolarHBondContact O-N 3.39Å
391H75.4Confident74.4Confident90 Ų9096.5 Ų96.542%0.41748%0.477SS..Hα-helixtrans-65.4-39.6178.8-169.460.6000112.2F387 Y388 Y394 M395F387-H391 WeakPolarHBondContact O-CB 3.4Å; F387-H391 PolarHBondContact O-N 3.48Å; Y388-H391 PolarHBondContact O-N 3.1Å; H391-Y394 WeakPolarHBondContact O-CB 3.48Å; H391-Y394 PolarHBondContact O-N 3.14Å; H391-M395 WeakPolarHBondContact CD2-CE 3.49Å; H391-M395 WeakPolarHBondContact NE2-CE 3.17Å; H391-M395 WeakPolarHBondContact O-CG 3.35Å; H391-M395 PolarHBondContact O-N 2.78Å
392R71.6Confident74.6Confident32 Ų3298 Ų9812%0.12148%0.478CS..Hα-helixtrans-61.8-48173.9179.8178.7174.7-82.8-8.3111.6Y388 N389 Y394 M395 I396 Y403 T405Y388-R392 WeakPolarHBondContact O-CB 3.16Å; Y388-R392 PolarHBondContact O-N 2.81Å; N389-R392 PolarHBondContact O-N 3.04Å; R392-Y394 PolarHBondContact O-N 3.47Å; R392-M395 PolarHBondContact O-N 3.37Å; R392-I396 HydrophobicContact CG-CD1 4.01Å; R392-I396 WeakPolarHBondContact O-CG1 3.22Å; R392-I396 PolarHBondContact O-N 3.26Å; R392-Y403 PolarHBondContact NH2-O 3.15Å; R392-T405 PolarHBondContact NH2-OG1 3.09Å; R392-T405 VanDerWaalsContact NH2-OG1 3.12Å
393N80.5Confident74.4Confident81 Ų8199 Ų9943%0.43348%0.477SS..Hα-helixtrans-60.5-36176.7-72.3-20.2000111.7N389 A390 K397N389-N393 WeakPolarHBondContact O-CB 3Å; N389-N393 PolarHBondContact O-N 3.05Å; N389-N393 PolarHBondContact O-ND2 2.82Å; A390-N393 PolarHBondContact O-N 3.22Å; N393-K397 WeakPolarHBondContact O-CB 3.46Å; N393-K397 VanDerWaalsContact O-CG 3.32Å; N393-K397 WeakPolarHBondContact O-CG 3.25Å; N393-K397 PolarHBondContact O-N 3.26Å
394Y82Confident73.9Confident131 Ų13197.3 Ų97.351%0.51449%0.487SS..Hα-helixtrans-62.3-45.8171.5172.5-95.2000112.1A390 H391 R392 K397 K398A390-Y394 PolarHBondContact O-N 3.39Å; H391-Y394 WeakPolarHBondContact O-CB 3.48Å; H391-Y394 PolarHBondContact O-N 3.14Å; R392-Y394 PolarHBondContact O-N 3.47Å; Y394-K397 PolarHBondContact O-N 2.73Å; Y394-K398 HydrophobicContact CE1-CG 4.25Å; Y394-K398 HydrophobicContact CE2-CG 4.32Å; Y394-K398 WeakPolarHBondContact O-CG 3.39Å; Y394-K398 PolarHBondContact O-N 3.03Å
395M79.7Confident73.4Confident46 Ų4698.1 Ų98.123%0.22749%0.492CS..Hα-helixtrans-66.3-37.8177.8-64.3-160.3-163.300113.4H391 R392 K398 D399 L400 W401H391-M395 WeakPolarHBondContact CD2-CE 3.49Å; H391-M395 WeakPolarHBondContact NE2-CE 3.17Å; H391-M395 WeakPolarHBondContact O-CG 3.35Å; H391-M395 PolarHBondContact O-N 2.78Å; R392-M395 PolarHBondContact O-N 3.37Å; M395-K398 CarbonylContact O-C 3.54Å; M395-K398 PolarHBondContact O-N 3.23Å; M395-K398 VanDerWaalsContact O-N 3.15Å; M395-D399 PolarHBondContact O-N 3.04Å; M395-L400 HydrophobicContact CB-CB 4.45Å; M395-L400 PolarHBondContact O-N 2.96Å; M395-W401 HydrophobicContact CB-CB 3.68Å; M395-W401 HydrophobicContact CB-CG 4.47Å; M395-W401 HydrophobicContact SD-CE3 3.65Å; M395-W401 HydrophobicContact SD-CZ3 4.24Å
396I79.4Confident72.2Confident63 Ų63105.7 Ų105.732%0.32352%0.515SS..Hα-helixtrans-62.9-44.5175.6-67.6168.6000110R392 K398 D399 W401R392-I396 HydrophobicContact CG-CD1 4.01Å; R392-I396 WeakPolarHBondContact O-CG1 3.22Å; R392-I396 PolarHBondContact O-N 3.26Å; I396-K398 PolarHBondContact O-N 3.04Å; I396-D399 PolarHBondContact O-N 2.77Å; I396-W401 HydrophobicContact CG1-CB 3.97Å; I396-W401 HydrophobicContact CG1-CG 4.15Å
397K81.1Confident71Confident181 Ų181103.8 Ų103.879%0.78751%0.51SS*.Hα-helixtrans-61.8-23.1175.2-75.9178.3179.7-176.30113.5N393 Y394N393-K397 WeakPolarHBondContact O-CB 3.46Å; N393-K397 VanDerWaalsContact O-CG 3.32Å; N393-K397 WeakPolarHBondContact O-CG 3.25Å; N393-K397 PolarHBondContact O-N 3.26Å; Y394-K397 PolarHBondContact O-N 2.73Å
398K85.3Confident69.5Low122 Ų122103 Ų10353%0.5350%0.503SS..THydrogen-bonded Turntrans-93.85.6177.7-69.6-70-174.7179.90113.1Y394 M395 I396 L400Y394-K398 HydrophobicContact CE1-CG 4.25Å; Y394-K398 HydrophobicContact CE2-CG 4.32Å; Y394-K398 WeakPolarHBondContact O-CG 3.39Å; Y394-K398 PolarHBondContact O-N 3.03Å; M395-K398 CarbonylContact O-C 3.54Å; M395-K398 PolarHBondContact O-N 3.23Å; M395-K398 VanDerWaalsContact O-N 3.15Å; I396-K398 PolarHBondContact O-N 3.04Å; K398-L400 HydrophobicContact CB-CD1 3.86Å; K398-L400 HydrophobicContact CB-CG 4.09Å; K398-L400 PolarHBondContact O-N 2.85Å; K398-L400 VanDerWaalsContact O-N 3.1Å
399D77.9Confident68Low140 Ų140104.4 Ų104.475%0.74953%0.525SS*.THydrogen-bonded Turntrans54.623.1-173.4-66.6-31.9000114.1M395 I396M395-D399 PolarHBondContact O-N 3.04Å; I396-D399 PolarHBondContact O-N 2.77Å
400L77Confident66Low133 Ų133109.4 Ų109.470%0.69655%0.545SS*.  trans-90.2-10.4177.4-69.8167000112.3M395 K398M395-L400 HydrophobicContact CB-CB 4.45Å; M395-L400 PolarHBondContact O-N 2.96Å; K398-L400 HydrophobicContact CB-CD1 3.86Å; K398-L400 HydrophobicContact CB-CG 4.09Å; K398-L400 PolarHBondContact O-N 2.85Å; K398-L400 VanDerWaalsContact O-N 3.1Å
401W69.7Low64Low44 Ų44111.5 Ų111.517%0.16756%0.562CS.*  trans-131.8106.8-173.4-169.2-81.1000111.9M395 I396 Y403M395-W401 HydrophobicContact CB-CB 3.68Å; M395-W401 HydrophobicContact CB-CG 4.47Å; M395-W401 HydrophobicContact SD-CE3 3.65Å; M395-W401 HydrophobicContact SD-CZ3 4.24Å; I396-W401 HydrophobicContact CG1-CB 3.97Å; I396-W401 HydrophobicContact CG1-CG 4.15Å; W401-Y403 HydrophobicContact CD2-CD2 4.26Å; W401-Y403 AromaticContact CE2-CD2 3.78Å; W401-Y403 HydrophobicContact CH2-CD2 4.48Å; W401-Y403 AromaticContact CZ2-CD2 3.91Å; W401-Y403 HydrophobicContact CZ2-CD2 3.91Å; W401-Y403 AromaticContact NE1-CD2 3.95Å; W401-Y403 PolarHBondContact NE1-O 3.09Å; W401-Y403 VanDerWaalsContact NE1-O 3.14Å
402N65.7Low62.1Low149 Ų149121.2 Ų121.280%0.79760%0.597SS**  trans-93.8-3-178-71-24.3000114.3A404N402-A404 PolarHBondContact O-N 2.94Å
403Y60.4Low61.7Low101 Ų101125.7 Ų125.740%0.39662%0.621SS.*  trans-82.9107.9-178.7-53.8-83.3000110.9L351 R392 W401 T405L351-Y403 HydrophobicContact CD1-CE1 4.44Å; L351-Y403 HydrophobicContact CD2-CE1 4.38Å; L351-Y403 WeakPolarHBondContact CD2-OH 3.49Å; R392-Y403 PolarHBondContact NH2-O 3.15Å; W401-Y403 HydrophobicContact CD2-CD2 4.26Å; W401-Y403 AromaticContact CE2-CD2 3.78Å; W401-Y403 HydrophobicContact CH2-CD2 4.48Å; W401-Y403 AromaticContact CZ2-CD2 3.91Å; W401-Y403 HydrophobicContact CZ2-CD2 3.91Å; W401-Y403 AromaticContact NE1-CD2 3.95Å; W401-Y403 PolarHBondContact NE1-O 3.09Å; W401-Y403 VanDerWaalsContact NE1-O 3.14Å; Y403-T405 PolarHBondContact O-N 2.8Å
404A55.7Low60.7Low94 Ų94128.1 Ų128.178%0.77763%0.631SS**  trans-72.2110.9161.100000108.8N402N402-A404 PolarHBondContact O-N 2.94Å
405T55.4Low59.5Low77 Ų77127.9 Ų127.947%0.47264%0.638SS.*  trans-81.3126.2166.648.20000108.4R392 Y403R392-T405 PolarHBondContact NH2-OG1 3.09Å; R392-T405 VanDerWaalsContact NH2-OG1 3.12Å; Y403-T405 PolarHBondContact O-N 2.8Å
406R48Very low58.3Low197 Ų197132.7 Ų132.774%0.74366%0.662SS**  trans-86.8119.8162.3-74.6-178.3176.9179.2-1.6106.8Y408R406-Y408 HydrophobicContact CB-CE2 4.21Å; R406-Y408 PolarHBondContact O-N 2.83Å
407N49.1Very low57Low139 Ų139137.1 Ų137.174%0.74368%0.683SS**  trans-73.3107.5168.8-67.9-6.4000106.9
408Y40.3Very low55.4Low144 Ų144134.1 Ų134.157%0.56568%0.676SS**  trans-79.8116.2163-60.6-77.4000105.9R406R406-Y408 HydrophobicContact CB-CE2 4.21Å; R406-Y408 PolarHBondContact O-N 2.83Å
409S40.1Very low53.2Low112 Ų112135 Ų13578%0.78369%0.686SS**  trans-107.6119163.448.90000105.7
410F35.3Very low51.3Low161 Ų161134.6 Ų134.671%0.70668%0.682SS**  trans-83.5115.2168.6-61.7-83.4000106.4Y412F410-Y412 PolarHBondContact O-N 3.18Å
411A34.6Very low49.2Very low104 Ų104134.8 Ų134.886%0.8668%0.68SS**  trans-71.3121.1162.200000106.8
412Y36.2Very low47.3Very low295 Ų295143 Ų143100%1.15773%0.727SS**  trans-84.70166.8-88.2-83.5000110.2F410F410-Y412 PolarHBondContact O-N 3.18Å

Retrieved 412 of 412 residues in 583.8 ms (Link to these results)