A0A096NF34_PAPAN Loading...

Forkhead box N2

AlphaFold DB (A0A2K5XRP3), UniProt , Accession A0A096NF34, Species PAPAN (Papio anubis, Olive baboon), Gene FOXN2, Length 431 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
1M37.1Very low46.6Very low243 Ų243138.1 Ų138.1100%1.19781%0.806SS**  0136.20-62.2-50.2-165.600108.3
2G42.3Very low45.8Very low71 Ų71146.6 Ų146.673%0.73281%0.814SS**  trans-94.6-146173.100000111.2
3P63.7Low45.3Very low116 Ų116142.3 Ų142.375%0.75381%0.809SS**  cis-111.2179.4-0.644.5-33.3000111.1
4V46.5Very low44.4Very low134 Ų134145.3 Ų145.381%0.81281%0.813SS**  cis77.6130.925.3-174.30000115
5I49Very low44.2Very low169 Ų169144.6 Ų144.687%0.86781%0.814SS**  trans123.5130.4179.1-71.2156000110.1
6G44.2Very low44.5Very low64 Ų64143.7 Ų143.766%0.6682%0.816SS**  cis170.2158.1-11.400000115
7M36.4Very low43.8Very low192 Ų192139.2 Ų139.295%0.94681%0.809SS**  trans71.4125150.5-59.4174.267.300122.6
8T48.1Very low43.4Very low133 Ų133137.2 Ų137.282%0.81681%0.811SS**  trans-88.6169.2156.153.40000109.9
9P60.4Low42.9Very low111 Ų111137.3 Ų137.372%0.72180%0.803SS**  -130.7-172.354.837.2-16.2000113
10D39.1Very low42.5Very low115 Ų115138.1 Ų138.162%0.61580%0.796SS**  cis-170.8179.639-137.4-18.1000108.2
11K45.9Very low42.1Very low171 Ų171139.5 Ų139.574%0.74380%0.799SS**  cis-151-122.70.3-161.5145.1-129.81500112.1
12R36.7Very low42Very low240 Ų240132.7 Ų132.791%0.90678%0.781SS**  trans-155.1175.2175.9-55.8-171.6-177.4-170.90.7108.3
13A39.1Very low41.4Very low91 Ų91132.2 Ų132.275%0.75278%0.776SS**  cis-130.2-133.21.800000110.1
14E32.7Very low40.2Very low184 Ų184134.3 Ų134.386%0.8678%0.78SS**  cis-146.2173.48.5-74.8-176.2117.300110.6
15T42.4Very low39.5Very low135 Ų135132.3 Ų132.383%0.82877%0.772SS**  trans-142.2155.5167.657.70000110.2
16P48.8Very low39.1Very low130 Ų130132.1 Ų132.184%0.84477%0.768SS**  -143.6177.9100.336-19.7000112.7
17G32.5Very low38.7Very low68 Ų68135.6 Ų135.670%0.70177%0.77SS**  cis140130.6-7.100000113.1
18A36.2Very low38.8Very low102 Ų102137.7 Ų137.784%0.84377%0.769SS**  trans63.8167.6171.100000117.6
19E34.8Very low38.4Very low140 Ų140139.6 Ų139.665%0.65477%0.766SS**  cis-161.3147.2-41.2-97.6-145.1125.800109.8
20K34.8Very low37.1Very low153 Ų153142 Ų14267%0.66577%0.77SS**  trans56.6156.3141.8-70.2177.1-178134.70124.3
21I33.7Very low36.8Very low168 Ų168140.1 Ų140.186%0.86278%0.777SS**  trans83.7147.2153.4-71.1149000118.1
22A34.2Very low36.2Very low99 Ų99137.7 Ų137.782%0.81878%0.782SS**  trans-109.7169.3-163.600000113.6
23G31.1Very low36.1Very low62 Ų62133.3 Ų133.364%0.63978%0.775SS**  trans151.8152.7157.900000116.4
24L36.7Very low36.6Very low159 Ų159133.9 Ų133.983%0.83277%0.771SS**  trans70132.1179.7-66.676.4000115.5
25S32.7Very low36.4Very low92 Ų92133.5 Ų133.564%0.64377%0.769SS**  cis85.3101.21691.20000118
26Q40Very low36Very low165 Ų165131.9 Ų131.977%0.77177%0.77SS**  -173.1120.1118.9-115.1133.8-0.100110.7
27I36.5Very low35.6Very low138 Ų138132.1 Ų132.171%0.70877%0.769SS**  67.6113.994.4-61.2177.6000115.6
28Y37.3Very low35.6Very low236 Ų236136.6 Ų136.693%0.92578%0.776SS**  trans-135.1164.8131.540.1-93.1000108.7
29K40.1Very low35.6Very low173 Ų173136.5 Ų136.575%0.75278%0.776SS**  trans-141.1159.8-149.2-163-169.6168.6-1770114
30M33.7Very low35.6Very low162 Ų162134.3 Ų134.380%0.79878%0.781SS**  trans88126.9177.7-83.865.5170.900115.2
31G33.5Very low35.8Very low75 Ų75138 Ų13877%0.77379%0.791SS**  cis-168.6175.5-200000116.1
32S33Very low36.1Very low120 Ų120135.9 Ų135.984%0.83979%0.788SS**  trans-38.8163.7173.2-650000117.5
33L34.2Very low36Very low147 Ų147140.9 Ų140.977%0.7779%0.792SS**  cis170.5-178.6-6.8-176.676.1000105.1
34P49.4Very low36.2Very low103 Ų103142.7 Ų142.767%0.66980%0.801SS**  cis-89.8161.7-43.42.521.2000112
35E29Very low36.3Very low176 Ų176140.9 Ų140.982%0.82280%0.796SS**  71.5108.570.3-151.8174.4124.100114.5
36A34.2Very low36.8Very low101 Ų101143.8 Ų143.884%0.83580%0.804SS**  trans-128.7138.9170.600000108.7
37V39.4Very low36.9Very low136 Ų136141.4 Ų141.482%0.82480%0.8SS**  trans-91.7169.8-163.3-62.40000114.4A39V37-A39 PolarHBondContact O-N 2.94Å
38D33.4Very low37.2Very low161 Ų161141.9 Ų141.986%0.86180%0.804SS**  trans-41.4123-177.8-92.1-69.6000115.7A40D38-A40 PolarHBondContact O-N 3.42Å
39A35.1Very low37.3Very low101 Ų101134.8 Ų134.884%0.83579%0.789SS**  trans-79.8102.8165.200000109.6V37V37-A39 PolarHBondContact O-N 2.94Å
40A35.1Very low37.5Very low93 Ų93135.2 Ų135.277%0.76979%0.794SS**PPolyproline II helixtrans-63.6136.8-169.800000114.5D38D38-A40 PolarHBondContact O-N 3.42Å
41R39.3Very low37.9Very low232 Ų232131 Ų13188%0.87578%0.78SS**PPolyproline II helixtrans-59.8127171.4177.3-173.8-176.2-173.63.6111.1K43R41-K43 PolarHBondContact O-N 3.24Å
42P39.8Very low38.8Very low123 Ų123130.1 Ų130.180%0.79977%0.766SS**PPolyproline II helixtrans-63131173.925.6-33000110.6
43K33.3Very low39.8Very low204 Ų204128.2 Ų128.289%0.88775%0.746SS**PPolyproline II helixtrans-90.4120.5-175.4-168.6176.8-178.3-177.80108.9R41 T45R41-K43 PolarHBondContact O-N 3.24Å; K43-T45 PolarHBondContact O-N 2.83Å
44A33.6Very low40.5Very low100 Ų100125.9 Ų125.983%0.82674%0.735SS**PPolyproline II helixtrans-66.3126.8-176.100000111.7L46A44-L46 PolarHBondContact O-N 3.22Å
45T38.8Very low40.7Very low121 Ų121124.3 Ų124.374%0.74272%0.718SS**PPolyproline II helixtrans-71124.1168.5-500000109.1K43 V47K43-T45 PolarHBondContact O-N 2.83Å; T45-V47 PolarHBondContact O-N 3.03Å
46L44.4Very low41.7Very low153 Ų153120.4 Ų120.480%0.80170%0.702SS**  trans-76.289.9173-165.8165.4000108.6A44 D48A44-L46 PolarHBondContact O-N 3.22Å; L46-D48 HydrophobicContact CD2-CB 4.16Å
47V42.6Very low42.7Very low114 Ų114121.1 Ų121.169%0.69170%0.696SS**  trans-88.8108.5158.9-86.70000107.9T45 S49T45-V47 PolarHBondContact O-N 3.03Å; V47-S49 PolarHBondContact O-N 3.12Å
48D42Very low43Very low149 Ų149119.7 Ų119.780%0.79768%0.684SS**  trans-69.8119.3172.7-166.719.3000108.4L46L46-D48 HydrophobicContact CD2-CB 4.16Å
49S39.2Very low44.4Very low86 Ų86117 Ų11760%0.60167%0.669SS**  trans-159.492.3-169.3-78.40000108.5V47 S51V47-S49 PolarHBondContact O-N 3.12Å; S49-S51 PolarHBondContact O-N 2.66Å
50E43.9Very low45.6Very low182 Ų182115.4 Ų115.485%0.8565%0.647SS**  trans-64.185.6-170.1-157.6-170.1132.700112.1A52E50-A52 PolarHBondContact O-N 3.28Å
51S43.3Very low46.8Very low74 Ų74118.1 Ų118.152%0.51764%0.637SS.*  trans-8059.8-169.461.80000113.4S49 D53 D54S49-S51 PolarHBondContact O-N 2.66Å; S51-D53 PolarHBondContact O-N 3.06Å; S51-D54 WeakPolarHBondContact CB-OD2 3.32Å; S51-D54 PolarHBondContact O-N 3.16Å; S51-D54 PolarHBondContact OG-OD2 3.19Å
52A52.6Low47.5Very low57 Ų57110.9 Ų110.947%0.47162%0.616SS.*THydrogen-bonded Turntrans-59.51.1178.400000115.8E50E50-A52 PolarHBondContact O-N 3.28Å
53D52.8Low48.2Very low80 Ų80111.2 Ų111.243%0.42861%0.606SS.*THydrogen-bonded Turntrans-87-16.4169.9-77.5-48.2000113.7S51 E55 L56 K183S51-D53 PolarHBondContact O-N 3.06Å; D53-E55 PolarHBondContact O-N 3.21Å; D53-L56 HydrophobicContact CB-CD1 4.21Å; D53-L56 WeakPolarHBondContact O-CB 3.43Å; D53-L56 WeakPolarHBondContact O-CG 3.31Å; D53-L56 PolarHBondContact O-N 3.32Å; D53-L56 VanDerWaalsContact OD1-CD1 3.3Å; D53-L56 WeakPolarHBondContact OD1-CD1 3.32Å; D53-K183 IonicContact OD2-NZ 2.68Å; D53-K183 PolarHBondContact OD2-NZ 3.13Å
54D49.7Very low49.3Very low98 Ų98105.3 Ų105.352%0.52458%0.582SS.*G310 helixtrans-66.1-19.9179.2-74.2-53.2000112.8S51 L56 T57 N58S51-D54 WeakPolarHBondContact CB-OD2 3.32Å; S51-D54 PolarHBondContact O-N 3.16Å; S51-D54 PolarHBondContact OG-OD2 3.19Å; D54-L56 PolarHBondContact O-N 3.49Å; D54-T57 PolarHBondContact O-OG1 3.46Å; D54-N58 WeakPolarHBondContact O-CB 3.34Å; D54-N58 PolarHBondContact O-N 3Å
55E53.6Low50.2Low69 Ų69102.8 Ų102.832%0.32256%0.558SS.*G310 helixtrans-70.1-5.5168.2-71.6-175.5153.600114.3D53 K157D53-E55 PolarHBondContact O-N 3.21Å; E55-K157 IonicContact OE1-NZ 2.63Å; E55-K157 PolarHBondContact OE1-NZ 2.67Å; E55-K157 WeakPolarHBondContact OE2-CD 3.4Å; E55-K157 WeakPolarHBondContact OE2-CE 3.41Å; E55-K157 IonicContact OE2-NZ 2.62Å; E55-K157 PolarHBondContact OE2-NZ 2.86Å
56L50.4Low51Low94 Ų94100.7 Ų100.749%0.49255%0.545SS..G310 helixtrans-85.3-22.4178.8-61178.9000113.2D53 D54D53-L56 HydrophobicContact CB-CD1 4.21Å; D53-L56 WeakPolarHBondContact O-CB 3.43Å; D53-L56 WeakPolarHBondContact O-CG 3.31Å; D53-L56 PolarHBondContact O-N 3.32Å; D53-L56 VanDerWaalsContact OD1-CD1 3.3Å; D53-L56 WeakPolarHBondContact OD1-CD1 3.32Å; D54-L56 PolarHBondContact O-N 3.49Å
57T55.1Low51.5Low116 Ų11698 Ų9871%0.71253%0.532SS*.THydrogen-bonded Turntrans-107.9-19.6177.950.70000113.2D54 L59D54-T57 PolarHBondContact O-OG1 3.46Å; T57-L59 PolarHBondContact O-N 2.84Å
58N44.2Very low51.9Low106 Ų10697.6 Ų97.657%0.56753%0.525SS*.  trans-72.9124.6-176.1-165.6-37.9000112.7D54 N60D54-N58 WeakPolarHBondContact O-CB 3.34Å; D54-N58 PolarHBondContact O-N 3Å; N58-N60 PolarHBondContact O-N 2.71Å; N58-N60 PolarHBondContact OD1-N 2.77Å
59L63.3Low52.3Low104 Ų10496.5 Ų96.555%0.54552%0.518SS..  trans-78.836.6-177-58.2179.3000113.8T57 W61 L62T57-L59 PolarHBondContact O-N 2.84Å; L59-W61 PolarHBondContact O-N 3.12Å; L59-L62 VanDerWaalsContact O-CB 3.26Å; L59-L62 WeakPolarHBondContact O-CB 3.05Å; L59-L62 PolarHBondContact O-N 2.03Å
60N61.2Low53.2Low68 Ų6896.7 Ų96.736%0.36452%0.516SS..Hα-helixtrans-60.1-23.9-172.1-155.517000113.8N58 L62 H63 E64 T154N58-N60 PolarHBondContact O-N 2.71Å; N58-N60 PolarHBondContact OD1-N 2.77Å; N60-L62 PolarHBondContact O-N 2.62Å; N60-H63 PolarHBondContact O-N 2.81Å; N60-H63 VanDerWaalsContact O-N 3.1Å; N60-E64 PolarHBondContact O-N 3.22Å; N60-T154 PolarHBondContact ND2-OG1 3.25Å; N60-T154 VanDerWaalsContact ND2-OG1 3.08Å
61W60Low53.1Low150 Ų15094.2 Ų94.257%0.56851%0.509SS*.Hα-helixtrans-56.6-29.1171.365.7-93.5000113.3L59 E64 S65L59-W61 PolarHBondContact O-N 3.12Å; W61-E64 PolarHBondContact O-N 3.49Å; W61-S65 PolarHBondContact O-N 2.93Å; W61-S65 VanDerWaalsContact O-N 3.11Å
62L54.6Low53Low81 Ų8199 Ų9942%0.42452%0.521SS..Hα-helixtrans-70.7-37.5178.4-168.267.9000110.9L59 N60 S65 T66L59-L62 VanDerWaalsContact O-CB 3.26Å; L59-L62 WeakPolarHBondContact O-CB 3.05Å; L59-L62 PolarHBondContact O-N 2.03Å; N60-L62 PolarHBondContact O-N 2.62Å; L62-S65 PolarHBondContact O-N 3.36Å; L62-S65 PolarHBondContact O-OG 3.1Å; L62-T66 PolarHBondContact O-N 2.83Å
63H54Low52.3Low129 Ų129101.1 Ų101.160%0.59753%0.532SS*.Hα-helixtrans-69.6-34.1173.8-83.9-123.9000112.5N60 S65 T66 N67N60-H63 PolarHBondContact O-N 2.81Å; N60-H63 VanDerWaalsContact O-N 3.1Å; H63-S65 VanDerWaalsContact C-N 3.33Å; H63-T66 PolarHBondContact O-OG1 2.87Å; H63-T66 VanDerWaalsContact O-OG1 3.06Å; H63-N67 PolarHBondContact O-ND2 2.97Å
64E55.8Low51.9Low80 Ų80104.7 Ų104.737%0.37455%0.55SS.*Hα-helixtrans-63.1-40.3169.7-99.1-177.4129.500111.4N60 W61 T66 N67 L68 P153N60-E64 PolarHBondContact O-N 3.22Å; W61-E64 PolarHBondContact O-N 3.49Å; E64-T66 PolarHBondContact O-N 3.34Å; E64-N67 PolarHBondContact O-N 3.01Å; E64-L68 WeakPolarHBondContact O-CG 3.43Å; E64-L68 PolarHBondContact O-N 3Å; E64-P153 VanDerWaalsContact OE1-CB 3.31Å; E64-P153 WeakPolarHBondContact OE1-CB 3.48Å
65S52.5Low51.2Low48 Ų48103.9 Ų103.934%0.33657%0.565SS.*Hα-helixtrans-64.7-34.2-17778.40000114.4W61 L62 H63W61-S65 PolarHBondContact O-N 2.93Å; W61-S65 VanDerWaalsContact O-N 3.11Å; L62-S65 PolarHBondContact O-N 3.36Å; L62-S65 PolarHBondContact O-OG 3.1Å; H63-S65 VanDerWaalsContact C-N 3.33Å
66T55.3Low50.8Low76 Ų76104.1 Ų104.147%0.46657%0.574SS.*Hα-helixtrans-72.3-40.6177.553.40000112.1L62 H63 E64 L68 L69 T70L62-T66 PolarHBondContact O-N 2.83Å; H63-T66 PolarHBondContact O-OG1 2.87Å; H63-T66 VanDerWaalsContact O-OG1 3.06Å; E64-T66 PolarHBondContact O-N 3.34Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 2.76Å; T66-L69 WeakPolarHBondContact O-CB 3.27Å; T66-L69 PolarHBondContact O-N 3.3Å; T66-T70 PolarHBondContact O-N 3.47Å; T66-T70 PolarHBondContact O-OG1 3.25Å
67N55.3Low50.3Low98 Ų98107.7 Ų107.752%0.52459%0.589SS.*Hα-helixtrans-65-33.6177.6-77.7-85.3000112.6H63 E64 L69 T70 N71H63-N67 PolarHBondContact O-ND2 2.97Å; E64-N67 PolarHBondContact O-N 3.01Å; N67-L69 VanDerWaalsContact C-N 3.33Å; N67-L69 PolarHBondContact O-N 3.44Å; N67-T70 WeakPolarHBondContact O-CB 3.09Å; N67-T70 PolarHBondContact O-N 3.24Å; N67-N71 PolarHBondContact O-N 2.83Å; N67-N71 PolarHBondContact O-ND2 3.06Å
68L51Low49.4Very low105 Ų105105.6 Ų105.655%0.5559%0.59SS.*Hα-helixtrans-63.2-38.1173.9-71.1172.2000112.3E64 T66 N71 F72E64-L68 WeakPolarHBondContact O-CG 3.43Å; E64-L68 PolarHBondContact O-N 3Å; T66-L68 VanDerWaalsContact C-N 3.31Å; T66-L68 PolarHBondContact O-N 2.76Å; L68-N71 PolarHBondContact O-N 3.31Å; L68-F72 WeakPolarHBondContact O-CD2 3.43Å
69L51.7Low49.1Very low125 Ų125108.8 Ų108.865%0.65461%0.606SS**Hα-helixtrans-66.5-37.9174.8-85.1157.6000112.4T66 N67 N71 F72T66-L69 WeakPolarHBondContact O-CB 3.27Å; T66-L69 PolarHBondContact O-N 3.3Å; N67-L69 VanDerWaalsContact C-N 3.33Å; N67-L69 PolarHBondContact O-N 3.44Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 2.83Å; L69-F72 PolarHBondContact O-N 3.15Å
70T56.3Low48Very low91 Ų91109.8 Ų109.856%0.55862%0.619SS**Hα-helixtrans-58-42.1174.8-44.40000111.7T66 N67 F72 S73T66-T70 PolarHBondContact O-N 3.47Å; T66-T70 PolarHBondContact O-OG1 3.25Å; N67-T70 WeakPolarHBondContact O-CB 3.09Å; N67-T70 PolarHBondContact O-N 3.24Å; T70-F72 VanDerWaalsContact C-N 3.28Å; T70-F72 PolarHBondContact O-N 2.75Å; T70-S73 PolarHBondContact O-N 2.99Å
71N42.7Very low46.9Very low130 Ų130114.6 Ų114.670%0.69564%0.643SS**Hα-helixtrans-67.3-22.3-179.9-71.8-33.2000114.4N67 L68 L69N67-N71 PolarHBondContact O-N 2.83Å; N67-N71 PolarHBondContact O-ND2 3.06Å; L68-N71 PolarHBondContact O-N 3.31Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 2.83Å
72F41.1Very low46.4Very low174 Ų174113.9 Ų113.976%0.76366%0.655SS**Hα-helixtrans-81.1-16.5171.6-73-69.9000113.5L68 L69 T70L68-F72 WeakPolarHBondContact O-CD2 3.43Å; L69-F72 PolarHBondContact O-N 3.15Å; T70-F72 VanDerWaalsContact C-N 3.28Å; T70-F72 PolarHBondContact O-N 2.75Å
73S37.9Very low45.5Very low102 Ų102115.2 Ų115.271%0.71367%0.671SS**SBendtrans-94.71.9-168.6-164.70000115T70T70-S73 PolarHBondContact O-N 2.99Å
74L43.6Very low45.6Very low154 Ų154114.8 Ų114.881%0.80668%0.68SS**  trans-124.945.2178.2-159.666.6000111.3
75G36.2Very low44.4Very low81 Ų81117.5 Ų117.584%0.83570%0.696SS**  trans-96.220179.600000114.9
76S45.2Very low44Very low74 Ų74124.3 Ų124.352%0.51772%0.716SS.*  trans-141.7139.4171.7-144.60000104.8
77E39.9Very low43.2Very low170 Ų170127.9 Ų127.979%0.79473%0.732SS**SBendcis-131.8162.330.7-40.2-57.5151.600113.3
78G34.8Very low42.9Very low72 Ų72130.2 Ų130.274%0.74274%0.743SS**  trans83.98714400000119.8
79L38.2Very low42.4Very low172 Ų172134.4 Ų134.490%0.90176%0.759SS**  trans-118.6126.3148.1-73.3179.5000109.8
80P40.9Very low41.7Very low125 Ų125132.1 Ų132.181%0.81277%0.766SS**PPolyproline II helixtrans-76.3154.4169.331.7-33.1000111.6
81I38.5Very low41.2Very low170 Ų170135.4 Ų135.487%0.87278%0.78SS**PPolyproline II helixtrans-80.1146.4-172.8-71.9167.4000112
82V49.8Very low41.1Very low134 Ų134135.9 Ų135.981%0.81278%0.783SS**PPolyproline II helixtrans-73.5127.2177.8-179.80000112
83S34.8Very low41.6Very low110 Ų110133 Ų13377%0.76978%0.779SS**  trans-163.4155.8144.5-85.80000111
84P55.3Low42Very low120 Ų120132.7 Ų132.778%0.77978%0.775SS**  trans-99.8149.5-155.636.8-34.7000114.7
85L31.6Very low42Very low136 Ų136130.7 Ų130.771%0.71277%0.774SS**  trans-134141.1143.9-155.873.6000108.8
86Y43.7Very low42.3Very low192 Ų192135.7 Ų135.775%0.75377%0.773SS**  trans-85.9135.7167.239.1-89.1000107.7
87D38.2Very low42.1Very low151 Ų151134.7 Ų134.781%0.80778%0.775SS**  trans-147.6157156.1-106.7-40.7000108.9
88I49.5Very low42.5Very low146 Ų146133.4 Ų133.475%0.74978%0.781SS**  trans-126.9164.8-161.7-71.8173000109.6
89E40.9Very low42.8Very low193 Ų193134.4 Ų134.490%0.90278%0.782SS**  trans75.4138.5177-80.3157.3-150.900116.9
90G36.6Very low42.4Very low77 Ų77130.4 Ų130.479%0.79477%0.767SS**  trans146.882.1-173.900000112.4
91D44.8Very low42.4Very low161 Ų161135.8 Ų135.886%0.86177%0.773SS**  trans-60.6132.3167.8-105-62.5000111.2
92D42.3Very low42.6Very low140 Ų140134 Ų13475%0.74976%0.761SS**  -160.8145.4127.6-149.1-67.1000110.3
93V50.6Low42.1Very low113 Ų113130.5 Ų130.569%0.68574%0.738SS**  trans-128.194-179.3-179.90000110.5S95V93-S95 PolarHBondContact O-N 3.43Å
94P45.7Very low42.5Very low96 Ų96130.7 Ų130.762%0.62374%0.735SS**  trans-75.588.3169.2-12.228.8000109.9F96P94-F96 HydrophobicContact CB-CD2 3.98Å; P94-F96 HydrophobicContact CB-CE2 3.89Å; P94-F96 PolarHBondContact O-N 3.45Å
95S45.3Very low42.1Very low112 Ų112131.8 Ų131.878%0.78373%0.729SS**  trans-68.297.3174.7-169.40000110.9V93V93-S95 PolarHBondContact O-N 3.43Å
96F41.1Very low42.8Very low185 Ų185132.6 Ų132.681%0.81173%0.727SS**  trans-104.5129.8169.3-78.2-83.6000110.2P94P94-F96 HydrophobicContact CB-CD2 3.98Å; P94-F96 HydrophobicContact CB-CE2 3.89Å; P94-F96 PolarHBondContact O-N 3.45Å
97G41Very low43.1Very low54 Ų54130.3 Ų130.356%0.55772%0.721SS**  trans-68.1179-158.600000117.1A99G97-A99 PolarHBondContact O-N 3.21Å
98P49Very low43.9Very low143 Ų143126.6 Ų126.693%0.92971%0.707SS**  trans-73.266.4-174.131.9-37.1000112.8C100P98-C100 PolarHBondContact O-N 3.18Å
99A40.3Very low44.4Very low93 Ų93122.4 Ų122.477%0.76969%0.694SS**  trans-84.888.9-17500000112.2G97G97-A99 PolarHBondContact O-N 3.21Å
100C31.4Very low46Very low87 Ų87117.3 Ų117.359%0.58868%0.676SS**  trans65.7116163.9-164.50000117.3P98 Q102P98-C100 PolarHBondContact O-N 3.18Å; C100-Q102 HydrophobicContact CB-CG 4.23Å; C100-Q102 PolarHBondContact O-N 3.3Å
101Y39.8Very low48.4Very low238 Ų238116.7 Ų116.793%0.93366%0.66SS**  trans-6484.8153.4-71.3-89.1000109.5N103Y101-N103 VanDerWaalsContact C-N 3.27Å; Y101-N103 PolarHBondContact O-N 3.01Å
102Q42.4Very low50.5Low134 Ų134116 Ų11663%0.62665%0.649SS**  trans-69.187.2175.1-80.4-691.500110.3C100 T104C100-Q102 HydrophobicContact CB-CG 4.23Å; C100-Q102 PolarHBondContact O-N 3.3Å; Q102-T104 PolarHBondContact O-N 3.47Å
103N38.9Very low52.9Low60 Ų60110 Ų11032%0.32162%0.618SS.*  trans-22.2112174.5177.9-68.3000112.8Y101 E105 K106Y101-N103 VanDerWaalsContact C-N 3.27Å; Y101-N103 PolarHBondContact O-N 3.01Å; N103-E105 VanDerWaalsContact C-N 3.28Å; N103-E105 PolarHBondContact ND2-OE2 3.14Å; N103-E105 PolarHBondContact O-N 3.06Å; N103-E105 WeakPolarHBondContact OD1-CA 3.07Å; N103-E105 VanDerWaalsContact OD1-CB 3.25Å; N103-E105 WeakPolarHBondContact OD1-CB 3.36Å; N103-E105 PolarHBondContact OD1-N 3.2Å; N103-K106 PolarHBondContact OD1-N 3.25Å
104T43.7Very low54.9Low114 Ų114107.4 Ų107.470%0.69960%0.603SS**THydrogen-bonded Turntrans-72.1-21.5-177.841.10000113Q102 K106 K107Q102-T104 PolarHBondContact O-N 3.47Å; T104-K106 VanDerWaalsContact C-N 3.3Å; T104-K106 PolarHBondContact O-N 3.04Å; T104-K107 PolarHBondContact O-N 3.23Å
105E46.4Very low57.2Low142 Ų142105.4 Ų105.466%0.66458%0.584SS**Hα-helixtrans-67.2-30.3-179.6-43.7171121.200111.8N103 K107 S108N103-E105 VanDerWaalsContact C-N 3.28Å; N103-E105 PolarHBondContact ND2-OE2 3.14Å; N103-E105 PolarHBondContact O-N 3.06Å; N103-E105 WeakPolarHBondContact OD1-CA 3.07Å; N103-E105 VanDerWaalsContact OD1-CB 3.25Å; N103-E105 WeakPolarHBondContact OD1-CB 3.36Å; N103-E105 PolarHBondContact OD1-N 3.2Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 2.92Å; E105-S108 PolarHBondContact O-OG 3Å
106K46.8Very low59.7Low153 Ų153103.1 Ų103.167%0.66557%0.568SS**Hα-helixtrans-71.8-22.4176.6-72.1-178.7-178.6-175.20114N103 T104N103-K106 PolarHBondContact OD1-N 3.25Å; T104-K106 VanDerWaalsContact C-N 3.3Å; T104-K106 PolarHBondContact O-N 3.04Å
107K49.5Very low62.4Low144 Ų14496.6 Ų96.663%0.62654%0.539SS*.Hα-helixtrans-81.6-18.8-177.8-68-179.5-179.9174.40113.6T104 E105T104-K107 PolarHBondContact O-N 3.23Å; E105-K107 VanDerWaalsContact C-N 3.33Å; E105-K107 PolarHBondContact O-N 2.92Å
108S56Low65.1Low74 Ų7494.8 Ų94.852%0.51752%0.518SS..Hα-helixtrans-81.2-35.6174.757.10000112.2E105 T110 S111E105-S108 PolarHBondContact O-OG 3Å; S108-T110 PolarHBondContact O-N 3.22Å; S108-S111 VanDerWaalsContact O-CB 3.32Å; S108-S111 WeakPolarHBondContact O-CB 3.33Å; S108-S111 PolarHBondContact O-N 3.45Å; S108-S111 PolarHBondContact O-OG 2.92Å
109A60.7Low67.4Low57 Ų5788.2 Ų88.247%0.47148%0.475SS..Hα-helixtrans-62.6-26.8-179.500000114.3
110T74.4Confident70.2Confident87 Ų8783.8 Ų83.853%0.53444%0.439SS..THydrogen-bonded Turntrans-95.26.617560.90000113.3S108 Y148S108-T110 PolarHBondContact O-N 3.22Å; T110-Y148 WeakPolarHBondContact O-CD2 3.44Å
111S85.8Confident73.4Confident63 Ų6379.7 Ų79.744%0.44141%0.411SS..SBendtrans-85.8154.7176.875.70000111.5S108 P113 Y148S108-S111 VanDerWaalsContact O-CB 3.32Å; S108-S111 WeakPolarHBondContact O-CB 3.33Å; S108-S111 PolarHBondContact O-N 3.45Å; S108-S111 PolarHBondContact O-OG 2.92Å; S111-P113 WeakPolarHBondContact O-CD 3.23Å; S111-Y148 WeakPolarHBondContact O-CB 3.31Å
112K89.6Confident76.1Confident146 Ų14669 Ų6964%0.63537%0.369SS*.PPolyproline II helixtrans-61.2120.8178.6-177.9176.5178.9178.40109.7Y148K112-Y148 HydrophobicContact CB-CD1 4.31Å; K112-Y148 HydrophobicContact CB-CD2 4.19Å; K112-Y148 HydrophobicContact CB-CE1 3.93Å; K112-Y148 HydrophobicContact CB-CE2 3.8Å; K112-Y148 HydrophobicContact CB-CG 4.43Å; K112-Y148 HydrophobicContact CD-CE1 4.4Å; K112-Y148 HydrophobicContact CG-CD1 4.34Å; K112-Y148 HydrophobicContact CG-CE1 3.76Å; K112-Y148 HydrophobicContact CG-CE2 4.48Å
113P91.7Very high78.8Confident14 Ų1463.5 Ų63.59%0.09134%0.343CS..PPolyproline II helixtrans-66.8148-173.524.7-33.4000112.3S111 Y115 F146 F149S111-P113 WeakPolarHBondContact O-CD 3.23Å; P113-Y115 HydrophobicContact CB-CD2 4.06Å; P113-Y115 PolarHBondContact O-N 3.24Å; P113-F146 HydrophobicContact CB-CD1 3.56Å; P113-F146 HydrophobicContact CB-CE1 3.87Å; P113-F146 HydrophobicContact CB-CG 4.26Å; P113-F146 HydrophobicContact CG-CB 4.19Å; P113-F146 HydrophobicContact CG-CD1 3.87Å; P113-F146 HydrophobicContact CG-CG 4.08Å; P113-F149 HydrophobicContact CG-CE2 3.6Å; P113-F149 HydrophobicContact CG-CZ 4.09Å
114P92.9Very high81.6Confident59 Ų5960.6 Ų60.638%0.38333%0.328SS..SBendtrans-78.645.8-179.335.3-37.9000112.2Q204 F206P114-Q204 PolarHBondContact O-OE1 3.3Å; P114-F206 HydrophobicContact CB-CD2 4.26Å; P114-F206 HydrophobicContact CG-CD2 4.02Å
115Y95.4Very high84.2Confident54 Ų5455.2 Ų55.221%0.21230%0.295CS..  trans-131.1134.2-179-60.7-57.6000110.2P113 L119 L120 M123 F146 L201 Q204P113-Y115 HydrophobicContact CB-CD2 4.06Å; P113-Y115 PolarHBondContact O-N 3.24Å; Y115-L119 HydrophobicContact CD1-CB 4.41Å; Y115-L119 HydrophobicContact CD1-CD1 4.13Å; Y115-L120 HydrophobicContact CD2-CD2 4.28Å; Y115-L120 HydrophobicContact CG-CD2 4.46Å; Y115-M123 HydrophobicContact CD1-CE 4.26Å; Y115-M123 HydrophobicContact CD2-CE 3.83Å; Y115-M123 HydrophobicContact CE2-CE 4.17Å; Y115-M123 HydrophobicContact CG-CE 3.89Å; Y115-F146 AromaticContact CD2-CE1 3.74Å; Y115-F146 HydrophobicContact CD2-CE1 3.74Å; Y115-F146 AromaticContact CD2-CZ 3.63Å; Y115-F146 HydrophobicContact CD2-CZ 3.63Å; Y115-F146 AromaticContact CE2-CE1 3.71Å; Y115-F146 HydrophobicContact CE2-CE1 3.71Å; Y115-F146 AromaticContact CE2-CZ 3.69Å; Y115-F146 HydrophobicContact CE2-CZ 3.69Å; Y115-L201 HydrophobicContact CD1-CD1 4.11Å; Y115-L201 HydrophobicContact CE1-CD1 3.78Å; Y115-Q204 HydrophobicContact CD1-CG 4.03Å; Y115-Q204 HydrophobicContact CE1-CB 4.23Å; Y115-Q204 HydrophobicContact CE1-CG 3.96Å
116S96.6Very high86.6Confident64 Ų6450.4 Ų50.445%0.44827%0.272SS..  trans-70.1158.9168.865.10000110.5S118 L119 L120S116-S118 PolarHBondContact O-N 2.79Å; S116-L119 WeakPolarHBondContact O-CA 3.37Å; S116-L119 PolarHBondContact O-N 3.03Å; S116-L119 PolarHBondContact OG-N 3.02Å; S116-L120 PolarHBondContact O-N 3.36Å
117F97.8Very high89Confident48 Ų4849.2 Ų49.221%0.21127%0.269CS..Hα-helixtrans-55.6-35.3176-70.4-68.6000112.4L119 L120 I121 F149 W156 V160 N163F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 3.41Å; F117-L120 HydrophobicContact CD1-CD1 4.07Å; F117-L120 HydrophobicContact CE1-CD1 4.46Å; F117-L120 PolarHBondContact O-N 3.45Å; F117-I121 WeakPolarHBondContact O-CB 3.38Å; F117-I121 WeakPolarHBondContact O-CD1 3.48Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 3.02Å; F117-F149 AromaticContact CE1-CE1 4Å; F117-F149 HydrophobicContact CE1-CE1 4Å; F117-F149 HydrophobicContact CE1-CZ 4.26Å; F117-F149 HydrophobicContact CZ-CE1 4.38Å; F117-W156 HydrophobicContact CE1-CB 4.26Å; F117-W156 HydrophobicContact CZ-CB 4.18Å; F117-V160 HydrophobicContact CD1-CG2 3.7Å; F117-V160 HydrophobicContact CE1-CG2 4.13Å; F117-N163 HydrophobicContact CB-CB 4.18Å
118S97.9Very high91.2Very high17 Ų1742.7 Ų42.712%0.11924%0.241CC..Hα-helixtrans-61.8-36.7172.9-410000113.1S116 Y122 N163 N167 F170S116-S118 PolarHBondContact O-N 2.79Å; S118-Y122 WeakPolarHBondContact O-CB 3.41Å; S118-Y122 PolarHBondContact O-N 2.93Å; S118-N163 PolarHBondContact OG-OD1 2.82Å; S118-N167 PolarHBondContact OG-ND2 3.46Å; S118-F170 WeakPolarHBondContact O-CZ 3.21Å
119L97.8Very high93.1Very high4 Ų445 Ų452%0.02126%0.255CS..Hα-helixtrans-73.8-38.5174.4-69.1-178.3000112.1Y115 S116 F117 Y122 M123 L197 A200 L201 Q204Y115-L119 HydrophobicContact CD1-CB 4.41Å; Y115-L119 HydrophobicContact CD1-CD1 4.13Å; S116-L119 WeakPolarHBondContact O-CA 3.37Å; S116-L119 PolarHBondContact O-N 3.03Å; S116-L119 PolarHBondContact OG-N 3.02Å; F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 3.41Å; L119-Y122 PolarHBondContact O-N 3.1Å; L119-M123 WeakPolarHBondContact O-CG 3.49Å; L119-M123 PolarHBondContact O-N 2.86Å; L119-L197 HydrophobicContact CD2-CD2 4.44Å; L119-A200 HydrophobicContact CD2-CB 4.05Å; L119-L201 HydrophobicContact CD1-CD1 4.45Å; L119-L201 HydrophobicContact CD2-CB 4.13Å; L119-L201 HydrophobicContact CD2-CD1 4.44Å; L119-Q204 HydrophobicContact CD1-CG 3.9Å
120L97.9Very high94.6Very high1 Ų148.5 Ų48.51%0.00527%0.266CS..Hα-helixtrans-61.4-48.1174.9-66.1173000111.7Y115 S116 F117 M123 A124 I142 F146 F149Y115-L120 HydrophobicContact CD2-CD2 4.28Å; Y115-L120 HydrophobicContact CG-CD2 4.46Å; S116-L120 PolarHBondContact O-N 3.36Å; F117-L120 HydrophobicContact CD1-CD1 4.07Å; F117-L120 HydrophobicContact CE1-CD1 4.46Å; F117-L120 PolarHBondContact O-N 3.45Å; L120-M123 HydrophobicContact CD2-CE 4.01Å; L120-M123 PolarHBondContact O-N 2.93Å; L120-A124 PolarHBondContact O-N 3.37Å; L120-I142 HydrophobicContact CB-CD1 3.94Å; L120-I142 HydrophobicContact CB-CG1 4.2Å; L120-F146 HydrophobicContact CD2-CD2 3.61Å; L120-F146 HydrophobicContact CD2-CE2 3.41Å; L120-F146 VanDerWaalsContact CD2-CE2 3.41Å; L120-F146 HydrophobicContact CD2-CG 4.34Å; L120-F146 HydrophobicContact CD2-CZ 4Å; L120-F149 HydrophobicContact CD1-CE2 3.66Å; L120-F149 HydrophobicContact CD1-CZ 3.58Å
121I98.4Very high95.7Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-61.8-45.1175.3-66.6161000110.7F117 M123 A124 I125 I138 V160 N163 L164 F170F117-I121 WeakPolarHBondContact O-CB 3.38Å; F117-I121 WeakPolarHBondContact O-CD1 3.48Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-I121 PolarHBondContact O-N 3.02Å; I121-M123 PolarHBondContact O-N 3.14Å; I121-A124 PolarHBondContact O-N 2.99Å; I121-I125 HydrophobicContact CG2-CD1 3.67Å; I121-I125 HydrophobicContact CG2-CG1 4.39Å; I121-I125 WeakPolarHBondContact O-CG1 2.95Å; I121-I125 PolarHBondContact O-N 2.82Å; I121-I138 HydrophobicContact CG1-CG2 4.15Å; I121-V160 HydrophobicContact CD1-CG1 4.22Å; I121-V160 HydrophobicContact CG1-CG1 4.17Å; I121-N163 HydrophobicContact CD1-CB 3.74Å; I121-L164 HydrophobicContact CD1-CD2 4.17Å; I121-L164 HydrophobicContact CD1-CG 4.05Å; I121-L164 HydrophobicContact CG2-CD2 3.59Å; I121-F170 HydrophobicContact CB-CE1 4.13Å; I121-F170 HydrophobicContact CB-CE2 4.24Å; I121-F170 HydrophobicContact CB-CZ 3.82Å; I121-F170 HydrophobicContact CD1-CE2 4.21Å; I121-F170 HydrophobicContact CG2-CD1 3.73Å; I121-F170 HydrophobicContact CG2-CD2 4.22Å; I121-F170 HydrophobicContact CG2-CE1 3.44Å; I121-F170 VanDerWaalsContact CG2-CE1 3.44Å; I121-F170 HydrophobicContact CG2-CE2 3.97Å; I121-F170 HydrophobicContact CG2-CG 4.13Å; I121-F170 HydrophobicContact CG2-CZ 3.59Å
122Y98.3Very high96.1Very high13 Ų1347.3 Ų47.35%0.05125%0.249CC..Hα-helixtrans-57-48.3176.8172-106.6000111.5S118 L119 I125 E126 V189 K194 L197 I198 L201S118-Y122 WeakPolarHBondContact O-CB 3.41Å; S118-Y122 PolarHBondContact O-N 2.93Å; L119-Y122 PolarHBondContact O-N 3.1Å; Y122-I125 PolarHBondContact O-N 3.23Å; Y122-E126 HydrophobicContact CE2-CB 4.35Å; Y122-E126 VanDerWaalsContact O-CB 3.23Å; Y122-E126 WeakPolarHBondContact O-CB 3.4Å; Y122-E126 PolarHBondContact O-N 2.98Å; Y122-V189 HydrophobicContact CD2-CG1 4.1Å; Y122-V189 HydrophobicContact CD2-CG2 3.74Å; Y122-V189 HydrophobicContact CE2-CG1 4.3Å; Y122-V189 HydrophobicContact CE2-CG2 4.28Å; Y122-K194 HydrophobicContact CE2-CG 4.21Å; Y122-L197 HydrophobicContact CD1-CB 4.32Å; Y122-L197 HydrophobicContact CD2-CB 3.9Å; Y122-L197 HydrophobicContact CD2-CD1 3.65Å; Y122-L197 HydrophobicContact CD2-CG 4.39Å; Y122-L197 HydrophobicContact CE2-CB 4.3Å; Y122-L197 HydrophobicContact CE2-CD1 4.49Å; Y122-L197 HydrophobicContact CG-CB 3.93Å; Y122-L197 HydrophobicContact CG-CD1 4.05Å; Y122-L197 HydrophobicContact CG-CG 4.47Å; Y122-I198 HydrophobicContact CE1-CG1 4.35Å; Y122-I198 WeakPolarHBondContact OH-CG1 3.35Å; Y122-L201 HydrophobicContact CD1-CD2 4.42Å; Y122-L201 HydrophobicContact CE1-CD2 4.17Å
123M98Very high96.4Very high19 Ų1941.7 Ų41.79%0.09423%0.225CC..Hα-helixtrans-64.3-43.1179.2-68.7-176.8-65.200112Y115 L119 L120 I121 I125 E126 H127 W141 F146 L201Y115-M123 HydrophobicContact CD1-CE 4.26Å; Y115-M123 HydrophobicContact CD2-CE 3.83Å; Y115-M123 HydrophobicContact CE2-CE 4.17Å; Y115-M123 HydrophobicContact CG-CE 3.89Å; L119-M123 WeakPolarHBondContact O-CG 3.49Å; L119-M123 PolarHBondContact O-N 2.86Å; L120-M123 HydrophobicContact CD2-CE 4.01Å; L120-M123 PolarHBondContact O-N 2.93Å; I121-M123 PolarHBondContact O-N 3.14Å; M123-I125 PolarHBondContact O-N 2.97Å; M123-E126 PolarHBondContact O-N 3.28Å; M123-H127 PolarHBondContact O-N 3.42Å; M123-H127 PolarHBondContact O-ND1 2.93Å; M123-W141 HydrophobicContact CB-CH2 3.35Å; M123-W141 HydrophobicContact CB-CZ2 3.98Å; M123-W141 HydrophobicContact CB-CZ3 3.86Å; M123-W141 HydrophobicContact CE-CH2 4.39Å; M123-W141 HydrophobicContact CG-CH2 4.46Å; M123-F146 HydrophobicContact CE-CE2 4.06Å; M123-F146 HydrophobicContact CE-CZ 3.93Å; M123-L201 HydrophobicContact CG-CD1 4.36Å; M123-L201 HydrophobicContact CG-CD2 4.26Å; M123-L201 HydrophobicContact SD-CD1 3.81Å; M123-L201 HydrophobicContact SD-CD2 4.41Å
124A98.3Very high96.6Very high0 Ų042.3 Ų42.30%023%0.229CC..Hα-helixtrans-57.2-50.117600000112L120 I121 E126 H127 S128 L133 I138 W141L120-A124 PolarHBondContact O-N 3.37Å; I121-A124 PolarHBondContact O-N 2.99Å; A124-E126 PolarHBondContact O-N 3.17Å; A124-H127 PolarHBondContact O-N 3.45Å; A124-S128 PolarHBondContact O-N 3.27Å; A124-L133 HydrophobicContact CB-CD1 4.15Å; A124-L133 WeakPolarHBondContact O-CD1 3.45Å; A124-I138 HydrophobicContact CB-CG2 4.26Å; A124-W141 VanDerWaalsContact CA-CD2 3.46Å; A124-W141 HydrophobicContact CB-CB 4.03Å; A124-W141 HydrophobicContact CB-CD2 3.64Å; A124-W141 HydrophobicContact CB-CE3 3.53Å; A124-W141 HydrophobicContact CB-CG 3.83Å; A124-W141 HydrophobicContact CB-CZ3 4.31Å
125I98Very high96.8Very high0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-67-38.3-179.8-62.9172.2000110.8I121 Y122 M123 H127 S128 K131 I138 F170 W187 V189I121-I125 HydrophobicContact CG2-CD1 3.67Å; I121-I125 HydrophobicContact CG2-CG1 4.39Å; I121-I125 WeakPolarHBondContact O-CG1 2.95Å; I121-I125 PolarHBondContact O-N 2.82Å; Y122-I125 PolarHBondContact O-N 3.23Å; M123-I125 PolarHBondContact O-N 2.97Å; I125-H127 PolarHBondContact O-N 2.95Å; I125-S128 WeakPolarHBondContact O-CB 3.4Å; I125-S128 PolarHBondContact O-N 2.92Å; I125-S128 PolarHBondContact O-OG 3.47Å; I125-K131 WeakPolarHBondContact CG2-O 3.42Å; I125-I138 HydrophobicContact CD1-CD1 4.34Å; I125-I138 HydrophobicContact CG1-CD1 4.28Å; I125-F170 HydrophobicContact CD1-CD1 4.11Å; I125-W187 HydrophobicContact CD1-CB 4.37Å; I125-V189 HydrophobicContact CB-CG2 4.03Å; I125-V189 HydrophobicContact CD1-CG2 4.28Å; I125-V189 HydrophobicContact CG2-CG2 3.83Å
126E97.5Very high96.8Very high42 Ų4245.2 Ų45.220%0.19624%0.24CC..Hα-helixtrans-69-32-179.8-164.861.4-142.300113.2Y122 M123 A124 S128 K131 K194Y122-E126 HydrophobicContact CE2-CB 4.35Å; Y122-E126 VanDerWaalsContact O-CB 3.23Å; Y122-E126 WeakPolarHBondContact O-CB 3.4Å; Y122-E126 PolarHBondContact O-N 2.98Å; M123-E126 PolarHBondContact O-N 3.28Å; A124-E126 PolarHBondContact O-N 3.17Å; E126-S128 VanDerWaalsContact C-N 3.31Å; E126-K131 PolarHBondContact O-NZ 3.06Å; E126-K131 IonicContact OE1-NZ 2.77Å; E126-K131 PolarHBondContact OE1-NZ 2.93Å; E126-K194 IonicContact OE1-NZ 2.76Å; E126-K194 PolarHBondContact OE1-NZ 3.44Å; E126-K194 VanDerWaalsContact OE2-CE 3.31Å; E126-K194 WeakPolarHBondContact OE2-CE 3.03Å; E126-K194 IonicContact OE2-NZ 2.84Å; E126-K194 PolarHBondContact OE2-NZ 3.13Å
127H97.1Very high96.8Very high127 Ų12746.3 Ų46.359%0.58824%0.238SC*.Hα-helixtrans-77.5-15.3173.8-69.991.4000113.2M123 A124 I125 W141M123-H127 PolarHBondContact O-N 3.42Å; M123-H127 PolarHBondContact O-ND1 2.93Å; A124-H127 PolarHBondContact O-N 3.45Å; I125-H127 PolarHBondContact O-N 2.95Å; H127-W141 AromaticContact CE1-CZ2 3.97Å; H127-W141 AromaticContact ND1-CZ2 3.5Å
128S96.3Very high96.8Very high8 Ų844 Ų446%0.05623%0.228CC..SBendtrans-69.8141.4175.3790000112.1A124 I125 E126 N130 K131 C132 L133A124-S128 PolarHBondContact O-N 3.27Å; I125-S128 WeakPolarHBondContact O-CB 3.4Å; I125-S128 PolarHBondContact O-N 2.92Å; I125-S128 PolarHBondContact O-OG 3.47Å; E126-S128 VanDerWaalsContact C-N 3.31Å; S128-N130 VanDerWaalsContact C-N 3.25Å; S128-N130 PolarHBondContact O-N 3Å; S128-K131 PolarHBondContact O-N 3.29Å; S128-K131 VanDerWaalsContact OG-CA 3.32Å; S128-K131 WeakPolarHBondContact OG-CA 3.19Å; S128-K131 PolarHBondContact OG-N 3.44Å; S128-K131 VanDerWaalsContact OG-N 3.16Å; S128-C132 PolarHBondContact OG-N 3.16Å; S128-L133 VanDerWaalsContact CB-CD2 3.49Å
129P94.1Very high96.8Very high122 Ų12245.1 Ų45.179%0.79223%0.23SC*.THydrogen-bonded Turntrans-64.4-31.4-177.825.3-34.5000112.6
130N93.5Very high96.8Very high131 Ų13146.7 Ų46.770%0.70124%0.241SC*.THydrogen-bonded Turntrans-91.70.9-178.8-60.2-45.9000113.6S128 C132S128-N130 VanDerWaalsContact C-N 3.25Å; S128-N130 PolarHBondContact O-N 3Å; N130-C132 PolarHBondContact O-N 3.34Å; N130-C132 VanDerWaalsContact O-N 3.13Å
131K96.5Very high96.8Very high94 Ų9448 Ų4841%0.40925%0.246SC..SBendtrans52.230-171.8-52.2-63.5174.9168.90113.7I125 E126 S128I125-K131 WeakPolarHBondContact CG2-O 3.42Å; E126-K131 PolarHBondContact O-NZ 3.06Å; E126-K131 IonicContact OE1-NZ 2.77Å; E126-K131 PolarHBondContact OE1-NZ 2.93Å; S128-K131 PolarHBondContact O-N 3.29Å; S128-K131 VanDerWaalsContact OG-CA 3.32Å; S128-K131 WeakPolarHBondContact OG-CA 3.19Å; S128-K131 PolarHBondContact OG-N 3.44Å; S128-K131 VanDerWaalsContact OG-N 3.16Å
132C95.6Very high96.7Very high31 Ų3148 Ų4821%0.20925%0.246CC..EExtended strand (participates in β ladder)trans-154.8132.7-176.3-67.60000109.7S128 N130 W187 C188S128-C132 PolarHBondContact OG-N 3.16Å; N130-C132 PolarHBondContact O-N 3.34Å; N130-C132 VanDerWaalsContact O-N 3.13Å; C132-W187 CarbonylContact C-O 3.45Å; C132-W187 VanDerWaalsContact CA-O 3.27Å; C132-W187 WeakPolarHBondContact CA-O 3.45Å; C132-C188 HydrophobicContact CB-CB 4.15Å; C132-C188 WeakPolarHBondContact CB-SG 3.2Å; C132-C188 WeakPolarHBondContact SG-CB 3.43Å; C132-C188 CovalentContact SG-SG 2.03Å; C132-C188 PolarHBondContact SG-SG 3.26Å
133L95.9Very high96.6Very high27 Ų2750.2 Ų50.214%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-135.1146177.2-71.4180000111.7A124 S128 E137 I138 W187A124-L133 HydrophobicContact CB-CD1 4.15Å; A124-L133 WeakPolarHBondContact O-CD1 3.45Å; S128-L133 VanDerWaalsContact CB-CD2 3.49Å; L133-E137 HydrophobicContact CB-CB 4.35Å; L133-E137 HydrophobicContact CD1-CB 4.25Å; L133-E137 HydrophobicContact CD2-CB 3.93Å; L133-E137 HydrophobicContact CD2-CG 4.42Å; L133-E137 HydrophobicContact CG-CB 4.41Å; L133-I138 HydrophobicContact CB-CD1 4.29Å; L133-I138 HydrophobicContact CB-CG1 3.81Å; L133-I138 HydrophobicContact CD1-CG1 4.09Å; L133-W187 PolarHBondContact N-O 3Å; L133-W187 PolarHBondContact O-N 3.32Å
134P95.9Very high96.5Very high27 Ų2755.1 Ų55.118%0.17529%0.285CS..EExtended strand (participates in β ladder)trans-76.1161.6163.834.9-31.6000110K136 E137 I138 L186P134-K136 VanDerWaalsContact C-N 3.26Å; P134-K136 PolarHBondContact O-N 3.35Å; P134-K136 VanDerWaalsContact O-N 3.14Å; P134-E137 HydrophobicContact CG-CG 3.85Å; P134-E137 PolarHBondContact O-N 3.34Å; P134-I138 PolarHBondContact O-N 3.4Å; P134-L186 HydrophobicContact CB-CD2 4.15Å; P134-L186 HydrophobicContact CG-CD2 4.26Å
135V96.2Very high96.4Very high37 Ų3759.6 Ų59.622%0.22431%0.306CS..Hα-helixtrans-58.7-33.4-169.8-167.10000113.4I138 Y139 R161 L164V135-I138 PolarHBondContact O-N 3.36Å; V135-Y139 HydrophobicContact CG1-CE1 3.84Å; V135-Y139 HydrophobicContact CG1-CE2 4.11Å; V135-Y139 PolarHBondContact O-N 3.03Å; V135-R161 HydrophobicContact CG1-CG 4.26Å; V135-L164 HydrophobicContact CG1-CD1 4.11Å; V135-L164 HydrophobicContact CG2-CD1 4.06Å
136K95.6Very high96.3Very high137 Ų13761.4 Ų61.460%0.59631%0.314SS*.Hα-helixtrans-58.9-48.9178.2-173.5175179.5175.20112.1P134 I138 Y139 S140P134-K136 VanDerWaalsContact C-N 3.26Å; P134-K136 PolarHBondContact O-N 3.35Å; P134-K136 VanDerWaalsContact O-N 3.14Å; K136-I138 PolarHBondContact O-N 3.5Å; K136-Y139 WeakPolarHBondContact O-CA 3.39Å; K136-Y139 WeakPolarHBondContact O-CB 3.38Å; K136-Y139 PolarHBondContact O-N 2.85Å; K136-S140 PolarHBondContact O-N 2.89Å; K136-S140 PolarHBondContact O-OG 2.95Å
137E96.8Very high96.1Very high88 Ų8862.5 Ų62.541%0.41133%0.325SS..Hα-helixtrans-66.7-26.8-179.4-53-46.7118.700112.7L133 P134 Y139 S140 W141L133-E137 HydrophobicContact CB-CB 4.35Å; L133-E137 HydrophobicContact CD1-CB 4.25Å; L133-E137 HydrophobicContact CD2-CB 3.93Å; L133-E137 HydrophobicContact CD2-CG 4.42Å; L133-E137 HydrophobicContact CG-CB 4.41Å; P134-E137 HydrophobicContact CG-CG 3.85Å; P134-E137 PolarHBondContact O-N 3.34Å; E137-Y139 VanDerWaalsContact C-N 3.34Å; E137-S140 PolarHBondContact O-N 3.27Å; E137-W141 WeakPolarHBondContact O-CB 3.43Å; E137-W141 PolarHBondContact O-N 3.38Å
138I97.9Very high96Very high0 Ų059.1 Ų59.10%031%0.307CS..Hα-helixtrans-68.3-36.2172.6-59.1173.5000110.3I121 A124 I125 L133 P134 V135 K136 I142 V160 L164 W187I121-I138 HydrophobicContact CG1-CG2 4.15Å; A124-I138 HydrophobicContact CB-CG2 4.26Å; I125-I138 HydrophobicContact CD1-CD1 4.34Å; I125-I138 HydrophobicContact CG1-CD1 4.28Å; L133-I138 HydrophobicContact CB-CD1 4.29Å; L133-I138 HydrophobicContact CB-CG1 3.81Å; L133-I138 HydrophobicContact CD1-CG1 4.09Å; P134-I138 PolarHBondContact O-N 3.4Å; V135-I138 PolarHBondContact O-N 3.36Å; K136-I138 PolarHBondContact O-N 3.5Å; I138-I142 HydrophobicContact CG2-CD1 3.98Å; I138-I142 WeakPolarHBondContact O-CB 3.43Å; I138-I142 WeakPolarHBondContact O-CD1 3.48Å; I138-I142 WeakPolarHBondContact O-CG1 3.21Å; I138-I142 PolarHBondContact O-N 2.94Å; I138-V160 HydrophobicContact CG2-CG1 3.99Å; I138-L164 HydrophobicContact CD1-CD1 4.22Å; I138-L164 HydrophobicContact CD1-CD2 4.24Å; I138-W187 HydrophobicContact CD1-CB 4.38Å
139Y96.9Very high95.9Very high39 Ų3959.2 Ų59.215%0.15331%0.307CS..Hα-helixtrans-66.2-47.7171.6-53.6-39.6000111.5V135 K136 E137 I142 L143 W156 K157 V160 R161V135-Y139 HydrophobicContact CG1-CE1 3.84Å; V135-Y139 HydrophobicContact CG1-CE2 4.11Å; V135-Y139 PolarHBondContact O-N 3.03Å; K136-Y139 WeakPolarHBondContact O-CA 3.39Å; K136-Y139 WeakPolarHBondContact O-CB 3.38Å; K136-Y139 PolarHBondContact O-N 2.85Å; E137-Y139 VanDerWaalsContact C-N 3.34Å; Y139-I142 PolarHBondContact O-N 2.92Å; Y139-L143 WeakPolarHBondContact O-CG 3.38Å; Y139-L143 PolarHBondContact O-N 3.01Å; Y139-W156 HydrophobicContact CD1-CH2 4.19Å; Y139-W156 AromaticContact CD1-CZ3 3.98Å; Y139-W156 HydrophobicContact CD1-CZ3 3.98Å; Y139-W156 HydrophobicContact CG-CH2 4.45Å; Y139-K157 HydrophobicContact CD1-CB 4.45Å; Y139-K157 HydrophobicContact CD1-CG 4.25Å; Y139-K157 HydrophobicContact CE1-CB 3.88Å; Y139-K157 HydrophobicContact CE1-CG 4.17Å; Y139-V160 HydrophobicContact CD1-CG1 4.34Å; Y139-V160 HydrophobicContact CE1-CB 4.23Å; Y139-V160 HydrophobicContact CE1-CG1 4.07Å; Y139-R161 WeakPolarHBondContact OH-CD 3.25Å; Y139-R161 WeakPolarHBondContact OH-CG 3.38Å; Y139-R161 PolarHBondContact OH-NH1 2.78Å
140S97.3Very high95.9Very high38 Ų3857 Ų5727%0.26630%0.299SS..Hα-helixtrans-55.6-54.8178.7-46.10000110.8K136 E137 I142 L143 D144K136-S140 PolarHBondContact O-N 2.89Å; K136-S140 PolarHBondContact O-OG 2.95Å; E137-S140 PolarHBondContact O-N 3.27Å; S140-I142 VanDerWaalsContact C-N 3.28Å; S140-I142 PolarHBondContact O-N 3.49Å; S140-L143 WeakPolarHBondContact O-CB 3.37Å; S140-L143 PolarHBondContact O-N 3.3Å; S140-D144 PolarHBondContact O-N 2.81Å
141W97.8Very high95.8Very high28 Ų2856.4 Ų56.411%0.10630%0.3CS..Hα-helixtrans-57.7-39.9-178.8-172.695.1000112.5M123 A124 H127 E137 H145 F146M123-W141 HydrophobicContact CB-CH2 3.35Å; M123-W141 HydrophobicContact CB-CZ2 3.98Å; M123-W141 HydrophobicContact CB-CZ3 3.86Å; M123-W141 HydrophobicContact CE-CH2 4.39Å; M123-W141 HydrophobicContact CG-CH2 4.46Å; A124-W141 VanDerWaalsContact CA-CD2 3.46Å; A124-W141 HydrophobicContact CB-CB 4.03Å; A124-W141 HydrophobicContact CB-CD2 3.64Å; A124-W141 HydrophobicContact CB-CE3 3.53Å; A124-W141 HydrophobicContact CB-CG 3.83Å; A124-W141 HydrophobicContact CB-CZ3 4.31Å; H127-W141 AromaticContact CE1-CZ2 3.97Å; H127-W141 AromaticContact ND1-CZ2 3.5Å; E137-W141 WeakPolarHBondContact O-CB 3.43Å; E137-W141 PolarHBondContact O-N 3.38Å; W141-H145 AromaticContact CD1-CE1 3.41Å; W141-H145 VanDerWaalsContact CD1-CE1 3.41Å; W141-H145 AromaticContact CD1-ND1 3.74Å; W141-H145 AromaticContact CD2-CE1 4Å; W141-H145 AromaticContact CD2-ND1 3.66Å; W141-H145 AromaticContact CE2-CD2 3.75Å; W141-H145 AromaticContact CE2-CE1 3.48Å; W141-H145 VanDerWaalsContact CE2-CE1 3.48Å; W141-H145 AromaticContact CE2-CG 3.69Å; W141-H145 AromaticContact CE2-ND1 3.5Å; W141-H145 AromaticContact CE2-NE2 3.61Å; W141-H145 AromaticContact CG-CE1 3.94Å; W141-H145 AromaticContact CG-ND1 3.8Å; W141-H145 HydrophobicContact CH2-CB 4.16Å; W141-H145 HydrophobicContact CZ2-CB 4.31Å; W141-H145 AromaticContact CZ2-CD2 3.5Å; W141-H145 AromaticContact CZ2-CG 3.67Å; W141-H145 AromaticContact CZ2-ND1 3.98Å; W141-H145 AromaticContact CZ2-NE2 3.75Å; W141-H145 HydrophobicContact CZ3-CB 4.31Å; W141-H145 AromaticContact NE1-CE1 3.1Å; W141-H145 PolarHBondContact NE1-CE1 3.37Å; W141-H145 AromaticContact NE1-ND1 3.56Å; W141-H145 AromaticContact NE1-NE2 3.36Å; W141-H145 PolarHBondContact NE1-NE2 3.04Å; W141-H145 WeakPolarHBondContact O-CB 3.37Å; W141-H145 PolarHBondContact O-N 2.88Å; W141-H145 VanDerWaalsContact O-N 3.1Å; W141-H145 PolarHBondContact O-ND1 3.02Å; W141-F146 AromaticContact CH2-CE2 3.99Å; W141-F146 HydrophobicContact CH2-CE2 3.99Å; W141-F146 HydrophobicContact CZ3-CD2 4.37Å; W141-F146 AromaticContact CZ3-CE2 3.81Å; W141-F146 HydrophobicContact CZ3-CE2 3.81Å
142I97.3Very high95.4Very high0 Ų052.7 Ų52.70%029%0.286CS..Hα-helixtrans-66-39.2177-72.4172.4000111.5L120 I138 Y139 S140 F146 F149 W156 V160L120-I142 HydrophobicContact CB-CD1 3.94Å; L120-I142 HydrophobicContact CB-CG1 4.2Å; I138-I142 HydrophobicContact CG2-CD1 3.98Å; I138-I142 WeakPolarHBondContact O-CB 3.43Å; I138-I142 WeakPolarHBondContact O-CD1 3.48Å; I138-I142 WeakPolarHBondContact O-CG1 3.21Å; I138-I142 PolarHBondContact O-N 2.94Å; Y139-I142 PolarHBondContact O-N 2.92Å; S140-I142 VanDerWaalsContact C-N 3.28Å; S140-I142 PolarHBondContact O-N 3.49Å; I142-F146 WeakPolarHBondContact O-CB 3.46Å; I142-F146 PolarHBondContact O-N 3.48Å; I142-F149 HydrophobicContact CG2-CB 4.12Å; I142-F149 HydrophobicContact CG2-CD2 3.31Å; I142-F149 HydrophobicContact CG2-CE2 3.76Å; I142-F149 HydrophobicContact CG2-CG 3.75Å; I142-W156 HydrophobicContact CB-CH2 4.49Å; I142-W156 HydrophobicContact CB-CZ3 4.32Å; I142-W156 HydrophobicContact CD1-CZ3 4.4Å; I142-W156 HydrophobicContact CG2-CH2 4.19Å; I142-W156 HydrophobicContact CG2-CZ3 3.91Å; I142-V160 HydrophobicContact CD1-CG2 4.01Å
143L95.9Very high95.2Very high59 Ų5954.9 Ų54.931%0.30930%0.3SS..Hα-helixtrans-66.1-46.6176-71.9165.5000111.6Y139 S140 H145 F149 A150 W156Y139-L143 WeakPolarHBondContact O-CG 3.38Å; Y139-L143 PolarHBondContact O-N 3.01Å; S140-L143 WeakPolarHBondContact O-CB 3.37Å; S140-L143 PolarHBondContact O-N 3.3Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 2.63Å; L143-F149 HydrophobicContact CD2-CB 4.08Å; L143-A150 HydrophobicContact CD2-CB 4.02Å; L143-W156 HydrophobicContact CD1-CZ2 4.38Å; L143-W156 HydrophobicContact CD2-CH2 4.49Å; L143-W156 HydrophobicContact CD2-CZ2 3.89Å; L143-W156 HydrophobicContact CG-CH2 4.17Å; L143-W156 HydrophobicContact CG-CZ2 4.02Å
144D96.6Very high94.7Very high122 Ų12256.6 Ų56.665%0.65231%0.312SS*.Hα-helixtrans-62.4-38.5-178.2-60.3-31.7000112.5S140S140-D144 PolarHBondContact O-N 2.81Å
145H95.6Very high94.6Very high95 Ų9556.3 Ų56.344%0.4431%0.314SS..Hα-helixtrans-94.2-20.3-174.5-65.868.3000113.5W141 L143W141-H145 AromaticContact CD1-CE1 3.41Å; W141-H145 VanDerWaalsContact CD1-CE1 3.41Å; W141-H145 AromaticContact CD1-ND1 3.74Å; W141-H145 AromaticContact CD2-CE1 4Å; W141-H145 AromaticContact CD2-ND1 3.66Å; W141-H145 AromaticContact CE2-CD2 3.75Å; W141-H145 AromaticContact CE2-CE1 3.48Å; W141-H145 VanDerWaalsContact CE2-CE1 3.48Å; W141-H145 AromaticContact CE2-CG 3.69Å; W141-H145 AromaticContact CE2-ND1 3.5Å; W141-H145 AromaticContact CE2-NE2 3.61Å; W141-H145 AromaticContact CG-CE1 3.94Å; W141-H145 AromaticContact CG-ND1 3.8Å; W141-H145 HydrophobicContact CH2-CB 4.16Å; W141-H145 HydrophobicContact CZ2-CB 4.31Å; W141-H145 AromaticContact CZ2-CD2 3.5Å; W141-H145 AromaticContact CZ2-CG 3.67Å; W141-H145 AromaticContact CZ2-ND1 3.98Å; W141-H145 AromaticContact CZ2-NE2 3.75Å; W141-H145 HydrophobicContact CZ3-CB 4.31Å; W141-H145 AromaticContact NE1-CE1 3.1Å; W141-H145 PolarHBondContact NE1-CE1 3.37Å; W141-H145 AromaticContact NE1-ND1 3.56Å; W141-H145 AromaticContact NE1-NE2 3.36Å; W141-H145 PolarHBondContact NE1-NE2 3.04Å; W141-H145 WeakPolarHBondContact O-CB 3.37Å; W141-H145 PolarHBondContact O-N 2.88Å; W141-H145 VanDerWaalsContact O-N 3.1Å; W141-H145 PolarHBondContact O-ND1 3.02Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 2.63Å
146F95.3Very high94.6Very high37 Ų3755.4 Ų55.416%0.16231%0.307CS..  trans-138.281-175.7-60.7-73.2000111.4P113 Y115 L120 M123 W141 I142 Y148 F149P113-F146 HydrophobicContact CB-CD1 3.56Å; P113-F146 HydrophobicContact CB-CE1 3.87Å; P113-F146 HydrophobicContact CB-CG 4.26Å; P113-F146 HydrophobicContact CG-CB 4.19Å; P113-F146 HydrophobicContact CG-CD1 3.87Å; P113-F146 HydrophobicContact CG-CG 4.08Å; Y115-F146 AromaticContact CD2-CE1 3.74Å; Y115-F146 HydrophobicContact CD2-CE1 3.74Å; Y115-F146 AromaticContact CD2-CZ 3.63Å; Y115-F146 HydrophobicContact CD2-CZ 3.63Å; Y115-F146 AromaticContact CE2-CE1 3.71Å; Y115-F146 HydrophobicContact CE2-CE1 3.71Å; Y115-F146 AromaticContact CE2-CZ 3.69Å; Y115-F146 HydrophobicContact CE2-CZ 3.69Å; L120-F146 HydrophobicContact CD2-CD2 3.61Å; L120-F146 HydrophobicContact CD2-CE2 3.41Å; L120-F146 VanDerWaalsContact CD2-CE2 3.41Å; L120-F146 HydrophobicContact CD2-CG 4.34Å; L120-F146 HydrophobicContact CD2-CZ 4Å; M123-F146 HydrophobicContact CE-CE2 4.06Å; M123-F146 HydrophobicContact CE-CZ 3.93Å; W141-F146 AromaticContact CH2-CE2 3.99Å; W141-F146 HydrophobicContact CH2-CE2 3.99Å; W141-F146 HydrophobicContact CZ3-CD2 4.37Å; W141-F146 AromaticContact CZ3-CE2 3.81Å; W141-F146 HydrophobicContact CZ3-CE2 3.81Å; I142-F146 WeakPolarHBondContact O-CB 3.46Å; I142-F146 PolarHBondContact O-N 3.48Å; F146-Y148 PolarHBondContact O-N 3.01Å; F146-F149 HydrophobicContact CB-CD2 3.74Å; F146-F149 HydrophobicContact CB-CE2 4.05Å; F146-F149 PolarHBondContact O-N 3.37Å
147P93.6Very high94.6Very high66 Ų6651.1 Ų51.143%0.42929%0.288SS..G310 helixtrans-53.2-24.9-173.2-30.737.1000115.8F149 A150P147-F149 PolarHBondContact O-N 3.2Å; P147-F149 VanDerWaalsContact O-N 3.13Å; P147-A150 WeakPolarHBondContact O-CB 3.48Å; P147-A150 PolarHBondContact O-N 2.96Å
148Y94.8Very high94.6Very high56 Ų5650.8 Ų50.822%0.2229%0.289CS..G310 helixtrans-44.1-40168.5169.4-99.3000113.8T110 S111 K112 F146 A150 T151 A152T110-Y148 WeakPolarHBondContact O-CD2 3.44Å; S111-Y148 WeakPolarHBondContact O-CB 3.31Å; K112-Y148 HydrophobicContact CB-CD1 4.31Å; K112-Y148 HydrophobicContact CB-CD2 4.19Å; K112-Y148 HydrophobicContact CB-CE1 3.93Å; K112-Y148 HydrophobicContact CB-CE2 3.8Å; K112-Y148 HydrophobicContact CB-CG 4.43Å; K112-Y148 HydrophobicContact CD-CE1 4.4Å; K112-Y148 HydrophobicContact CG-CD1 4.34Å; K112-Y148 HydrophobicContact CG-CE1 3.76Å; K112-Y148 HydrophobicContact CG-CE2 4.48Å; F146-Y148 PolarHBondContact O-N 3.01Å; Y148-A150 VanDerWaalsContact C-N 3.29Å; Y148-A150 PolarHBondContact O-N 2.92Å; Y148-T151 PolarHBondContact O-N 3.39Å; Y148-T151 PolarHBondContact O-OG1 3.12Å; Y148-A152 HydrophobicContact CD1-CB 4.32Å; Y148-A152 HydrophobicContact CE1-CB 3.91Å; Y148-A152 WeakPolarHBondContact O-CB 3.43Å; Y148-A152 PolarHBondContact O-N 2.85Å; Y148-A152 VanDerWaalsContact O-N 3.12Å
149F95.2Very high94.6Very high10 Ų1052.8 Ų52.84%0.04430%0.303CS..G310 helixtrans-73.5-16.2-176.4-70.6-70.4000114.4P113 F117 L120 I142 L143 F146 P147 T151 A152 W156P113-F149 HydrophobicContact CG-CE2 3.6Å; P113-F149 HydrophobicContact CG-CZ 4.09Å; F117-F149 AromaticContact CE1-CE1 4Å; F117-F149 HydrophobicContact CE1-CE1 4Å; F117-F149 HydrophobicContact CE1-CZ 4.26Å; F117-F149 HydrophobicContact CZ-CE1 4.38Å; L120-F149 HydrophobicContact CD1-CE2 3.66Å; L120-F149 HydrophobicContact CD1-CZ 3.58Å; I142-F149 HydrophobicContact CG2-CB 4.12Å; I142-F149 HydrophobicContact CG2-CD2 3.31Å; I142-F149 HydrophobicContact CG2-CE2 3.76Å; I142-F149 HydrophobicContact CG2-CG 3.75Å; L143-F149 HydrophobicContact CD2-CB 4.08Å; F146-F149 HydrophobicContact CB-CD2 3.74Å; F146-F149 HydrophobicContact CB-CE2 4.05Å; F146-F149 PolarHBondContact O-N 3.37Å; P147-F149 PolarHBondContact O-N 3.2Å; P147-F149 VanDerWaalsContact O-N 3.13Å; F149-T151 VanDerWaalsContact C-N 3.26Å; F149-T151 PolarHBondContact O-N 3.01Å; F149-A152 HydrophobicContact CD1-CB 4.11Å; F149-W156 HydrophobicContact CB-CD2 4.37Å; F149-W156 HydrophobicContact CB-CZ2 4.1Å; F149-W156 HydrophobicContact CD1-CB 4.03Å; F149-W156 AromaticContact CD1-CD2 3.79Å; F149-W156 HydrophobicContact CD1-CD2 3.79Å; F149-W156 HydrophobicContact CD1-CE3 4.18Å; F149-W156 AromaticContact CD1-CG 3.73Å; F149-W156 HydrophobicContact CD1-CG 3.73Å; F149-W156 HydrophobicContact CE1-CB 4.17Å; F149-W156 HydrophobicContact CE1-CG 4.35Å; F149-W156 HydrophobicContact CG-CD2 4.37Å; F149-W156 PolarHBondContact O-NE1 3.13Å
150A93.1Very high94.7Very high76 Ų7650.9 Ų50.963%0.62830%0.296SS*.G310 helixtrans-69-27.9172.800000112.1L143 P147 Y148L143-A150 HydrophobicContact CD2-CB 4.02Å; P147-A150 WeakPolarHBondContact O-CB 3.48Å; P147-A150 PolarHBondContact O-N 2.96Å; Y148-A150 VanDerWaalsContact C-N 3.29Å; Y148-A150 PolarHBondContact O-N 2.92Å
151T91.3Very high94.7Very high118 Ų11852.2 Ų52.272%0.72430%0.295SS*.SBendtrans-109.94.9177.753.50000113.6Y148 F149Y148-T151 PolarHBondContact O-N 3.39Å; Y148-T151 PolarHBondContact O-OG1 3.12Å; F149-T151 VanDerWaalsContact C-N 3.26Å; F149-T151 PolarHBondContact O-N 3.01Å
152A89.8Confident94.7Very high15 Ų1555.6 Ų55.612%0.12431%0.312CS..SBendtrans-81.2152.9-177.600000112.3Y148 F149 T154Y148-A152 HydrophobicContact CD1-CB 4.32Å; Y148-A152 HydrophobicContact CE1-CB 3.91Å; Y148-A152 WeakPolarHBondContact O-CB 3.43Å; Y148-A152 PolarHBondContact O-N 2.85Å; Y148-A152 VanDerWaalsContact O-N 3.12Å; F149-A152 HydrophobicContact CD1-CB 4.11Å; A152-T154 PolarHBondContact O-N 2.93Å
153P90.6Very high94.7Very high77 Ų7757 Ų5750%0.532%0.319SS..  trans-54.1138.6175.3-25.834.5000112.9E64 G155 W156E64-P153 VanDerWaalsContact OE1-CB 3.31Å; E64-P153 WeakPolarHBondContact OE1-CB 3.48Å; P153-G155 PolarHBondContact O-N 2.9Å; P153-W156 VanDerWaalsContact O-CD1 3.25Å; P153-W156 PolarHBondContact O-N 3.43Å; P153-W156 VanDerWaalsContact O-N 3.09Å
154T85.1Confident94.8Very high63 Ų6354.3 Ų54.339%0.38731%0.305SS..THydrogen-bonded Turntrans-56.1-23.2-17056.90000114.3N60 A152 W156 K157N60-T154 PolarHBondContact ND2-OG1 3.25Å; N60-T154 VanDerWaalsContact ND2-OG1 3.08Å; A152-T154 PolarHBondContact O-N 2.93Å; T154-W156 PolarHBondContact O-N 3.44Å; T154-K157 PolarHBondContact O-N 3Å
155G94.1Very high94.8Very high22 Ų2252.6 Ų52.623%0.22730%0.303CS..Hα-helixtrans-55.9-16.2173.300000115.7P153 K157 N158 S159P153-G155 PolarHBondContact O-N 2.9Å; G155-K157 PolarHBondContact O-N 3.44Å; G155-N158 WeakPolarHBondContact O-CB 3.33Å; G155-N158 PolarHBondContact O-N 3.3Å; G155-S159 PolarHBondContact O-N 3.35Å; G155-S159 PolarHBondContact O-OG 3.18Å
156W96.3Very high94.9Very high18 Ų1853.1 Ų53.17%0.06831%0.308CS..Hα-helixtrans-63.6-38.8176.880.3-105.8000112.8F117 Y139 I142 L143 F149 P153 T154 N158 S159 V160F117-W156 HydrophobicContact CE1-CB 4.26Å; F117-W156 HydrophobicContact CZ-CB 4.18Å; Y139-W156 HydrophobicContact CD1-CH2 4.19Å; Y139-W156 AromaticContact CD1-CZ3 3.98Å; Y139-W156 HydrophobicContact CD1-CZ3 3.98Å; Y139-W156 HydrophobicContact CG-CH2 4.45Å; I142-W156 HydrophobicContact CB-CH2 4.49Å; I142-W156 HydrophobicContact CB-CZ3 4.32Å; I142-W156 HydrophobicContact CD1-CZ3 4.4Å; I142-W156 HydrophobicContact CG2-CH2 4.19Å; I142-W156 HydrophobicContact CG2-CZ3 3.91Å; L143-W156 HydrophobicContact CD1-CZ2 4.38Å; L143-W156 HydrophobicContact CD2-CH2 4.49Å; L143-W156 HydrophobicContact CD2-CZ2 3.89Å; L143-W156 HydrophobicContact CG-CH2 4.17Å; L143-W156 HydrophobicContact CG-CZ2 4.02Å; F149-W156 HydrophobicContact CB-CD2 4.37Å; F149-W156 HydrophobicContact CB-CZ2 4.1Å; F149-W156 HydrophobicContact CD1-CB 4.03Å; F149-W156 AromaticContact CD1-CD2 3.79Å; F149-W156 HydrophobicContact CD1-CD2 3.79Å; F149-W156 HydrophobicContact CD1-CE3 4.18Å; F149-W156 AromaticContact CD1-CG 3.73Å; F149-W156 HydrophobicContact CD1-CG 3.73Å; F149-W156 HydrophobicContact CE1-CB 4.17Å; F149-W156 HydrophobicContact CE1-CG 4.35Å; F149-W156 HydrophobicContact CG-CD2 4.37Å; F149-W156 PolarHBondContact O-NE1 3.13Å; P153-W156 VanDerWaalsContact O-CD1 3.25Å; P153-W156 PolarHBondContact O-N 3.43Å; P153-W156 VanDerWaalsContact O-N 3.09Å; T154-W156 PolarHBondContact O-N 3.44Å; W156-N158 VanDerWaalsContact C-N 3.28Å; W156-N158 PolarHBondContact O-N 3.26Å; W156-S159 WeakPolarHBondContact O-CB 3.19Å; W156-S159 PolarHBondContact O-N 3.12Å; W156-S159 VanDerWaalsContact O-N 3.13Å; W156-V160 HydrophobicContact CE3-CG2 4.01Å; W156-V160 HydrophobicContact CZ3-CG2 4.14Å; W156-V160 PolarHBondContact O-N 3.33Å
157K96.3Very high94.9Very high46 Ų4653.1 Ų53.120%0.231%0.31CS..Hα-helixtrans-61.4-38.5175.3-66172.9-179.4171.40111.2E55 Y139 T154 G155 V160 R161E55-K157 IonicContact OE1-NZ 2.63Å; E55-K157 PolarHBondContact OE1-NZ 2.67Å; E55-K157 WeakPolarHBondContact OE2-CD 3.4Å; E55-K157 WeakPolarHBondContact OE2-CE 3.41Å; E55-K157 IonicContact OE2-NZ 2.62Å; E55-K157 PolarHBondContact OE2-NZ 2.86Å; Y139-K157 HydrophobicContact CD1-CB 4.45Å; Y139-K157 HydrophobicContact CD1-CG 4.25Å; Y139-K157 HydrophobicContact CE1-CB 3.88Å; Y139-K157 HydrophobicContact CE1-CG 4.17Å; T154-K157 PolarHBondContact O-N 3Å; G155-K157 PolarHBondContact O-N 3.44Å; K157-V160 PolarHBondContact O-N 2.74Å; K157-R161 WeakPolarHBondContact O-CG 3.3Å; K157-R161 PolarHBondContact O-N 2.83Å; K157-R161 VanDerWaalsContact O-N 3.13Å
158N96.8Very high95.1Very high81 Ų8157.5 Ų57.543%0.43332%0.322SS..Hα-helixtrans-68-38.6175.8-165.735.8000111.7G155 W156 V160 R161 H162G155-N158 WeakPolarHBondContact O-CB 3.33Å; G155-N158 PolarHBondContact O-N 3.3Å; W156-N158 VanDerWaalsContact C-N 3.28Å; W156-N158 PolarHBondContact O-N 3.26Å; N158-V160 VanDerWaalsContact C-N 3.31Å; N158-V160 PolarHBondContact O-N 3.5Å; N158-R161 PolarHBondContact O-N 3.19Å; N158-H162 WeakPolarHBondContact O-CB 3.37Å; N158-H162 PolarHBondContact O-N 3.38Å
159S97.7Very high95.2Very high42 Ų4255.8 Ų55.829%0.29432%0.318SS..Hα-helixtrans-63-35.5174.9-63.30000112.4G155 W156 N163G155-S159 PolarHBondContact O-N 3.35Å; G155-S159 PolarHBondContact O-OG 3.18Å; W156-S159 WeakPolarHBondContact O-CB 3.19Å; W156-S159 PolarHBondContact O-N 3.12Å; W156-S159 VanDerWaalsContact O-N 3.13Å; S159-N163 WeakPolarHBondContact O-CB 3.45Å; S159-N163 PolarHBondContact O-N 3.18Å; S159-N163 PolarHBondContact O-ND2 3.39Å
160V97.9Very high95.3Very high0 Ų055.8 Ų55.80%032%0.318CS..Hα-helixtrans-63.8-51.1170.8169.40000111.2F117 I121 I138 Y139 I142 W156 K157 N158 H162 N163 L164F117-V160 HydrophobicContact CD1-CG2 3.7Å; F117-V160 HydrophobicContact CE1-CG2 4.13Å; I121-V160 HydrophobicContact CD1-CG1 4.22Å; I121-V160 HydrophobicContact CG1-CG1 4.17Å; I138-V160 HydrophobicContact CG2-CG1 3.99Å; Y139-V160 HydrophobicContact CD1-CG1 4.34Å; Y139-V160 HydrophobicContact CE1-CB 4.23Å; Y139-V160 HydrophobicContact CE1-CG1 4.07Å; I142-V160 HydrophobicContact CD1-CG2 4.01Å; W156-V160 HydrophobicContact CE3-CG2 4.01Å; W156-V160 HydrophobicContact CZ3-CG2 4.14Å; W156-V160 PolarHBondContact O-N 3.33Å; K157-V160 PolarHBondContact O-N 2.74Å; N158-V160 VanDerWaalsContact C-N 3.31Å; N158-V160 PolarHBondContact O-N 3.5Å; V160-H162 VanDerWaalsContact C-N 3.32Å; V160-H162 PolarHBondContact O-N 3.42Å; V160-N163 PolarHBondContact O-N 3.49Å; V160-L164 HydrophobicContact CG1-CD1 4.27Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.35Å
161R97.5Very high95.5Very high66 Ų6656.3 Ų56.325%0.24931%0.308CS..Hα-helixtrans-56.3-45.6176.7-67.2-172.2-64.2-107.422.8112.3V135 Y139 K157 N158 L164 S165V135-R161 HydrophobicContact CG1-CG 4.26Å; Y139-R161 WeakPolarHBondContact OH-CD 3.25Å; Y139-R161 WeakPolarHBondContact OH-CG 3.38Å; Y139-R161 PolarHBondContact OH-NH1 2.78Å; K157-R161 WeakPolarHBondContact O-CG 3.3Å; K157-R161 PolarHBondContact O-N 2.83Å; K157-R161 VanDerWaalsContact O-N 3.13Å; N158-R161 PolarHBondContact O-N 3.19Å; R161-L164 PolarHBondContact O-N 3.48Å; R161-S165 PolarHBondContact O-N 3.29Å; R161-S165 VanDerWaalsContact O-N 3.14Å; R161-S165 PolarHBondContact O-OG 3.18Å
162H97.8Very high95.7Very high99 Ų9957.4 Ų57.446%0.45830%0.303SS..Hα-helixtrans-59.6-48.5176.4176.165.9000111.6N158 V160 L164 S165 L166N158-H162 WeakPolarHBondContact O-CB 3.37Å; N158-H162 PolarHBondContact O-N 3.38Å; V160-H162 VanDerWaalsContact C-N 3.32Å; V160-H162 PolarHBondContact O-N 3.42Å; H162-L164 VanDerWaalsContact C-N 3.34Å; H162-L164 PolarHBondContact O-N 3.44Å; H162-S165 PolarHBondContact O-N 3.03Å; H162-S165 VanDerWaalsContact O-N 3.1Å; H162-S165 PolarHBondContact O-OG 3.42Å; H162-L166 VanDerWaalsContact CE1-CD1 3.5Å; H162-L166 WeakPolarHBondContact CE1-CD1 3.44Å; H162-L166 WeakPolarHBondContact O-CB 3.17Å; H162-L166 PolarHBondContact O-N 3.24Å
163N98.1Very high95.9Very high28 Ų2859 Ų5915%0.1531%0.31CS..Hα-helixtrans-64.2-34.6179.9-86.8-91.3000113.3F117 S118 I121 S159 V160 N167F117-N163 HydrophobicContact CB-CB 4.18Å; S118-N163 PolarHBondContact OG-OD1 2.82Å; I121-N163 HydrophobicContact CD1-CB 3.74Å; S159-N163 WeakPolarHBondContact O-CB 3.45Å; S159-N163 PolarHBondContact O-N 3.18Å; S159-N163 PolarHBondContact O-ND2 3.39Å; V160-N163 PolarHBondContact O-N 3.49Å; N163-N167 WeakPolarHBondContact O-CB 3.13Å; N163-N167 PolarHBondContact O-N 3.21Å; N163-N167 VanDerWaalsContact O-N 3.12Å; N163-N167 PolarHBondContact O-ND2 3.42Å; N163-N167 PolarHBondContact OD1-ND2 3.18Å
164L97.8Very high95.7Very high3 Ų362.7 Ų62.72%0.01632%0.321CS..Hα-helixtrans-61.9-44171.1-71.1169.5000111.5I121 V135 I138 V160 R161 H162 F170 W187I121-L164 HydrophobicContact CD1-CD2 4.17Å; I121-L164 HydrophobicContact CD1-CG 4.05Å; I121-L164 HydrophobicContact CG2-CD2 3.59Å; V135-L164 HydrophobicContact CG1-CD1 4.11Å; V135-L164 HydrophobicContact CG2-CD1 4.06Å; I138-L164 HydrophobicContact CD1-CD1 4.22Å; I138-L164 HydrophobicContact CD1-CD2 4.24Å; V160-L164 HydrophobicContact CG1-CD1 4.27Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.35Å; R161-L164 PolarHBondContact O-N 3.48Å; H162-L164 VanDerWaalsContact C-N 3.34Å; H162-L164 PolarHBondContact O-N 3.44Å; L164-F170 HydrophobicContact CD2-CB 4.1Å; L164-F170 HydrophobicContact CD2-CD2 4.29Å; L164-F170 HydrophobicContact CD2-CG 4.08Å; L164-W187 HydrophobicContact CB-CD2 4.02Å; L164-W187 HydrophobicContact CB-CE3 3.98Å; L164-W187 HydrophobicContact CB-CH2 3.98Å; L164-W187 HydrophobicContact CB-CZ2 4.04Å; L164-W187 HydrophobicContact CB-CZ3 3.96Å; L164-W187 HydrophobicContact CD1-CD2 4.23Å; L164-W187 HydrophobicContact CD1-CG 4.16Å; L164-W187 HydrophobicContact CD2-CB 3.95Å; L164-W187 HydrophobicContact CD2-CD2 3.88Å; L164-W187 HydrophobicContact CD2-CE3 3.99Å; L164-W187 HydrophobicContact CD2-CG 3.87Å; L164-W187 HydrophobicContact CG-CD2 4.27Å; L164-W187 HydrophobicContact CG-CG 4.48Å; L164-W187 WeakPolarHBondContact O-CZ3 3.32Å
165S96.9Very high95.5Very high86 Ų8663.6 Ų63.660%0.60132%0.317SS*.Hα-helixtrans-76.3-25.9-179.364.60000115.4R161 H162R161-S165 PolarHBondContact O-N 3.29Å; R161-S165 VanDerWaalsContact O-N 3.14Å; R161-S165 PolarHBondContact O-OG 3.18Å; H162-S165 PolarHBondContact O-N 3.03Å; H162-S165 VanDerWaalsContact O-N 3.1Å; H162-S165 PolarHBondContact O-OG 3.42Å
166L96.5Very high94.6Very high107 Ų10766.9 Ų66.956%0.5634%0.337SS*.Hα-helixtrans-95.7-39.7-173.3-178.5147.4000113.5H162 K168H162-L166 VanDerWaalsContact CE1-CD1 3.5Å; H162-L166 WeakPolarHBondContact CE1-CD1 3.44Å; H162-L166 WeakPolarHBondContact O-CB 3.17Å; H162-L166 PolarHBondContact O-N 3.24Å; L166-K168 PolarHBondContact O-N 2.93Å
167N95.9Very high92.9Very high37 Ų3774.3 Ų74.320%0.19837%0.372CS..  trans-84.7119.3-175.6-64.8-86000110.4S118 N163 C169 F170S118-N167 PolarHBondContact OG-ND2 3.46Å; N163-N167 WeakPolarHBondContact O-CB 3.13Å; N163-N167 PolarHBondContact O-N 3.21Å; N163-N167 VanDerWaalsContact O-N 3.12Å; N163-N167 PolarHBondContact O-ND2 3.42Å; N163-N167 PolarHBondContact OD1-ND2 3.18Å; N167-C169 HydrophobicContact CB-CB 4.49Å; N167-C169 PolarHBondContact O-N 3.17Å; N167-F170 HydrophobicContact CB-CD2 3.96Å; N167-F170 HydrophobicContact CB-CE2 4.06Å; N167-F170 PolarHBondContact O-N 3.08Å
168K96.9Very high91.3Very high157 Ų15775.7 Ų75.768%0.68340%0.399SS*.THydrogen-bonded Turntrans-52.3-20.5170.4-66.2-172.8176.5-172.80114.2L166 F170 Y193L166-K168 PolarHBondContact O-N 2.93Å; K168-F170 PolarHBondContact O-N 3.48Å; K168-F170 VanDerWaalsContact O-N 3.14Å; K168-Y193 HydrophobicContact CB-CE1 4.1Å; K168-Y193 HydrophobicContact CB-CE2 4.15Å
169C97.4Very high89.5Confident21 Ų2179.6 Ų79.614%0.14241%0.412CS..THydrogen-bonded Turntrans-63.6-13.6176.1-40.70000114.4N167 V189 D190 Y193 L197N167-C169 HydrophobicContact CB-CB 4.49Å; N167-C169 PolarHBondContact O-N 3.17Å; C169-V189 WeakPolarHBondContact O-CA 3.33Å; C169-D190 PolarHBondContact O-N 3.04Å; C169-Y193 HydrophobicContact CB-CG 4.36Å; C169-L197 HydrophobicContact CB-CD1 3.78Å; C169-L197 HydrophobicContact CB-CG 4.34Å
170F97.9Very high87.5Confident10 Ų1082.7 Ų82.74%0.04443%0.429CS..EExtended strand (participates in β ladder)trans-121.1127.7176.5-50-60.3000110.4S118 I121 I125 L164 N167 K168 W187 C188 V189 L197S118-F170 WeakPolarHBondContact O-CZ 3.21Å; I121-F170 HydrophobicContact CB-CE1 4.13Å; I121-F170 HydrophobicContact CB-CE2 4.24Å; I121-F170 HydrophobicContact CB-CZ 3.82Å; I121-F170 HydrophobicContact CD1-CE2 4.21Å; I121-F170 HydrophobicContact CG2-CD1 3.73Å; I121-F170 HydrophobicContact CG2-CD2 4.22Å; I121-F170 HydrophobicContact CG2-CE1 3.44Å; I121-F170 VanDerWaalsContact CG2-CE1 3.44Å; I121-F170 HydrophobicContact CG2-CE2 3.97Å; I121-F170 HydrophobicContact CG2-CG 4.13Å; I121-F170 HydrophobicContact CG2-CZ 3.59Å; I125-F170 HydrophobicContact CD1-CD1 4.11Å; L164-F170 HydrophobicContact CD2-CB 4.1Å; L164-F170 HydrophobicContact CD2-CD2 4.29Å; L164-F170 HydrophobicContact CD2-CG 4.08Å; N167-F170 HydrophobicContact CB-CD2 3.96Å; N167-F170 HydrophobicContact CB-CE2 4.06Å; N167-F170 PolarHBondContact O-N 3.08Å; K168-F170 PolarHBondContact O-N 3.48Å; K168-F170 VanDerWaalsContact O-N 3.14Å; F170-W187 HydrophobicContact CB-CE3 4.13Å; F170-C188 WeakPolarHBondContact CA-O 3.45Å; F170-V189 HydrophobicContact CD1-CG2 4.34Å; F170-V189 HydrophobicContact CE1-CG2 4.23Å; F170-L197 HydrophobicContact CE1-CD1 4.24Å; F170-L197 HydrophobicContact CZ-CD1 4.44Å
171Q97Very high85.6Confident87 Ų8790.8 Ų90.841%0.40747%0.472SS..EExtended strand (participates in β ladder)trans-110.2136175.756.51731300110.9V173 W187 C188Q171-V173 HydrophobicContact CG-CG2 4.06Å; Q171-V173 PolarHBondContact O-N 3.01Å; Q171-W187 WeakPolarHBondContact O-CA 3.41Å; Q171-C188 HydrophobicContact CG-CB 4.33Å; Q171-C188 PolarHBondContact N-O 3.49Å; Q171-C188 PolarHBondContact O-N 2.76Å
172K96.4Very high84Confident141 Ų14189.2 Ų89.261%0.61348%0.477SS*.EExtended strand (participates in β ladder)trans-77.4114.3171.1-178.5-170.5177.7-168.20108.3S185 W187K172-S185 VanDerWaalsContact CE-CB 3.48Å; K172-S185 WeakPolarHBondContact CE-OG 3.5Å; K172-W187 HydrophobicContact CB-CD2 4.44Å; K172-W187 HydrophobicContact CB-CE3 4.16Å; K172-W187 HydrophobicContact CB-CH2 3.93Å; K172-W187 HydrophobicContact CB-CZ2 4.2Å; K172-W187 HydrophobicContact CB-CZ3 3.9Å; K172-W187 HydrophobicContact CG-CZ2 4.41Å
173V92.9Very high82.8Confident48 Ų4892.5 Ų92.529%0.29149%0.49SS..EExtended strand (participates in β ladder)trans-105.3133.6179.91780000109.9Q171 L186 C188Q171-V173 HydrophobicContact CG-CG2 4.06Å; Q171-V173 PolarHBondContact O-N 3.01Å; V173-L186 PolarHBondContact N-O 2.64Å; V173-L186 PolarHBondContact O-N 3.21Å; V173-C188 HydrophobicContact CG2-CB 4.14Å; V173-C188 WeakPolarHBondContact CG2-SG 3.39Å
174E87.1Confident82.1Confident154 Ų15493.7 Ų93.772%0.7251%0.509SS*.PPolyproline II helixtrans-72.3140.7176.5-173146.9-124.600110.9
175R79.9Confident81.8Confident82 Ų8295.4 Ų95.431%0.30952%0.521SS..PPolyproline II helixtrans-77.3130.1-179.8-166.7-177.7-169.194.35.2108.8H177 K179 V180R175-H177 PolarHBondContact O-N 3.36Å; R175-H177 VanDerWaalsContact O-N 3.12Å; R175-K179 PolarHBondContact NE-O 2.8Å; R175-V180 PolarHBondContact NE-O 2.96Å; R175-V180 VanDerWaalsContact NE-O 3.12Å
176S74.8Confident81.7Confident91 Ų9193 Ų9364%0.63650%0.501SS*.PPolyproline II helixtrans-59.1119.2175.749.30000110.5G178 K179S176-G178 PolarHBondContact O-N 3.49Å; S176-K179 PolarHBondContact O-N 2.61Å
177H61.7Low81.7Confident175 Ų17589.7 Ų89.781%0.8148%0.481SS*.THydrogen-bonded Turntrans-59.7-8.9-166.3-58.2-73.6000115.6R175R175-H177 PolarHBondContact O-N 3.36Å; R175-H177 VanDerWaalsContact O-N 3.12Å
178G62.3Low81.8Confident75 Ų7588.3 Ų88.377%0.77347%0.474SS*.THydrogen-bonded Turntrans-93.9-4.1-179.800000116.7S176S176-G178 PolarHBondContact O-N 3.49Å
179K59.3Low81.9Confident163 Ų16381.6 Ų81.671%0.70945%0.447SS*.SBendtrans-134.9106.4-180-89.5-165.5173.3-174.90116.6R175 S176R175-K179 PolarHBondContact NE-O 2.8Å; S176-K179 PolarHBondContact O-N 2.61Å
180V55.3Low81.9Confident106 Ų10682.4 Ų82.464%0.64245%0.449SS*.  trans69.1135163.7-166.90000114.4R175 G182R175-V180 PolarHBondContact NE-O 2.96Å; R175-V180 VanDerWaalsContact NE-O 3.12Å; V180-G182 PolarHBondContact O-N 3.28Å
181N57.9Low81.8Confident170 Ų17086.5 Ų86.591%0.90948%0.477SS*.  trans-69.829.3-172.1-41.561.2000113.9K183N181-K183 PolarHBondContact O-N 2.91Å
182G64Low81.8Confident34 Ų3488.5 Ų88.535%0.35149%0.486SS..  trans-67.1114.7-172.400000112.4V180V180-G182 PolarHBondContact O-N 3.28Å
183K73.3Confident81.8Confident168 Ų16884.4 Ų84.473%0.7347%0.467SS*.  trans-60.4132.2176-171.7179.9-177.5-177.90110.9D53 N181D53-K183 IonicContact OD2-NZ 2.68Å; D53-K183 PolarHBondContact OD2-NZ 3.13Å; N181-K183 PolarHBondContact O-N 2.91Å
184G83.2Confident82Confident52 Ų5284.8 Ų84.854%0.53647%0.465SS..SBendtrans91.2164.8176.200000115
185S90.9Very high82.4Confident40 Ų4081 Ų8128%0.2845%0.454SS..  trans-89.8155-178.5-510000112.2K172K172-S185 VanDerWaalsContact CE-CB 3.48Å; K172-S185 WeakPolarHBondContact CE-OG 3.5Å
186L94.9Very high83.2Confident34 Ų3481.8 Ų81.818%0.17846%0.464CS..EExtended strand (participates in β ladder)trans-81.6149.7172.8-61.7175.1000110.1P134 V173P134-L186 HydrophobicContact CB-CD2 4.15Å; P134-L186 HydrophobicContact CG-CD2 4.26Å; V173-L186 PolarHBondContact N-O 2.64Å; V173-L186 PolarHBondContact O-N 3.21Å
187W97.4Very high84.2Confident39 Ų3978 Ų7815%0.14844%0.437CS..EExtended strand (participates in β ladder)trans-121.4130171.8-68.690.3000109.1I125 C132 L133 I138 L164 F170 Q171 K172I125-W187 HydrophobicContact CD1-CB 4.37Å; C132-W187 CarbonylContact C-O 3.45Å; C132-W187 VanDerWaalsContact CA-O 3.27Å; C132-W187 WeakPolarHBondContact CA-O 3.45Å; L133-W187 PolarHBondContact N-O 3Å; L133-W187 PolarHBondContact O-N 3.32Å; I138-W187 HydrophobicContact CD1-CB 4.38Å; L164-W187 HydrophobicContact CB-CD2 4.02Å; L164-W187 HydrophobicContact CB-CE3 3.98Å; L164-W187 HydrophobicContact CB-CH2 3.98Å; L164-W187 HydrophobicContact CB-CZ2 4.04Å; L164-W187 HydrophobicContact CB-CZ3 3.96Å; L164-W187 HydrophobicContact CD1-CD2 4.23Å; L164-W187 HydrophobicContact CD1-CG 4.16Å; L164-W187 HydrophobicContact CD2-CB 3.95Å; L164-W187 HydrophobicContact CD2-CD2 3.88Å; L164-W187 HydrophobicContact CD2-CE3 3.99Å; L164-W187 HydrophobicContact CD2-CG 3.87Å; L164-W187 HydrophobicContact CG-CD2 4.27Å; L164-W187 HydrophobicContact CG-CG 4.48Å; L164-W187 WeakPolarHBondContact O-CZ3 3.32Å; F170-W187 HydrophobicContact CB-CE3 4.13Å; Q171-W187 WeakPolarHBondContact O-CA 3.41Å; K172-W187 HydrophobicContact CB-CD2 4.44Å; K172-W187 HydrophobicContact CB-CE3 4.16Å; K172-W187 HydrophobicContact CB-CH2 3.93Å; K172-W187 HydrophobicContact CB-CZ2 4.2Å; K172-W187 HydrophobicContact CB-CZ3 3.9Å; K172-W187 HydrophobicContact CG-CZ2 4.41Å
188C97.6Very high85.9Confident7 Ų772.4 Ų72.45%0.04741%0.412CS..EExtended strand (participates in β ladder)trans-127155.8-179.2-43.30000109.2C132 F170 Q171 V173C132-C188 HydrophobicContact CB-CB 4.15Å; C132-C188 WeakPolarHBondContact CB-SG 3.2Å; C132-C188 WeakPolarHBondContact SG-CB 3.43Å; C132-C188 CovalentContact SG-SG 2.03Å; C132-C188 PolarHBondContact SG-SG 3.26Å; F170-C188 WeakPolarHBondContact CA-O 3.45Å; Q171-C188 HydrophobicContact CG-CB 4.33Å; Q171-C188 PolarHBondContact N-O 3.49Å; Q171-C188 PolarHBondContact O-N 2.76Å; V173-C188 HydrophobicContact CG2-CB 4.14Å; V173-C188 WeakPolarHBondContact CG2-SG 3.39Å
189V98Very high87.4Confident17 Ų1773.8 Ų73.810%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-76.9131.7173.7-179.90000109.1Y122 I125 C169 F170 K194 L197Y122-V189 HydrophobicContact CD2-CG1 4.1Å; Y122-V189 HydrophobicContact CD2-CG2 3.74Å; Y122-V189 HydrophobicContact CE2-CG1 4.3Å; Y122-V189 HydrophobicContact CE2-CG2 4.28Å; I125-V189 HydrophobicContact CB-CG2 4.03Å; I125-V189 HydrophobicContact CD1-CG2 4.28Å; I125-V189 HydrophobicContact CG2-CG2 3.83Å; C169-V189 WeakPolarHBondContact O-CA 3.33Å; F170-V189 HydrophobicContact CD1-CG2 4.34Å; F170-V189 HydrophobicContact CE1-CG2 4.23Å; V189-K194 HydrophobicContact CG1-CB 3.91Å; V189-K194 HydrophobicContact CG1-CG 4.38Å; V189-L197 HydrophobicContact CG1-CD1 3.85Å
190D97.3Very high89.1Confident37 Ų3767.7 Ų67.720%0.19838%0.378CS..  trans-68.8124.9173-175.4-36.3000110.1C169 E192 Y193 K194C169-D190 PolarHBondContact O-N 3.04Å; D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 3.13Å; D190-E192 WeakPolarHBondContact OD1-CB 3.2Å; D190-E192 PolarHBondContact OD1-N 2.99Å; D190-Y193 HydrophobicContact CB-CD2 3.81Å; D190-Y193 PolarHBondContact O-N 3.09Å; D190-Y193 VanDerWaalsContact O-N 3.15Å; D190-K194 PolarHBondContact O-N 3.3Å
191P96.7Very high90.9Very high97 Ų9764.6 Ų64.663%0.6336%0.358SS*.THydrogen-bonded Turntrans-55-32178.1-26.635.8000115.4Y193 P195P191-Y193 VanDerWaalsContact C-N 3.33Å; P191-P195 WeakPolarHBondContact O-CD 3.39Å
192E97.3Very high92.5Very high129 Ų12964.3 Ų64.360%0.60335%0.349SS*.THydrogen-bonded Turntrans-64.4-39.1178.2-178.8179.6-144.400111.1D190 P195D190-E192 VanDerWaalsContact C-N 3.26Å; D190-E192 PolarHBondContact O-N 3.13Å; D190-E192 WeakPolarHBondContact OD1-CB 3.2Å; D190-E192 PolarHBondContact OD1-N 2.99Å; E192-P195 WeakPolarHBondContact O-CD 3.35Å; E192-P195 WeakPolarHBondContact O-CG 3.5Å
193Y96.2Very high93.7Very high54 Ų5469.3 Ų69.321%0.21236%0.361CS..THydrogen-bonded Turntrans-96.4-16.7-174.4-57.5-95000113.3K168 C169 D190 P191 P195 N196 L197K168-Y193 HydrophobicContact CB-CE1 4.1Å; K168-Y193 HydrophobicContact CB-CE2 4.15Å; C169-Y193 HydrophobicContact CB-CG 4.36Å; D190-Y193 HydrophobicContact CB-CD2 3.81Å; D190-Y193 PolarHBondContact O-N 3.09Å; D190-Y193 VanDerWaalsContact O-N 3.15Å; P191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-P195 VanDerWaalsContact C-CD 3.5Å; Y193-N196 WeakPolarHBondContact O-CB 3.48Å; Y193-N196 PolarHBondContact O-N 3.46Å; Y193-L197 PolarHBondContact O-N 3.01Å; Y193-L197 VanDerWaalsContact O-N 3.16Å
194K96.3Very high94.3Very high57 Ų5763.9 Ų63.925%0.24834%0.338CS..Hα-helixtrans-46.5-47.2173.4-178.4158.9176.5161.80114.8Y122 E126 V189 D190 N196 L197 I198Y122-K194 HydrophobicContact CE2-CG 4.21Å; E126-K194 IonicContact OE1-NZ 2.76Å; E126-K194 PolarHBondContact OE1-NZ 3.44Å; E126-K194 VanDerWaalsContact OE2-CE 3.31Å; E126-K194 WeakPolarHBondContact OE2-CE 3.03Å; E126-K194 IonicContact OE2-NZ 2.84Å; E126-K194 PolarHBondContact OE2-NZ 3.13Å; V189-K194 HydrophobicContact CG1-CB 3.91Å; V189-K194 HydrophobicContact CG1-CG 4.38Å; D190-K194 PolarHBondContact O-N 3.3Å; K194-N196 VanDerWaalsContact C-N 3.27Å; K194-N196 PolarHBondContact O-N 3.38Å; K194-L197 PolarHBondContact O-N 3.22Å; K194-I198 HydrophobicContact CG-CD1 3.82Å; K194-I198 HydrophobicContact CG-CG1 4.43Å; K194-I198 WeakPolarHBondContact O-CG1 3.4Å; K194-I198 PolarHBondContact O-N 3.38Å
195P97.1Very high93.5Very high75 Ų7566.2 Ų66.249%0.48734%0.344SS..Hα-helixtrans-61-33.8177.222.6-34.2000113.3P191 E192 Y193 I198 Q199P191-P195 WeakPolarHBondContact O-CD 3.39Å; E192-P195 WeakPolarHBondContact O-CD 3.35Å; E192-P195 WeakPolarHBondContact O-CG 3.5Å; Y193-P195 VanDerWaalsContact C-CD 3.5Å; P195-I198 PolarHBondContact O-N 3.38Å; P195-Q199 PolarHBondContact O-N 3.1Å
196N96.5Very high91.9Very high97 Ų9771.4 Ų71.452%0.51936%0.362SS..Hα-helixtrans-69.1-40.9177.8-60.6-43.9000111.4Y193 K194 Q199 A200Y193-N196 WeakPolarHBondContact O-CB 3.48Å; Y193-N196 PolarHBondContact O-N 3.46Å; K194-N196 VanDerWaalsContact C-N 3.27Å; K194-N196 PolarHBondContact O-N 3.38Å; N196-Q199 PolarHBondContact O-N 3.4Å; N196-A200 WeakPolarHBondContact O-CB 3.31Å; N196-A200 PolarHBondContact O-N 3.24Å
197L95.9Very high89.8Confident11 Ų1172.4 Ų72.46%0.05837%0.371CS..Hα-helixtrans-63.6-42.8173.5-70.3169.2000111.9L119 Y122 C169 F170 V189 Y193 K194 Q199 A200 L201L119-L197 HydrophobicContact CD2-CD2 4.44Å; Y122-L197 HydrophobicContact CD1-CB 4.32Å; Y122-L197 HydrophobicContact CD2-CB 3.9Å; Y122-L197 HydrophobicContact CD2-CD1 3.65Å; Y122-L197 HydrophobicContact CD2-CG 4.39Å; Y122-L197 HydrophobicContact CE2-CB 4.3Å; Y122-L197 HydrophobicContact CE2-CD1 4.49Å; Y122-L197 HydrophobicContact CG-CB 3.93Å; Y122-L197 HydrophobicContact CG-CD1 4.05Å; Y122-L197 HydrophobicContact CG-CG 4.47Å; C169-L197 HydrophobicContact CB-CD1 3.78Å; C169-L197 HydrophobicContact CB-CG 4.34Å; F170-L197 HydrophobicContact CE1-CD1 4.24Å; F170-L197 HydrophobicContact CZ-CD1 4.44Å; V189-L197 HydrophobicContact CG1-CD1 3.85Å; Y193-L197 PolarHBondContact O-N 3.01Å; Y193-L197 VanDerWaalsContact O-N 3.16Å; K194-L197 PolarHBondContact O-N 3.22Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 2.86Å; L197-A200 PolarHBondContact O-N 3.24Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 3.42Å
198I95.7Very high87.2Confident58 Ų5876.4 Ų76.430%0.29741%0.405SS..Hα-helixtrans-60.9-43.1174.4-68166000111.1Y122 K194 P195 L201 K202Y122-I198 HydrophobicContact CE1-CG1 4.35Å; Y122-I198 WeakPolarHBondContact OH-CG1 3.35Å; K194-I198 HydrophobicContact CG-CD1 3.82Å; K194-I198 HydrophobicContact CG-CG1 4.43Å; K194-I198 WeakPolarHBondContact O-CG1 3.4Å; K194-I198 PolarHBondContact O-N 3.38Å; P195-I198 PolarHBondContact O-N 3.38Å; I198-L201 PolarHBondContact O-N 2.8Å; I198-K202 HydrophobicContact CG2-CD 4.38Å; I198-K202 WeakPolarHBondContact O-CG 3.5Å; I198-K202 PolarHBondContact O-N 3.14Å
199Q95.6Very high84.8Confident105 Ų10580.8 Ų80.849%0.49144%0.442SS..Hα-helixtrans-67.1-40177.4-158.9-159.854.400111.7P195 N196 L197 L201 K202 K203P195-Q199 PolarHBondContact O-N 3.1Å; N196-Q199 PolarHBondContact O-N 3.4Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 2.86Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; Q199-L201 PolarHBondContact O-N 2.82Å; Q199-K202 PolarHBondContact O-N 2.89Å; Q199-K203 HydrophobicContact CG-CD 4.41Å; Q199-K203 WeakPolarHBondContact O-CB 3.33Å; Q199-K203 VanDerWaalsContact O-CG 3.31Å; Q199-K203 WeakPolarHBondContact O-CG 3.48Å; Q199-K203 PolarHBondContact O-N 3.49Å
200A94.3Very high82.3Confident34 Ų3485.7 Ų85.728%0.28148%0.477SS..Hα-helixtrans-64.5-36.7176.300000112.4L119 N196 L197 K203 Q204L119-A200 HydrophobicContact CD2-CB 4.05Å; N196-A200 WeakPolarHBondContact O-CB 3.31Å; N196-A200 PolarHBondContact O-N 3.24Å; L197-A200 PolarHBondContact O-N 3.24Å; A200-K203 PolarHBondContact O-N 2.97Å; A200-Q204 PolarHBondContact O-NE2 3.12Å
201L93.4Very high79.5Confident41 Ų4189.8 Ų89.822%0.21551%0.509CS..Hα-helixtrans-67.9-40.6174.7-169.765000112.2Y115 L119 Y122 M123 L197 I198 Q199 K203 Q204 S207Y115-L201 HydrophobicContact CD1-CD1 4.11Å; Y115-L201 HydrophobicContact CE1-CD1 3.78Å; L119-L201 HydrophobicContact CD1-CD1 4.45Å; L119-L201 HydrophobicContact CD2-CB 4.13Å; L119-L201 HydrophobicContact CD2-CD1 4.44Å; Y122-L201 HydrophobicContact CD1-CD2 4.42Å; Y122-L201 HydrophobicContact CE1-CD2 4.17Å; M123-L201 HydrophobicContact CG-CD1 4.36Å; M123-L201 HydrophobicContact CG-CD2 4.26Å; M123-L201 HydrophobicContact SD-CD1 3.81Å; M123-L201 HydrophobicContact SD-CD2 4.41Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 PolarHBondContact O-N 3.42Å; I198-L201 PolarHBondContact O-N 2.8Å; Q199-L201 VanDerWaalsContact C-N 3.34Å; Q199-L201 PolarHBondContact O-N 2.82Å; L201-K203 VanDerWaalsContact C-N 3.27Å; L201-K203 PolarHBondContact O-N 2.97Å; L201-Q204 PolarHBondContact O-N 2.98Å; L201-S207 PolarHBondContact O-OG 2.95Å
202K91.8Very high76.8Confident164 Ų16493.6 Ų93.671%0.71352%0.518SS*.Hα-helixtrans-67.1-23.8173.9-73.5-179.7178-1740113.8I198 Q199I198-K202 HydrophobicContact CG2-CD 4.38Å; I198-K202 WeakPolarHBondContact O-CG 3.5Å; I198-K202 PolarHBondContact O-N 3.14Å; Q199-K202 PolarHBondContact O-N 2.89Å
203K89.4Confident73.9Confident140 Ų14095.5 Ų95.561%0.60953%0.532SS*.THydrogen-bonded Turntrans-82.6-6176.9-77.8170.5171.2173.70113.9Q199 A200 L201Q199-K203 HydrophobicContact CG-CD 4.41Å; Q199-K203 WeakPolarHBondContact O-CB 3.33Å; Q199-K203 VanDerWaalsContact O-CG 3.31Å; Q199-K203 WeakPolarHBondContact O-CG 3.48Å; Q199-K203 PolarHBondContact O-N 3.49Å; A200-K203 PolarHBondContact O-N 2.97Å; L201-K203 VanDerWaalsContact C-N 3.27Å; L201-K203 PolarHBondContact O-N 2.97Å
204Q83.9Confident70.8Confident54 Ų5496.7 Ų96.725%0.25256%0.562SS.*SBendtrans-73.3134.4177.6-59.2-47.2-53.700110.8P114 Y115 L119 A200 L201 F206 S207P114-Q204 PolarHBondContact O-OE1 3.3Å; Y115-Q204 HydrophobicContact CD1-CG 4.03Å; Y115-Q204 HydrophobicContact CE1-CB 4.23Å; Y115-Q204 HydrophobicContact CE1-CG 3.96Å; L119-Q204 HydrophobicContact CD1-CG 3.9Å; A200-Q204 PolarHBondContact O-NE2 3.12Å; L201-Q204 PolarHBondContact O-N 2.98Å; Q204-F206 PolarHBondContact O-N 3.31Å; Q204-S207 PolarHBondContact O-N 3.44Å
205P66.8Low68Low101 Ų10199.4 Ų99.466%0.65659%0.588SS**THydrogen-bonded Turntrans-68.70.4-167.624.9-34.1000115.8
206F58.6Low65Low148 Ų148103.5 Ų103.565%0.64961%0.605SS**THydrogen-bonded Turntrans-125.59.8-176.1-57.2-67.7000114.3P114 Q204 S208P114-F206 HydrophobicContact CB-CD2 4.26Å; P114-F206 HydrophobicContact CG-CD2 4.02Å; Q204-F206 PolarHBondContact O-N 3.31Å; F206-S208 PolarHBondContact O-N 3.43Å
207S50Low62.5Low55 Ų55103.3 Ų103.339%0.38561%0.611SS.*  trans-74.749.8-178.4-65.90000114.3L201 Q204L201-S207 PolarHBondContact O-OG 2.95Å; Q204-S207 PolarHBondContact O-N 3.44Å
208S43.6Very low59.9Low123 Ų123108.6 Ų108.686%0.8665%0.646SS**  trans-149.642.6-179.8-69.60000114.1F206F206-S208 PolarHBondContact O-N 3.43Å
209A46.1Very low57.1Low100 Ų100113.7 Ų113.783%0.82667%0.668SS**  trans-151.945.7179.700000116.2
210S46.8Very low54.6Low119 Ų119119.1 Ų119.183%0.83269%0.686SS**  trans-158.792159-166.70000113
211S36.6Very low52.1Low124 Ų124125.8 Ų125.887%0.86772%0.716SS**  trans-17070.1163.5-79.90000108.6
212Q40.7Very low49.1Very low177 Ų177129.8 Ų129.883%0.82775%0.747SS**  trans-111.392.2176-81.5-73.15.400109.6
213N35.9Very low46.3Very low168 Ų168127.2 Ų127.290%0.89875%0.75SS**  trans174.7112.7148.5-92.6-24.2000109.1
214G32.2Very low43.9Very low80 Ų80126.6 Ų126.683%0.82576%0.758SS**  trans148.786.9-178.200000112
215S36.4Very low41.6Very low114 Ų114130.9 Ų130.980%0.79778%0.781SS**  trans-71.4133.1174.9-177.40000111
216L34.9Very low40.2Very low161 Ų161135.1 Ų135.184%0.84379%0.789SS**  177.2146.3117.2-91.6166.8000110.5
217S43.3Very low39.3Very low93 Ų93136.6 Ų136.665%0.6580%0.799SS**  trans-92.4123.9179.7-178.50000111.7H219S217-H219 PolarHBondContact O-N 3.08Å
218P41.7Very low38.5Very low122 Ų122140.5 Ų140.579%0.79282%0.815SS**  trans-95.576.1174.536.4-32000111.6
219H37.1Very low38.2Very low164 Ų164143.4 Ų143.476%0.75982%0.815SS**  trans-70.9140.4154.2-86.4-91.7000109.1S217S217-H219 PolarHBondContact O-N 3.08Å
220Y42.1Very low37.6Very low219 Ų219146.8 Ų146.886%0.85982%0.816SS**SBendtrans5997.2-176.8-81.5-105.1000115.5
221L41.7Very low37.1Very low174 Ų174152.7 Ų152.791%0.91182%0.82SS**  -177.283.1114.9-95-178.1000110.8
222S30.9Very low37.2Very low126 Ų126153.5 Ų153.588%0.88182%0.82SS**  trans-158.4104154-170.40000109.8
223S33.2Very low36.9Very low110 Ų110152.4 Ų152.477%0.76982%0.819SS**  trans-134.8149.6167.2-171.20000107.5
224V39.4Very low37Very low127 Ų127154.7 Ų154.777%0.7782%0.815SS**SBendtrans64.877-178.4-165.30000114.5
225L36.5Very low37.9Very low144 Ų144159.2 Ų159.275%0.75481%0.814SS**SBend-170.5157.8100.1-142.270.7000112.4
226K36.9Very low38.7Very low189 Ų189158.1 Ų158.182%0.82281%0.807SS**  trans56.363.1167.4-66.1-171.2177.3-178.50117.2N228K226-N228 PolarHBondContact O-N 2.96Å
227Q40.2Very low39.6Very low180 Ų180158.1 Ų158.184%0.84181%0.808SS**  -24.3112.9126.1172.8-178.2-1.400113.3
228N32.3Very low40.7Very low137 Ų137159.9 Ų159.973%0.73381%0.808SS**  trans-170.8120.2134.1-99.2-14.3000113.6K226K226-N228 PolarHBondContact O-N 2.96Å
229Q37.5Very low42.3Very low183 Ų183159.1 Ų159.186%0.85580%0.798SS**  trans33.895.5149.2-58.6-178.6-0.400120
230M33.6Very low43.8Very low172 Ų172154.7 Ų154.785%0.84779%0.79SS**  -161.1109.3119.6-113.5-64.4172.100110.3
231R36Very low44.9Very low243 Ų243146.9 Ų146.992%0.91777%0.77SS**  trans-128.5109.9166.3-89-173.6174.1149.6-0.2108L233R231-L233 PolarHBondContact O-N 3.19Å
232T38.2Very low46.5Very low140 Ų140140.8 Ų140.886%0.85975%0.745SS**  trans-72.3118.5168.140.80000109.1
233L35.1Very low48.5Very low154 Ų154136.8 Ų136.881%0.80672%0.72SS**  trans-141.299.1173.5-166143.1000110.3R231R231-L233 PolarHBondContact O-N 3.19Å
234R38.7Very low50.2Low216 Ų216137.9 Ų137.982%0.81571%0.714SS**  trans46.9112.5155.1-58.1-68.4165.4-176.2-5118.2S236R234-S236 PolarHBondContact O-N 2.98Å
235E49.6Very low51.6Low175 Ų175138.7 Ų138.782%0.81871%0.711SS**  trans-45.399.6152.7-96.363.5-155.400112.9
236S54.3Low53.3Low91 Ų91137.9 Ų137.964%0.63671%0.707SS**SBendtrans-160.9125.7149.252.20000107.3R234R234-S236 PolarHBondContact O-N 2.98Å
237D52.5Low54.7Low162 Ų162134.6 Ų134.687%0.86670%0.698SS**  trans59.671.6170.5-50.8-27000116.6D239D237-D239 PolarHBondContact O-N 3.4Å
238I66.9Low55.4Low130 Ų130131.3 Ų131.367%0.66769%0.686SS**  trans-71.6109.4160.4-61174.9000108.3A242I238-A242 HydrophobicContact CG2-CB 4.47Å
239D75.8Confident56.7Low106 Ų106129.8 Ų129.857%0.56768%0.682SS**  trans-57137.3174.1-176.9-1.6000111.4D237 A241 A242 A243D237-D239 PolarHBondContact O-N 3.4Å; D239-A241 PolarHBondContact O-N 2.88Å; D239-A241 VanDerWaalsContact O-N 3.17Å; D239-A241 PolarHBondContact OD1-N 3.48Å; D239-A242 WeakPolarHBondContact O-CB 3.37Å; D239-A242 PolarHBondContact O-N 3.1Å; D239-A243 PolarHBondContact O-N 2.9Å
240A68.9Low57.1Low71 Ų71125.9 Ų125.959%0.58767%0.674SS**Hα-helixtrans-55.3-30.5174.500000112.4A242 A243 M244A240-A242 PolarHBondContact O-N 3.22Å; A240-A243 PolarHBondContact O-N 3.04Å; A240-M244 WeakPolarHBondContact O-CB 3.26Å; A240-M244 WeakPolarHBondContact O-CG 3.27Å; A240-M244 PolarHBondContact O-N 3.4Å
241A64.4Low57.9Low54 Ų54122.7 Ų122.745%0.44666%0.66SS.*Hα-helixtrans-61.4-40.6173.200000112.7D239 M244 M245D239-A241 PolarHBondContact O-N 2.88Å; D239-A241 VanDerWaalsContact O-N 3.17Å; D239-A241 PolarHBondContact OD1-N 3.48Å; A241-M244 PolarHBondContact O-N 3.11Å; A241-M245 WeakPolarHBondContact O-CG 3.48Å; A241-M245 PolarHBondContact O-N 3.37Å; A241-M245 VanDerWaalsContact O-N 3.08Å
242A75.7Confident58.4Low47 Ų47119.9 Ų119.939%0.38866%0.657SS.*Hα-helixtrans-69.6-40.3178.100000111.8I238 D239 A240 M245 L246I238-A242 HydrophobicContact CG2-CB 4.47Å; D239-A242 WeakPolarHBondContact O-CB 3.37Å; D239-A242 PolarHBondContact O-N 3.1Å; A240-A242 PolarHBondContact O-N 3.22Å; A242-M245 PolarHBondContact O-N 3.2Å; A242-L246 PolarHBondContact O-N 3.06Å
243A73.2Confident58.8Low42 Ų42122.5 Ų122.535%0.34766%0.659SS.*Hα-helixtrans-62.8-43.2174.300000112.1D239 A240 M245 L246 L247D239-A243 PolarHBondContact O-N 2.9Å; A240-A243 PolarHBondContact O-N 3.04Å; A243-M245 PolarHBondContact O-N 3.45Å; A243-L246 PolarHBondContact O-N 3.32Å; A243-L247 WeakPolarHBondContact O-CG 3.45Å; A243-L247 PolarHBondContact O-N 3.4Å; A243-L247 VanDerWaalsContact O-N 3.12Å
244M68.6Low59.3Low133 Ų133117.7 Ų117.766%0.65565%0.647SS**Hα-helixtrans-60-43175.4-75.7-78.4-74.500112.3A240 A241 L247 N248A240-M244 WeakPolarHBondContact O-CB 3.26Å; A240-M244 WeakPolarHBondContact O-CG 3.27Å; A240-M244 PolarHBondContact O-N 3.4Å; A241-M244 PolarHBondContact O-N 3.11Å; M244-L247 PolarHBondContact O-N 3.23Å; M244-N248 PolarHBondContact O-N 3.27Å
245M69.3Low59.1Low143 Ų143114.4 Ų114.470%0.70464%0.644SS**Hα-helixtrans-62.4-44177.2-75.6-17072.500112.5A241 A242 A243 L247 N248 T249A241-M245 WeakPolarHBondContact O-CG 3.48Å; A241-M245 PolarHBondContact O-N 3.37Å; A241-M245 VanDerWaalsContact O-N 3.08Å; A242-M245 PolarHBondContact O-N 3.2Å; A243-M245 PolarHBondContact O-N 3.45Å; M245-L247 PolarHBondContact O-N 3.34Å; M245-N248 PolarHBondContact O-N 2.7Å; M245-T249 PolarHBondContact O-N 3.37Å
246L72.3Confident58.4Low128 Ų128114.4 Ų114.467%0.6765%0.649SS**Hα-helixtrans-61.1-45.3177.8-71.2172000111.6A242 A243 N248 T249A242-L246 PolarHBondContact O-N 3.06Å; A243-L246 PolarHBondContact O-N 3.32Å; L246-N248 VanDerWaalsContact C-N 3.34Å; L246-N248 PolarHBondContact O-N 2.81Å; L246-T249 PolarHBondContact O-N 3.06Å; L246-T249 PolarHBondContact O-OG1 3.19Å
247L65.6Low57.3Low119 Ų119118.9 Ų118.962%0.62366%0.66SS**Hα-helixtrans-60.6-42.3176.6-69.8171.2000112.1A243 M244 M245 T249 S250A243-L247 WeakPolarHBondContact O-CG 3.45Å; A243-L247 PolarHBondContact O-N 3.4Å; A243-L247 VanDerWaalsContact O-N 3.12Å; M244-L247 PolarHBondContact O-N 3.23Å; M245-L247 PolarHBondContact O-N 3.34Å; L247-T249 VanDerWaalsContact C-N 3.35Å; L247-T249 PolarHBondContact O-N 3.39Å; L247-S250 PolarHBondContact O-N 3.38Å
248N55.7Low56.2Low112 Ų112117.1 Ų117.160%0.59966%0.659SS**Hα-helixtrans-66.2-35.1-177.8-13948.1000112.6M244 M245 L246 S250 I251M244-N248 PolarHBondContact O-N 3.27Å; M245-N248 PolarHBondContact O-N 2.7Å; L246-N248 VanDerWaalsContact C-N 3.34Å; L246-N248 PolarHBondContact O-N 2.81Å; N248-S250 PolarHBondContact O-N 3.26Å; N248-I251 PolarHBondContact O-N 3.31Å
249T57.8Low54.6Low105 Ų105119.3 Ų119.364%0.64467%0.666SS**Hα-helixtrans-63.9-21.217660.40000114.1M245 L246 L247M245-T249 PolarHBondContact O-N 3.37Å; L246-T249 PolarHBondContact O-N 3.06Å; L246-T249 PolarHBondContact O-OG1 3.19Å; L247-T249 VanDerWaalsContact C-N 3.35Å; L247-T249 PolarHBondContact O-N 3.39Å
250S47.7Very low52.5Low100 Ų100122.9 Ų122.970%0.69968%0.677SS**THydrogen-bonded Turntrans-87.3-1.9178.7-167.20000113.9L247 N248L247-S250 PolarHBondContact O-N 3.38Å; N248-S250 PolarHBondContact O-N 3.26Å
251I49.1Very low51.2Low105 Ų105125 Ų12554%0.53869%0.685SS.*THydrogen-bonded Turntrans-99.9-33.1-174.7-65.3172.8000112N248 Q253 G254N248-I251 PolarHBondContact O-N 3.31Å; I251-Q253 VanDerWaalsContact C-N 3.28Å; I251-Q253 PolarHBondContact O-N 3.48Å; I251-G254 PolarHBondContact O-N 2.99Å
252E47.6Very low49.8Very low185 Ų185129.5 Ų129.586%0.86470%0.7SS**THydrogen-bonded Turntrans-72.2-12.4-177.1-70.6-141.9132.900115.4G254E252-G254 VanDerWaalsContact C-N 3.31Å; E252-G254 PolarHBondContact O-N 3.31Å
253Q46Very low48.1Very low194 Ų194133.3 Ų133.391%0.90772%0.721SS**THydrogen-bonded Turntrans-89.711.9175.8-65-165-2.300113.9I251I251-Q253 VanDerWaalsContact C-N 3.28Å; I251-Q253 PolarHBondContact O-N 3.48Å
254G45.6Very low46.3Very low53 Ų53138.4 Ų138.455%0.54674%0.742SS.*SBendtrans-16163.6-176.400000116.6I251 E252I251-G254 PolarHBondContact O-N 2.99Å; E252-G254 VanDerWaalsContact C-N 3.31Å; E252-G254 PolarHBondContact O-N 3.31Å
255I34.7Very low44.7Very low148 Ų148141 Ų14176%0.75975%0.749SS**  trans-156.3110.9145.8-96.5139.5000110.8
256L34.8Very low43Very low174 Ų174140.6 Ų140.691%0.91176%0.755SS**  trans-145.9120.3152.3-67.6177000104.1
257E32Very low41.2Very low186 Ų186138.5 Ų138.587%0.86976%0.756SS**  cis-131.1164.3-6.4-56.1175.3102.700109.2
258C28.4Very low39.6Very low125 Ų125140.7 Ų140.785%0.84577%0.768SS**  trans-162.8126146.5-161.80000111.4
259E32.8Very low38.7Very low176 Ų176144.2 Ų144.282%0.82278%0.78SS**  trans-112166.6177.2-114.4-85.764.100112
260K31.8Very low37.6Very low180 Ų180149.4 Ų149.478%0.78379%0.794SS**  trans-85.1179.2-172.6-80.9172.2172.6168.60113.8
261P42.4Very low37.1Very low117 Ų117153.9 Ų153.976%0.7680%0.801SS**  cis-133.5-171.8-48.939.4-22.8000112.9
262L35.1Very low36.3Very low148 Ų148159 Ų15978%0.77581%0.814SS**  trans-60.3154.8178.9-71.6161.9000115.6
263P39.7Very low35.4Very low127 Ų127155.9 Ų155.983%0.82581%0.812SS**  -132.6169.898.138.7-30.9000115.9
264L35.9Very low34.9Very low148 Ų148156.3 Ų156.378%0.77581%0.807SS**  trans-90.4150.1-170-65.5157.5000114.8
265K34.7Very low34.2Very low187 Ų187157.2 Ų157.281%0.81382%0.816SS**  174.6138.4118.6-96.5161.5-176176.40115.2
266T33.9Very low34.1Very low136 Ų136157.7 Ų157.783%0.83482%0.821SS**  trans60154.8151.253.90000120.3
267A33.5Very low34.1Very low83 Ų83152.9 Ų152.969%0.68681%0.806SS**  cis-169.7166.1-2600000110.7
268L32.5Very low34.2Very low165 Ų165153.1 Ų153.186%0.86480%0.804SS**  trans64.9106.8157.1-73.2166.5000121.9
269Q37Very low34.4Very low186 Ų186155.6 Ų155.687%0.86980%0.803SS**  trans-16.5143.2146.7-49170.27.500119.4
270K34.6Very low34.6Very low214 Ų214155.5 Ų155.593%0.9380%0.802SS**  -155.6172.9125.1-132.6172-173.4175.40114.7
271K37Very low35.4Very low195 Ų195152.9 Ų152.985%0.84880%0.804SS**  trans-98138.2-165.1-82.6179.7176.9176.30114.4
272R32.2Very low34.9Very low213 Ų213152.8 Ų152.880%0.80481%0.806SS**  37126.2120.2-174.9-169.5-170.8120.2-4.6119.6
273S28.9Very low34.8Very low118 Ų118150.1 Ų150.183%0.82581%0.805SS**  -161.7173.1126.4-150.50000113.6
274Y34.6Very low34.5Very low203 Ų203151 Ų15180%0.79681%0.808SS**  trans-97.6163.7-178.6-78.5-115.2000112.5
275G31.3Very low34.2Very low73 Ų73153.9 Ų153.975%0.75381%0.808SS**  trans-161.3149.1168.200000112.2
276N32.5Very low34Very low158 Ų158151.4 Ų151.485%0.84580%0.803SS**  trans-118.6139-167.4-92.62000114.6
277A35.6Very low33.9Very low73 Ų73152.5 Ų152.560%0.60380%0.799SS**  trans51.7152.4130.800000124.4
278F33.7Very low33.7Very low190 Ų190157.7 Ų157.783%0.83381%0.809SS**  trans66126167.4-48.2-77000116.5
279H32.2Very low33.8Very low177 Ų177154.7 Ų154.782%0.81980%0.802SS**  -171.4161.761.5-115.2-83000112.4
280H38.5Very low33.5Very low174 Ų174152.3 Ų152.381%0.80680%0.795SS**  trans-95.4153.7155-72.2-88.1000110.8
281P47.8Very low33.5Very low125 Ų125147 Ų14781%0.81279%0.785SS**  -132.8-171.6126.139.1-29.4000113
282S31.9Very low33.4Very low115 Ų115145.6 Ų145.680%0.80479%0.786SS**  trans-135.5163.3-157.8-48.70000115.7
283A32Very low33.4Very low93 Ų93139.1 Ų139.177%0.76978%0.778SS**  trans83.3172.8146.300000120.7
284V34.9Very low33.8Very low144 Ų144139.7 Ų139.787%0.87378%0.776SS**  trans82.3143.1177.2-167.60000115.8
285R28.6Very low33.6Very low210 Ų210134.8 Ų134.879%0.79277%0.772SS**  173.2129.3-55.3167.6179.4-163.5-162.57110
286L31.8Very low34.2Very low135 Ų135138.6 Ų138.671%0.70777%0.773SS**  trans62.7166.5169.8-65.7168.8000114.7
287Q31.1Very low35Very low159 Ų159137.8 Ų137.874%0.74377%0.769SS**  cis-176.6126.2-29.5167.3-173.11.900107.8
288E29.5Very low35.8Very low192 Ų192139.3 Ų139.390%0.89777%0.773SS**  trans-168.1173.3148.7-118.3173.7143.100113.6
289S33.9Very low35.9Very low101 Ų101139 Ų13971%0.70677%0.771SS**  trans-76.1177.4-171-43.40000113.5
290D31.6Very low36.7Very low136 Ų136139.3 Ų139.373%0.72777%0.773SS**  cis-159.216322-141.3-50.1000114.5
291S33.4Very low36.8Very low103 Ų103137.6 Ų137.672%0.7277%0.77SS**  trans29124.7154.4-67.40000122.7
292L35.3Very low37.3Very low166 Ų166139.1 Ų139.187%0.86977%0.766SS**  172.1117.5101.4-174.763.9000115.3
293A33.1Very low38Very low77 Ų77139.9 Ų139.964%0.63676%0.761SS**  trans46.9152.514800000125.3
294T35.9Very low38.3Very low129 Ų129145.3 Ų145.379%0.79176%0.763SS**  trans63.5119.5168.756.40000117.2
295S31.9Very low38.9Very low101 Ų101143.1 Ų143.171%0.70675%0.754SS**  cis73.8128.842.187.50000113.2
296I42.2Very low39.2Very low152 Ų152138.1 Ų138.178%0.77976%0.757SS**  cis-145.4141.720.3-66.3168.4000110.6P298I296-P298 HydrophobicContact CG2-CG 4.36Å
297D49.2Very low39.4Very low142 Ų142137.2 Ų137.276%0.75976%0.763SS**  trans-154.4122.2149.6-179.832.6000110
298P53.8Low39.5Very low105 Ų105135.6 Ų135.668%0.68277%0.769SS**  trans-120.3108.417234.1-17000111.7I296I296-P298 HydrophobicContact CG2-CG 4.36Å
299K35.9Very low39.9Very low184 Ų184135.2 Ų135.280%0.877%0.769SS**  trans-64.5158.9163.6-81.5-171.4170.6-171.70112.3
300E48.5Very low39.9Very low183 Ų183135.2 Ų135.286%0.85578%0.776SS**  trans-49.1143.6160-55159.1104.600111.5
301D41.2Very low40.3Very low138 Ų138133.8 Ų133.874%0.73878%0.782SS**  -167164.3125.5-128.9-39.9000115.7
302H56.9Low40.6Very low157 Ų157137.4 Ų137.473%0.72779%0.788SS**  trans7369.3153.1-58.5-3.7000121.8
303N48.1Very low40.8Very low131 Ų131140.5 Ų140.570%0.70179%0.788SS**  9118.7117.1-178.832.5000120.5
304Y37.3Very low41.1Very low206 Ų206143.1 Ų143.181%0.80880%0.8SS**  -169.4156.5112.3-123.2-88.1000115.9
305S48.1Very low41.1Very low99 Ų99141.6 Ų141.669%0.69280%0.8SS**  trans-55.9154.4-167.8-45.10000121.1
306A35.2Very low41.2Very low104 Ų104142 Ų14286%0.8680%0.803SS**  trans-156.6151.3134.200000113.3
307S34.8Very low41.1Very low117 Ų117145.7 Ų145.782%0.81881%0.808SS**  trans-82.4155-170.7-44.60000115.8
308S34.1Very low40.5Very low124 Ų124143.6 Ų143.687%0.86780%0.804SS**  179.4-178.5112.453.60000113.1
309M37.1Very low39.8Very low184 Ų184143.4 Ų143.491%0.90681%0.805SS**  trans-96-179.7-154.5-58.7-17372.700115.9
310A34Very low39.9Very low102 Ų102140.6 Ų140.684%0.84380%0.803SS**  trans86.890.9151.600000118.4
311A40.7Very low39.2Very low105 Ų105136.8 Ų136.887%0.86880%0.797SS**  trans-126.384.2156.300000110.3
312Q38.7Very low39.1Very low180 Ų180134.9 Ų134.984%0.84179%0.794SS**  trans-72.8136.6161.8-70.2176.7-33.300109.4
313R40Very low38.2Very low231 Ų231135 Ų13587%0.87280%0.799SS**  trans-163.6114.4146.8-110.9164.9-165.589.7-5.8113
314C38.5Very low37.8Very low132 Ų132133.7 Ų133.789%0.89280%0.801SS**  trans38.5128.5144.8-52.40000121
315A36.3Very low38.2Very low96 Ų96129 Ų12979%0.79380%0.798SS**  trans-107.5152.4171.400000112.8
316S35.3Very low38Very low110 Ų110130.5 Ų130.577%0.76980%0.802SS**  trans-169.2137.5145.2-79.50000107.3
317R38.8Very low38.4Very low230 Ų230132.3 Ų132.387%0.86880%0.798SS**  65.7131.450.2-63.1-169.876-179.72.9111.7
318S36.9Very low39Very low97 Ų97134.5 Ų134.568%0.67880%0.795SS**  cis-167.5-168.2-7.2-162.10000109.3
319S40.3Very low39.2Very low102 Ų102135.1 Ų135.171%0.71379%0.793SS**  trans76.3150.1156.3-53.80000118.3
320V38Very low39.2Very low125 Ų125134.6 Ų134.676%0.75878%0.782SS**  cis-156.9160.9-15.2-1020000111
321S33.6Very low39.5Very low103 Ų103137.3 Ų137.372%0.7278%0.778SS**  trans-2.8166.1136.4-300000120.3
322S38.2Very low39.4Very low98 Ų98139.8 Ų139.869%0.68577%0.769SS**  cis-175175.118.5-142.60000114.5
323L37.4Very low39.7Very low159 Ų159137.6 Ų137.683%0.83276%0.762SS**  trans68161152.7-65.8166.7000119.5
324S40Very low40.3Very low104 Ų104131.6 Ų131.673%0.72775%0.753SS**  cis-175.7170.2-17.552.80000109.3
325S45.9Very low40.8Very low108 Ų108135 Ų13576%0.75575%0.752SS**  cis-130.8-132.7-3.6-153.80000109.7
326V44.4Very low40.6Very low129 Ų129137.8 Ų137.878%0.78275%0.754SS**  cis-1461489.4-83.80000107.8
327D43.8Very low40.8Very low142 Ų142138.2 Ų138.276%0.75976%0.757SS**  87.8127.459-146.597000113.7
328E46.1Very low40.9Very low164 Ų164135.7 Ų135.777%0.76676%0.755SS**  cis-162-168.6-24.1179.5154-147.800108.3
329V39.6Very low40.8Very low136 Ų136137.6 Ų137.682%0.82476%0.762SS**  trans90.3133.1163.9-178.20000116
330Y36.6Very low40.6Very low174 Ų174135.6 Ų135.668%0.68276%0.757SS**  cis-169.9142.7-20-161.6-115.9000104.9
331E41.3Very low40.6Very low159 Ų159135.3 Ų135.374%0.74376%0.761SS**  17312476.9-167.8161.5-150.600106
332F38.5Very low40.9Very low156 Ų156137.9 Ų137.968%0.68477%0.767SS**  62.4130.889.9-116.2-134.5000115.4
333I45.1Very low40.9Very low135 Ų135136.1 Ų136.169%0.69276%0.764SS**  cis-136.5-79.32.7-4.7177.9000117.2
334P52.1Low41.2Very low105 Ų105133 Ų13368%0.68276%0.755SS**  trans-124.6163.4-135.239-24.4000119.3
335K48.4Very low41.2Very low203 Ų203136.5 Ų136.588%0.88376%0.76SS**  trans-92.8147166.1-60170.3-179.8173.90110.4
336N32.3Very low41Very low155 Ų155134.1 Ų134.183%0.82975%0.753SS**  trans-116150.8163.3-68.533.2000109.7
337S40.2Very low40.7Very low118 Ų118138 Ų13883%0.82576%0.76SS**  trans-146.6159.8-179.257.20000112.9
338H40Very low40.5Very low178 Ų178139.4 Ų139.482%0.82476%0.762SS**  trans91.7147.8163.5-149.7-95.7000118.8
339V35.5Very low40.7Very low136 Ų136137 Ų13782%0.82476%0.763SS**  trans68.2135.5-177.2-162.80000114.4
340G35.1Very low40.8Very low61 Ų61138.6 Ų138.663%0.62976%0.761SS**  cis172.6-173.6-400000111.7
341S39.5Very low41.3Very low119 Ų119139.4 Ų139.483%0.83277%0.771SS**  trans69.7133.1-173.3-144.50000114.4
342D38.8Very low41.5Very low157 Ų157138.6 Ų138.684%0.8477%0.772SS**  cis90.7130.718-160.127.6000116.3
343G38.9Very low42.2Very low61 Ų61137.1 Ų137.163%0.62978%0.776SS**  trans69.8154.7179.800000118.1
344S42.3Very low42.3Very low93 Ų93138 Ų13865%0.6578%0.782SS**  cis-168.8165.7-28.654.80000109.4
345E41.6Very low42.2Very low177 Ų177139.1 Ų139.183%0.82779%0.787SS**  trans65.4143.9156.5-62.4153.1-100.500119.5
346G41.3Very low42.3Very low59 Ų59136.5 Ų136.561%0.60878%0.782SS**  cis13617.5-0.400000115.9H348G346-H348 PolarHBondContact O-N 3.5Å
347F37.7Very low42.9Very low209 Ų209139.5 Ų139.592%0.91778%0.784SS**  trans-7196.2-174-78.2-79.9000113.6
348H40.3Very low43.8Very low173 Ų173142.5 Ų142.580%0.80178%0.784SS**  trans-68156.1146.9-73.9-112.8000109.9G346G346-H348 PolarHBondContact O-N 3.5Å
349S49.5Very low44.2Very low114 Ų114140.3 Ų140.380%0.79778%0.779SS**  trans-140.5106.8160.456.40000107.2
350E41.9Very low45.1Very low168 Ų168141.5 Ų141.579%0.78578%0.781SS**  trans-76149.917558.2-101.782.900112.6
351E47.3Very low46.5Very low191 Ų191142.5 Ų142.589%0.89378%0.776SS**  trans-144.5120.1156.1-164.2167.1139.900107.9
352D44.8Very low47.2Very low142 Ų142145.3 Ų145.376%0.75978%0.781SS**  trans-74.3142.7-177.7-81.6-44.5000112.2
353T53.2Low47.2Very low125 Ų125141.1 Ų141.177%0.76778%0.775SS**  trans-153.199.7149.1-440000111.1
354D46.8Very low47.2Very low154 Ų154146 Ų14682%0.82479%0.787SS**  trans-69.9123.4166.1-72.9-51.4000110.7
355V50.9Low47.3Very low129 Ų129147.3 Ų147.378%0.78280%0.796SS**  trans-150.4147144.5-123.90000111.7
356D49.8Very low47.1Very low147 Ų147141.5 Ų141.579%0.78678%0.784SS**  trans-54149.5-160-56.6-78.5000118.9
357Y45.3Very low47Very low219 Ų219150.2 Ų150.286%0.85980%0.8SS**  trans-77.2137.1160.1-113.7-105000109.9
358E59.9Low46.9Very low180 Ų180144.3 Ų144.384%0.84179%0.789SS**  trans-120.7138156.9-80.2-67.2167.700108.9
359D48.3Very low47Very low132 Ų132141.4 Ų141.471%0.70679%0.788SS**  trans-103.7114.5-170.7-170.2-106.5000109.9
360D53.1Low46.6Very low162 Ų162144 Ų14487%0.86679%0.788SS**  trans-126.883.5-178.5-151-0.9000110.7
361P65.1Low46.8Very low81 Ų81141.4 Ų141.453%0.52679%0.786SS.*  trans-84.9175.8175.935.1-34.8000112
362L54.4Low46.3Very low178 Ų178137.8 Ų137.893%0.93278%0.78SS**  trans78.7145.6-171.5-45.2171.9000113.5
363G39.2Very low45.8Very low70 Ų70135 Ų13572%0.72278%0.777SS**  cis170.7137.3-7.700000112.9
364D39.1Very low45Very low163 Ų163138.8 Ų138.887%0.87278%0.783SS**  trans28.4108158.5-169.326.9000120.4
365S44.8Very low44.4Very low121 Ų121139.4 Ų139.485%0.84678%0.784SS**  trans176.6139.2136.6-179.70000110.2
366G36.6Very low43.7Very low55 Ų55138.2 Ų138.257%0.56778%0.781SS**  cis152.7106.3-4.500000112.5
367Y38Very low43Very low242 Ų242138.1 Ų138.195%0.94978%0.777SS**  trans63.5155.5172.7-88.9-117.3000116.3
368A36.8Very low42.6Very low84 Ų84136.1 Ų136.169%0.69477%0.772SS**  cis-139.1161.8-1.900000111.5
369S41.7Very low41.4Very low112 Ų112131.4 Ų131.478%0.78377%0.772SS**  trans-133.2168.9165-82.10000109.5
370Q40.9Very low41Very low168 Ų168134.1 Ų134.179%0.78578%0.78SS**  trans72.9158.9176.4-63.3-76.3-15.600114.8
371P46.2Very low40.3Very low115 Ų115132.7 Ų132.775%0.74778%0.783SS**  cis-116.2147.97.938.8-27.1000116.8
372C38.2Very low38.9Very low114 Ų114132.3 Ų132.377%0.7779%0.794SS**  trans-81117.8154.7-1770000109.3
373A33.2Very low38.7Very low83 Ų83134.2 Ų134.269%0.68680%0.795SS**  trans-110.9118.6176.800000111.2
374K37.1Very low39.2Very low206 Ų206139.8 Ų139.890%0.89680%0.799SS**  trans-81122.8168-68.8179-179.6175.90109.4
375I33.8Very low39.5Very low166 Ų166140.3 Ų140.385%0.85180%0.798SS**  trans-131.2134.9158.3-58.8-178.9000107.7
376S35.3Very low39.5Very low104 Ų104144.9 Ų144.973%0.72780%0.797SS**  trans-121.9120.6172.91620000108.3
377E35.9Very low40.1Very low146 Ų146150.1 Ų150.168%0.68280%0.804SS**  trans-177.8164.4132.9-92.7-104.183.500112
378K37.9Very low40.6Very low177 Ų177145.7 Ų145.777%0.7779%0.792SS**  trans-37.8144.4-178.1-55.7155.3-173.1112.90117.5
379G33.2Very low41Very low81 Ų81145.2 Ų145.284%0.83578%0.781SS**  trans179.6143.2159.900000113.3
380Q40Very low41.5Very low188 Ų188143 Ų14388%0.87976%0.764SS**  trans-114.3158.9-177.9-81.2-169.6-11.900114.1
381S38.8Very low42.3Very low132 Ų132141.1 Ų141.192%0.92376%0.755SS**  trans83.5140.6159.883.90000118.2
382G35.6Very low42.8Very low73 Ų73141.9 Ų141.975%0.75375%0.749SS**  trans163.435.8-175.800000116.7K384G382-K384 PolarHBondContact O-N 3.05Å
383K50.4Low44.2Very low219 Ų219141.2 Ų141.295%0.95274%0.737SS**THydrogen-bonded Turntrans-70.582.2-176.1-67.2-178.9-178.6176.30113.1
384K48.9Very low46.2Very low187 Ų187142.1 Ų142.181%0.81373%0.73SS**THydrogen-bonded Turntrans-130.9-46.5168.5-84.6-171.8173.3-179.10115.8G382 R386 K387G382-K384 PolarHBondContact O-N 3.05Å; K384-R386 VanDerWaalsContact C-N 3.27Å; K384-R386 PolarHBondContact O-N 3.16Å; K384-K387 PolarHBondContact O-N 3.09Å
385M46.6Very low48.1Very low174 Ų174137.4 Ų137.486%0.85771%0.711SS**Hα-helixtrans-72.3-6.2-162.4-151.9154.275.600116.8
386R45.2Very low50.2Low216 Ų216136 Ų13682%0.81570%0.701SS**Hα-helixtrans-95.3-8.9179.1-169.3168.4177.2174.91.1114.7K384K384-R386 VanDerWaalsContact C-N 3.27Å; K384-R386 PolarHBondContact O-N 3.16Å
387K49.2Very low52.5Low165 Ų165136.6 Ų136.672%0.71770%0.696SS**Hα-helixtrans-81-36.4177.9-91.5-164169.1-165.90113.3K384 C390 Q391K384-K387 PolarHBondContact O-N 3.09Å; K387-C390 PolarHBondContact O-N 2.93Å; K387-Q391 WeakPolarHBondContact O-CG 3.2Å; K387-Q391 PolarHBondContact O-N 3.48Å
388Q48Very low54.5Low149 Ų149135.4 Ų135.470%0.69669%0.688SS**Hα-helixtrans-65.9-50-172.4-169.1165.7-9.700111.9C390 Q391 E392Q388-C390 VanDerWaalsContact C-N 3.3Å; Q388-C390 PolarHBondContact O-N 3.03Å; Q388-Q391 PolarHBondContact O-N 3.45Å; Q388-Q391 VanDerWaalsContact O-N 3.09Å; Q388-E392 PolarHBondContact O-N 3.24Å
389T45.8Very low56.7Low74 Ų74133.8 Ų133.845%0.45468%0.683SS.*Hα-helixtrans-61.4-32.8176.811.50000113.6I393T389-I393 WeakPolarHBondContact O-CD1 3.44Å; T389-I393 VanDerWaalsContact O-CG1 3.27Å; T389-I393 WeakPolarHBondContact O-CG1 3.46Å; T389-I393 PolarHBondContact O-N 3.18Å
390C51.7Low59.3Low65 Ų65132.2 Ų132.244%0.43966%0.663SS.*Hα-helixtrans-70.6-36.3174.2-68.50000112.5K387 Q388 D394K387-C390 PolarHBondContact O-N 2.93Å; Q388-C390 VanDerWaalsContact C-N 3.3Å; Q388-C390 PolarHBondContact O-N 3.03Å; C390-D394 WeakPolarHBondContact O-CB 3.49Å; C390-D394 PolarHBondContact O-N 3.32Å
391Q56.8Low61.4Low129 Ų129125.4 Ų125.460%0.60364%0.639SS**Hα-helixtrans-71.7-31.5177.4-68.3-177.8-79.800112.6K387 Q388 E395K387-Q391 WeakPolarHBondContact O-CG 3.2Å; K387-Q391 PolarHBondContact O-N 3.48Å; Q388-Q391 PolarHBondContact O-N 3.45Å; Q388-Q391 VanDerWaalsContact O-N 3.09Å; Q391-E395 PolarHBondContact O-N 3.21Å; Q391-E395 VanDerWaalsContact O-N 3.16Å
392E58.1Low63.5Low131 Ų131119.6 Ų119.661%0.61260%0.6SS**Hα-helixtrans-65.5-47.9174.9-167.1163.3-152.800111.1Q388 D394 E395 E396Q388-E392 PolarHBondContact O-N 3.24Å; E392-D394 PolarHBondContact O-N 3.19Å; E392-E395 PolarHBondContact O-N 3.42Å; E392-E396 PolarHBondContact O-N 3.39Å
393I66.1Low66Low100 Ų100119.3 Ų119.351%0.51359%0.586SS.*Hα-helixtrans-64.1-39.7175.1-64.2164.2000111.8T389 E395 E396 L397T389-I393 WeakPolarHBondContact O-CD1 3.44Å; T389-I393 VanDerWaalsContact O-CG1 3.27Å; T389-I393 WeakPolarHBondContact O-CG1 3.46Å; T389-I393 PolarHBondContact O-N 3.18Å; I393-E395 VanDerWaalsContact C-N 3.32Å; I393-E395 PolarHBondContact O-N 3.39Å; I393-E396 PolarHBondContact O-N 3.05Å; I393-L397 WeakPolarHBondContact O-CB 3.16Å; I393-L397 PolarHBondContact O-N 3.39Å
394D76.3Confident67.6Low103 Ų103114.5 Ų114.555%0.55157%0.57SS**Hα-helixtrans-63.5-35.8177.6-80.4-18.7000112.2C390 E392 K398C390-D394 WeakPolarHBondContact O-CB 3.49Å; C390-D394 PolarHBondContact O-N 3.32Å; E392-D394 PolarHBondContact O-N 3.19Å; D394-K398 WeakPolarHBondContact O-CB 3.42Å; D394-K398 PolarHBondContact O-N 2.83Å
395E76.4Confident69.2Low106 Ų106109.6 Ų109.650%0.49555%0.552SS.*Hα-helixtrans-77.6-40.1176.8-73.2-65.3146.900112.5Q391 E392 I393 K398 E399Q391-E395 PolarHBondContact O-N 3.21Å; Q391-E395 VanDerWaalsContact O-N 3.16Å; E392-E395 PolarHBondContact O-N 3.42Å; I393-E395 VanDerWaalsContact C-N 3.32Å; I393-E395 PolarHBondContact O-N 3.39Å; E395-K398 CarbonylContact O-C 3.6Å; E395-K398 WeakPolarHBondContact O-CB 3.3Å; E395-K398 PolarHBondContact O-N 3.01Å; E395-K398 IonicContact OE1-NZ 2.6Å; E395-K398 PolarHBondContact OE1-NZ 3.22Å; E395-K398 IonicContact OE2-NZ 2.64Å; E395-K398 PolarHBondContact OE2-NZ 3.23Å; E395-E399 PolarHBondContact O-N 2.86Å
396E77.9Confident70.8Confident137 Ų137107.5 Ų107.564%0.6454%0.54SS*.Hα-helixtrans-60.6-45.3172.9-173.5-176.8-173.400111.4E392 I393 K398 E399 A400E392-E396 PolarHBondContact O-N 3.39Å; I393-E396 PolarHBondContact O-N 3.05Å; E396-K398 VanDerWaalsContact C-N 3.27Å; E396-K398 PolarHBondContact O-N 3.46Å; E396-E399 PolarHBondContact O-N 2.97Å; E396-A400 WeakPolarHBondContact O-CB 3.15Å; E396-A400 PolarHBondContact O-N 2.97Å
397L84.1Confident72.6Confident116 Ų116104.5 Ų104.561%0.60754%0.539SS*.Hα-helixtrans-61.4-36.3176.1-178.761.8000112.1I393 A401I393-L397 WeakPolarHBondContact O-CB 3.16Å; I393-L397 PolarHBondContact O-N 3.39Å; L397-A401 VanDerWaalsContact O-CB 3.29Å; L397-A401 WeakPolarHBondContact O-CB 3.48Å; L397-A401 PolarHBondContact O-N 3.42Å
398K78.4Confident73.9Confident122 Ų12299.7 Ų99.753%0.5353%0.531SS..Hα-helixtrans-73.5-33.8177.4170171159.6-113.10112.4D394 E395 E396 G402D394-K398 WeakPolarHBondContact O-CB 3.42Å; D394-K398 PolarHBondContact O-N 2.83Å; E395-K398 CarbonylContact O-C 3.6Å; E395-K398 WeakPolarHBondContact O-CB 3.3Å; E395-K398 PolarHBondContact O-N 3.01Å; E395-K398 IonicContact OE1-NZ 2.6Å; E395-K398 PolarHBondContact OE1-NZ 3.22Å; E395-K398 IonicContact OE2-NZ 2.64Å; E395-K398 PolarHBondContact OE2-NZ 3.23Å; E396-K398 VanDerWaalsContact C-N 3.27Å; E396-K398 PolarHBondContact O-N 3.46Å; K398-G402 PolarHBondContact O-N 2.87Å
399E83.9Confident75.3Confident142 Ų14294.3 Ų94.366%0.66452%0.515SS*.Hα-helixtrans-69.3-47169.8-176.3163.9-175.100111.4E395 E396 A401 G402 S403E395-E399 PolarHBondContact O-N 2.86Å; E396-E399 PolarHBondContact O-N 2.97Å; E399-A401 PolarHBondContact O-N 3.35Å; E399-G402 CarbonylContact O-C 3.56Å; E399-G402 VanDerWaalsContact O-CA 3.3Å; E399-G402 WeakPolarHBondContact O-CA 3.47Å; E399-G402 PolarHBondContact O-N 3.21Å; E399-S403 PolarHBondContact O-N 3.19Å; E399-S403 PolarHBondContact O-OG 2.68Å
400A87.3Confident76.5Confident49 Ų4994.8 Ų94.841%0.40551%0.514SS..Hα-helixtrans-58.3-48176.800000112.2E396 G402 S403 L404E396-A400 WeakPolarHBondContact O-CB 3.15Å; E396-A400 PolarHBondContact O-N 2.97Å; A400-G402 VanDerWaalsContact C-N 3.28Å; A400-G402 PolarHBondContact O-N 3.45Å; A400-S403 PolarHBondContact O-N 3.18Å; A400-L404 WeakPolarHBondContact O-CG 3.49Å; A400-L404 PolarHBondContact O-N 2.92Å
401A83.3Confident77Confident45 Ų4598.6 Ų98.637%0.37252%0.519SS..Hα-helixtrans-60.8-38.917200000111.9L397 E399 S403 L404 L405L397-A401 VanDerWaalsContact O-CB 3.29Å; L397-A401 WeakPolarHBondContact O-CB 3.48Å; L397-A401 PolarHBondContact O-N 3.42Å; E399-A401 PolarHBondContact O-N 3.35Å; A401-S403 VanDerWaalsContact C-N 3.31Å; A401-S403 PolarHBondContact O-N 3.1Å; A401-L404 PolarHBondContact O-N 2.94Å; A401-L405 WeakPolarHBondContact O-CB 3.35Å; A401-L405 WeakPolarHBondContact O-CG 3.29Å; A401-L405 PolarHBondContact O-N 3.43Å
402G82.7Confident77.1Confident10 Ų1097.4 Ų97.410%0.10352%0.521CS..Hα-helixtrans-61-35.2174.400000113.8K398 E399 A400 H406 R411K398-G402 PolarHBondContact O-N 2.87Å; E399-G402 CarbonylContact O-C 3.56Å; E399-G402 VanDerWaalsContact O-CA 3.3Å; E399-G402 WeakPolarHBondContact O-CA 3.47Å; E399-G402 PolarHBondContact O-N 3.21Å; A400-G402 VanDerWaalsContact C-N 3.28Å; A400-G402 PolarHBondContact O-N 3.45Å; G402-H406 PolarHBondContact O-N 3.18Å; G402-R411 VanDerWaalsContact CA-NH2 3.34Å; G402-R411 PolarHBondContact O-NE 2.94Å; G402-R411 PolarHBondContact O-NH2 3.13Å; G402-R411 VanDerWaalsContact O-NH2 3.1Å
403S88.2Confident76.9Confident67 Ų6794.7 Ų94.747%0.46952%0.515SS..Hα-helixtrans-79.7-38.4178.1-70.50000112.2E399 A400 A401 L405 H406 L407E399-S403 PolarHBondContact O-N 3.19Å; E399-S403 PolarHBondContact O-OG 2.68Å; A400-S403 PolarHBondContact O-N 3.18Å; A401-S403 VanDerWaalsContact C-N 3.31Å; A401-S403 PolarHBondContact O-N 3.1Å; S403-L405 VanDerWaalsContact C-N 3.33Å; S403-L405 PolarHBondContact O-N 2.6Å; S403-H406 WeakPolarHBondContact O-CA 3.49Å; S403-H406 WeakPolarHBondContact O-CB 3.33Å; S403-H406 PolarHBondContact O-N 3.36Å; S403-L407 PolarHBondContact O-N 2.81Å
404L85.1Confident76.5Confident118 Ų11895 Ų9562%0.61852%0.517SS*.Hα-helixtrans-59.5-42.2170.6-71.6169.7000111.8A400 A401 H406 L407 A408A400-L404 WeakPolarHBondContact O-CG 3.49Å; A400-L404 PolarHBondContact O-N 2.92Å; A401-L404 PolarHBondContact O-N 2.94Å; L404-H406 PolarHBondContact O-N 3.35Å; L404-L407 PolarHBondContact O-N 3.1Å; L404-A408 WeakPolarHBondContact O-CB 3.36Å; L404-A408 PolarHBondContact O-N 3.03Å
405L83.1Confident75.7Confident83 Ų8392.2 Ų92.244%0.43551%0.513SS..Hα-helixtrans-69.2-18174.1-70172.8000114A401 S403 I410 R411A401-L405 WeakPolarHBondContact O-CB 3.35Å; A401-L405 WeakPolarHBondContact O-CG 3.29Å; A401-L405 PolarHBondContact O-N 3.43Å; S403-L405 VanDerWaalsContact C-N 3.33Å; S403-L405 PolarHBondContact O-N 2.6Å; L405-I410 HydrophobicContact CD2-CB 4.24Å; L405-I410 HydrophobicContact CD2-CD1 3.97Å; L405-I410 HydrophobicContact CD2-CG2 4.2Å; L405-I410 PolarHBondContact O-N 3.3Å; L405-R411 HydrophobicContact CB-CG 4.37Å; L405-R411 PolarHBondContact O-N 3.06Å
406H80.1Confident74.8Confident130 Ų13090.8 Ų90.860%0.60252%0.515SS*.Hα-helixtrans-80-48.7170.4-174.747.9000110.9G402 S403 L404 A408 G409 R411G402-H406 PolarHBondContact O-N 3.18Å; S403-H406 WeakPolarHBondContact O-CA 3.49Å; S403-H406 WeakPolarHBondContact O-CB 3.33Å; S403-H406 PolarHBondContact O-N 3.36Å; L404-H406 PolarHBondContact O-N 3.35Å; H406-A408 VanDerWaalsContact C-N 3.3Å; H406-A408 PolarHBondContact O-N 3.03Å; H406-G409 WeakPolarHBondContact O-CA 3.45Å; H406-G409 PolarHBondContact O-N 3.42Å; H406-R411 HydrophobicContact CB-CG 4.42Å
407L83.1Confident73.9Confident153 Ų15389.9 Ų89.980%0.80151%0.514SS*.Hα-helixtrans-61.3-36.6178.5-17463.4000112.3S403 L404 G409S403-L407 PolarHBondContact O-N 2.81Å; L404-L407 PolarHBondContact O-N 3.1Å; L407-G409 PolarHBondContact O-N 3.28Å
408A74.8Confident72.7Confident65 Ų6588.4 Ų88.454%0.53751%0.506SS..THydrogen-bonded Turntrans-74.21.4172.400000114.4L404 H406 I410L404-A408 WeakPolarHBondContact O-CB 3.36Å; L404-A408 PolarHBondContact O-N 3.03Å; H406-A408 VanDerWaalsContact C-N 3.3Å; H406-A408 PolarHBondContact O-N 3.03Å; A408-I410 HydrophobicContact CB-CD1 3.88Å; A408-I410 HydrophobicContact CB-CG1 4.05Å; A408-I410 PolarHBondContact O-N 2.91Å; A408-I410 VanDerWaalsContact O-N 3.1Å
409G77.4Confident71.7Confident36 Ų3686 Ų8637%0.37150%0.504SS..SBendtrans74.6-11.5-178.800000116H406 L407 R411 T412H406-G409 WeakPolarHBondContact O-CA 3.45Å; H406-G409 PolarHBondContact O-N 3.42Å; L407-G409 PolarHBondContact O-N 3.28Å; G409-R411 VanDerWaalsContact C-N 3.3Å; G409-R411 PolarHBondContact O-N 3.38Å; G409-T412 PolarHBondContact O-N 2.89Å; G409-T412 PolarHBondContact O-OG1 3.28Å
410I71.8Confident70.5Confident83 Ų8383.4 Ų83.443%0.42650%0.499SS..Hα-helixtrans-62-30.7-169-62170.7000113.1L405 A408 T412 C413 L414L405-I410 HydrophobicContact CD2-CB 4.24Å; L405-I410 HydrophobicContact CD2-CD1 3.97Å; L405-I410 HydrophobicContact CD2-CG2 4.2Å; L405-I410 PolarHBondContact O-N 3.3Å; A408-I410 HydrophobicContact CB-CD1 3.88Å; A408-I410 HydrophobicContact CB-CG1 4.05Å; A408-I410 PolarHBondContact O-N 2.91Å; A408-I410 VanDerWaalsContact O-N 3.1Å; I410-T412 PolarHBondContact O-N 3.2Å; I410-T412 VanDerWaalsContact O-N 3.13Å; I410-C413 PolarHBondContact O-N 3.37Å; I410-C413 VanDerWaalsContact O-N 3.16Å; I410-L414 PolarHBondContact O-N 3.16Å
411R62.1Low69Low146 Ų14683.7 Ų83.755%0.55150%0.5SS*.Hα-helixtrans-53.7-33.1178.4-85.4-164.8179.9-130.26.8114.2G402 L405 H406 G409G402-R411 VanDerWaalsContact CA-NH2 3.34Å; G402-R411 PolarHBondContact O-NE 2.94Å; G402-R411 PolarHBondContact O-NH2 3.13Å; G402-R411 VanDerWaalsContact O-NH2 3.1Å; L405-R411 HydrophobicContact CB-CG 4.37Å; L405-R411 PolarHBondContact O-N 3.06Å; H406-R411 HydrophobicContact CB-CG 4.42Å; G409-R411 VanDerWaalsContact C-N 3.3Å; G409-R411 PolarHBondContact O-N 3.38Å
412T58.6Low67.8Low103 Ų10388.4 Ų88.463%0.63251%0.513SS*.Hα-helixtrans-70.4-41.4-179.360.70000112G409 I410 L414 G415 S416G409-T412 PolarHBondContact O-N 2.89Å; G409-T412 PolarHBondContact O-OG1 3.28Å; I410-T412 PolarHBondContact O-N 3.2Å; I410-T412 VanDerWaalsContact O-N 3.13Å; T412-L414 VanDerWaalsContact C-N 3.35Å; T412-L414 PolarHBondContact O-N 3.45Å; T412-G415 PolarHBondContact O-N 3.44Å; T412-S416 PolarHBondContact O-N 3.05Å
413C53.5Low66.5Low74 Ų7492 Ų9250%0.553%0.533SS..Hα-helixtrans-62.3-40.1178.6-58.80000112.3I410 G415 S416 L417I410-C413 PolarHBondContact O-N 3.37Å; I410-C413 VanDerWaalsContact O-N 3.16Å; C413-G415 PolarHBondContact O-N 3.32Å; C413-S416 PolarHBondContact O-N 3.47Å; C413-L417 WeakPolarHBondContact O-CD1 3.46Å; C413-L417 PolarHBondContact O-N 3.47Å
414L58.5Low65Low106 Ų10695.9 Ų95.956%0.55554%0.544SS*.Hα-helixtrans-64.8-39.9-177.5-145.482.5000112.2I410 T412 L417 I418I410-L414 PolarHBondContact O-N 3.16Å; T412-L414 VanDerWaalsContact C-N 3.35Å; T412-L414 PolarHBondContact O-N 3.45Å; L414-L417 PolarHBondContact O-N 3.04Å; L414-I418 HydrophobicContact CD2-CD1 4.3Å; L414-I418 HydrophobicContact CG-CD1 4.24Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.29Å; L414-I418 PolarHBondContact O-N 3.41Å
415G59.2Low63.5Low45 Ų4594.7 Ų94.746%0.46454%0.538SS..Hα-helixtrans-61-44.2175.800000112.5T412 C413 I418 S419T412-G415 PolarHBondContact O-N 3.44Å; C413-G415 PolarHBondContact O-N 3.32Å; G415-I418 PolarHBondContact O-N 3.03Å; G415-S419 WeakPolarHBondContact O-CB 3.46Å; G415-S419 PolarHBondContact O-N 3.47Å
416S57.1Low62.1Low77 Ų7797.5 Ų97.554%0.53855%0.549SS..Hα-helixtrans-63.8-44.5176.3-69.70000112.8T412 C413 I418 S419 T420T412-S416 PolarHBondContact O-N 3.05Å; C413-S416 PolarHBondContact O-N 3.47Å; S416-I418 PolarHBondContact O-N 3.47Å; S416-S419 WeakPolarHBondContact O-CB 3.32Å; S416-S419 PolarHBondContact O-N 3.44Å; S416-T420 PolarHBondContact O-N 3.38Å; S416-T420 PolarHBondContact O-OG1 3.03Å
417L58.9Low60.8Low118 Ų11899.5 Ų99.562%0.61856%0.556SS**Hα-helixtrans-62.1-41.3176.4-99.378.8000112.7C413 L414 S419 T420 A421C413-L417 WeakPolarHBondContact O-CD1 3.46Å; C413-L417 PolarHBondContact O-N 3.47Å; L414-L417 PolarHBondContact O-N 3.04Å; L417-S419 VanDerWaalsContact C-N 3.3Å; L417-S419 PolarHBondContact O-N 3.31Å; L417-T420 PolarHBondContact O-OG1 3.09Å; L417-T420 VanDerWaalsContact O-OG1 3.09Å; L417-A421 VanDerWaalsContact O-CB 3.31Å; L417-A421 WeakPolarHBondContact O-CB 3.5Å; L417-A421 PolarHBondContact O-N 3.27Å
418I60.1Low59.4Low84 Ų8499.8 Ų99.843%0.43155%0.553SS.*Hα-helixtrans-68.6-33.3179.1-67.6166.4000110.8L414 G415 S416 K422L414-I418 HydrophobicContact CD2-CD1 4.3Å; L414-I418 HydrophobicContact CG-CD1 4.24Å; L414-I418 VanDerWaalsContact O-CG1 3.29Å; L414-I418 WeakPolarHBondContact O-CG1 3.29Å; L414-I418 PolarHBondContact O-N 3.41Å; G415-I418 PolarHBondContact O-N 3.03Å; S416-I418 PolarHBondContact O-N 3.47Å; I418-K422 HydrophobicContact CG2-CD 4.24Å; I418-K422 WeakPolarHBondContact O-CG 3.31Å; I418-K422 PolarHBondContact O-N 2.82Å; I418-K422 VanDerWaalsContact O-N 3.16Å
419S57.6Low58.5Low71 Ų71106.9 Ų106.950%0.49757%0.566SS.*Hα-helixtrans-66.8-48.5174.8-168.50000112.5G415 S416 L417 A421 K422 T423G415-S419 WeakPolarHBondContact O-CB 3.46Å; G415-S419 PolarHBondContact O-N 3.47Å; S416-S419 WeakPolarHBondContact O-CB 3.32Å; S416-S419 PolarHBondContact O-N 3.44Å; L417-S419 VanDerWaalsContact C-N 3.3Å; L417-S419 PolarHBondContact O-N 3.31Å; S419-A421 PolarHBondContact O-N 3.16Å; S419-K422 PolarHBondContact O-N 3.03Å; S419-T423 PolarHBondContact O-N 3.48Å; S419-T423 PolarHBondContact O-OG1 2.96Å
420T57.5Low57.4Low89 Ų89113.8 Ų113.855%0.54659%0.586SS.*Hα-helixtrans-65.8-39.3179.355.20000112.1S416 L417 T423 Q424S416-T420 PolarHBondContact O-N 3.38Å; S416-T420 PolarHBondContact O-OG1 3.03Å; L417-T420 PolarHBondContact O-OG1 3.09Å; L417-T420 VanDerWaalsContact O-OG1 3.09Å; T420-T423 PolarHBondContact O-N 3.05Å; T420-Q424 PolarHBondContact O-N 3.1Å
421A56.8Low56.1Low54 Ų54122.3 Ų122.345%0.44662%0.62SS.*Hα-helixtrans-61.3-44.7175.300000112.8L417 S419 T423 Q424 N425L417-A421 VanDerWaalsContact O-CB 3.31Å; L417-A421 WeakPolarHBondContact O-CB 3.5Å; L417-A421 PolarHBondContact O-N 3.27Å; S419-A421 PolarHBondContact O-N 3.16Å; A421-T423 VanDerWaalsContact C-N 3.34Å; A421-T423 PolarHBondContact O-N 3.34Å; A421-Q424 PolarHBondContact O-N 3.44Å; A421-N425 PolarHBondContact O-N 3.04Å; A421-N425 VanDerWaalsContact O-N 3.1Å
422K57.3Low55.8Low145 Ų145121.2 Ų121.263%0.6362%0.623SS**Hα-helixtrans-62.3-41.4174.7-75.4174.6179.8179.10111.7I418 S419 N425 Q426I418-K422 HydrophobicContact CG2-CD 4.24Å; I418-K422 WeakPolarHBondContact O-CG 3.31Å; I418-K422 PolarHBondContact O-N 2.82Å; I418-K422 VanDerWaalsContact O-N 3.16Å; S419-K422 PolarHBondContact O-N 3.03Å; K422-N425 PolarHBondContact O-N 3.48Å; K422-Q426 PolarHBondContact O-N 3.26Å
423T56.8Low55.6Low86 Ų86122.1 Ų122.153%0.52862%0.623SS.*Hα-helixtrans-64.5-39.7178.6-52.30000112.2S419 T420 A421 K427S419-T423 PolarHBondContact O-N 3.48Å; S419-T423 PolarHBondContact O-OG1 2.96Å; T420-T423 PolarHBondContact O-N 3.05Å; A421-T423 VanDerWaalsContact C-N 3.34Å; A421-T423 PolarHBondContact O-N 3.34Å; T423-K427 PolarHBondContact O-N 3.4Å
424Q56.1Low55.7Low148 Ų148124.8 Ų124.869%0.69263%0.629SS**Hα-helixtrans-64.6-46.4173.3-82-172.3-25.300112.3T420 A421 Q426 K427 Q428T420-Q424 PolarHBondContact O-N 3.1Å; A421-Q424 PolarHBondContact O-N 3.44Å; Q424-Q426 PolarHBondContact O-N 3.34Å; Q424-K427 WeakPolarHBondContact O-CB 3.45Å; Q424-K427 PolarHBondContact O-N 3.22Å; Q424-K427 VanDerWaalsContact O-N 3.08Å; Q424-Q428 PolarHBondContact O-N 3.29Å
425N53.1Low55.6Low92 Ų92125.9 Ų125.949%0.49263%0.634SS.*Hα-helixtrans-64.5-40.2-176.5-157.5-87.9000112A421 K422 K427 Q428 R429A421-N425 PolarHBondContact O-N 3.04Å; A421-N425 VanDerWaalsContact O-N 3.1Å; K422-N425 PolarHBondContact O-N 3.48Å; N425-K427 PolarHBondContact O-N 3.36Å; N425-Q428 PolarHBondContact O-N 3.22Å; N425-R429 PolarHBondContact O-N 3.08Å
426Q54Low55.4Low143 Ų143130.9 Ų130.967%0.66864%0.644SS**Hα-helixtrans-65.4-25.1175.1-160.8175.425.900113K422 Q424K422-Q426 PolarHBondContact O-N 3.26Å; Q424-Q426 PolarHBondContact O-N 3.34Å
427K53.4Low55.2Low172 Ų172134.5 Ų134.575%0.74865%0.651SS**Hα-helixtrans-81-21.9177.1-147.8169.9-171.3175.70113.4T423 Q424 N425T423-K427 PolarHBondContact O-N 3.4Å; Q424-K427 WeakPolarHBondContact O-CB 3.45Å; Q424-K427 PolarHBondContact O-N 3.22Å; Q424-K427 VanDerWaalsContact O-N 3.08Å; N425-K427 PolarHBondContact O-N 3.36Å
428Q53.9Low55Low159 Ų159135.7 Ų135.774%0.74365%0.654SS**Hα-helixtrans-81-23.8170.8-74.1-173.4-17.500113.2Q424 N425 K430Q424-Q428 PolarHBondContact O-N 3.29Å; N425-Q428 PolarHBondContact O-N 3.22Å; Q428-K430 VanDerWaalsContact C-N 3.27Å; Q428-K430 PolarHBondContact O-N 3.36Å
429R54.4Low54.6Low213 Ų213139.7 Ų139.780%0.80467%0.671SS**THydrogen-bonded Turntrans-85.317.3176.2-76.6-177.2161.9-172.1-5.1114.8N425N425-R429 PolarHBondContact O-N 3.08Å
430K54.2Low54.3Low182 Ų182145.4 Ų145.479%0.79169%0.686SS**THydrogen-bonded Turntrans-138.939.5177.7-76.3-164.9170.6-171.50112.5Q428Q428-K430 VanDerWaalsContact C-N 3.27Å; Q428-K430 PolarHBondContact O-N 3.36Å
431K44.8Very low54.1Low262 Ų262150.5 Ų150.5100%1.13970%0.698SS**  trans-135.80165.6-89.2-162168.6-166.20109

Retrieved 431 of 431 residues in 55.1 ms (Link to these results)